----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-07 23:59:33]------------------------- 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: [2 1 1] Primitive matrix: [0. 0.5 0.5] [0.5 0. 0.5] [0.5 0.5 0. ] Spacegroup: Fddd (70) Number of symmetry operations in supercell: 64 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 0.000000000000000 6.734395020000000 11.838986980000001 b 2.761676415000000 0.000000000000000 11.838986980000001 c 2.761676415000000 6.734395020000000 0.000000000000000 Atomic positions (fractional): *1 S 0.45263217575669 0.15619419074921 0.85309526045801 32.065 2 S 0.53807837303609 0.85309526045801 0.15619419074921 32.065 3 S 0.71192162696391 0.39690473954199 0.09380580925079 32.065 4 S 0.79736782424331 0.09380580925079 0.39690473954199 32.065 5 S 0.09380580925079 0.79736782424331 0.71192162696391 32.065 6 S 0.39690473954199 0.71192162696391 0.79736782424331 32.065 7 S 0.85309526045802 0.53807837303609 0.45263217575669 32.065 8 S 0.15619419074921 0.45263217575669 0.53807837303609 32.065 *9 Cu 0.50000000000000 0.50000000000000 0.50000000000000 63.546 10 Cu 0.75000000000000 0.75000000000000 0.75000000000000 63.546 *11 Rb 0.17821938193859 0.17821938193859 0.82178061806141 85.468 12 Rb 0.82178061806141 0.82178061806141 0.17821938193859 85.468 13 Rb 0.07178061806141 0.07178061806141 0.42821938193859 85.468 14 Rb 0.42821938193859 0.42821938193859 0.07178061806141 85.468 *15 Ta 0.00000000000000 0.00000000000000 0.00000000000000 180.948 16 Ta 0.25000000000000 0.25000000000000 0.25000000000000 180.948 -------------------------------- unit cell --------------------------------- Lattice vectors: a 5.523352830000000 0.000000000000000 0.000000000000000 b 0.000000000000000 13.468790040000000 0.000000000000000 c 0.000000000000000 0.000000000000000 23.677973960000003 Atomic positions (fractional): *1 S 0.00464472560361 0.65286371810735 0.80441318325295 32.065 > 1 2 S 0.00464472560361 0.84713628189265 0.69558681674705 32.065 > 2 3 S 0.74535527439639 0.90286371810735 0.55441318325295 32.065 > 3 4 S 0.74535527439639 0.59713628189265 0.94558681674705 32.065 > 4 5 S 0.75464472560361 0.90286371810735 0.94558681674705 32.065 > 5 6 S 0.75464472560361 0.59713628189265 0.55441318325295 32.065 > 6 7 S 0.49535527439639 0.65286371810735 0.69558681674705 32.065 > 7 8 S 0.49535527439639 0.84713628189265 0.80441318325295 32.065 > 8 9 S 0.00464472560361 0.15286371810735 0.30441318325295 32.065 > 1 10 S 0.00464472560361 0.34713628189265 0.19558681674705 32.065 > 2 11 S 0.74535527439639 0.40286371810735 0.05441318325295 32.065 > 3 12 S 0.74535527439639 0.09713628189265 0.44558681674705 32.065 > 4 13 S 0.75464472560361 0.40286371810735 0.44558681674705 32.065 > 5 14 S 0.75464472560361 0.09713628189265 0.05441318325295 32.065 > 6 15 S 0.49535527439639 0.15286371810735 0.19558681674705 32.065 > 7 16 S 0.49535527439639 0.34713628189265 0.30441318325295 32.065 > 8 17 S 0.50464472560361 0.65286371810735 0.30441318325295 32.065 > 1 18 S 0.50464472560361 0.84713628189265 0.19558681674705 32.065 > 2 19 S 0.24535527439639 0.90286371810735 0.05441318325295 32.065 > 3 20 S 0.24535527439639 0.59713628189265 0.44558681674705 32.065 > 4 21 S 0.25464472560361 0.90286371810735 0.44558681674705 32.065 > 5 22 S 0.25464472560361 0.59713628189265 0.05441318325295 32.065 > 6 23 S 0.99535527439639 0.65286371810735 0.19558681674705 32.065 > 7 24 S 0.99535527439639 0.84713628189265 0.30441318325295 32.065 > 8 25 S 0.50464472560361 0.15286371810735 0.80441318325295 32.065 > 1 26 S 0.50464472560361 0.34713628189265 0.69558681674705 32.065 > 2 27 S 0.24535527439639 0.40286371810735 0.55441318325295 32.065 > 3 28 S 0.24535527439639 0.09713628189265 0.94558681674705 32.065 > 4 29 S 0.25464472560361 0.40286371810735 0.94558681674705 32.065 > 5 30 S 0.25464472560361 0.09713628189265 0.55441318325295 32.065 > 6 31 S 0.99535527439639 0.15286371810735 0.69558681674705 32.065 > 7 32 S 0.99535527439639 0.34713628189265 0.80441318325295 32.065 > 8 *33 Cu 0.50000000000000 0.00000000000000 0.00000000000000 63.546 > 9 34 Cu 0.75000000000000 0.75000000000000 0.75000000000000 63.546 > 10 35 Cu 0.50000000000000 0.50000000000000 0.50000000000000 63.546 > 9 36 Cu 0.75000000000000 0.25000000000000 0.25000000000000 63.546 > 10 37 Cu 0.00000000000000 0.00000000000000 0.50000000000000 63.546 > 9 38 Cu 0.25000000000000 0.75000000000000 0.25000000000000 63.546 > 10 39 Cu 0.00000000000000 0.50000000000000 0.00000000000000 63.546 > 9 40 Cu 0.25000000000000 0.25000000000000 0.75000000000000 63.546 > 10 *41 Rb 0.50000000000000 0.00000000000000 0.67821938193859 85.468 > 11 42 Rb 0.00000000000000 0.00000000000000 0.82178061806141 85.468 > 12 43 Rb 0.25000000000000 0.75000000000000 0.57178061806141 85.468 > 13 44 Rb 0.25000000000000 0.75000000000000 0.92821938193859 85.468 > 14 45 Rb 0.50000000000000 0.50000000000000 0.17821938193859 85.468 > 11 46 Rb 0.00000000000000 0.50000000000000 0.32178061806141 85.468 > 12 47 Rb 0.25000000000000 0.25000000000000 0.07178061806141 85.468 > 13 48 Rb 0.25000000000000 0.25000000000000 0.42821938193859 85.468 > 14 49 Rb 0.00000000000000 0.00000000000000 0.17821938193859 85.468 > 11 50 Rb 0.50000000000000 0.00000000000000 0.32178061806141 85.468 > 12 51 Rb 0.75000000000000 0.75000000000000 0.07178061806141 85.468 > 13 52 Rb 0.75000000000000 0.75000000000000 0.42821938193859 85.468 > 14 53 Rb 0.00000000000000 0.50000000000000 0.67821938193859 85.468 > 11 54 Rb 0.50000000000000 0.50000000000000 0.82178061806141 85.468 > 12 55 Rb 0.75000000000000 0.25000000000000 0.57178061806141 85.468 > 13 56 Rb 0.75000000000000 0.25000000000000 0.92821938193859 85.468 > 14 *57 Ta 0.00000000000000 0.00000000000000 0.00000000000000 180.948 > 15 58 Ta 0.25000000000000 0.75000000000000 0.75000000000000 180.948 > 16 59 Ta 0.00000000000000 0.50000000000000 0.50000000000000 180.948 > 15 60 Ta 0.25000000000000 0.25000000000000 0.25000000000000 180.948 > 16 61 Ta 0.50000000000000 0.00000000000000 0.50000000000000 180.948 > 15 62 Ta 0.75000000000000 0.75000000000000 0.25000000000000 180.948 > 16 63 Ta 0.50000000000000 0.50000000000000 0.00000000000000 180.948 > 15 64 Ta 0.75000000000000 0.25000000000000 0.75000000000000 180.948 > 16 -------------------------------- super cell -------------------------------- Lattice vectors: a 11.046705660000001 0.000000000000000 0.000000000000000 b 0.000000000000000 13.468790040000000 0.000000000000000 c 0.000000000000000 0.000000000000000 23.677973960000003 Atomic positions (fractional): *1 S 0.00232236280181 0.65286371810735 0.80441318325295 32.065 > 1 2 S 0.50232236280181 0.65286371810735 0.80441318325295 32.065 > 1 3 S 0.00232236280181 0.84713628189265 0.69558681674705 32.065 > 2 4 S 0.50232236280181 0.84713628189265 0.69558681674705 32.065 > 2 5 S 0.37267763719819 0.90286371810735 0.55441318325295 32.065 > 3 6 S 0.87267763719819 0.90286371810735 0.55441318325295 32.065 > 3 7 S 0.37267763719819 0.59713628189265 0.94558681674705 32.065 > 4 8 S 0.87267763719819 0.59713628189265 0.94558681674705 32.065 > 4 9 S 0.37732236280181 0.90286371810735 0.94558681674705 32.065 > 5 10 S 0.87732236280181 0.90286371810735 0.94558681674705 32.065 > 5 11 S 0.37732236280181 0.59713628189265 0.55441318325295 32.065 > 6 12 S 0.87732236280181 0.59713628189265 0.55441318325295 32.065 > 6 13 S 0.24767763719819 0.65286371810735 0.69558681674705 32.065 > 7 14 S 0.74767763719819 0.65286371810735 0.69558681674705 32.065 > 7 15 S 0.24767763719819 0.84713628189265 0.80441318325295 32.065 > 8 16 S 0.74767763719819 0.84713628189265 0.80441318325295 32.065 > 8 17 S 0.00232236280181 0.15286371810735 0.30441318325295 32.065 > 1 18 S 0.50232236280181 0.15286371810735 0.30441318325295 32.065 > 1 19 S 0.00232236280181 0.34713628189265 0.19558681674705 32.065 > 2 20 S 0.50232236280181 0.34713628189265 0.19558681674705 32.065 > 2 21 S 0.37267763719819 0.40286371810735 0.05441318325295 32.065 > 3 22 S 0.87267763719819 0.40286371810735 0.05441318325295 32.065 > 3 23 S 0.37267763719819 0.09713628189265 0.44558681674705 32.065 > 4 24 S 0.87267763719819 0.09713628189265 0.44558681674705 32.065 > 4 25 S 0.37732236280181 0.40286371810735 0.44558681674705 32.065 > 5 26 S 0.87732236280181 0.40286371810735 0.44558681674705 32.065 > 5 27 S 0.37732236280181 0.09713628189265 0.05441318325295 32.065 > 6 28 S 0.87732236280181 0.09713628189265 0.05441318325295 32.065 > 6 29 S 0.24767763719819 0.15286371810735 0.19558681674705 32.065 > 7 30 S 0.74767763719819 0.15286371810735 0.19558681674705 32.065 > 7 31 S 0.24767763719819 0.34713628189265 0.30441318325295 32.065 > 8 32 S 0.74767763719819 0.34713628189265 0.30441318325295 32.065 > 8 33 S 0.25232236280181 0.65286371810735 0.30441318325295 32.065 > 1 34 S 0.75232236280181 0.65286371810735 0.30441318325295 32.065 > 1 35 S 0.25232236280181 0.84713628189265 0.19558681674705 32.065 > 2 36 S 0.75232236280181 0.84713628189265 0.19558681674705 32.065 > 2 37 S 0.12267763719819 0.90286371810735 0.05441318325295 32.065 > 3 38 S 0.62267763719819 0.90286371810735 0.05441318325295 32.065 > 3 39 S 0.12267763719819 0.59713628189265 0.44558681674705 32.065 > 4 40 S 0.62267763719819 0.59713628189265 0.44558681674705 32.065 > 4 41 S 0.12732236280181 0.90286371810735 0.44558681674705 32.065 > 5 42 S 0.62732236280181 0.90286371810735 0.44558681674705 32.065 > 5 43 S 0.12732236280181 0.59713628189265 0.05441318325295 32.065 > 6 44 S 0.62732236280181 0.59713628189265 0.05441318325295 32.065 > 6 45 S 0.49767763719819 0.65286371810735 0.19558681674705 32.065 > 7 46 S 0.99767763719819 0.65286371810735 0.19558681674705 32.065 > 7 47 S 0.49767763719819 0.84713628189265 0.30441318325295 32.065 > 8 48 S 0.99767763719819 0.84713628189265 0.30441318325295 32.065 > 8 49 S 0.25232236280181 0.15286371810735 0.80441318325295 32.065 > 1 50 S 0.75232236280181 0.15286371810735 0.80441318325295 32.065 > 1 51 S 0.25232236280181 0.34713628189265 0.69558681674705 32.065 > 2 52 S 0.75232236280181 0.34713628189265 0.69558681674705 32.065 > 2 53 S 0.12267763719819 0.40286371810735 0.55441318325295 32.065 > 3 54 S 0.62267763719819 0.40286371810735 0.55441318325295 32.065 > 3 55 S 0.12267763719819 0.09713628189265 0.94558681674705 32.065 > 4 56 S 0.62267763719819 0.09713628189265 0.94558681674705 32.065 > 4 57 S 0.12732236280181 0.40286371810735 0.94558681674705 32.065 > 5 58 S 0.62732236280181 0.40286371810735 0.94558681674705 32.065 > 5 59 S 0.12732236280181 0.09713628189265 0.55441318325295 32.065 > 6 60 S 0.62732236280181 0.09713628189265 0.55441318325295 32.065 > 6 61 S 0.49767763719819 0.15286371810735 0.69558681674705 32.065 > 7 62 S 0.99767763719819 0.15286371810735 0.69558681674705 32.065 > 7 63 S 0.49767763719819 0.34713628189265 0.80441318325295 32.065 > 8 64 S 0.99767763719819 0.34713628189265 0.80441318325295 32.065 > 8 *65 Cu 0.25000000000000 0.00000000000000 0.00000000000000 63.546 > 9 66 Cu 0.75000000000000 0.00000000000000 0.00000000000000 63.546 > 9 67 Cu 0.37500000000000 0.75000000000000 0.75000000000000 63.546 > 10 68 Cu 0.87500000000000 0.75000000000000 0.75000000000000 63.546 > 10 69 Cu 0.25000000000000 0.50000000000000 0.50000000000000 63.546 > 9 70 Cu 0.75000000000000 0.50000000000000 0.50000000000000 63.546 > 9 71 Cu 0.37500000000000 0.25000000000000 0.25000000000000 63.546 > 10 72 Cu 0.87500000000000 0.25000000000000 0.25000000000000 63.546 > 10 73 Cu 0.00000000000000 0.00000000000000 0.50000000000000 63.546 > 9 74 Cu 0.50000000000000 0.00000000000000 0.50000000000000 63.546 > 9 75 Cu 0.12500000000000 0.75000000000000 0.25000000000000 63.546 > 10 76 Cu 0.62500000000000 0.75000000000000 0.25000000000000 63.546 > 10 77 Cu 0.00000000000000 0.50000000000000 0.00000000000000 63.546 > 9 78 Cu 0.50000000000000 0.50000000000000 0.00000000000000 63.546 > 9 79 Cu 0.12500000000000 0.25000000000000 0.75000000000000 63.546 > 10 80 Cu 0.62500000000000 0.25000000000000 0.75000000000000 63.546 > 10 *81 Rb 0.25000000000000 0.00000000000000 0.67821938193859 85.468 > 11 82 Rb 0.75000000000000 0.00000000000000 0.67821938193859 85.468 > 11 83 Rb 0.00000000000000 0.00000000000000 0.82178061806141 85.468 > 12 84 Rb 0.50000000000000 0.00000000000000 0.82178061806141 85.468 > 12 85 Rb 0.12500000000000 0.75000000000000 0.57178061806141 85.468 > 13 86 Rb 0.62500000000000 0.75000000000000 0.57178061806141 85.468 > 13 87 Rb 0.12500000000000 0.75000000000000 0.92821938193859 85.468 > 14 88 Rb 0.62500000000000 0.75000000000000 0.92821938193859 85.468 > 14 89 Rb 0.25000000000000 0.50000000000000 0.17821938193859 85.468 > 11 90 Rb 0.75000000000000 0.50000000000000 0.17821938193859 85.468 > 11 91 Rb 0.00000000000000 0.50000000000000 0.32178061806141 85.468 > 12 92 Rb 0.50000000000000 0.50000000000000 0.32178061806141 85.468 > 12 93 Rb 0.12500000000000 0.25000000000000 0.07178061806141 85.468 > 13 94 Rb 0.62500000000000 0.25000000000000 0.07178061806141 85.468 > 13 95 Rb 0.12500000000000 0.25000000000000 0.42821938193859 85.468 > 14 96 Rb 0.62500000000000 0.25000000000000 0.42821938193859 85.468 > 14 97 Rb 0.00000000000000 0.00000000000000 0.17821938193859 85.468 > 11 98 Rb 0.50000000000000 0.00000000000000 0.17821938193859 85.468 > 11 99 Rb 0.25000000000000 0.00000000000000 0.32178061806141 85.468 > 12 100 Rb 0.75000000000000 0.00000000000000 0.32178061806141 85.468 > 12 101 Rb 0.37500000000000 0.75000000000000 0.07178061806141 85.468 > 13 102 Rb 0.87500000000000 0.75000000000000 0.07178061806141 85.468 > 13 103 Rb 0.37500000000000 0.75000000000000 0.42821938193859 85.468 > 14 104 Rb 0.87500000000000 0.75000000000000 0.42821938193859 85.468 > 14 105 Rb 0.00000000000000 0.50000000000000 0.67821938193859 85.468 > 11 106 Rb 0.50000000000000 0.50000000000000 0.67821938193859 85.468 > 11 107 Rb 0.25000000000000 0.50000000000000 0.82178061806141 85.468 > 12 108 Rb 0.75000000000000 0.50000000000000 0.82178061806141 85.468 > 12 109 Rb 0.37500000000000 0.25000000000000 0.57178061806141 85.468 > 13 110 Rb 0.87500000000000 0.25000000000000 0.57178061806141 85.468 > 13 111 Rb 0.37500000000000 0.25000000000000 0.92821938193859 85.468 > 14 112 Rb 0.87500000000000 0.25000000000000 0.92821938193859 85.468 > 14 *113 Ta 0.00000000000000 0.00000000000000 0.00000000000000 180.948 > 15 114 Ta 0.50000000000000 0.00000000000000 0.00000000000000 180.948 > 15 115 Ta 0.12500000000000 0.75000000000000 0.75000000000000 180.948 > 16 116 Ta 0.62500000000000 0.75000000000000 0.75000000000000 180.948 > 16 117 Ta 0.00000000000000 0.50000000000000 0.50000000000000 180.948 > 15 118 Ta 0.50000000000000 0.50000000000000 0.50000000000000 180.948 > 15 119 Ta 0.12500000000000 0.25000000000000 0.25000000000000 180.948 > 16 120 Ta 0.62500000000000 0.25000000000000 0.25000000000000 180.948 > 16 121 Ta 0.25000000000000 0.00000000000000 0.50000000000000 180.948 > 15 122 Ta 0.75000000000000 0.00000000000000 0.50000000000000 180.948 > 15 123 Ta 0.37500000000000 0.75000000000000 0.25000000000000 180.948 > 16 124 Ta 0.87500000000000 0.75000000000000 0.25000000000000 180.948 > 16 125 Ta 0.25000000000000 0.50000000000000 0.00000000000000 180.948 > 15 126 Ta 0.75000000000000 0.50000000000000 0.00000000000000 180.948 > 15 127 Ta 0.37500000000000 0.25000000000000 0.75000000000000 180.948 > 16 128 Ta 0.87500000000000 0.25000000000000 0.75000000000000 180.948 > 16 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 5.2835862 0.0000000 0.0000000 0.0000000 3.9193376 0.0000000 0.0000000 0.0000000 3.6713802 -------------------------- Born effective charges -------------------------- 1 S -1.5181738 -0.8510403 0.7151594 -0.3906177 -1.1546631 0.6502951 0.2392420 0.5335961 -0.9994617 2 S -1.5181738 0.8510403 -0.7151594 0.3906177 -1.1546631 0.6502951 -0.2392420 0.5335961 -0.9994617 3 S -1.5181738 0.8510403 -0.7151594 0.3906177 -1.1546631 0.6502951 -0.2392420 0.5335961 -0.9994617 4 S -1.5181738 -0.8510403 0.7151594 -0.3906177 -1.1546631 0.6502951 0.2392420 0.5335961 -0.9994617 5 S -1.5181738 -0.8510403 -0.7151594 -0.3906177 -1.1546631 -0.6502951 -0.2392420 -0.5335961 -0.9994617 6 S -1.5181738 0.8510403 0.7151594 0.3906177 -1.1546631 -0.6502951 0.2392420 -0.5335961 -0.9994617 7 S -1.5181738 0.8510403 0.7151594 0.3906177 -1.1546631 -0.6502951 0.2392420 -0.5335961 -0.9994617 8 S -1.5181738 -0.8510403 -0.7151594 -0.3906177 -1.1546631 -0.6502951 -0.2392420 -0.5335961 -0.9994617 9 Cu -0.1668120 0.0000000 0.0000000 0.0000000 0.3465846 -0.0000000 0.0000000 0.0000000 0.3458980 10 Cu -0.1668120 0.0000000 0.0000000 0.0000000 0.3465846 -0.0000000 0.0000000 0.0000000 0.3458980 11 Rb 1.2196451 -0.0420950 0.0000000 -0.0023329 1.3953714 -0.0000000 0.0000000 0.0000000 1.3107403 12 Rb 1.2196451 0.0420950 0.0000000 0.0023329 1.3953714 -0.0000000 0.0000000 0.0000000 1.3107403 13 Rb 1.2196451 -0.0420950 0.0000000 -0.0023329 1.3953714 -0.0000000 0.0000000 0.0000000 1.3107403 14 Rb 1.2196451 0.0420950 0.0000000 0.0023329 1.3953714 -0.0000000 0.0000000 0.0000000 1.3107403 15 Ta 3.8002173 0.0000000 0.0000000 0.0000000 1.4813251 -0.0000000 0.0000000 0.0000000 1.0304684 16 Ta 3.8002173 0.0000000 0.0000000 0.0000000 1.4813251 -0.0000000 0.0000000 0.0000000 1.0304684 ---------------------------------------------------------------------------- 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: 11640/11640 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 1262 Number of blocks in projector: 1262 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: 260 Use standard eigh solver. --- Eigsh_solver_block: 2 / 6 --- Block_size: 244 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 236 Use standard eigh solver. --- Eigsh_solver_block: 4 / 6 --- Block_size: 174 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 174 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 174 Use standard eigh solver. Tree of FC basis block matrices: - (1262, 1242), data: False |-- (174, 170), data: True |-- (174, 170), data: True |-- (174, 170), data: True |-- (236, 234), data: True |-- (244, 242), data: True |-- (260, 256), data: True ----- Solver_atoms: 1 -- 128 / 128 Time (Solver_compr_matrix_reshape): 0.008 Solver_block: 100 / 240 - Time: 1.791 Solver_block: 200 / 240 - Time: 1.735 Solver_block: 240 / 240 - Time: 0.781 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 4.454 --------------------------------- Symfc end -------------------------------- Max drift of force constants: -0.00000000 (yy) -0.00000000 (yy) Permutation basis: 384/384 Permutation basis: 11640/11640 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 1262 Number of blocks in projector: 1262 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: 260 Use standard eigh solver. --- Eigsh_solver_block: 2 / 6 --- Block_size: 244 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 236 Use standard eigh solver. --- Eigsh_solver_block: 4 / 6 --- Block_size: 174 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 174 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 174 Use standard eigh solver. Tree of FC basis block matrices: - (1262, 1242), data: False |-- (174, 170), data: True |-- (174, 170), data: True |-- (174, 170), data: True |-- (236, 234), data: True |-- (244, 242), data: True |-- (260, 256), data: True Max drift after symmetrization by symfc projector: -0.00000000 (yy) -0.00000000 (yy) Force constants are written into "force_constants.hdf5". ---------------------------------------------------------------------------- One of the following run modes may be specified for phonon calculations. - Mesh sampling (MESH, --mesh) - Q-points (QPOINTS, --qpoints) - Band structure (BAND, --band) - Animation (ANIME, --anime) - Modulation (MODULATION, --modulation) - Characters of Irreps (IRREPS, --irreps) - Create displacements (CREATE_DISPLACEMENTS, -d) ---------------------------------------------------------------------------- Summary of calculation was written in "phonopy.yaml". -------------------------[time 2026-01-07 23:59:56]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-07 23:59:56]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: force constants HDF5 data compression filter: gzip Crystal structure was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". Supercell (dim): [2 1 1] Primitive matrix: [0. 0.5 0.5] [0.5 0. 0.5] [0.5 0.5 0. ] Spacegroup: Fddd (70) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 0.000000000000000 6.734395020000000 11.838986980000001 b 2.761676415000000 0.000000000000000 11.838986980000001 c 2.761676415000000 6.734395020000000 0.000000000000000 Atomic positions (fractional): 1 S 0.45263217575669 0.15619419074921 0.85309526045801 32.065 2 S 0.53807837303609 0.85309526045801 0.15619419074921 32.065 3 S 0.71192162696391 0.39690473954199 0.09380580925079 32.065 4 S 0.79736782424331 0.09380580925079 0.39690473954199 32.065 5 S 0.09380580925079 0.79736782424331 0.71192162696391 32.065 6 S 0.39690473954199 0.71192162696391 0.79736782424331 32.065 7 S 0.85309526045802 0.53807837303609 0.45263217575669 32.065 8 S 0.15619419074921 0.45263217575669 0.53807837303609 32.065 9 Cu 0.50000000000000 0.50000000000000 0.50000000000000 63.546 10 Cu 0.75000000000000 0.75000000000000 0.75000000000000 63.546 11 Rb 0.17821938193859 0.17821938193859 0.82178061806141 85.468 12 Rb 0.82178061806141 0.82178061806141 0.17821938193859 85.468 13 Rb 0.07178061806141 0.07178061806141 0.42821938193859 85.468 14 Rb 0.42821938193859 0.42821938193859 0.07178061806141 85.468 15 Ta 0.00000000000000 0.00000000000000 0.00000000000000 180.948 16 Ta 0.25000000000000 0.25000000000000 0.25000000000000 180.948 -------------------------------- supercell --------------------------------- Lattice vectors: a 11.046705660000001 0.000000000000000 0.000000000000000 b 0.000000000000000 13.468790040000000 0.000000000000000 c 0.000000000000000 0.000000000000000 23.677973960000003 Atomic positions (fractional): 1 S 0.00232236280181 0.65286371810735 0.80441318325295 32.065 > 1 2 S 0.50232236280181 0.65286371810735 0.80441318325295 32.065 > 1 3 S 0.00232236280181 0.84713628189265 0.69558681674705 32.065 > 3 4 S 0.50232236280181 0.84713628189265 0.69558681674705 32.065 > 3 5 S 0.37267763719819 0.90286371810735 0.55441318325295 32.065 > 5 6 S 0.87267763719819 0.90286371810735 0.55441318325295 32.065 > 5 7 S 0.37267763719819 0.59713628189265 0.94558681674705 32.065 > 7 8 S 0.87267763719819 0.59713628189265 0.94558681674705 32.065 > 7 9 S 0.37732236280181 0.90286371810735 0.94558681674705 32.065 > 9 10 S 0.87732236280181 0.90286371810735 0.94558681674705 32.065 > 9 11 S 0.37732236280181 0.59713628189265 0.55441318325295 32.065 > 11 12 S 0.87732236280181 0.59713628189265 0.55441318325295 32.065 > 11 13 S 0.24767763719819 0.65286371810735 0.69558681674705 32.065 > 13 14 S 0.74767763719819 0.65286371810735 0.69558681674705 32.065 > 13 15 S 0.24767763719819 0.84713628189265 0.80441318325295 32.065 > 15 16 S 0.74767763719819 0.84713628189265 0.80441318325295 32.065 > 15 17 S 0.00232236280181 0.15286371810735 0.30441318325295 32.065 > 1 18 S 0.50232236280181 0.15286371810735 0.30441318325295 32.065 > 1 19 S 0.00232236280181 0.34713628189265 0.19558681674705 32.065 > 3 20 S 0.50232236280181 0.34713628189265 0.19558681674705 32.065 > 3 21 S 0.37267763719819 0.40286371810735 0.05441318325295 32.065 > 5 22 S 0.87267763719819 0.40286371810735 0.05441318325295 32.065 > 5 23 S 0.37267763719819 0.09713628189265 0.44558681674705 32.065 > 7 24 S 0.87267763719819 0.09713628189265 0.44558681674705 32.065 > 7 25 S 0.37732236280181 0.40286371810735 0.44558681674705 32.065 > 9 26 S 0.87732236280181 0.40286371810735 0.44558681674705 32.065 > 9 27 S 0.37732236280181 0.09713628189265 0.05441318325295 32.065 > 11 28 S 0.87732236280181 0.09713628189265 0.05441318325295 32.065 > 11 29 S 0.24767763719819 0.15286371810735 0.19558681674705 32.065 > 13 30 S 0.74767763719819 0.15286371810735 0.19558681674705 32.065 > 13 31 S 0.24767763719819 0.34713628189265 0.30441318325295 32.065 > 15 32 S 0.74767763719819 0.34713628189265 0.30441318325295 32.065 > 15 33 S 0.25232236280181 0.65286371810735 0.30441318325295 32.065 > 1 34 S 0.75232236280181 0.65286371810735 0.30441318325295 32.065 > 1 35 S 0.25232236280181 0.84713628189265 0.19558681674705 32.065 > 3 36 S 0.75232236280181 0.84713628189265 0.19558681674705 32.065 > 3 37 S 0.12267763719819 0.90286371810735 0.05441318325295 32.065 > 5 38 S 0.62267763719819 0.90286371810735 0.05441318325295 32.065 > 5 39 S 0.12267763719819 0.59713628189265 0.44558681674705 32.065 > 7 40 S 0.62267763719819 0.59713628189265 0.44558681674705 32.065 > 7 41 S 0.12732236280181 0.90286371810735 0.44558681674705 32.065 > 9 42 S 0.62732236280181 0.90286371810735 0.44558681674705 32.065 > 9 43 S 0.12732236280181 0.59713628189265 0.05441318325295 32.065 > 11 44 S 0.62732236280181 0.59713628189265 0.05441318325295 32.065 > 11 45 S 0.49767763719819 0.65286371810735 0.19558681674705 32.065 > 13 46 S 0.99767763719819 0.65286371810735 0.19558681674705 32.065 > 13 47 S 0.49767763719819 0.84713628189265 0.30441318325295 32.065 > 15 48 S 0.99767763719819 0.84713628189265 0.30441318325295 32.065 > 15 49 S 0.25232236280181 0.15286371810735 0.80441318325295 32.065 > 1 50 S 0.75232236280181 0.15286371810735 0.80441318325295 32.065 > 1 51 S 0.25232236280181 0.34713628189265 0.69558681674705 32.065 > 3 52 S 0.75232236280181 0.34713628189265 0.69558681674705 32.065 > 3 53 S 0.12267763719819 0.40286371810735 0.55441318325295 32.065 > 5 54 S 0.62267763719819 0.40286371810735 0.55441318325295 32.065 > 5 55 S 0.12267763719819 0.09713628189265 0.94558681674705 32.065 > 7 56 S 0.62267763719819 0.09713628189265 0.94558681674705 32.065 > 7 57 S 0.12732236280181 0.40286371810735 0.94558681674705 32.065 > 9 58 S 0.62732236280181 0.40286371810735 0.94558681674705 32.065 > 9 59 S 0.12732236280181 0.09713628189265 0.55441318325295 32.065 > 11 60 S 0.62732236280181 0.09713628189265 0.55441318325295 32.065 > 11 61 S 0.49767763719819 0.15286371810735 0.69558681674705 32.065 > 13 62 S 0.99767763719819 0.15286371810735 0.69558681674705 32.065 > 13 63 S 0.49767763719819 0.34713628189265 0.80441318325295 32.065 > 15 64 S 0.99767763719819 0.34713628189265 0.80441318325295 32.065 > 15 65 Cu 0.25000000000000 0.00000000000000 0.00000000000000 63.546 > 65 66 Cu 0.75000000000000 0.00000000000000 0.00000000000000 63.546 > 65 67 Cu 0.37500000000000 0.75000000000000 0.75000000000000 63.546 > 67 68 Cu 0.87500000000000 0.75000000000000 0.75000000000000 63.546 > 67 69 Cu 0.25000000000000 0.50000000000000 0.50000000000000 63.546 > 65 70 Cu 0.75000000000000 0.50000000000000 0.50000000000000 63.546 > 65 71 Cu 0.37500000000000 0.25000000000000 0.25000000000000 63.546 > 67 72 Cu 0.87500000000000 0.25000000000000 0.25000000000000 63.546 > 67 73 Cu 0.00000000000000 0.00000000000000 0.50000000000000 63.546 > 65 74 Cu 0.50000000000000 0.00000000000000 0.50000000000000 63.546 > 65 75 Cu 0.12500000000000 0.75000000000000 0.25000000000000 63.546 > 67 76 Cu 0.62500000000000 0.75000000000000 0.25000000000000 63.546 > 67 77 Cu 0.00000000000000 0.50000000000000 0.00000000000000 63.546 > 65 78 Cu 0.50000000000000 0.50000000000000 0.00000000000000 63.546 > 65 79 Cu 0.12500000000000 0.25000000000000 0.75000000000000 63.546 > 67 80 Cu 0.62500000000000 0.25000000000000 0.75000000000000 63.546 > 67 81 Rb 0.25000000000000 0.00000000000000 0.67821938193859 85.468 > 81 82 Rb 0.75000000000000 0.00000000000000 0.67821938193859 85.468 > 81 83 Rb 0.00000000000000 0.00000000000000 0.82178061806141 85.468 > 83 84 Rb 0.50000000000000 0.00000000000000 0.82178061806141 85.468 > 83 85 Rb 0.12500000000000 0.75000000000000 0.57178061806141 85.468 > 85 86 Rb 0.62500000000000 0.75000000000000 0.57178061806141 85.468 > 85 87 Rb 0.12500000000000 0.75000000000000 0.92821938193859 85.468 > 87 88 Rb 0.62500000000000 0.75000000000000 0.92821938193859 85.468 > 87 89 Rb 0.25000000000000 0.50000000000000 0.17821938193859 85.468 > 81 90 Rb 0.75000000000000 0.50000000000000 0.17821938193859 85.468 > 81 91 Rb 0.00000000000000 0.50000000000000 0.32178061806141 85.468 > 83 92 Rb 0.50000000000000 0.50000000000000 0.32178061806141 85.468 > 83 93 Rb 0.12500000000000 0.25000000000000 0.07178061806141 85.468 > 85 94 Rb 0.62500000000000 0.25000000000000 0.07178061806141 85.468 > 85 95 Rb 0.12500000000000 0.25000000000000 0.42821938193859 85.468 > 87 96 Rb 0.62500000000000 0.25000000000000 0.42821938193859 85.468 > 87 97 Rb 0.00000000000000 0.00000000000000 0.17821938193859 85.468 > 81 98 Rb 0.50000000000000 0.00000000000000 0.17821938193859 85.468 > 81 99 Rb 0.25000000000000 0.00000000000000 0.32178061806141 85.468 > 83 100 Rb 0.75000000000000 0.00000000000000 0.32178061806141 85.468 > 83 101 Rb 0.37500000000000 0.75000000000000 0.07178061806141 85.468 > 85 102 Rb 0.87500000000000 0.75000000000000 0.07178061806141 85.468 > 85 103 Rb 0.37500000000000 0.75000000000000 0.42821938193859 85.468 > 87 104 Rb 0.87500000000000 0.75000000000000 0.42821938193859 85.468 > 87 105 Rb 0.00000000000000 0.50000000000000 0.67821938193859 85.468 > 81 106 Rb 0.50000000000000 0.50000000000000 0.67821938193859 85.468 > 81 107 Rb 0.25000000000000 0.50000000000000 0.82178061806141 85.468 > 83 108 Rb 0.75000000000000 0.50000000000000 0.82178061806141 85.468 > 83 109 Rb 0.37500000000000 0.25000000000000 0.57178061806141 85.468 > 85 110 Rb 0.87500000000000 0.25000000000000 0.57178061806141 85.468 > 85 111 Rb 0.37500000000000 0.25000000000000 0.92821938193859 85.468 > 87 112 Rb 0.87500000000000 0.25000000000000 0.92821938193859 85.468 > 87 113 Ta 0.00000000000000 0.00000000000000 0.00000000000000 180.948 > 113 114 Ta 0.50000000000000 0.00000000000000 0.00000000000000 180.948 > 113 115 Ta 0.12500000000000 0.75000000000000 0.75000000000000 180.948 > 115 116 Ta 0.62500000000000 0.75000000000000 0.75000000000000 180.948 > 115 117 Ta 0.00000000000000 0.50000000000000 0.50000000000000 180.948 > 113 118 Ta 0.50000000000000 0.50000000000000 0.50000000000000 180.948 > 113 119 Ta 0.12500000000000 0.25000000000000 0.25000000000000 180.948 > 115 120 Ta 0.62500000000000 0.25000000000000 0.25000000000000 180.948 > 115 121 Ta 0.25000000000000 0.00000000000000 0.50000000000000 180.948 > 113 122 Ta 0.75000000000000 0.00000000000000 0.50000000000000 180.948 > 113 123 Ta 0.37500000000000 0.75000000000000 0.25000000000000 180.948 > 115 124 Ta 0.87500000000000 0.75000000000000 0.25000000000000 180.948 > 115 125 Ta 0.25000000000000 0.50000000000000 0.00000000000000 180.948 > 113 126 Ta 0.75000000000000 0.50000000000000 0.00000000000000 180.948 > 113 127 Ta 0.37500000000000 0.25000000000000 0.75000000000000 180.948 > 115 128 Ta 0.87500000000000 0.25000000000000 0.75000000000000 180.948 > 115 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 5.2835862 0.0000000 0.0000000 0.0000000 3.9193376 0.0000000 0.0000000 0.0000000 3.6713802 -------------------------- Born effective charges -------------------------- 1 S -1.5181738 -0.8510403 0.7151594 -0.3906177 -1.1546631 0.6502951 0.2392420 0.5335961 -0.9994617 2 S -1.5181738 0.8510403 -0.7151594 0.3906177 -1.1546631 0.6502951 -0.2392420 0.5335961 -0.9994617 3 S -1.5181738 0.8510403 -0.7151594 0.3906177 -1.1546631 0.6502951 -0.2392420 0.5335961 -0.9994617 4 S -1.5181738 -0.8510403 0.7151594 -0.3906177 -1.1546631 0.6502951 0.2392420 0.5335961 -0.9994617 5 S -1.5181738 -0.8510403 -0.7151594 -0.3906177 -1.1546631 -0.6502951 -0.2392420 -0.5335961 -0.9994617 6 S -1.5181738 0.8510403 0.7151594 0.3906177 -1.1546631 -0.6502951 0.2392420 -0.5335961 -0.9994617 7 S -1.5181738 0.8510403 0.7151594 0.3906177 -1.1546631 -0.6502951 0.2392420 -0.5335961 -0.9994617 8 S -1.5181738 -0.8510403 -0.7151594 -0.3906177 -1.1546631 -0.6502951 -0.2392420 -0.5335961 -0.9994617 9 Cu -0.1668120 0.0000000 0.0000000 0.0000000 0.3465846 -0.0000000 0.0000000 0.0000000 0.3458980 10 Cu -0.1668120 0.0000000 0.0000000 0.0000000 0.3465846 -0.0000000 0.0000000 0.0000000 0.3458980 11 Rb 1.2196451 -0.0420950 0.0000000 -0.0023329 1.3953714 -0.0000000 0.0000000 0.0000000 1.3107403 12 Rb 1.2196451 0.0420950 0.0000000 0.0023329 1.3953714 -0.0000000 0.0000000 0.0000000 1.3107403 13 Rb 1.2196451 -0.0420950 0.0000000 -0.0023329 1.3953714 -0.0000000 0.0000000 0.0000000 1.3107403 14 Rb 1.2196451 0.0420950 0.0000000 0.0023329 1.3953714 -0.0000000 0.0000000 0.0000000 1.3107403 15 Ta 3.8002173 0.0000000 0.0000000 0.0000000 1.4813251 -0.0000000 0.0000000 0.0000000 1.0304684 16 Ta 3.8002173 0.0000000 0.0000000 0.0000000 1.4813251 -0.0000000 0.0000000 0.0000000 1.0304684 ---------------------------------------------------------------------------- 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[ 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[ 113, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Expanding fc3. Symmetrizing fc3 by traditional approach (N=3). Symmetrizing fc2 by traditional approach (N=3). Max drift of fc3: -0.00000002 (xxx) -0.00000002 (xxx) -0.00000002 (xxx) fc3 was written into "fc3.hdf5". Max drift of fc2: 0.00000000 (yz) 0.00000000 (yz) fc2 was written into "fc2.hdf5". --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperatures: 0.0 300.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 ----------- None of ph-ph interaction calculation was performed. ----------- Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 00:00:15]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 00:00:15]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: conductivity-RTA HDF5 data compression filter: gzip Crystal structure was read from "phono3py.yaml". Supercell (dim): [2 1 1] Primitive matrix: [0. 0.5 0.5] [0.5 0. 0.5] [0.5 0.5 0. ] Spacegroup: Fddd (70) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 0.000000000000000 6.734395020000000 11.838986980000001 b 2.761676415000000 0.000000000000000 11.838986980000001 c 2.761676415000000 6.734395020000000 0.000000000000000 Atomic positions (fractional): 1 S 0.45263217575669 0.15619419074921 0.85309526045801 32.065 2 S 0.53807837303609 0.85309526045801 0.15619419074921 32.065 3 S 0.71192162696391 0.39690473954199 0.09380580925079 32.065 4 S 0.79736782424331 0.09380580925079 0.39690473954199 32.065 5 S 0.09380580925079 0.79736782424331 0.71192162696391 32.065 6 S 0.39690473954199 0.71192162696391 0.79736782424331 32.065 7 S 0.85309526045802 0.53807837303609 0.45263217575669 32.065 8 S 0.15619419074921 0.45263217575669 0.53807837303609 32.065 9 Cu 0.50000000000000 0.50000000000000 0.50000000000000 63.546 10 Cu 0.75000000000000 0.75000000000000 0.75000000000000 63.546 11 Rb 0.17821938193859 0.17821938193859 0.82178061806141 85.468 12 Rb 0.82178061806141 0.82178061806141 0.17821938193859 85.468 13 Rb 0.07178061806141 0.07178061806141 0.42821938193859 85.468 14 Rb 0.42821938193859 0.42821938193859 0.07178061806141 85.468 15 Ta 0.00000000000000 0.00000000000000 0.00000000000000 180.948 16 Ta 0.25000000000000 0.25000000000000 0.25000000000000 180.948 -------------------------------- supercell --------------------------------- Lattice vectors: a 11.046705660000001 0.000000000000000 0.000000000000000 b 0.000000000000000 13.468790040000000 0.000000000000000 c 0.000000000000000 0.000000000000000 23.677973960000003 Atomic positions (fractional): 1 S 0.00232236280181 0.65286371810735 0.80441318325295 32.065 > 1 2 S 0.50232236280181 0.65286371810735 0.80441318325295 32.065 > 1 3 S 0.00232236280181 0.84713628189265 0.69558681674705 32.065 > 3 4 S 0.50232236280181 0.84713628189265 0.69558681674705 32.065 > 3 5 S 0.37267763719819 0.90286371810735 0.55441318325295 32.065 > 5 6 S 0.87267763719819 0.90286371810735 0.55441318325295 32.065 > 5 7 S 0.37267763719819 0.59713628189265 0.94558681674705 32.065 > 7 8 S 0.87267763719819 0.59713628189265 0.94558681674705 32.065 > 7 9 S 0.37732236280181 0.90286371810735 0.94558681674705 32.065 > 9 10 S 0.87732236280181 0.90286371810735 0.94558681674705 32.065 > 9 11 S 0.37732236280181 0.59713628189265 0.55441318325295 32.065 > 11 12 S 0.87732236280181 0.59713628189265 0.55441318325295 32.065 > 11 13 S 0.24767763719819 0.65286371810735 0.69558681674705 32.065 > 13 14 S 0.74767763719819 0.65286371810735 0.69558681674705 32.065 > 13 15 S 0.24767763719819 0.84713628189265 0.80441318325295 32.065 > 15 16 S 0.74767763719819 0.84713628189265 0.80441318325295 32.065 > 15 17 S 0.00232236280181 0.15286371810735 0.30441318325295 32.065 > 1 18 S 0.50232236280181 0.15286371810735 0.30441318325295 32.065 > 1 19 S 0.00232236280181 0.34713628189265 0.19558681674705 32.065 > 3 20 S 0.50232236280181 0.34713628189265 0.19558681674705 32.065 > 3 21 S 0.37267763719819 0.40286371810735 0.05441318325295 32.065 > 5 22 S 0.87267763719819 0.40286371810735 0.05441318325295 32.065 > 5 23 S 0.37267763719819 0.09713628189265 0.44558681674705 32.065 > 7 24 S 0.87267763719819 0.09713628189265 0.44558681674705 32.065 > 7 25 S 0.37732236280181 0.40286371810735 0.44558681674705 32.065 > 9 26 S 0.87732236280181 0.40286371810735 0.44558681674705 32.065 > 9 27 S 0.37732236280181 0.09713628189265 0.05441318325295 32.065 > 11 28 S 0.87732236280181 0.09713628189265 0.05441318325295 32.065 > 11 29 S 0.24767763719819 0.15286371810735 0.19558681674705 32.065 > 13 30 S 0.74767763719819 0.15286371810735 0.19558681674705 32.065 > 13 31 S 0.24767763719819 0.34713628189265 0.30441318325295 32.065 > 15 32 S 0.74767763719819 0.34713628189265 0.30441318325295 32.065 > 15 33 S 0.25232236280181 0.65286371810735 0.30441318325295 32.065 > 1 34 S 0.75232236280181 0.65286371810735 0.30441318325295 32.065 > 1 35 S 0.25232236280181 0.84713628189265 0.19558681674705 32.065 > 3 36 S 0.75232236280181 0.84713628189265 0.19558681674705 32.065 > 3 37 S 0.12267763719819 0.90286371810735 0.05441318325295 32.065 > 5 38 S 0.62267763719819 0.90286371810735 0.05441318325295 32.065 > 5 39 S 0.12267763719819 0.59713628189265 0.44558681674705 32.065 > 7 40 S 0.62267763719819 0.59713628189265 0.44558681674705 32.065 > 7 41 S 0.12732236280181 0.90286371810735 0.44558681674705 32.065 > 9 42 S 0.62732236280181 0.90286371810735 0.44558681674705 32.065 > 9 43 S 0.12732236280181 0.59713628189265 0.05441318325295 32.065 > 11 44 S 0.62732236280181 0.59713628189265 0.05441318325295 32.065 > 11 45 S 0.49767763719819 0.65286371810735 0.19558681674705 32.065 > 13 46 S 0.99767763719819 0.65286371810735 0.19558681674705 32.065 > 13 47 S 0.49767763719819 0.84713628189265 0.30441318325295 32.065 > 15 48 S 0.99767763719819 0.84713628189265 0.30441318325295 32.065 > 15 49 S 0.25232236280181 0.15286371810735 0.80441318325295 32.065 > 1 50 S 0.75232236280181 0.15286371810735 0.80441318325295 32.065 > 1 51 S 0.25232236280181 0.34713628189265 0.69558681674705 32.065 > 3 52 S 0.75232236280181 0.34713628189265 0.69558681674705 32.065 > 3 53 S 0.12267763719819 0.40286371810735 0.55441318325295 32.065 > 5 54 S 0.62267763719819 0.40286371810735 0.55441318325295 32.065 > 5 55 S 0.12267763719819 0.09713628189265 0.94558681674705 32.065 > 7 56 S 0.62267763719819 0.09713628189265 0.94558681674705 32.065 > 7 57 S 0.12732236280181 0.40286371810735 0.94558681674705 32.065 > 9 58 S 0.62732236280181 0.40286371810735 0.94558681674705 32.065 > 9 59 S 0.12732236280181 0.09713628189265 0.55441318325295 32.065 > 11 60 S 0.62732236280181 0.09713628189265 0.55441318325295 32.065 > 11 61 S 0.49767763719819 0.15286371810735 0.69558681674705 32.065 > 13 62 S 0.99767763719819 0.15286371810735 0.69558681674705 32.065 > 13 63 S 0.49767763719819 0.34713628189265 0.80441318325295 32.065 > 15 64 S 0.99767763719819 0.34713628189265 0.80441318325295 32.065 > 15 65 Cu 0.25000000000000 0.00000000000000 0.00000000000000 63.546 > 65 66 Cu 0.75000000000000 0.00000000000000 0.00000000000000 63.546 > 65 67 Cu 0.37500000000000 0.75000000000000 0.75000000000000 63.546 > 67 68 Cu 0.87500000000000 0.75000000000000 0.75000000000000 63.546 > 67 69 Cu 0.25000000000000 0.50000000000000 0.50000000000000 63.546 > 65 70 Cu 0.75000000000000 0.50000000000000 0.50000000000000 63.546 > 65 71 Cu 0.37500000000000 0.25000000000000 0.25000000000000 63.546 > 67 72 Cu 0.87500000000000 0.25000000000000 0.25000000000000 63.546 > 67 73 Cu 0.00000000000000 0.00000000000000 0.50000000000000 63.546 > 65 74 Cu 0.50000000000000 0.00000000000000 0.50000000000000 63.546 > 65 75 Cu 0.12500000000000 0.75000000000000 0.25000000000000 63.546 > 67 76 Cu 0.62500000000000 0.75000000000000 0.25000000000000 63.546 > 67 77 Cu 0.00000000000000 0.50000000000000 0.00000000000000 63.546 > 65 78 Cu 0.50000000000000 0.50000000000000 0.00000000000000 63.546 > 65 79 Cu 0.12500000000000 0.25000000000000 0.75000000000000 63.546 > 67 80 Cu 0.62500000000000 0.25000000000000 0.75000000000000 63.546 > 67 81 Rb 0.25000000000000 0.00000000000000 0.67821938193859 85.468 > 81 82 Rb 0.75000000000000 0.00000000000000 0.67821938193859 85.468 > 81 83 Rb 0.00000000000000 0.00000000000000 0.82178061806141 85.468 > 83 84 Rb 0.50000000000000 0.00000000000000 0.82178061806141 85.468 > 83 85 Rb 0.12500000000000 0.75000000000000 0.57178061806141 85.468 > 85 86 Rb 0.62500000000000 0.75000000000000 0.57178061806141 85.468 > 85 87 Rb 0.12500000000000 0.75000000000000 0.92821938193859 85.468 > 87 88 Rb 0.62500000000000 0.75000000000000 0.92821938193859 85.468 > 87 89 Rb 0.25000000000000 0.50000000000000 0.17821938193859 85.468 > 81 90 Rb 0.75000000000000 0.50000000000000 0.17821938193859 85.468 > 81 91 Rb 0.00000000000000 0.50000000000000 0.32178061806141 85.468 > 83 92 Rb 0.50000000000000 0.50000000000000 0.32178061806141 85.468 > 83 93 Rb 0.12500000000000 0.25000000000000 0.07178061806141 85.468 > 85 94 Rb 0.62500000000000 0.25000000000000 0.07178061806141 85.468 > 85 95 Rb 0.12500000000000 0.25000000000000 0.42821938193859 85.468 > 87 96 Rb 0.62500000000000 0.25000000000000 0.42821938193859 85.468 > 87 97 Rb 0.00000000000000 0.00000000000000 0.17821938193859 85.468 > 81 98 Rb 0.50000000000000 0.00000000000000 0.17821938193859 85.468 > 81 99 Rb 0.25000000000000 0.00000000000000 0.32178061806141 85.468 > 83 100 Rb 0.75000000000000 0.00000000000000 0.32178061806141 85.468 > 83 101 Rb 0.37500000000000 0.75000000000000 0.07178061806141 85.468 > 85 102 Rb 0.87500000000000 0.75000000000000 0.07178061806141 85.468 > 85 103 Rb 0.37500000000000 0.75000000000000 0.42821938193859 85.468 > 87 104 Rb 0.87500000000000 0.75000000000000 0.42821938193859 85.468 > 87 105 Rb 0.00000000000000 0.50000000000000 0.67821938193859 85.468 > 81 106 Rb 0.50000000000000 0.50000000000000 0.67821938193859 85.468 > 81 107 Rb 0.25000000000000 0.50000000000000 0.82178061806141 85.468 > 83 108 Rb 0.75000000000000 0.50000000000000 0.82178061806141 85.468 > 83 109 Rb 0.37500000000000 0.25000000000000 0.57178061806141 85.468 > 85 110 Rb 0.87500000000000 0.25000000000000 0.57178061806141 85.468 > 85 111 Rb 0.37500000000000 0.25000000000000 0.92821938193859 85.468 > 87 112 Rb 0.87500000000000 0.25000000000000 0.92821938193859 85.468 > 87 113 Ta 0.00000000000000 0.00000000000000 0.00000000000000 180.948 > 113 114 Ta 0.50000000000000 0.00000000000000 0.00000000000000 180.948 > 113 115 Ta 0.12500000000000 0.75000000000000 0.75000000000000 180.948 > 115 116 Ta 0.62500000000000 0.75000000000000 0.75000000000000 180.948 > 115 117 Ta 0.00000000000000 0.50000000000000 0.50000000000000 180.948 > 113 118 Ta 0.50000000000000 0.50000000000000 0.50000000000000 180.948 > 113 119 Ta 0.12500000000000 0.25000000000000 0.25000000000000 180.948 > 115 120 Ta 0.62500000000000 0.25000000000000 0.25000000000000 180.948 > 115 121 Ta 0.25000000000000 0.00000000000000 0.50000000000000 180.948 > 113 122 Ta 0.75000000000000 0.00000000000000 0.50000000000000 180.948 > 113 123 Ta 0.37500000000000 0.75000000000000 0.25000000000000 180.948 > 115 124 Ta 0.87500000000000 0.75000000000000 0.25000000000000 180.948 > 115 125 Ta 0.25000000000000 0.50000000000000 0.00000000000000 180.948 > 113 126 Ta 0.75000000000000 0.50000000000000 0.00000000000000 180.948 > 113 127 Ta 0.37500000000000 0.25000000000000 0.75000000000000 180.948 > 115 128 Ta 0.87500000000000 0.25000000000000 0.75000000000000 180.948 > 115 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 5.2835862 0.0000000 0.0000000 0.0000000 3.9193376 0.0000000 0.0000000 0.0000000 3.6713802 -------------------------- Born effective charges -------------------------- 1 S -1.5181738 -0.8510403 0.7151594 -0.3906177 -1.1546631 0.6502951 0.2392420 0.5335961 -0.9994617 2 S -1.5181738 0.8510403 -0.7151594 0.3906177 -1.1546631 0.6502951 -0.2392420 0.5335961 -0.9994617 3 S -1.5181738 0.8510403 -0.7151594 0.3906177 -1.1546631 0.6502951 -0.2392420 0.5335961 -0.9994617 4 S -1.5181738 -0.8510403 0.7151594 -0.3906177 -1.1546631 0.6502951 0.2392420 0.5335961 -0.9994617 5 S -1.5181738 -0.8510403 -0.7151594 -0.3906177 -1.1546631 -0.6502951 -0.2392420 -0.5335961 -0.9994617 6 S -1.5181738 0.8510403 0.7151594 0.3906177 -1.1546631 -0.6502951 0.2392420 -0.5335961 -0.9994617 7 S -1.5181738 0.8510403 0.7151594 0.3906177 -1.1546631 -0.6502951 0.2392420 -0.5335961 -0.9994617 8 S -1.5181738 -0.8510403 -0.7151594 -0.3906177 -1.1546631 -0.6502951 -0.2392420 -0.5335961 -0.9994617 9 Cu -0.1668120 0.0000000 0.0000000 0.0000000 0.3465846 -0.0000000 0.0000000 0.0000000 0.3458980 10 Cu -0.1668120 0.0000000 0.0000000 0.0000000 0.3465846 -0.0000000 0.0000000 0.0000000 0.3458980 11 Rb 1.2196451 -0.0420950 0.0000000 -0.0023329 1.3953714 -0.0000000 0.0000000 0.0000000 1.3107403 12 Rb 1.2196451 0.0420950 0.0000000 0.0023329 1.3953714 -0.0000000 0.0000000 0.0000000 1.3107403 13 Rb 1.2196451 -0.0420950 0.0000000 -0.0023329 1.3953714 -0.0000000 0.0000000 0.0000000 1.3107403 14 Rb 1.2196451 0.0420950 0.0000000 0.0023329 1.3953714 -0.0000000 0.0000000 0.0000000 1.3107403 15 Ta 3.8002173 0.0000000 0.0000000 0.0000000 1.4813251 -0.0000000 0.0000000 0.0000000 1.0304684 16 Ta 3.8002173 0.0000000 0.0000000 0.0000000 1.4813251 -0.0000000 0.0000000 0.0000000 1.0304684 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: -0.00000002 (xxx) -0.00000002 (xxx) -0.00000002 (xxx) Max drift of fc2: -0.00000000 (yy) -0.00000000 (yy) --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperature: 0.0 10.0 20.0 30.0 40.0 ... 1000.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 Length for sampling mesh generation: 50.00 Generating grid system ... [ 10 10 10 ] fc3-r2q-transformation over three atoms: True --------------------------- Phonon calculations ---------------------------- Use NAC by Gonze et al. (no real space sum in current implementation) PRB 50, 13035(R) (1994), PRB 55, 10355 (1997) G-cutoff distance: 0.55, Number of G-points: 277, Lambda: 0.12 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/171) ======================= 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 1.10e-04 1.10e-04 3.67e-09 3.67e-09 Number of triplets: 171 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 0.635 ( 0.000 0.000 0.000) 0.000 0.843 ( 0.000 0.000 0.000) 0.000 1.343 ( 0.000 0.000 0.000) 0.000 1.396 ( 0.000 0.000 0.000) 0.000 1.588 ( 0.000 0.000 0.000) 0.000 1.676 ( 0.000 0.000 -0.000) 0.000 1.693 ( 0.000 0.000 -0.000) 0.000 1.934 ( 0.000 0.000 -0.000) 0.000 2.013 ( 0.000 0.000 -0.000) 0.000 2.027 ( 0.000 0.000 0.000) 0.000 2.075 ( 0.000 0.000 -0.000) 0.000 2.100 ( 0.000 0.000 0.000) 0.000 2.125 ( 0.000 0.000 0.000) 0.000 2.284 ( 0.000 0.000 0.000) 0.000 2.308 ( 0.000 0.000 -0.000) 0.000 2.367 ( 0.000 0.000 0.000) 0.000 2.439 ( 0.000 0.000 -0.000) 0.000 2.852 ( 0.000 0.000 0.000) 0.000 2.888 ( 0.000 0.000 0.000) 0.000 2.972 ( 0.000 0.000 -0.000) 0.000 3.015 ( 0.000 0.000 0.000) 0.000 4.338 ( 0.000 0.000 0.000) 0.000 4.338 ( 0.000 0.000 -0.000) 0.000 4.375 ( 0.000 0.000 -0.000) 0.000 4.543 ( 0.000 0.000 0.000) 0.000 4.888 ( 0.000 0.000 -0.000) 0.000 4.945 ( 0.000 0.000 -0.000) 0.000 5.707 ( 0.000 0.000 0.000) 0.000 5.736 ( 0.000 0.000 0.000) 0.000 6.602 ( 0.000 0.000 0.000) 0.000 6.662 ( 0.000 0.000 0.000) 0.000 6.695 ( 0.000 0.000 -0.000) 0.000 6.698 ( 0.000 0.000 0.000) 0.000 7.317 ( 0.000 0.000 -0.000) 0.000 7.318 ( 0.000 0.000 0.000) 0.000 7.814 ( 0.000 0.000 -0.000) 0.000 7.817 ( 0.000 0.000 0.000) 0.000 12.165 ( 0.000 0.000 -0.000) 0.000 12.352 ( 0.000 0.000 0.000) 0.000 12.380 ( 0.000 0.000 0.000) 0.000 12.485 ( 0.000 0.000 0.000) 0.000 12.567 ( 0.000 0.000 -0.000) 0.000 12.830 ( 0.000 0.000 0.000) 0.000 12.889 ( 0.000 0.000 -0.000) 0.000 12.939 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/171) ======================= q-point: ( 0.10 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 1.10e-04 1.10e-04 3.67e-09 3.67e-09 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.251 ( -10.597 5.837 8.735) 14.922 0.396 ( -18.057 6.153 1.927) 19.174 0.832 ( -39.650 5.932 0.076) 40.092 0.899 ( -9.362 0.085 -0.646) 9.384 0.995 ( -23.507 5.413 -0.311) 24.124 1.446 ( -8.479 -0.485 0.816) 8.532 1.481 ( -5.167 -0.784 -2.871) 5.963 1.502 ( 0.675 -1.271 0.497) 1.523 1.675 ( 1.921 0.395 -0.386) 1.999 1.683 ( 0.505 0.957 0.752) 1.318 1.973 ( -2.046 -1.632 -4.178) 4.930 2.004 ( -1.155 0.857 -0.404) 1.494 2.062 ( -0.122 -0.783 4.548) 4.617 2.106 ( -3.636 1.357 0.848) 3.972 2.182 ( -6.109 0.232 -1.466) 6.287 2.254 ( -4.516 -3.475 0.748) 5.747 2.268 ( 2.637 -2.551 0.236) 3.676 2.374 ( -2.027 -2.138 0.780) 3.047 2.414 ( 4.432 5.302 -3.108) 7.577 2.446 ( 4.571 4.876 3.912) 7.744 2.797 ( 7.268 0.507 -0.594) 7.310 2.805 ( 8.060 1.869 1.137) 8.351 2.896 ( 8.073 -0.042 0.546) 8.091 2.946 ( 7.856 0.251 -0.054) 7.860 4.380 ( -4.543 -0.612 0.201) 4.588 4.386 ( -5.171 -0.389 0.076) 5.186 4.430 ( -5.046 0.607 0.328) 5.093 4.565 ( -2.355 -0.066 -0.381) 2.386 4.859 ( 3.058 -0.213 0.086) 3.066 4.910 ( 3.437 -0.604 -0.158) 3.493 5.661 ( 5.169 0.172 0.050) 5.172 5.685 ( 5.536 -0.074 -0.076) 5.537 6.610 ( -0.673 -0.074 0.601) 0.905 6.650 ( 0.885 0.593 0.008) 1.065 6.701 ( -0.583 0.189 0.146) 0.630 6.730 ( -2.217 0.276 -0.038) 2.235 7.323 ( -0.398 0.105 0.068) 0.417 7.429 ( -1.287 -2.663 -1.481) 3.308 7.824 ( -1.084 -0.035 0.010) 1.084 7.831 ( -1.534 -0.090 -0.029) 1.536 12.335 ( -2.058 -3.527 -1.093) 4.227 12.407 ( -2.401 0.110 0.634) 2.485 12.475 ( -0.445 -0.144 -3.080) 3.115 12.561 ( 0.841 1.038 -0.649) 1.485 12.778 ( 1.216 -6.942 0.095) 7.048 12.891 ( -0.181 0.612 -0.584) 0.865 12.894 ( -0.391 2.630 -0.993) 2.838 12.930 ( 0.837 -0.115 -0.217) 0.872 ======================= Grid point 2 (3/171) ======================= q-point: ( 0.20 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 1.10e-04 1.10e-04 3.67e-09 3.67e-09 Number of triplets: 504 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.541 ( -12.652 6.229 6.752) 15.635 0.747 ( -15.566 3.549 1.744) 16.060 1.045 ( -8.848 1.189 -2.693) 9.325 1.298 ( -4.339 1.382 -3.689) 5.860 1.371 ( 1.298 -0.057 0.960) 1.615 1.457 ( -17.417 1.650 2.861) 17.727 1.624 ( 1.676 0.115 -0.616) 1.789 1.646 ( -7.627 1.247 -3.058) 8.312 1.698 ( -9.377 1.326 3.140) 9.977 1.832 ( -14.529 -2.362 0.706) 14.737 1.944 ( -1.562 -0.870 -4.719) 5.047 2.037 ( -0.100 1.505 3.721) 4.015 2.092 ( -0.731 3.015 -0.829) 3.211 2.184 ( 1.015 -3.850 -1.097) 4.129 2.251 ( -8.493 1.988 1.179) 8.802 2.272 ( -0.242 2.352 0.202) 2.373 2.361 ( -2.824 1.132 0.057) 3.043 2.367 ( -4.253 1.670 -1.544) 4.824 2.438 ( -7.390 -0.140 0.160) 7.393 2.468 ( -10.336 -5.175 0.765) 11.585 2.617 ( 10.286 2.353 -1.333) 10.636 2.667 ( 9.262 1.082 1.839) 9.505 2.720 ( 9.779 -0.904 0.670) 9.844 2.755 ( 12.045 -0.732 0.218) 12.070 4.477 ( -6.162 -0.821 0.199) 6.220 4.498 ( -6.772 -0.553 0.006) 6.795 4.544 ( -6.311 0.483 0.298) 6.336 4.616 ( -3.289 -0.006 -0.529) 3.332 4.778 ( 5.575 -0.366 0.323) 5.596 4.818 ( 5.790 -0.860 -0.203) 5.857 5.521 ( 10.403 0.117 0.053) 10.403 5.535 ( 10.875 -0.138 -0.088) 10.876 6.631 ( -1.360 0.184 0.096) 1.375 6.648 ( -0.074 0.787 0.119) 0.800 6.717 ( -0.801 0.129 0.356) 0.886 6.770 ( -2.148 -0.460 -0.233) 2.209 7.333 ( -0.594 -0.001 0.336) 0.682 7.423 ( -0.211 -1.425 -0.842) 1.668 7.854 ( -2.069 0.229 0.065) 2.082 7.866 ( -2.246 0.014 -0.077) 2.247 12.348 ( -1.303 -0.719 -0.147) 1.495 12.449 ( -1.334 -1.110 -0.920) 1.964 12.475 ( -1.104 0.429 -0.006) 1.185 12.548 ( 1.161 1.740 -1.406) 2.520 12.704 ( 1.451 -6.409 0.910) 6.634 12.891 ( 0.226 0.472 -0.965) 1.098 12.908 ( 0.594 1.930 0.161) 2.026 12.909 ( 1.337 0.590 -0.141) 1.468 ======================= Grid point 3 (4/171) ======================= q-point: ( 0.30 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 1.10e-04 1.10e-04 3.67e-09 3.67e-09 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.849 ( -13.751 4.927 4.406) 15.257 1.017 ( -12.207 -0.308 0.829) 12.239 1.191 ( -8.160 -1.800 -2.127) 8.623 1.284 ( -1.897 -0.004 -5.120) 5.460 1.438 ( -3.245 0.786 2.231) 4.015 1.596 ( -0.024 0.252 1.888) 1.905 1.609 ( 0.887 0.031 0.656) 1.104 1.642 ( -0.052 0.812 2.429) 2.562 1.844 ( 1.608 -2.538 -2.447) 3.875 1.895 ( 4.069 -2.383 -0.125) 4.717 1.961 ( -5.655 0.943 1.603) 5.953 2.014 ( 5.790 1.756 0.063) 6.051 2.062 ( 4.941 4.493 -2.484) 7.125 2.186 ( 0.870 0.668 -2.196) 2.455 2.207 ( 7.272 0.417 1.503) 7.437 2.319 ( 5.524 0.576 -1.907) 5.872 2.372 ( 8.068 2.053 1.480) 8.456 2.457 ( 6.565 0.593 0.302) 6.598 2.512 ( 0.551 -2.278 -0.489) 2.394 2.536 ( -1.077 -0.916 0.445) 1.482 2.576 ( -2.118 0.309 1.945) 2.892 2.653 ( -10.060 2.322 0.066) 10.324 2.815 ( -29.232 0.659 0.353) 29.242 2.877 ( -27.882 -1.850 -0.621) 27.950 4.576 ( -4.727 -0.923 0.172) 4.819 4.599 ( -3.458 -0.741 -0.210) 3.543 4.643 ( 0.638 -0.358 -0.774) 1.065 4.652 ( -2.912 0.125 -1.164) 3.139 4.684 ( 3.216 -0.365 1.172) 3.443 4.712 ( 2.286 0.051 0.886) 2.452 5.292 ( 14.693 -0.003 -0.000) 14.693 5.296 ( 15.068 -0.136 -0.058) 15.068 6.657 ( -1.051 0.675 -0.266) 1.277 6.666 ( -1.228 0.874 0.245) 1.527 6.732 ( -0.604 -0.116 0.645) 0.891 6.795 ( -1.261 -0.926 -0.514) 1.647 7.346 ( -0.599 -0.104 0.549) 0.820 7.411 ( 0.128 -1.087 -0.688) 1.293 7.897 ( -2.248 0.401 0.088) 2.285 7.906 ( -2.010 0.167 -0.078) 2.018 12.368 ( -0.889 0.488 0.570) 1.163 12.439 ( 0.332 -1.392 -0.100) 1.435 12.498 ( -0.372 -0.222 -1.550) 1.610 12.544 ( -0.151 2.384 -1.376) 2.757 12.646 ( 0.869 -5.095 2.302) 5.658 12.879 ( 0.618 -0.101 -1.366) 1.503 12.891 ( 1.231 1.011 0.091) 1.596 12.909 ( 0.893 1.250 0.788) 1.726 ======================= Grid point 4 (5/171) ======================= q-point: ( 0.40 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 1.10e-04 1.10e-04 3.67e-09 3.67e-09 Number of triplets: 504 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.124 ( -11.511 1.822 1.018) 11.699 1.189 ( -8.315 -3.162 -0.533) 8.912 1.286 ( -4.196 -2.333 -0.004) 4.801 1.345 ( -6.065 -1.316 -2.652) 6.749 1.492 ( -1.491 -0.211 -1.542) 2.156 1.564 ( 1.800 2.072 2.548) 3.746 1.623 ( -1.080 2.038 3.085) 3.851 1.689 ( -1.099 0.441 4.344) 4.503 1.757 ( 3.968 -0.009 0.123) 3.970 1.808 ( 4.804 0.036 0.677) 4.852 1.914 ( 7.530 1.158 -2.263) 7.947 1.938 ( 4.897 -0.173 -1.231) 5.052 2.020 ( 2.384 0.781 -3.382) 4.211 2.037 ( 10.910 0.426 -2.640) 11.233 2.087 ( 4.680 -0.413 0.357) 4.712 2.234 ( 1.636 4.581 1.858) 5.207 2.287 ( 5.299 -0.445 1.396) 5.498 2.398 ( 2.042 -2.849 1.112) 3.677 2.417 ( 0.936 0.268 -1.993) 2.218 2.481 ( 1.008 -2.145 0.697) 2.471 2.815 ( -10.631 1.736 0.702) 10.795 2.857 ( -8.642 1.452 -0.306) 8.769 3.338 ( -24.566 0.305 0.389) 24.571 3.367 ( -23.940 -0.606 -0.361) 23.951 4.519 ( 5.374 -0.695 -0.376) 5.432 4.561 ( 4.218 -0.791 -0.089) 4.292 4.664 ( -2.336 -0.181 0.218) 2.353 4.679 ( -2.427 -0.123 -0.203) 2.439 4.712 ( -2.225 -0.324 -0.470) 2.297 4.751 ( -2.084 0.524 0.978) 2.361 5.012 ( 14.689 -0.077 -0.112) 14.690 5.017 ( 14.312 0.039 0.013) 14.312 6.679 ( -0.764 0.828 -0.013) 1.127 6.695 ( -1.021 0.575 -0.276) 1.203 6.743 ( -0.341 -0.079 0.917) 0.981 6.799 ( -0.326 -1.022 -0.617) 1.238 7.357 ( -0.406 -0.061 0.485) 0.635 7.399 ( 0.122 -0.655 -0.503) 0.835 7.934 ( -1.370 0.207 -0.026) 1.385 7.937 ( -1.200 0.235 0.042) 1.224 12.387 ( -0.279 0.536 0.392) 0.720 12.428 ( 0.102 -0.284 1.179) 1.217 12.478 ( 0.476 -1.086 -2.529) 2.793 12.568 ( -0.531 2.984 -1.799) 3.525 12.614 ( 0.270 -3.978 3.092) 5.046 12.863 ( 0.353 -0.246 -1.015) 1.103 12.880 ( 0.880 0.900 0.454) 1.339 12.903 ( 0.680 0.471 0.349) 0.898 ======================= Grid point 5 (6/171) ======================= q-point: (-0.50 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 1.10e-04 1.10e-04 3.67e-09 3.67e-09 Number of triplets: 252 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.245 ( -0.000 0.000 -0.000) 0.000 1.284 ( 0.000 0.000 0.000) 0.000 1.299 ( -0.000 -0.000 -0.000) 0.000 1.364 ( 0.000 0.000 0.000) 0.000 1.545 ( -0.000 0.000 -0.000) 0.000 1.583 ( -0.000 0.000 0.000) 0.000 1.661 ( -0.000 0.000 0.000) 0.000 1.704 ( 0.000 -0.000 0.000) 0.000 1.706 ( -0.000 0.000 -0.000) 0.000 1.757 ( 0.000 0.000 0.000) 0.000 1.824 ( -0.000 -0.000 0.000) 0.000 1.866 ( -0.000 0.000 0.000) 0.000 1.899 ( -0.000 0.000 0.000) 0.000 1.999 ( -0.000 0.000 0.000) 0.000 2.050 ( -0.000 0.000 0.000) 0.000 2.216 ( -0.000 0.000 -0.000) 0.000 2.275 ( -0.000 0.000 0.000) 0.000 2.347 ( -0.000 0.000 -0.000) 0.000 2.427 ( -0.000 0.000 0.000) 0.000 2.464 ( -0.000 0.000 0.000) 0.000 2.928 ( 0.000 0.000 0.000) 0.000 2.944 ( -0.000 0.000 0.000) 0.000 3.593 ( -0.000 0.000 0.000) 0.000 3.609 ( -0.000 0.000 0.000) 0.000 4.460 ( -0.000 0.000 0.000) 0.000 4.514 ( -0.000 0.000 0.000) 0.000 4.688 ( -0.000 0.000 0.000) 0.000 4.699 ( -0.000 0.000 0.000) 0.000 4.730 ( -0.000 0.000 0.000) 0.000 4.775 ( -0.000 0.000 0.000) 0.000 4.852 ( -0.000 0.000 0.000) 0.000 4.863 ( -0.000 0.000 0.000) 0.000 6.691 ( -0.000 0.000 0.000) 0.000 6.705 ( -0.000 0.000 0.000) 0.000 6.750 ( -0.000 -0.000 0.000) 0.000 6.794 ( -0.000 0.000 0.000) 0.000 7.362 ( -0.000 0.000 0.000) 0.000 7.394 ( -0.000 0.000 0.000) 0.000 7.947 ( -0.000 0.000 0.000) 0.000 7.950 ( -0.000 0.000 0.000) 0.000 12.390 ( -0.000 0.000 0.000) 0.000 12.436 ( -0.000 0.000 -0.000) 0.000 12.458 ( -0.000 0.000 0.000) 0.000 12.584 ( -0.000 0.000 -0.000) 0.000 12.601 ( -0.000 -0.000 0.000) 0.000 12.856 ( -0.000 -0.000 -0.000) 0.000 12.876 ( 0.000 0.000 0.000) 0.000 12.898 ( -0.000 0.000 0.000) 0.000 ======================= Grid point 12 (7/171) ======================= q-point: ( 0.10 0.10 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 1.10e-04 1.10e-04 3.67e-09 3.67e-09 Number of triplets: 165 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.092 ( 0.000 0.000 10.790) 10.790 0.104 ( 0.000 0.000 12.254) 12.254 0.218 ( 0.000 0.000 25.727) 25.727 0.628 ( -0.000 -0.000 -1.551) 1.551 0.826 ( -0.000 -0.000 -3.977) 3.977 1.355 ( 0.000 0.000 2.538) 2.538 1.396 ( 0.000 0.000 0.049) 0.049 1.566 ( -0.000 -0.000 -5.423) 5.423 1.672 ( -0.000 -0.000 -0.920) 0.920 1.697 ( 0.000 0.000 0.745) 0.745 1.927 ( -0.000 -0.000 -1.447) 1.447 2.028 ( 0.000 0.000 0.160) 0.160 2.068 ( -0.000 -0.000 -1.560) 1.560 2.103 ( 0.000 0.000 0.769) 0.769 2.113 ( -0.000 -0.000 -2.633) 2.633 2.270 ( -0.000 -0.000 -2.171) 2.171 2.327 ( 0.000 0.000 3.225) 3.225 2.381 ( 0.000 0.000 3.092) 3.092 2.439 ( -0.000 -0.000 -0.032) 0.032 2.583 ( -0.000 -0.000 -0.469) 0.469 2.889 ( 0.000 0.000 0.099) 0.099 2.895 ( 0.000 0.000 0.015) 0.015 2.974 ( 0.000 0.000 0.281) 0.281 3.014 ( -0.000 -0.000 -0.197) 0.197 4.338 ( 0.000 0.000 0.071) 0.071 4.351 ( -0.000 -0.000 -0.078) 0.078 4.379 ( 0.000 0.000 0.886) 0.886 4.539 ( -0.000 -0.000 -1.043) 1.043 4.889 ( 0.000 0.000 0.334) 0.334 4.944 ( -0.000 -0.000 -0.329) 0.329 5.707 ( 0.000 0.000 0.114) 0.114 5.735 ( -0.000 -0.000 -0.218) 0.218 6.660 ( 0.000 0.000 0.016) 0.016 6.662 ( -0.000 -0.000 -0.002) 0.002 6.695 ( 0.000 0.000 0.020) 0.020 6.698 ( -0.000 -0.000 -0.018) 0.018 7.317 ( 0.000 0.000 0.007) 0.007 7.318 ( -0.000 -0.000 -0.009) 0.009 7.814 ( -0.000 -0.000 -0.005) 0.005 7.817 ( -0.000 -0.000 -0.034) 0.034 12.167 ( 0.000 0.000 0.454) 0.454 12.331 ( -0.000 -0.000 -3.450) 3.450 12.399 ( 0.000 0.000 3.179) 3.179 12.564 ( -0.000 -0.000 -0.731) 0.731 12.802 ( -0.000 -0.000 -0.031) 0.031 12.829 ( -0.000 -0.000 -0.397) 0.397 12.890 ( 0.000 0.000 0.177) 0.177 12.937 ( -0.000 -0.000 -0.439) 0.439 ======================= Grid point 13 (8/171) ======================= q-point: ( 0.20 0.10 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 1.10e-04 1.10e-04 3.67e-09 3.67e-09 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.365 ( -8.538 2.116 15.532) 17.849 0.430 ( -15.331 6.876 6.813) 18.131 0.829 ( -27.831 4.962 -1.341) 28.302 0.893 ( -20.084 1.029 -0.068) 20.111 0.989 ( -24.437 5.531 -1.130) 25.081 1.444 ( 1.222 -1.132 -5.043) 5.311 1.461 ( -7.134 0.270 1.408) 7.277 1.497 ( -6.594 -0.786 -1.492) 6.806 1.671 ( 0.124 -0.621 -0.316) 0.708 1.693 ( 0.848 1.468 1.547) 2.295 1.937 ( -0.164 -4.075 -3.760) 5.547 1.991 ( -1.785 1.804 -2.222) 3.373 2.096 ( -4.448 0.702 2.243) 5.031 2.125 ( -0.782 -1.278 3.281) 3.607 2.163 ( -5.124 0.801 -2.371) 5.703 2.262 ( -0.807 0.061 0.264) 0.851 2.271 ( 0.272 -4.743 0.882) 4.832 2.384 ( 1.763 -0.589 0.837) 2.038 2.398 ( 2.745 3.590 0.131) 4.521 2.477 ( 4.767 3.332 3.344) 6.709 2.794 ( 8.044 -0.176 0.017) 8.046 2.815 ( 7.395 1.836 1.099) 7.699 2.904 ( 8.003 -0.079 1.299) 8.109 2.946 ( 7.724 0.194 -0.155) 7.728 4.383 ( -4.524 -0.761 0.332) 4.599 4.388 ( -5.061 -0.325 0.211) 5.075 4.436 ( -4.945 0.530 1.001) 5.073 4.558 ( -2.481 -0.061 -1.153) 2.736 4.861 ( 3.040 -0.259 0.328) 3.069 4.908 ( 3.420 -0.592 -0.461) 3.501 5.662 ( 5.182 0.173 0.153) 5.187 5.684 ( 5.534 -0.006 -0.234) 5.539 6.618 ( 0.009 -0.405 1.167) 1.236 6.650 ( 0.878 0.628 0.022) 1.080 6.704 ( -0.686 0.063 0.385) 0.789 6.729 ( -2.159 0.294 -0.110) 2.182 7.324 ( -0.522 0.068 0.210) 0.567 7.409 ( -2.570 -1.671 -3.017) 4.301 7.824 ( -1.105 -0.032 0.033) 1.106 7.831 ( -1.511 -0.071 -0.086) 1.515 12.320 ( -2.971 -2.984 -2.231) 4.765 12.403 ( -4.428 -1.517 -3.662) 5.943 12.444 ( -1.694 2.588 -1.426) 3.406 12.553 ( 1.011 0.991 -1.193) 1.851 12.779 ( 1.181 -6.056 0.135) 6.171 12.873 ( -1.383 3.560 -2.513) 4.572 12.893 ( -0.256 0.238 0.097) 0.363 12.927 ( 0.821 -0.041 -0.550) 0.989 ======================= Grid point 14 (9/171) ======================= q-point: ( 0.30 0.10 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 1.10e-04 1.10e-04 3.67e-09 3.67e-09 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.619 ( -10.386 4.776 11.217) 16.016 0.769 ( -14.573 3.662 3.417) 15.409 1.014 ( -9.368 1.408 -4.456) 10.469 1.254 ( -0.867 0.710 -6.807) 6.898 1.382 ( -3.322 0.603 1.781) 3.817 1.487 ( -18.337 2.302 3.626) 18.833 1.616 ( -1.417 0.180 -1.994) 2.453 1.622 ( -3.737 0.848 -1.611) 4.157 1.725 ( -9.545 0.914 3.360) 10.160 1.838 ( -11.693 -3.224 0.520) 12.140 1.910 ( -5.264 -0.082 -3.238) 6.180 2.037 ( -2.064 2.781 -3.134) 4.671 2.105 ( 2.156 0.566 3.200) 3.900 2.174 ( 4.201 -1.193 -0.872) 4.454 2.265 ( -10.366 2.057 1.810) 10.722 2.275 ( -1.063 0.556 0.530) 1.312 2.350 ( -5.915 0.474 -2.370) 6.389 2.359 ( -2.649 1.912 -0.489) 3.303 2.441 ( -5.944 -0.806 0.429) 6.014 2.474 ( -9.738 -3.095 0.422) 10.226 2.611 ( 11.121 1.112 -0.111) 11.177 2.678 ( 8.794 0.863 0.727) 8.866 2.729 ( 10.116 -0.549 1.606) 10.258 2.758 ( 11.724 -0.733 0.338) 11.752 4.480 ( -6.170 -0.906 0.303) 6.244 4.498 ( -6.664 -0.514 -0.009) 6.683 4.548 ( -6.036 0.330 0.591) 6.073 4.610 ( -3.381 0.088 -0.918) 3.505 4.782 ( 5.390 -0.401 0.563) 5.434 4.816 ( 5.685 -0.805 -0.392) 5.755 5.522 ( 10.436 0.091 0.108) 10.437 5.534 ( 10.845 -0.097 -0.165) 10.846 6.632 ( -1.124 0.025 0.126) 1.131 6.649 ( -0.152 0.848 0.182) 0.881 6.721 ( -0.893 0.035 0.675) 1.119 6.767 ( -2.009 -0.395 -0.456) 2.098 7.338 ( -0.711 -0.084 0.665) 0.977 7.413 ( -0.480 -1.174 -1.447) 1.925 7.855 ( -2.086 0.228 0.128) 2.102 7.865 ( -2.230 0.054 -0.150) 2.236 12.346 ( -1.932 -0.734 -0.128) 2.071 12.436 ( -1.764 -1.445 -2.170) 3.148 12.477 ( -1.207 0.768 0.391) 1.483 12.534 ( 1.303 1.654 -1.729) 2.724 12.713 ( 1.219 -5.739 1.249) 5.999 12.882 ( 0.427 0.566 -1.224) 1.415 12.906 ( 0.694 0.076 -0.389) 0.799 12.910 ( 0.575 2.535 0.148) 2.603 ======================= Grid point 15 (10/171) ======================= q-point: ( 0.40 0.10 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 1.10e-04 1.10e-04 3.67e-09 3.67e-09 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.895 ( -11.849 4.188 6.398) 14.102 1.027 ( -11.179 -0.370 1.277) 11.257 1.169 ( -9.125 -1.204 -2.875) 9.643 1.236 ( -2.800 0.365 -6.168) 6.783 1.457 ( -2.548 -0.103 2.138) 3.327 1.602 ( 1.577 1.365 -0.488) 2.142 1.622 ( 0.012 -0.108 2.479) 2.482 1.674 ( -3.105 -0.173 4.671) 5.611 1.816 ( -0.278 -2.290 -4.051) 4.661 1.895 ( 3.885 -2.434 0.004) 4.585 1.978 ( -4.174 0.675 2.446) 4.885 2.013 ( 7.369 2.467 -0.741) 7.807 2.042 ( 6.576 3.789 -1.889) 7.821 2.161 ( -0.209 1.030 -3.445) 3.602 2.222 ( 6.881 0.461 1.890) 7.151 2.303 ( 7.362 0.259 -1.827) 7.590 2.383 ( 5.841 1.779 1.036) 6.193 2.459 ( 5.022 1.625 0.173) 5.282 2.511 ( 1.629 -2.572 0.174) 3.050 2.538 ( 0.994 -1.746 0.097) 2.011 2.594 ( -3.620 0.611 2.365) 4.367 2.653 ( -9.350 2.168 -0.097) 9.598 2.819 ( -29.422 0.426 0.575) 29.431 2.871 ( -27.864 -1.479 -0.892) 27.917 4.577 ( -4.650 -1.024 0.226) 4.767 4.597 ( -3.076 -0.729 -0.288) 3.175 4.636 ( 1.214 -0.300 -0.683) 1.425 4.643 ( -3.157 0.012 -0.986) 3.307 4.693 ( 3.823 -0.511 0.918) 3.965 4.719 ( 0.879 0.274 0.911) 1.295 5.292 ( 14.709 -0.037 0.009) 14.709 5.295 ( 15.051 -0.133 -0.081) 15.052 6.655 ( -1.171 0.516 -0.185) 1.294 6.668 ( -1.021 0.925 0.144) 1.386 6.739 ( -0.700 -0.168 0.994) 1.227 6.789 ( -1.165 -0.806 -0.818) 1.636 7.352 ( -0.592 -0.205 0.872) 1.074 7.403 ( -0.009 -0.980 -1.042) 1.431 7.898 ( -2.221 0.383 0.136) 2.258 7.906 ( -2.036 0.205 -0.124) 2.051 12.375 ( -1.117 0.191 0.941) 1.473 12.436 ( -0.479 -1.498 -0.523) 1.658 12.484 ( 0.431 -0.577 -1.487) 1.652 12.532 ( -0.163 2.656 -1.447) 3.029 12.666 ( 0.612 -4.538 2.443) 5.190 12.867 ( 0.491 -0.327 -1.361) 1.483 12.892 ( 0.928 0.782 0.123) 1.220 12.915 ( 1.048 1.662 0.530) 2.035 ======================= Grid point 16 (11/171) ======================= q-point: ( 0.50 0.10 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 1.10e-04 1.10e-04 3.67e-09 3.67e-09 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.134 ( -9.465 0.760 1.157) 9.566 1.182 ( -8.059 -2.761 -1.121) 8.592 1.285 ( -4.863 -1.576 -0.123) 5.113 1.328 ( -8.454 -1.312 -1.288) 8.651 1.480 ( -0.414 -0.491 -1.185) 1.348 1.584 ( 1.287 2.294 2.047) 3.333 1.652 ( -1.460 0.919 3.757) 4.134 1.720 ( 2.450 0.521 2.961) 3.879 1.762 ( 1.071 0.445 0.577) 1.295 1.814 ( 3.725 0.102 0.812) 3.814 1.895 ( 7.982 1.167 -1.804) 8.266 1.924 ( 4.867 0.479 -1.816) 5.217 1.991 ( 2.761 0.592 -3.191) 4.261 2.015 ( 11.277 -0.115 -2.431) 11.537 2.088 ( 4.307 -1.082 -0.034) 4.441 2.250 ( 0.172 3.900 1.732) 4.271 2.300 ( 6.371 0.431 1.721) 6.613 2.395 ( 2.999 -2.930 -2.264) 4.765 2.410 ( 0.735 0.633 0.928) 1.342 2.487 ( 1.003 -2.028 0.506) 2.318 2.822 ( -10.310 1.471 0.950) 10.457 2.854 ( -8.849 1.277 -0.533) 8.956 3.342 ( -24.486 0.220 0.541) 24.493 3.363 ( -24.049 -0.441 -0.513) 24.059 4.516 ( 5.162 -0.936 -0.313) 5.255 4.560 ( 4.237 -0.437 -0.157) 4.262 4.665 ( -2.291 -0.042 0.062) 2.292 4.678 ( -2.526 -0.186 -0.075) 2.534 4.709 ( -2.399 -0.776 -0.214) 2.531 4.758 ( -1.680 0.716 0.755) 1.977 5.011 ( 14.689 -0.127 -0.107) 14.690 5.017 ( 14.302 0.044 0.007) 14.302 6.679 ( -0.904 0.725 0.065) 1.160 6.692 ( -0.884 0.528 -0.330) 1.081 6.752 ( -0.262 -0.165 1.144) 1.185 6.792 ( -0.381 -0.785 -0.869) 1.231 7.362 ( -0.253 -0.209 0.635) 0.715 7.394 ( -0.067 -0.536 -0.652) 0.847 7.934 ( -1.312 0.162 -0.021) 1.322 7.938 ( -1.259 0.266 0.037) 1.287 12.391 ( -0.193 -0.115 0.757) 0.790 12.435 ( -0.450 -0.823 0.052) 0.940 12.462 ( 0.444 -0.488 -0.775) 1.018 12.551 ( -0.168 3.180 -2.193) 3.867 12.639 ( 0.363 -3.802 2.617) 4.630 12.854 ( -0.084 -0.655 -1.071) 1.258 12.884 ( 0.759 0.835 0.604) 1.279 12.905 ( 0.992 0.710 0.132) 1.227 ======================= Grid point 17 (12/171) ======================= q-point: (-0.40 0.10 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 1.10e-04 1.10e-04 3.67e-09 3.67e-09 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.240 ( -1.315 0.000 -0.853) 1.568 1.279 ( -4.632 -1.386 -1.405) 5.034 1.298 ( 4.187 0.211 0.645) 4.241 1.386 ( 0.909 0.267 4.492) 4.591 1.522 ( -0.738 0.560 -4.411) 4.508 1.594 ( 0.271 -0.174 1.493) 1.527 1.661 ( 2.755 0.751 0.115) 2.858 1.685 ( 1.637 1.333 -2.108) 2.984 1.726 ( 2.075 -1.484 2.278) 3.420 1.756 ( 0.766 -0.867 -0.345) 1.207 1.819 ( -1.702 -0.866 -0.535) 1.983 1.865 ( -0.254 0.556 -0.605) 0.860 1.911 ( -3.272 0.569 2.557) 4.191 1.994 ( -2.641 -0.100 -1.091) 2.860 2.047 ( -0.062 -0.533 -0.678) 0.864 2.222 ( 1.801 0.384 1.140) 2.166 2.276 ( 0.716 -2.260 0.159) 2.376 2.340 ( -0.620 1.534 -1.402) 2.169 2.431 ( -0.182 1.425 0.769) 1.629 2.463 ( 0.451 -0.687 -0.228) 0.852 2.928 ( 0.352 -0.178 0.022) 0.395 2.944 ( -0.353 -0.193 -0.015) 0.402 3.593 ( 0.240 -0.151 0.012) 0.284 3.609 ( -0.178 0.158 -0.014) 0.238 4.460 ( -0.330 -0.286 0.040) 0.438 4.513 ( 0.158 0.396 -0.049) 0.429 4.687 ( 0.139 0.125 -0.145) 0.237 4.700 ( -0.068 -0.062 0.182) 0.204 4.730 ( -0.430 -0.541 -0.017) 0.691 4.775 ( 0.587 0.332 0.002) 0.675 4.852 ( -0.150 -0.080 -0.031) 0.173 4.863 ( 0.005 0.019 0.019) 0.027 6.692 ( 0.042 -0.217 0.108) 0.246 6.704 ( -0.304 0.221 -0.156) 0.407 6.750 ( 0.535 -0.492 0.069) 0.730 6.794 ( -0.271 0.498 -0.021) 0.567 7.362 ( 0.203 -0.187 0.000) 0.277 7.394 ( -0.217 0.156 -0.000) 0.267 7.947 ( -0.061 -0.039 -0.001) 0.072 7.950 ( 0.059 0.013 0.001) 0.061 12.392 ( -0.011 -0.496 0.528) 0.725 12.425 ( 0.052 -1.121 -1.848) 2.162 12.472 ( -0.472 1.046 2.409) 2.668 12.567 ( -0.105 3.487 -2.692) 4.407 12.613 ( 0.659 -3.225 1.688) 3.699 12.854 ( -0.896 -0.809 -0.448) 1.287 12.880 ( 0.617 0.457 0.650) 1.007 12.897 ( 0.039 0.055 -0.287) 0.295 ======================= Grid point 18 (13/171) ======================= q-point: (-0.30 0.10 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 1.10e-04 1.10e-04 3.67e-09 3.67e-09 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.117 ( 12.978 -2.509 -0.634) 13.234 1.191 ( 7.941 3.118 0.168) 8.533 1.286 ( 4.003 3.325 0.041) 5.204 1.368 ( 5.354 1.402 2.334) 6.007 1.505 ( 1.478 -0.001 1.266) 1.946 1.546 ( -2.267 -2.932 -1.248) 3.911 1.600 ( 0.931 -2.155 -2.298) 3.285 1.653 ( 1.853 -0.230 -3.623) 4.076 1.760 ( -4.569 0.511 0.511) 4.625 1.803 ( -4.920 -0.279 -0.566) 4.960 1.931 ( -6.443 -0.371 1.710) 6.676 1.944 ( -5.275 -0.326 0.290) 5.293 2.045 ( -4.823 -0.206 2.531) 5.451 2.058 ( -9.017 -1.349 2.028) 9.340 2.081 ( -4.989 -0.197 -0.974) 5.087 2.221 ( -1.711 -5.165 -0.993) 5.531 2.276 ( -5.097 1.120 -1.102) 5.334 2.389 ( -1.755 2.271 -0.792) 2.977 2.432 ( -0.544 0.638 1.411) 1.641 2.475 ( -1.122 2.271 -0.676) 2.621 2.810 ( 10.828 -1.952 -0.365) 11.009 2.859 ( 8.526 -1.596 0.131) 8.675 3.336 ( 24.616 -0.351 -0.203) 24.619 3.369 ( 23.867 0.717 0.185) 23.878 4.521 ( -5.570 0.473 0.272) 5.597 4.561 ( -4.186 1.109 0.013) 4.331 4.662 ( 2.383 0.270 -0.187) 2.405 4.681 ( 2.413 0.123 0.157) 2.421 4.717 ( 1.706 -0.246 0.625) 1.833 4.743 ( 2.722 -0.196 -0.915) 2.878 5.013 ( -14.701 0.031 0.075) 14.701 5.017 ( -14.308 -0.029 -0.014) 14.308 6.679 ( 0.668 -0.926 0.040) 1.143 6.697 ( 1.115 -0.615 0.154) 1.283 6.737 ( 0.385 0.064 -0.519) 0.650 6.803 ( 0.300 1.177 0.319) 1.256 7.354 ( 0.490 -0.032 -0.259) 0.556 7.402 ( -0.237 0.724 0.270) 0.808 7.935 ( 1.441 -0.256 0.021) 1.463 7.937 ( 1.128 -0.197 -0.030) 1.145 12.384 ( 0.407 -1.165 -0.130) 1.240 12.420 ( -0.546 0.516 -0.762) 1.070 12.500 ( -0.530 0.688 2.401) 2.553 12.580 ( 0.632 -2.594 0.923) 2.825 12.589 ( -0.036 4.216 -2.588) 4.947 12.869 ( -1.448 -0.962 0.319) 1.767 12.878 ( -0.232 -0.063 0.188) 0.305 12.899 ( -0.431 -0.304 -0.427) 0.679 ======================= Grid point 19 (14/171) ======================= q-point: (-0.20 0.10 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 1.10e-04 1.10e-04 3.67e-09 3.67e-09 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.823 ( 14.828 -5.345 -1.575) 15.841 1.013 ( 12.727 0.267 -0.284) 12.733 1.204 ( 7.641 2.245 0.787) 8.003 1.318 ( 1.244 0.439 2.394) 2.734 1.422 ( 3.826 -1.744 -1.256) 4.388 1.580 ( 1.544 0.454 -1.337) 2.093 1.605 ( 0.583 -0.054 -0.247) 0.635 1.632 ( -4.262 -1.397 -0.346) 4.499 1.857 ( -2.746 2.978 0.756) 4.121 1.896 ( -4.620 2.144 0.088) 5.094 1.952 ( 6.286 -1.329 -0.519) 6.446 2.014 ( -4.007 -1.452 -0.054) 4.263 2.078 ( -3.605 -4.755 1.146) 6.076 2.191 ( -5.301 -0.567 -0.523) 5.357 2.205 ( -4.264 -0.147 0.581) 4.306 2.334 ( -1.723 -0.754 1.482) 2.395 2.360 ( -11.892 -2.259 -1.350) 12.179 2.455 ( -7.713 -0.009 -0.152) 7.714 2.518 ( -2.341 3.005 0.719) 3.876 2.531 ( 6.110 -0.679 -0.662) 6.183 2.564 ( 0.028 0.066 -0.746) 0.749 2.652 ( 10.427 -2.407 -0.046) 10.701 2.813 ( 29.135 -0.767 -0.117) 29.145 2.881 ( 27.865 2.041 0.222) 27.940 4.575 ( 4.774 0.867 -0.064) 4.852 4.601 ( 3.689 0.746 0.075) 3.764 4.648 ( 1.033 0.354 0.387) 1.158 4.663 ( 0.841 -0.148 1.246) 1.510 4.674 ( -1.459 0.183 -1.274) 1.945 4.706 ( -3.926 0.167 -0.401) 3.950 5.292 ( -14.683 -0.017 0.001) 14.683 5.296 ( -15.077 0.136 0.021) 15.078 6.660 ( 0.765 -0.881 0.227) 1.189 6.664 ( 1.570 -0.734 -0.222) 1.748 6.728 ( 0.550 0.095 -0.221) 0.600 6.798 ( 1.312 0.990 0.175) 1.653 7.343 ( 0.600 0.051 -0.187) 0.631 7.414 ( -0.210 1.144 0.241) 1.188 7.897 ( 2.261 -0.410 -0.030) 2.298 7.907 ( 1.997 -0.146 0.026) 2.003 12.365 ( 0.764 -0.638 -0.190) 1.013 12.439 ( -0.749 1.344 0.005) 1.538 12.508 ( 1.072 -0.286 0.652) 1.287 12.554 ( -0.168 -2.351 0.687) 2.455 12.631 ( -1.013 5.824 -1.076) 6.009 12.889 ( -0.646 0.507 0.599) 1.016 12.891 ( -1.746 -1.996 0.475) 2.694 12.902 ( -0.532 -0.705 -0.903) 1.263 ======================= Grid point 20 (15/171) ======================= q-point: (-0.10 0.10 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 1.10e-04 1.10e-04 3.67e-09 3.67e-09 Number of triplets: 280 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.511 ( 13.696 -6.824 0.000) 15.302 0.740 ( 15.883 -3.532 0.000) 16.271 1.057 ( 8.646 -1.067 0.000) 8.712 1.315 ( 7.744 -2.394 0.000) 8.106 1.366 ( -4.933 0.996 -0.000) 5.032 1.444 ( 16.866 -1.403 0.000) 16.924 1.627 ( -2.404 -0.206 -0.000) 2.413 1.669 ( 18.277 -2.527 0.000) 18.451 1.674 ( -0.444 -0.127 0.000) 0.462 1.829 ( 15.532 1.989 0.000) 15.659 1.978 ( -1.962 3.014 -0.000) 3.596 2.004 ( 2.478 -3.126 0.000) 3.989 2.099 ( 0.768 -3.903 0.000) 3.978 2.189 ( 1.256 5.512 -0.000) 5.653 2.246 ( 7.331 -2.194 0.000) 7.652 2.271 ( -0.507 -3.378 0.000) 3.416 2.360 ( 1.987 -0.887 0.000) 2.176 2.374 ( 4.896 -2.231 0.000) 5.380 2.438 ( 7.662 -0.227 0.000) 7.665 2.464 ( 10.381 6.267 -0.000) 12.125 2.626 ( -9.000 -3.290 0.000) 9.582 2.655 ( -10.229 -0.597 -0.000) 10.246 2.717 ( -9.546 0.971 -0.000) 9.595 2.754 ( -12.179 0.731 -0.000) 12.201 4.476 ( 6.166 0.789 0.000) 6.216 4.497 ( 6.814 0.566 0.000) 6.837 4.543 ( 6.401 -0.534 0.000) 6.423 4.619 ( 3.275 0.035 0.000) 3.275 4.776 ( -5.657 0.354 -0.000) 5.668 4.819 ( -5.828 0.879 -0.000) 5.894 5.521 ( -10.392 -0.125 -0.000) 10.392 5.535 ( -10.885 0.152 -0.000) 10.886 6.631 ( 1.463 -0.256 0.000) 1.485 6.647 ( 0.036 -0.755 0.000) 0.756 6.715 ( 0.772 -0.160 0.000) 0.788 6.771 ( 2.195 0.481 0.000) 2.247 7.332 ( 0.553 -0.026 0.000) 0.554 7.427 ( 0.092 1.519 -0.000) 1.522 7.854 ( 2.063 -0.228 0.000) 2.075 7.867 ( 2.252 0.002 0.000) 2.252 12.348 ( 1.063 0.728 -0.000) 1.288 12.452 ( 1.474 0.733 -0.000) 1.647 12.475 ( 0.736 -0.105 0.000) 0.744 12.555 ( -1.131 -1.814 0.000) 2.138 12.700 ( -1.518 6.756 -0.000) 6.924 12.896 ( 0.192 -0.161 0.000) 0.251 12.907 ( -1.397 -2.932 0.000) 3.248 12.910 ( -1.165 0.184 -0.000) 1.179 ======================= Grid point 23 (16/171) ======================= q-point: ( 0.20 0.20 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 1.10e-04 1.10e-04 3.67e-09 3.67e-09 Number of triplets: 171 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.182 ( 0.000 0.000 10.401) 10.401 0.206 ( 0.000 0.000 11.858) 11.858 0.434 ( 0.000 0.000 25.446) 25.446 0.609 ( -0.000 -0.000 -3.009) 3.009 0.779 ( -0.000 -0.000 -6.878) 6.878 1.382 ( 0.000 0.000 3.559) 3.559 1.397 ( 0.000 0.000 0.363) 0.363 1.496 ( -0.000 -0.000 -11.148) 11.148 1.663 ( -0.000 -0.000 -0.994) 0.994 1.704 ( 0.000 0.000 0.877) 0.877 1.916 ( -0.000 -0.000 -0.763) 0.763 2.028 ( -0.000 -0.000 -0.274) 0.274 2.049 ( -0.000 -0.000 -2.845) 2.845 2.085 ( -0.000 -0.000 -3.900) 3.900 2.114 ( 0.000 0.000 1.858) 1.858 2.252 ( -0.000 -0.000 -2.189) 2.189 2.355 ( 0.000 0.000 3.340) 3.340 2.414 ( 0.000 0.000 4.592) 4.592 2.438 ( -0.000 -0.000 -0.164) 0.164 2.577 ( -0.000 -0.000 -1.015) 1.015 2.890 ( 0.000 0.000 0.167) 0.167 2.895 ( 0.000 0.000 0.014) 0.014 2.977 ( 0.000 0.000 0.527) 0.527 3.012 ( -0.000 -0.000 -0.392) 0.392 4.339 ( 0.000 0.000 0.137) 0.137 4.350 ( -0.000 -0.000 -0.147) 0.147 4.390 ( 0.000 0.000 1.709) 1.709 4.526 ( -0.000 -0.000 -1.964) 1.964 4.893 ( 0.000 0.000 0.635) 0.635 4.940 ( -0.000 -0.000 -0.626) 0.626 5.709 ( 0.000 0.000 0.233) 0.233 5.732 ( -0.000 -0.000 -0.401) 0.401 6.661 ( 0.000 0.000 0.029) 0.029 6.662 ( -0.000 -0.000 -0.007) 0.007 6.695 ( 0.000 0.000 0.037) 0.037 6.697 ( -0.000 -0.000 -0.035) 0.035 7.317 ( 0.000 0.000 0.013) 0.013 7.318 ( -0.000 -0.000 -0.016) 0.016 7.814 ( -0.000 -0.000 -0.005) 0.005 7.816 ( -0.000 -0.000 -0.059) 0.059 12.173 ( 0.000 0.000 0.943) 0.943 12.301 ( -0.000 -0.000 -3.644) 3.644 12.426 ( 0.000 0.000 3.205) 3.205 12.555 ( -0.000 -0.000 -1.393) 1.393 12.802 ( -0.000 -0.000 -0.009) 0.009 12.824 ( -0.000 -0.000 -0.665) 0.665 12.892 ( 0.000 0.000 0.344) 0.344 12.932 ( -0.000 -0.000 -0.787) 0.787 ======================= Grid point 24 (17/171) ======================= q-point: ( 0.30 0.20 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 1.10e-04 1.10e-04 3.67e-09 3.67e-09 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.462 ( -14.533 2.217 8.127) 16.798 0.540 ( -6.340 4.356 17.440) 19.061 0.802 ( -12.942 3.112 -4.953) 14.202 0.907 ( -32.347 2.519 3.226) 32.605 0.976 ( -25.566 5.984 -1.805) 26.319 1.383 ( 3.682 -0.418 -9.210) 9.928 1.474 ( -7.357 -0.200 0.500) 7.376 1.484 ( -8.324 0.291 -0.749) 8.362 1.672 ( -1.153 -0.847 0.547) 1.532 1.707 ( -0.349 1.046 1.735) 2.056 1.909 ( 0.990 -5.258 -2.886) 6.079 1.972 ( -0.775 2.050 -2.061) 3.008 2.106 ( -6.379 -0.254 0.097) 6.384 2.130 ( -5.171 0.556 -1.383) 5.381 2.161 ( -2.293 -0.583 1.589) 2.850 2.254 ( 0.054 0.593 -1.695) 1.797 2.285 ( 1.779 -4.111 1.926) 4.876 2.386 ( 8.335 6.140 0.298) 10.356 2.414 ( -1.339 -4.128 2.649) 5.085 2.501 ( 4.793 2.726 2.170) 5.925 2.796 ( 8.180 -0.843 0.378) 8.232 2.823 ( 7.248 1.721 0.682) 7.480 2.915 ( 7.647 -0.166 1.338) 7.765 2.944 ( 7.495 0.107 -0.242) 7.499 4.385 ( -4.676 -0.854 0.211) 4.758 4.390 ( -4.890 -0.289 0.225) 4.904 4.447 ( -4.730 0.406 1.662) 5.030 4.546 ( -2.770 -0.018 -1.858) 3.336 4.865 ( 3.077 -0.332 0.626) 3.158 4.903 ( 3.387 -0.569 -0.721) 3.510 5.664 ( 5.211 0.174 0.260) 5.220 5.681 ( 5.501 0.075 -0.374) 5.514 6.628 ( 0.496 -0.702 0.938) 1.273 6.650 ( 0.865 0.690 0.032) 1.107 6.707 ( -0.932 -0.152 0.485) 1.061 6.728 ( -2.030 0.348 -0.168) 2.066 7.326 ( -0.777 -0.019 0.365) 0.859 7.384 ( -3.157 -0.670 -2.748) 4.239 7.824 ( -1.146 -0.029 0.062) 1.148 7.830 ( -1.470 -0.050 -0.132) 1.477 12.300 ( -4.211 -2.588 -2.300) 5.451 12.356 ( -6.562 0.855 -5.587) 8.661 12.452 ( -0.700 1.477 2.107) 2.667 12.542 ( 1.038 0.899 -1.529) 2.055 12.780 ( 1.057 -5.115 0.045) 5.223 12.855 ( -1.637 3.583 -1.732) 4.303 12.894 ( -0.101 0.172 0.239) 0.312 12.921 ( 0.740 0.023 -0.767) 1.066 ======================= Grid point 25 (18/171) ======================= q-point: ( 0.40 0.20 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 1.10e-04 1.10e-04 3.67e-09 3.67e-09 Number of triplets: 504 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.722 ( -8.710 2.745 12.525) 15.501 0.806 ( -12.352 4.152 5.465) 14.131 0.973 ( -10.128 1.569 -5.255) 11.517 1.184 ( -0.039 0.945 -9.712) 9.758 1.402 ( -5.691 0.742 2.913) 6.436 1.509 ( -18.053 2.883 1.171) 18.319 1.596 ( -3.639 0.463 -1.850) 4.109 1.618 ( -3.502 0.549 0.120) 3.546 1.753 ( -6.935 -0.718 3.192) 7.668 1.839 ( -8.830 -3.353 -0.053) 9.446 1.889 ( -10.471 0.825 -1.793) 10.656 2.005 ( -1.829 2.781 -3.976) 5.185 2.121 ( 3.900 -0.637 0.187) 3.956 2.179 ( 5.892 0.861 2.180) 6.341 2.276 ( -7.464 0.500 0.730) 7.516 2.285 ( -5.237 1.270 2.022) 5.756 2.328 ( -7.065 -0.155 -2.716) 7.571 2.352 ( -4.639 2.188 -1.169) 5.261 2.445 ( -3.461 -1.385 0.527) 3.765 2.475 ( -8.347 -1.217 -0.130) 8.436 2.615 ( 10.570 -0.196 0.901) 10.610 2.680 ( 9.046 0.505 -0.175) 9.062 2.744 ( 10.201 -0.221 1.704) 10.345 2.761 ( 11.333 -0.702 0.319) 11.359 4.482 ( -6.216 -1.013 0.284) 6.304 4.497 ( -6.526 -0.455 -0.031) 6.541 4.554 ( -5.576 0.073 0.819) 5.637 4.601 ( -3.637 0.270 -1.096) 3.808 4.787 ( 5.224 -0.460 0.698) 5.291 4.812 ( 5.533 -0.720 -0.550) 5.607 5.523 ( 10.492 0.049 0.158) 10.493 5.532 ( 10.790 -0.037 -0.216) 10.792 6.633 ( -0.897 -0.120 0.100) 0.911 6.650 ( -0.212 0.887 0.164) 0.927 6.728 ( -1.062 -0.126 0.883) 1.387 6.763 ( -1.784 -0.274 -0.643) 1.916 7.344 ( -0.893 -0.237 0.962) 1.334 7.400 ( -0.721 -0.831 -1.705) 2.029 7.856 ( -2.110 0.224 0.184) 2.130 7.864 ( -2.210 0.105 -0.209) 2.222 12.346 ( -2.772 -0.873 0.106) 2.908 12.414 ( -2.637 -1.130 -2.664) 3.916 12.481 ( -0.589 0.698 0.663) 1.129 12.521 ( 1.344 1.628 -1.412) 2.540 12.723 ( 0.846 -5.178 1.113) 5.364 12.872 ( 0.471 0.570 -1.098) 1.324 12.903 ( 0.629 0.267 -0.367) 0.775 12.911 ( 0.186 2.526 0.046) 2.533 ======================= Grid point 26 (19/171) ======================= q-point: ( 0.50 0.20 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 1.10e-04 1.10e-04 3.67e-09 3.67e-09 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.953 ( -9.488 3.229 7.171) 12.323 1.038 ( -9.571 -0.372 1.364) 9.674 1.145 ( -10.367 -0.675 -2.866) 10.777 1.182 ( -4.459 0.784 -6.335) 7.787 1.473 ( -1.564 -0.796 1.576) 2.359 1.595 ( 0.675 2.322 -0.931) 2.591 1.649 ( -1.473 -0.768 3.802) 4.149 1.713 ( -3.651 -0.497 4.206) 5.592 1.777 ( -1.428 -2.410 -4.970) 5.705 1.895 ( 3.813 -2.220 0.068) 4.412 1.993 ( 5.467 3.230 -0.811) 6.402 2.008 ( 0.133 0.869 1.595) 1.821 2.034 ( 7.842 2.623 -0.149) 8.270 2.130 ( -1.050 1.514 -3.654) 4.093 2.238 ( 6.614 0.378 1.752) 6.852 2.288 ( 8.668 0.074 -1.698) 8.833 2.390 ( 3.943 1.379 0.568) 4.215 2.460 ( 4.250 2.629 0.012) 4.997 2.514 ( 2.689 -2.896 0.587) 3.995 2.538 ( 1.932 -2.324 -0.159) 3.027 2.614 ( -4.783 0.808 2.155) 5.308 2.650 ( -8.341 1.996 -0.464) 8.589 2.824 ( -29.727 0.051 0.688) 29.735 2.863 ( -27.711 -0.963 -0.932) 27.743 4.579 ( -4.571 -1.146 0.203) 4.716 4.595 ( -2.710 -0.703 -0.261) 2.812 4.631 ( 0.952 -0.251 -0.405) 1.065 4.636 ( -2.683 -0.074 -0.685) 2.770 4.699 ( 3.914 -0.592 0.579) 4.001 4.726 ( 0.120 0.420 0.647) 0.781 5.292 ( 14.725 -0.078 0.023) 14.725 5.294 ( 15.036 -0.123 -0.081) 15.037 6.654 ( -1.239 0.402 -0.098) 1.306 6.669 ( -0.877 0.937 0.056) 1.284 6.749 ( -0.832 -0.268 1.202) 1.486 6.781 ( -1.025 -0.640 -1.052) 1.602 7.360 ( -0.571 -0.343 1.128) 1.310 7.393 ( -0.159 -0.836 -1.265) 1.525 7.900 ( -2.181 0.352 0.167) 2.215 7.904 ( -2.078 0.255 -0.158) 2.099 12.384 ( -1.415 -0.229 1.253) 1.904 12.429 ( -1.209 -1.517 -1.262) 2.315 12.475 ( 0.789 -0.647 -0.640) 1.204 12.521 ( 0.255 2.920 -1.158) 3.151 12.685 ( 0.344 -4.247 1.874) 4.655 12.857 ( 0.434 -0.479 -1.082) 1.260 12.893 ( 0.645 0.604 0.103) 0.890 12.918 ( 1.143 1.971 0.290) 2.297 ======================= Grid point 27 (20/171) ======================= q-point: ( 0.60 0.20 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 1.10e-04 1.10e-04 3.67e-09 3.67e-09 Number of triplets: 504 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.144 ( -7.673 -0.434 1.280) 7.791 1.170 ( -7.195 -1.970 -1.539) 7.617 1.284 ( -6.499 -1.403 -0.089) 6.649 1.323 ( -10.584 -1.136 -0.194) 10.646 1.473 ( 0.616 -0.683 -0.628) 1.113 1.596 ( 1.397 2.781 0.770) 3.207 1.684 ( -1.411 -0.575 3.566) 3.878 1.742 ( 6.020 1.842 1.952) 6.591 1.762 ( -1.214 -0.736 0.173) 1.430 1.813 ( 2.212 0.713 -1.800) 2.939 1.891 ( 5.789 1.269 1.074) 6.023 1.911 ( 4.668 1.444 -1.164) 5.023 1.967 ( 6.586 -0.368 -2.617) 7.096 1.998 ( 10.322 -0.041 -1.538) 10.436 2.087 ( 3.953 -1.734 -0.119) 4.318 2.261 ( -1.309 3.368 0.843) 3.710 2.317 ( 7.426 1.377 2.098) 7.839 2.374 ( 3.177 -1.812 -2.404) 4.376 2.418 ( 1.106 -0.531 0.640) 1.384 2.490 ( 1.019 -1.925 0.262) 2.194 2.830 ( -9.897 1.261 1.008) 10.028 2.848 ( -9.156 1.138 -0.740) 9.256 3.347 ( -24.372 0.087 0.637) 24.381 3.358 ( -24.184 -0.245 -0.620) 24.193 4.513 ( 5.004 -1.120 -0.166) 5.130 4.559 ( 4.246 -0.166 -0.126) 4.251 4.665 ( -2.272 0.032 -0.044) 2.273 4.678 ( -2.649 -0.217 0.026) 2.658 4.708 ( -2.396 -1.066 -0.058) 2.624 4.763 ( -1.447 0.820 0.406) 1.711 5.011 ( 14.695 -0.164 -0.065) 14.696 5.017 ( 14.290 0.044 0.002) 14.290 6.680 ( -1.084 0.654 0.110) 1.271 6.690 ( -0.706 0.490 -0.264) 0.899 6.761 ( -0.108 -0.371 1.158) 1.221 6.784 ( -0.515 -0.468 -0.997) 1.216 7.367 ( -0.009 -0.410 0.598) 0.725 7.388 ( -0.341 -0.359 -0.609) 0.785 7.934 ( -1.277 0.133 -0.011) 1.284 7.938 ( -1.295 0.285 0.021) 1.326 12.399 ( -0.152 -0.637 1.143) 1.317 12.426 ( -0.305 -1.525 -1.678) 2.288 12.467 ( -0.391 0.117 1.251) 1.316 12.533 ( 0.387 3.561 -1.884) 4.047 12.657 ( 0.432 -3.760 1.530) 4.082 12.846 ( -0.293 -0.817 -0.702) 1.116 12.889 ( 0.389 0.533 0.444) 0.796 12.905 ( 1.364 0.999 -0.029) 1.690 ======================= Grid point 28 (21/171) ======================= q-point: (-0.30 0.20 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 1.10e-04 1.10e-04 3.67e-09 3.67e-09 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.234 ( -1.511 -0.422 -0.411) 1.621 1.269 ( -5.357 -0.448 -0.775) 5.432 1.305 ( 4.684 -1.008 0.560) 4.824 1.430 ( 0.471 0.268 5.512) 5.539 1.479 ( 0.037 0.829 -5.414) 5.477 1.602 ( -1.885 -0.126 0.512) 1.957 1.663 ( 4.654 1.847 0.440) 5.027 1.671 ( 4.777 0.664 -1.226) 4.977 1.741 ( 3.256 -1.141 1.151) 3.637 1.752 ( 1.249 -1.758 -0.514) 2.217 1.819 ( -5.044 -1.150 0.270) 5.181 1.857 ( -0.110 0.796 -0.778) 1.118 1.934 ( -3.624 0.585 2.166) 4.263 1.982 ( -4.875 0.347 -1.392) 5.081 2.042 ( 0.194 -1.178 -0.355) 1.246 2.231 ( 2.718 1.313 0.740) 3.108 2.278 ( 1.545 -5.567 0.197) 5.781 2.329 ( -1.330 3.809 -0.973) 4.150 2.437 ( -0.518 2.622 0.479) 2.715 2.461 ( 0.911 -1.519 -0.196) 1.782 2.928 ( 0.581 -0.287 0.014) 0.648 2.944 ( -0.583 -0.312 -0.010) 0.661 3.593 ( 0.393 -0.248 0.007) 0.464 3.609 ( -0.293 0.259 -0.008) 0.391 4.460 ( -0.539 -0.469 0.025) 0.715 4.513 ( 0.261 0.648 -0.031) 0.699 4.686 ( 0.192 0.162 -0.075) 0.262 4.701 ( -0.068 -0.043 0.098) 0.127 4.729 ( -0.707 -0.894 -0.011) 1.140 4.775 ( 0.954 0.540 0.001) 1.096 4.852 ( -0.241 -0.127 -0.019) 0.273 4.863 ( 0.005 0.029 0.011) 0.031 6.693 ( 0.111 -0.422 0.083) 0.444 6.703 ( -0.524 0.423 -0.112) 0.683 6.751 ( 0.860 -0.799 0.042) 1.174 6.794 ( -0.443 0.814 -0.013) 0.927 7.362 ( 0.329 -0.303 0.000) 0.448 7.394 ( -0.352 0.252 -0.000) 0.433 7.947 ( -0.098 -0.063 -0.000) 0.116 7.950 ( 0.096 0.021 0.000) 0.098 12.399 ( 0.023 -1.062 1.003) 1.461 12.410 ( -0.051 -0.861 -1.494) 1.725 12.491 ( -0.933 0.507 1.647) 1.960 12.546 ( 0.350 4.298 -1.751) 4.654 12.624 ( 0.816 -3.382 0.647) 3.539 12.851 ( -1.213 -1.090 -0.223) 1.646 12.885 ( 0.891 0.545 0.541) 1.176 12.894 ( -0.070 0.065 -0.371) 0.383 ======================= Grid point 29 (22/171) ======================= q-point: (-0.20 0.20 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 1.10e-04 1.10e-04 3.67e-09 3.67e-09 Number of triplets: 282 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.114 ( 13.487 -2.739 0.000) 13.762 1.192 ( 7.701 3.019 -0.000) 8.271 1.286 ( 3.966 3.784 -0.000) 5.482 1.379 ( 5.568 1.531 0.000) 5.774 1.510 ( -0.136 -0.043 0.000) 0.142 1.543 ( -1.052 -3.914 0.000) 4.053 1.589 ( 0.738 -1.758 0.000) 1.907 1.637 ( 1.890 -0.029 0.000) 1.890 1.762 ( -4.570 0.650 -0.000) 4.616 1.800 ( -4.896 -0.389 -0.000) 4.911 1.940 ( -4.406 2.334 -0.000) 4.986 1.944 ( -7.031 -2.956 0.000) 7.628 2.058 ( -7.764 -0.220 -0.000) 7.767 2.069 ( -5.123 0.308 -0.000) 5.132 2.073 ( -6.550 -2.215 0.000) 6.914 2.217 ( -1.257 -5.449 0.000) 5.592 2.271 ( -5.286 1.444 -0.000) 5.480 2.386 ( -1.725 2.288 -0.000) 2.865 2.438 ( -0.213 0.730 -0.000) 0.761 2.472 ( -1.274 2.369 -0.000) 2.690 2.809 ( 10.893 -2.036 0.000) 11.082 2.860 ( 8.489 -1.652 0.000) 8.648 3.335 ( 24.632 -0.366 0.000) 24.635 3.370 ( 23.840 0.755 0.000) 23.852 4.523 ( -5.655 0.377 -0.000) 5.667 4.561 ( -4.167 1.243 -0.000) 4.348 4.661 ( 2.405 0.294 0.000) 2.422 4.682 ( 2.424 0.140 0.000) 2.428 4.720 ( 1.094 -0.683 0.000) 1.290 4.738 ( 3.361 0.141 0.000) 3.364 5.013 ( -14.712 0.011 -0.000) 14.712 5.017 ( -14.301 -0.022 -0.000) 14.301 6.680 ( 0.632 -0.968 0.000) 1.156 6.697 ( 1.151 -0.632 0.000) 1.313 6.734 ( 0.399 0.068 0.000) 0.405 6.804 ( 0.293 1.231 -0.000) 1.266 7.353 ( 0.518 -0.064 0.000) 0.522 7.403 ( -0.276 0.747 -0.000) 0.796 7.935 ( 1.480 -0.281 0.000) 1.507 7.937 ( 1.088 -0.175 0.000) 1.102 12.384 ( 0.481 -1.458 0.000) 1.535 12.416 ( -0.720 0.695 -0.000) 1.001 12.512 ( -0.621 0.028 -0.000) 0.622 12.575 ( -0.206 5.197 -0.000) 5.201 12.585 ( 0.981 -2.863 0.000) 3.026 12.870 ( -1.942 -1.609 0.000) 2.522 12.880 ( 0.063 0.447 -0.000) 0.451 12.897 ( -0.308 -0.247 0.000) 0.394 ======================= Grid point 34 (23/171) ======================= q-point: ( 0.30 0.30 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 1.10e-04 1.10e-04 3.67e-09 3.67e-09 Number of triplets: 165 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.266 ( 0.000 0.000 9.622) 9.622 0.303 ( 0.000 0.000 10.756) 10.756 0.579 ( -0.000 -0.000 -3.899) 3.899 0.647 ( 0.000 0.000 24.875) 24.875 0.713 ( -0.000 -0.000 -8.558) 8.558 1.379 ( -0.000 -0.000 -16.143) 16.143 1.403 ( 0.000 0.000 0.877) 0.877 1.409 ( 0.000 0.000 2.639) 2.639 1.658 ( 0.000 0.000 0.181) 0.181 1.709 ( 0.000 0.000 0.077) 0.077 1.917 ( 0.000 0.000 0.976) 0.976 2.021 ( -0.000 -0.000 -3.650) 3.650 2.024 ( -0.000 -0.000 -0.746) 0.746 2.052 ( -0.000 -0.000 -3.593) 3.593 2.134 ( 0.000 0.000 2.765) 2.765 2.233 ( -0.000 -0.000 -2.442) 2.442 2.381 ( 0.000 0.000 2.899) 2.899 2.436 ( -0.000 -0.000 -0.461) 0.461 2.454 ( 0.000 0.000 4.707) 4.707 2.565 ( -0.000 -0.000 -1.680) 1.680 2.891 ( 0.000 0.000 0.188) 0.188 2.895 ( -0.000 -0.000 -0.011) 0.011 2.982 ( 0.000 0.000 0.708) 0.708 3.008 ( -0.000 -0.000 -0.575) 0.575 4.340 ( 0.000 0.000 0.191) 0.191 4.348 ( -0.000 -0.000 -0.201) 0.201 4.407 ( 0.000 0.000 2.404) 2.404 4.506 ( -0.000 -0.000 -2.658) 2.658 4.900 ( 0.000 0.000 0.872) 0.872 4.933 ( -0.000 -0.000 -0.863) 0.863 5.711 ( 0.000 0.000 0.352) 0.352 5.728 ( -0.000 -0.000 -0.521) 0.521 6.661 ( 0.000 0.000 0.037) 0.037 6.662 ( -0.000 -0.000 -0.014) 0.014 6.695 ( 0.000 0.000 0.050) 0.050 6.697 ( -0.000 -0.000 -0.048) 0.048 7.317 ( 0.000 0.000 0.019) 0.019 7.318 ( -0.000 -0.000 -0.022) 0.022 7.814 ( 0.000 0.000 0.006) 0.006 7.816 ( -0.000 -0.000 -0.070) 0.070 12.183 ( 0.000 0.000 1.485) 1.485 12.271 ( -0.000 -0.000 -3.485) 3.485 12.453 ( 0.000 0.000 3.049) 3.049 12.541 ( -0.000 -0.000 -1.937) 1.937 12.802 ( 0.000 0.000 0.094) 0.094 12.818 ( -0.000 -0.000 -0.752) 0.752 12.896 ( 0.000 0.000 0.521) 0.521 12.924 ( -0.000 -0.000 -0.980) 0.980 ======================= Grid point 35 (24/171) ======================= q-point: ( 0.40 0.30 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 1.10e-04 1.10e-04 3.67e-09 3.67e-09 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.530 ( -13.657 2.717 8.241) 16.181 0.679 ( -10.051 2.160 12.934) 16.522 0.756 ( -7.368 2.810 -3.867) 8.783 0.926 ( -28.736 1.889 -1.429) 28.834 0.978 ( -27.110 6.664 4.975) 28.357 1.289 ( -0.141 0.894 -12.784) 12.816 1.468 ( -6.673 -0.624 -0.641) 6.732 1.486 ( -6.158 0.955 0.096) 6.233 1.682 ( -2.565 -0.914 1.931) 3.338 1.719 ( -1.789 0.550 0.882) 2.069 1.889 ( 2.175 -5.777 -2.028) 6.498 1.957 ( 0.244 2.541 -1.439) 2.931 2.098 ( -7.042 -1.495 -1.416) 7.337 2.124 ( -6.776 1.997 -0.440) 7.078 2.174 ( -2.530 -1.227 1.621) 3.245 2.237 ( -0.779 0.531 -2.181) 2.376 2.299 ( 4.024 -3.352 1.471) 5.440 2.390 ( 8.750 6.729 0.534) 11.051 2.435 ( -0.310 -5.711 2.084) 6.087 2.514 ( 4.418 2.756 1.128) 5.328 2.800 ( 8.031 -1.305 0.406) 8.146 2.827 ( 7.282 1.685 0.332) 7.482 2.925 ( 7.195 -0.260 0.978) 7.266 2.941 ( 7.241 0.041 -0.309) 7.247 4.386 ( -4.757 -0.870 0.115) 4.838 4.391 ( -4.877 -0.290 0.121) 4.887 4.464 ( -4.407 0.264 2.195) 4.930 4.528 ( -3.181 0.079 -2.355) 3.959 4.871 ( 3.153 -0.405 0.868) 3.295 4.896 ( 3.342 -0.536 -0.911) 3.505 5.666 ( 5.255 0.172 0.359) 5.270 5.678 ( 5.439 0.136 -0.458) 5.460 6.634 ( 0.659 -0.858 0.517) 1.199 6.650 ( 0.846 0.758 0.030) 1.136 6.711 ( -1.301 -0.412 0.422) 1.428 6.727 ( -1.818 0.467 -0.188) 1.887 7.330 ( -1.173 -0.203 0.525) 1.301 7.364 ( -2.837 0.030 -1.932) 3.433 7.825 ( -1.203 -0.026 0.096) 1.207 7.829 ( -1.413 -0.036 -0.154) 1.421 12.283 ( -5.183 -2.120 -1.675) 5.845 12.319 ( -6.036 1.724 -3.201) 7.047 12.472 ( -0.234 0.993 2.366) 2.577 12.527 ( 0.852 0.839 -1.860) 2.212 12.780 ( 0.913 -4.478 -0.018) 4.570 12.844 ( -1.495 3.319 -0.936) 3.758 12.897 ( 0.079 0.148 0.417) 0.449 12.914 ( 0.607 0.082 -0.840) 1.040 ======================= Grid point 36 (25/171) ======================= q-point: ( 0.50 0.30 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 1.10e-04 1.10e-04 3.67e-09 3.67e-09 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.813 ( -11.035 0.875 8.205) 13.779 0.870 ( -6.450 4.308 9.342) 12.142 0.930 ( -10.817 1.867 -3.930) 11.659 1.092 ( -0.869 1.729 -11.880) 12.036 1.429 ( -6.499 0.628 3.420) 7.370 1.503 ( -14.129 2.967 -2.341) 14.626 1.589 ( -5.821 -0.039 -0.070) 5.821 1.622 ( -7.276 1.623 0.638) 7.482 1.775 ( -1.791 -3.877 1.793) 4.632 1.842 ( -10.335 -1.191 1.000) 10.451 1.875 ( -13.954 1.174 -1.821) 14.121 1.976 ( -0.550 2.810 -2.527) 3.819 2.116 ( 4.999 -1.065 -0.834) 5.179 2.202 ( 7.880 1.719 2.695) 8.504 2.281 ( -5.945 -0.471 0.450) 5.981 2.299 ( -7.761 0.698 -0.422) 7.803 2.310 ( -9.349 0.616 0.184) 9.371 2.340 ( -5.846 2.255 -1.625) 6.473 2.449 ( -1.006 -1.842 0.333) 2.125 2.473 ( -7.432 -0.010 -0.225) 7.436 2.623 ( 9.536 -1.160 0.893) 9.647 2.677 ( 9.501 0.460 -0.366) 9.519 2.756 ( 10.406 -0.319 1.022) 10.461 2.763 ( 10.835 -0.468 0.166) 10.846 4.484 ( -6.284 -1.107 0.168) 6.383 4.497 ( -6.403 -0.395 -0.031) 6.415 4.561 ( -4.977 -0.315 0.799) 5.051 4.593 ( -4.088 0.596 -0.948) 4.239 4.793 ( 5.156 -0.558 0.723) 5.236 4.807 ( 5.374 -0.599 -0.641) 5.445 5.525 ( 10.567 -0.017 0.171) 10.568 5.530 ( 10.714 0.043 -0.208) 10.716 6.634 ( -0.756 -0.207 0.053) 0.785 6.651 ( -0.238 0.898 0.090) 0.934 6.736 ( -1.335 -0.377 0.852) 1.628 6.757 ( -1.468 -0.059 -0.694) 1.625 7.353 ( -1.142 -0.510 1.108) 1.671 7.385 ( -0.776 -0.418 -1.548) 1.782 7.858 ( -2.138 0.213 0.227) 2.161 7.862 ( -2.188 0.153 -0.244) 2.207 12.348 ( -3.656 -1.242 0.369) 3.879 12.394 ( -3.010 -0.464 -1.980) 3.632 12.487 ( 0.285 0.385 0.667) 0.821 12.511 ( 1.012 1.779 -0.971) 2.266 12.731 ( 0.481 -4.850 0.660) 4.918 12.864 ( 0.529 0.578 -0.656) 1.022 12.900 ( 0.564 0.388 -0.217) 0.718 12.911 ( -0.020 2.528 0.003) 2.528 ======================= Grid point 37 (26/171) ======================= q-point: ( 0.60 0.30 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 1.10e-04 1.10e-04 3.67e-09 3.67e-09 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.009 ( -7.391 1.909 5.264) 9.273 1.046 ( -6.963 0.239 0.052) 6.968 1.122 ( -10.596 0.017 -2.507) 10.888 1.138 ( -8.308 0.753 -2.995) 8.863 1.482 ( -0.693 -1.264 0.603) 1.563 1.589 ( -0.361 2.895 -0.443) 2.951 1.684 ( -3.231 -0.949 4.259) 5.429 1.732 ( -3.155 -0.639 -3.230) 4.560 1.742 ( -1.723 -2.836 0.299) 3.332 1.895 ( 3.622 -1.986 0.028) 4.130 1.980 ( 8.967 4.246 -1.039) 9.976 2.027 ( 4.289 1.101 1.606) 4.710 2.035 ( 2.084 0.918 0.326) 2.301 2.104 ( -1.277 2.213 -2.149) 3.338 2.251 ( 5.613 0.304 1.153) 5.738 2.275 ( 10.244 0.011 -1.142) 10.308 2.393 ( 2.734 1.070 0.175) 2.942 2.460 ( 4.245 3.202 -0.014) 5.317 2.519 ( 2.958 -2.957 0.367) 4.198 2.536 ( 2.475 -2.706 -0.169) 3.671 2.629 ( -6.063 0.788 1.380) 6.268 2.645 ( -7.081 2.004 -0.761) 7.398 2.829 ( -30.165 -0.396 0.400) 30.171 2.856 ( -27.355 -0.429 -0.490) 27.363 4.581 ( -4.525 -1.243 0.086) 4.693 4.593 ( -2.502 -0.670 -0.109) 2.592 4.629 ( 0.640 -0.256 -0.111) 0.698 4.632 ( -2.284 -0.081 -0.265) 2.300 4.703 ( 3.875 -0.625 0.197) 3.930 4.730 ( -0.189 0.488 0.232) 0.572 5.292 ( 14.724 -0.114 0.019) 14.724 5.294 ( 15.038 -0.106 -0.042) 15.038 6.654 ( -1.273 0.341 -0.029) 1.319 6.669 ( -0.799 0.936 0.012) 1.231 6.759 ( -1.065 -0.454 1.089) 1.590 6.772 ( -0.783 -0.415 -1.031) 1.359 7.371 ( -0.572 -0.509 1.266) 1.479 7.382 ( -0.236 -0.665 -1.317) 1.495 7.901 ( -2.116 0.298 0.155) 2.143 7.903 ( -2.143 0.321 -0.152) 2.172 12.395 ( -1.809 -0.703 1.090) 2.226 12.417 ( -1.229 -1.251 -1.192) 2.121 12.472 ( 0.553 -0.723 -0.083) 0.914 12.514 ( 0.745 3.104 -0.466) 3.226 12.696 ( 0.168 -4.141 0.718) 4.206 12.850 ( 0.428 -0.535 -0.431) 0.810 12.893 ( 0.471 0.496 0.040) 0.686 12.920 ( 1.193 2.141 0.090) 2.452 ======================= Grid point 38 (27/171) ======================= q-point: (-0.30 -0.70 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 1.10e-04 1.10e-04 3.67e-09 3.67e-09 Number of triplets: 280 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.153 ( -6.882 -1.806 -0.000) 7.115 1.159 ( -6.838 -0.741 -0.000) 6.878 1.284 ( -7.467 -1.411 -0.000) 7.600 1.322 ( -11.291 -1.026 -0.000) 11.338 1.470 ( 1.039 -0.747 0.000) 1.280 1.599 ( 1.552 2.912 -0.000) 3.300 1.703 ( -0.517 -1.091 0.000) 1.208 1.744 ( 1.581 0.589 -0.000) 1.688 1.776 ( 4.906 1.412 -0.000) 5.105 1.793 ( 0.368 -0.059 0.000) 0.372 1.902 ( 3.797 2.110 -0.000) 4.344 1.905 ( 2.468 1.711 -0.000) 3.003 1.952 ( 10.896 -1.318 0.000) 10.975 1.991 ( 9.572 0.076 0.000) 9.572 2.087 ( 3.806 -2.013 0.000) 4.305 2.264 ( -1.736 3.211 -0.000) 3.650 2.329 ( 8.176 2.346 -0.000) 8.505 2.361 ( 2.840 -2.316 0.000) 3.665 2.420 ( 1.151 -0.702 0.000) 1.348 2.491 ( 1.025 -1.881 0.000) 2.142 2.836 ( -9.509 1.199 -0.000) 9.584 2.843 ( -9.502 1.068 -0.000) 9.562 3.353 ( -23.938 -0.208 -0.000) 23.939 3.353 ( -24.626 0.074 -0.000) 24.627 4.513 ( 4.945 -1.191 0.000) 5.086 4.558 ( 4.249 -0.064 0.000) 4.249 4.665 ( -2.271 0.040 -0.000) 2.272 4.678 ( -2.700 -0.212 -0.000) 2.709 4.708 ( -2.375 -1.167 0.000) 2.646 4.765 ( -1.369 0.853 -0.000) 1.613 5.010 ( 14.698 -0.178 0.000) 14.699 5.017 ( 14.284 0.044 0.000) 14.284 6.681 ( -1.210 0.631 -0.000) 1.365 6.688 ( -0.581 0.473 -0.000) 0.749 6.768 ( 0.256 -0.747 0.000) 0.790 6.778 ( -0.872 -0.052 -0.000) 0.873 7.370 ( 0.218 -0.572 0.000) 0.612 7.385 ( -0.580 -0.207 0.000) 0.616 7.934 ( -1.266 0.123 -0.000) 1.272 7.938 ( -1.307 0.292 -0.000) 1.339 12.408 ( -0.086 -0.654 0.000) 0.660 12.415 ( -0.287 -1.730 0.000) 1.754 12.474 ( -0.980 -0.165 -0.000) 0.994 12.523 ( 0.857 3.983 -0.000) 4.074 12.664 ( 0.462 -3.758 0.000) 3.786 12.843 ( -0.365 -0.862 0.000) 0.937 12.891 ( 0.146 0.338 -0.000) 0.369 12.905 ( 1.596 1.177 -0.000) 1.983 ======================= Grid point 46 (28/171) ======================= q-point: ( 0.40 0.40 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 1.10e-04 1.10e-04 3.67e-09 3.67e-09 Number of triplets: 171 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.342 ( 0.000 0.000 8.018) 8.018 0.380 ( 0.000 0.000 6.630) 6.630 0.551 ( -0.000 -0.000 -1.789) 1.789 0.638 ( -0.000 -0.000 -8.985) 8.985 0.853 ( 0.000 0.000 23.875) 23.875 1.227 ( -0.000 -0.000 -19.787) 19.787 1.412 ( 0.000 0.000 1.218) 1.218 1.423 ( 0.000 0.000 0.618) 0.618 1.667 ( 0.000 0.000 1.870) 1.870 1.703 ( -0.000 -0.000 -1.382) 1.382 1.932 ( 0.000 0.000 2.501) 2.501 1.989 ( -0.000 -0.000 -3.869) 3.869 2.018 ( -0.000 -0.000 -0.580) 0.580 2.027 ( -0.000 -0.000 -2.136) 2.136 2.159 ( 0.000 0.000 3.135) 3.135 2.211 ( -0.000 -0.000 -2.800) 2.800 2.403 ( 0.000 0.000 2.248) 2.248 2.430 ( -0.000 -0.000 -0.937) 0.937 2.492 ( 0.000 0.000 4.134) 4.134 2.548 ( -0.000 -0.000 -2.461) 2.461 2.893 ( 0.000 0.000 0.165) 0.165 2.895 ( -0.000 -0.000 -0.057) 0.057 2.989 ( 0.000 0.000 0.803) 0.803 3.002 ( -0.000 -0.000 -0.722) 0.722 4.342 ( 0.000 0.000 0.227) 0.227 4.346 ( -0.000 -0.000 -0.234) 0.234 4.430 ( 0.000 0.000 2.900) 2.900 4.482 ( -0.000 -0.000 -3.057) 3.057 4.908 ( 0.000 0.000 1.022) 1.022 4.925 ( -0.000 -0.000 -1.017) 1.017 5.715 ( 0.000 0.000 0.462) 0.462 5.724 ( -0.000 -0.000 -0.566) 0.566 6.661 ( 0.000 0.000 0.037) 0.037 6.662 ( -0.000 -0.000 -0.023) 0.023 6.696 ( 0.000 0.000 0.058) 0.058 6.697 ( -0.000 -0.000 -0.057) 0.057 7.317 ( 0.000 0.000 0.023) 0.023 7.318 ( -0.000 -0.000 -0.025) 0.025 7.815 ( 0.000 0.000 0.024) 0.024 7.815 ( -0.000 -0.000 -0.064) 0.064 12.198 ( 0.000 0.000 2.064) 2.064 12.243 ( -0.000 -0.000 -3.129) 3.129 12.478 ( 0.000 0.000 2.863) 2.863 12.522 ( -0.000 -0.000 -2.347) 2.347 12.804 ( 0.000 0.000 0.275) 0.275 12.812 ( -0.000 -0.000 -0.675) 0.675 12.901 ( 0.000 0.000 0.715) 0.715 12.916 ( -0.000 -0.000 -1.005) 1.005 ======================= Grid point 47 (29/171) ======================= q-point: ( 0.50 0.40 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 1.10e-04 1.10e-04 3.67e-09 3.67e-09 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.600 ( -12.761 2.227 7.991) 15.220 0.674 ( -11.317 2.859 -7.101) 13.663 0.815 ( -14.004 2.303 10.673) 17.757 0.888 ( -23.235 2.705 -6.621) 24.310 1.054 ( -18.156 3.790 11.472) 21.809 1.174 ( -7.850 3.074 -13.717) 16.101 1.466 ( -5.232 -0.786 0.066) 5.291 1.484 ( -5.273 1.136 -0.372) 5.407 1.700 ( -3.186 -1.164 1.800) 3.841 1.721 ( -3.191 0.435 -0.443) 3.251 1.876 ( 3.143 -5.946 -0.766) 6.769 1.948 ( 0.895 3.036 -0.583) 3.218 2.090 ( -7.395 -1.885 -0.409) 7.642 2.120 ( -7.888 2.038 -0.453) 8.159 2.189 ( -1.396 -1.724 1.550) 2.707 2.219 ( -1.821 1.113 -1.702) 2.730 2.308 ( 4.831 -3.112 0.525) 5.770 2.393 ( 8.545 6.679 0.232) 10.848 2.447 ( 0.522 -6.314 0.766) 6.381 2.521 ( 4.050 2.977 0.339) 5.038 2.802 ( 7.858 -1.559 0.170) 8.013 2.829 ( 7.356 1.717 0.095) 7.555 2.932 ( 6.923 -0.392 0.491) 6.952 2.939 ( 7.072 0.089 -0.278) 7.078 4.387 ( -4.759 -0.877 0.039) 4.839 4.392 ( -4.929 -0.286 0.032) 4.938 4.484 ( -3.970 0.037 2.397) 4.638 4.507 ( -3.671 0.290 -2.458) 4.428 4.879 ( 3.233 -0.477 0.984) 3.413 4.888 ( 3.283 -0.484 -0.995) 3.465 5.670 ( 5.319 0.152 0.421) 5.337 5.674 ( 5.362 0.185 -0.460) 5.385 6.637 ( 0.693 -0.921 0.158) 1.163 6.651 ( 0.832 0.800 0.012) 1.155 6.714 ( -1.652 -0.663 0.185) 1.790 6.725 ( -1.577 0.643 -0.101) 1.706 7.335 ( -1.698 -0.632 0.463) 1.870 7.351 ( -2.194 0.669 -0.916) 2.470 7.826 ( -1.271 -0.025 0.128) 1.277 7.827 ( -1.344 -0.028 -0.151) 1.353 12.274 ( -5.376 -1.676 -0.588) 5.662 12.301 ( -5.619 1.747 -1.011) 5.971 12.492 ( 0.183 0.816 2.290) 2.438 12.511 ( 0.538 0.832 -2.112) 2.333 12.780 ( 0.824 -4.170 -0.015) 4.251 12.838 ( -1.385 3.143 -0.295) 3.447 12.901 ( 0.269 0.098 0.568) 0.636 12.908 ( 0.442 0.155 -0.730) 0.867 ======================= Grid point 48 (30/171) ======================= q-point: (-0.40 -0.60 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 1.10e-04 1.10e-04 3.67e-09 3.67e-09 Number of triplets: 282 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.864 ( -10.381 1.092 -0.000) 10.438 0.875 ( -12.310 1.695 -0.000) 12.426 0.980 ( -2.938 2.489 -0.000) 3.851 0.993 ( -2.899 3.301 -0.000) 4.393 1.450 ( -5.956 -0.063 -0.000) 5.956 1.486 ( -12.990 3.548 -0.000) 13.465 1.589 ( -6.403 -0.416 -0.000) 6.416 1.625 ( -9.428 2.327 -0.000) 9.711 1.783 ( 1.021 -5.746 0.000) 5.836 1.854 ( -10.189 0.637 -0.000) 10.209 1.861 ( -16.884 0.947 -0.000) 16.911 1.965 ( 0.072 2.904 -0.000) 2.905 2.112 ( 5.321 -1.243 0.000) 5.464 2.215 ( 10.287 2.213 0.000) 10.522 2.285 ( -3.828 -0.558 -0.000) 3.868 2.289 ( -14.083 -0.992 -0.000) 14.118 2.322 ( -9.365 1.651 -0.000) 9.509 2.327 ( -4.907 2.527 -0.000) 5.520 2.450 ( 0.123 -2.055 0.000) 2.059 2.472 ( -7.309 0.424 -0.000) 7.321 2.627 ( 9.032 -1.547 0.000) 9.164 2.675 ( 9.760 0.533 0.000) 9.775 2.760 ( 10.973 -0.894 0.000) 11.009 2.763 ( 10.157 0.134 0.000) 10.158 4.485 ( -6.320 -1.147 -0.000) 6.423 4.497 ( -6.352 -0.367 -0.000) 6.362 4.565 ( -4.558 -0.666 -0.000) 4.607 4.588 ( -4.455 0.924 -0.000) 4.549 4.798 ( 5.161 -0.755 0.000) 5.216 4.802 ( 5.288 -0.393 0.000) 5.302 5.526 ( 10.626 -0.089 0.000) 10.626 5.529 ( 10.654 0.119 0.000) 10.654 6.634 ( -0.710 -0.234 0.000) 0.747 6.652 ( -0.243 0.899 -0.000) 0.932 6.740 ( -1.621 -0.663 0.000) 1.751 6.753 ( -1.167 0.213 -0.000) 1.186 7.360 ( -1.432 -0.895 0.000) 1.689 7.377 ( -0.593 0.019 -0.000) 0.593 7.860 ( -2.170 0.188 -0.000) 2.178 7.860 ( -2.158 0.191 -0.000) 2.167 12.350 ( -4.188 -1.611 0.000) 4.487 12.385 ( -2.911 0.031 -0.000) 2.911 12.491 ( 0.911 0.002 0.000) 0.911 12.506 ( 0.575 2.095 -0.000) 2.173 12.734 ( 0.325 -4.746 0.000) 4.757 12.861 ( 0.566 0.585 -0.000) 0.814 12.899 ( 0.539 0.427 -0.000) 0.688 12.911 ( -0.087 2.530 -0.000) 2.532 ======================= Grid point 59 (31/171) ======================= q-point: (-0.50 -0.50 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 1.10e-04 1.10e-04 3.67e-09 3.67e-09 Number of triplets: 93 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.394 ( -0.000 -0.000 -3.391) 3.391 0.394 ( 0.000 0.000 3.391) 3.391 0.569 ( -0.000 -0.000 -6.275) 6.275 0.569 ( 0.000 0.000 6.275) 6.275 1.048 ( -0.000 -0.000 -22.261) 22.261 1.048 ( 0.000 0.000 22.261) 22.261 1.421 ( -0.000 -0.000 -0.858) 0.858 1.421 ( 0.000 0.000 0.858) 0.858 1.687 ( -0.000 -0.000 -2.401) 2.401 1.687 ( 0.000 0.000 2.401) 2.401 1.958 ( -0.000 -0.000 -3.480) 3.480 1.958 ( 0.000 0.000 3.480) 3.480 2.016 ( -0.000 -0.000 -0.453) 0.453 2.016 ( 0.000 0.000 0.453) 0.453 2.186 ( -0.000 -0.000 -3.085) 3.085 2.186 ( 0.000 0.000 3.085) 3.085 2.419 ( -0.000 -0.000 -1.557) 1.557 2.419 ( 0.000 0.000 1.557) 1.557 2.524 ( -0.000 -0.000 -3.314) 3.314 2.524 ( 0.000 0.000 3.314) 3.314 2.894 ( -0.000 -0.000 -0.114) 0.114 2.894 ( 0.000 0.000 0.114) 0.114 2.996 ( -0.000 -0.000 -0.805) 0.805 2.996 ( 0.000 0.000 0.805) 0.805 4.344 ( -0.000 -0.000 -0.243) 0.243 4.344 ( 0.000 0.000 0.243) 0.243 4.456 ( -0.000 -0.000 -3.133) 3.133 4.456 ( 0.000 0.000 3.133) 3.133 4.917 ( -0.000 -0.000 -1.072) 1.072 4.917 ( 0.000 0.000 1.072) 1.072 5.719 ( -0.000 -0.000 -0.541) 0.541 5.719 ( 0.000 0.000 0.541) 0.541 6.662 ( -0.000 -0.000 -0.032) 0.032 6.662 ( 0.000 0.000 0.032) 0.032 6.696 ( -0.000 -0.000 -0.060) 0.060 6.696 ( 0.000 0.000 0.060) 0.060 7.318 ( -0.000 -0.000 -0.025) 0.025 7.318 ( 0.000 0.000 0.025) 0.025 7.815 ( -0.000 -0.000 -0.047) 0.047 7.815 ( 0.000 0.000 0.047) 0.047 12.218 ( -0.000 -0.000 -2.634) 2.634 12.218 ( 0.000 0.000 2.634) 2.634 12.501 ( -0.000 -0.000 -2.643) 2.643 12.501 ( 0.000 0.000 2.643) 2.643 12.807 ( -0.000 -0.000 -0.491) 0.491 12.807 ( 0.000 0.000 0.491) 0.491 12.908 ( -0.000 -0.000 -0.896) 0.896 12.908 ( 0.000 0.000 0.896) 0.896 ======================= Grid point 108 (32/171) ======================= q-point: ( 0.10 0.00 0.10) 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 1.10e-04 1.10e-04 3.67e-09 3.67e-09 Number of triplets: 165 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.172 ( -0.000 12.527 -0.000) 12.527 0.281 ( -0.000 18.574 -0.000) 18.574 0.403 ( -0.000 26.668 -0.000) 26.668 0.697 ( -0.000 7.651 -0.000) 7.651 0.906 ( -0.000 8.093 -0.000) 8.093 1.351 ( -0.000 0.974 -0.000) 0.974 1.393 ( 0.000 -0.512 0.000) 0.512 1.551 ( 0.000 -4.911 0.000) 4.911 1.680 ( -0.000 0.492 -0.000) 0.492 1.746 ( -0.000 0.412 -0.000) 0.412 1.912 ( 0.000 -2.540 0.000) 2.540 2.003 ( 0.000 -1.277 0.000) 1.277 2.039 ( -0.000 0.757 -0.000) 0.757 2.059 ( 0.000 -2.093 0.000) 2.093 2.117 ( -0.000 2.587 -0.000) 2.587 2.133 ( -0.000 0.950 -0.000) 0.950 2.296 ( 0.000 -1.460 0.000) 1.460 2.310 ( 0.000 -5.532 0.000) 5.532 2.478 ( -0.000 3.107 -0.000) 3.107 2.788 ( 0.000 -1.857 0.000) 1.857 2.854 ( -0.000 0.305 -0.000) 0.305 2.888 ( -0.000 0.019 -0.000) 0.019 2.974 ( -0.000 0.212 -0.000) 0.212 3.066 ( 0.000 -0.628 0.000) 0.628 4.328 ( 0.000 -1.311 0.000) 1.311 4.328 ( 0.000 -1.321 0.000) 1.321 4.390 ( -0.000 0.653 -0.000) 0.653 4.542 ( 0.000 -0.188 0.000) 0.188 4.886 ( 0.000 -0.251 0.000) 0.251 4.936 ( 0.000 -1.238 0.000) 1.238 5.710 ( -0.000 0.405 -0.000) 0.405 5.735 ( 0.000 -0.151 0.000) 0.151 6.601 ( 0.000 -0.162 0.000) 0.162 6.657 ( 0.000 -0.694 0.000) 0.694 6.698 ( -0.000 0.497 -0.000) 0.497 6.743 ( -0.000 0.109 -0.000) 0.109 7.321 ( -0.000 0.327 -0.000) 0.327 7.321 ( -0.000 0.569 -0.000) 0.569 7.813 ( 0.000 -0.244 0.000) 0.244 7.815 ( 0.000 -0.270 0.000) 0.270 12.173 ( -0.000 1.002 -0.000) 1.002 12.388 ( -0.000 1.135 -0.000) 1.135 12.477 ( 0.000 -1.139 0.000) 1.139 12.582 ( -0.000 1.993 -0.000) 1.993 12.806 ( 0.000 -0.078 0.000) 0.078 12.815 ( 0.000 -2.047 0.000) 2.047 12.888 ( 0.000 -0.097 0.000) 0.097 12.937 ( 0.000 -0.263 0.000) 0.263 ======================= Grid point 109 (33/171) ======================= q-point: ( 0.20 0.00 0.10) 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 1.10e-04 1.10e-04 3.67e-09 3.67e-09 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.389 ( -8.745 11.464 4.268) 15.037 0.550 ( -10.865 13.387 1.907) 17.347 0.932 ( -9.024 5.134 -1.346) 10.469 0.986 ( -32.350 13.113 0.813) 34.916 1.112 ( -17.196 9.410 -0.362) 19.606 1.442 ( -3.805 -1.433 -1.050) 4.199 1.452 ( -0.845 -2.190 -0.217) 2.357 1.474 ( -9.694 -1.994 0.859) 9.935 1.682 ( 2.351 0.452 -1.483) 2.816 1.696 ( 0.655 0.693 1.374) 1.673 1.954 ( -0.337 -1.227 -7.558) 7.665 1.999 ( -6.123 -1.646 0.194) 6.343 2.026 ( 0.012 -3.170 5.924) 6.718 2.149 ( -3.970 2.297 -1.731) 4.903 2.176 ( -2.198 -0.767 -0.020) 2.328 2.198 ( -8.319 -3.601 1.694) 9.222 2.233 ( -1.082 -0.605 0.752) 1.450 2.338 ( -3.334 -2.612 0.077) 4.236 2.469 ( 3.080 2.638 0.241) 4.063 2.527 ( 15.897 3.971 0.019) 16.386 2.801 ( 5.934 0.289 -0.492) 5.961 2.838 ( 7.882 1.497 0.294) 8.028 2.895 ( 8.449 -0.047 0.497) 8.463 2.950 ( 9.315 0.044 -0.159) 9.317 4.364 ( -4.829 -1.566 0.063) 5.077 4.373 ( -5.558 -1.391 0.098) 5.730 4.444 ( -4.787 1.043 0.259) 4.906 4.563 ( -2.434 -0.228 -0.357) 2.471 4.854 ( 3.124 -0.448 0.027) 3.156 4.894 ( 3.282 -1.508 -0.135) 3.614 5.666 ( 5.307 0.382 0.049) 5.321 5.683 ( 5.553 -0.201 0.004) 5.556 6.609 ( -0.954 -0.073 0.252) 0.990 6.655 ( 0.073 -0.117 0.018) 0.139 6.707 ( -0.437 0.546 0.010) 0.700 6.737 ( -0.812 0.517 -0.032) 0.963 7.326 ( -0.240 0.292 0.017) 0.378 7.386 ( -3.026 -2.375 -0.413) 3.869 7.823 ( -1.332 -0.095 0.013) 1.335 7.829 ( -1.670 -0.237 -0.007) 1.687 12.277 ( -5.605 -2.905 -0.329) 6.321 12.415 ( -1.850 0.836 -0.797) 2.181 12.465 ( -0.114 -1.020 -0.416) 1.107 12.590 ( 0.926 2.675 -0.728) 2.923 12.699 ( 3.573 -3.516 0.728) 5.066 12.891 ( -0.369 -0.057 -0.221) 0.434 12.905 ( -2.476 -1.090 -0.397) 2.734 12.930 ( 0.198 -0.001 -0.172) 0.262 ======================= Grid point 110 (34/171) ======================= q-point: ( 0.30 0.00 0.10) 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 1.10e-04 1.10e-04 3.67e-09 3.67e-09 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.660 ( -10.498 9.297 4.485) 14.723 0.827 ( -9.816 6.984 1.907) 12.197 1.076 ( -5.509 2.967 -2.230) 6.643 1.308 ( 0.538 -0.785 -5.062) 5.150 1.376 ( -2.748 1.129 2.228) 3.713 1.479 ( -10.232 1.086 3.666) 10.923 1.627 ( 1.576 0.488 -0.879) 1.869 1.668 ( -3.096 1.448 -2.362) 4.155 1.742 ( -16.239 4.537 1.960) 16.974 1.796 ( -10.466 -2.069 -0.221) 10.671 1.925 ( 0.189 -1.637 -2.394) 2.907 2.060 ( -10.343 0.655 0.321) 10.369 2.101 ( 0.496 -2.485 0.719) 2.634 2.134 ( -2.575 -1.414 0.890) 3.069 2.297 ( -11.004 2.671 0.198) 11.325 2.305 ( 7.080 0.517 -0.751) 7.138 2.355 ( -6.790 -1.664 -0.676) 7.023 2.379 ( -5.466 1.280 -1.418) 5.790 2.418 ( -12.011 0.418 1.468) 12.108 2.464 ( -4.431 2.407 0.740) 5.097 2.641 ( 10.899 0.954 -2.324) 11.185 2.676 ( 9.652 -0.413 0.805) 9.694 2.707 ( 10.920 -0.352 1.865) 11.084 2.739 ( 12.535 -1.345 0.187) 12.609 4.461 ( -6.517 -1.273 0.076) 6.640 4.484 ( -7.067 -1.182 0.051) 7.165 4.554 ( -5.912 0.760 0.026) 5.961 4.616 ( -3.445 0.011 -0.309) 3.458 4.770 ( 5.513 -0.630 0.244) 5.554 4.801 ( 5.495 -1.399 -0.099) 5.671 5.523 ( 10.572 0.126 0.007) 10.573 5.532 ( 10.864 -0.218 -0.029) 10.866 6.635 ( -1.691 0.343 -0.101) 1.728 6.660 ( -0.390 0.712 0.190) 0.834 6.720 ( -0.547 0.265 0.182) 0.635 6.762 ( -1.613 -0.618 -0.114) 1.731 7.334 ( -0.446 0.048 0.215) 0.498 7.398 ( -0.720 -1.742 -0.494) 1.948 7.858 ( -2.298 0.324 0.063) 2.321 7.867 ( -2.415 0.021 -0.022) 2.415 12.334 ( -2.918 -0.934 -0.083) 3.065 12.428 ( -0.316 -1.662 -1.134) 2.037 12.481 ( -1.548 0.414 -0.102) 1.605 12.580 ( 1.332 1.831 -2.007) 3.026 12.630 ( 2.036 -2.623 2.543) 4.183 12.890 ( 0.306 -0.664 -1.304) 1.495 12.905 ( 0.243 -0.192 0.391) 0.499 12.935 ( 0.431 0.680 0.259) 0.846 ======================= Grid point 111 (35/171) ======================= q-point: ( 0.40 0.00 0.10) 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 1.10e-04 1.10e-04 3.67e-09 3.67e-09 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.933 ( -11.093 6.123 3.131) 13.051 1.019 ( -7.799 0.541 0.589) 7.840 1.166 ( -5.152 -1.455 -0.957) 5.438 1.275 ( -1.611 -1.253 -4.037) 4.523 1.452 ( -3.155 1.091 0.540) 3.382 1.592 ( -2.366 -0.630 2.860) 3.765 1.617 ( 0.113 1.158 0.419) 1.237 1.660 ( 1.189 1.137 1.252) 2.068 1.817 ( 1.384 -0.926 -1.046) 1.967 1.858 ( 2.266 -2.642 -0.467) 3.512 1.968 ( -2.201 -0.064 0.476) 2.253 2.025 ( 4.001 -0.064 0.908) 4.103 2.128 ( 4.738 4.022 -3.125) 6.956 2.196 ( 3.094 0.776 -1.851) 3.689 2.228 ( 4.132 2.560 1.732) 5.160 2.324 ( 4.527 0.068 -2.167) 5.019 2.405 ( 8.519 1.635 0.825) 8.714 2.436 ( 6.302 -3.403 1.027) 7.236 2.487 ( 7.636 -0.206 0.541) 7.658 2.525 ( 6.026 -1.189 -0.174) 6.145 2.595 ( -13.233 2.343 1.125) 13.486 2.684 ( -10.306 1.809 -0.326) 10.468 2.825 ( -29.020 0.720 0.168) 29.029 2.852 ( -29.127 -1.252 0.030) 29.154 4.562 ( -4.778 -0.818 0.027) 4.848 4.588 ( -3.556 -0.764 -0.148) 3.640 4.636 ( 2.350 -0.552 -0.817) 2.549 4.653 ( -3.819 -0.040 -1.222) 4.010 4.677 ( 4.651 -0.616 0.806) 4.760 4.711 ( -0.627 -0.069 1.330) 1.472 5.292 ( 14.709 -0.038 -0.053) 14.709 5.293 ( 15.002 -0.162 -0.062) 15.003 6.668 ( -1.458 0.775 -0.528) 1.734 6.681 ( -1.026 1.009 0.304) 1.471 6.731 ( -0.445 -0.045 0.573) 0.727 6.779 ( -1.062 -1.185 -0.298) 1.619 7.345 ( -0.609 -0.047 0.389) 0.724 7.392 ( -0.277 -1.306 -0.519) 1.433 7.904 ( -2.193 0.432 0.050) 2.235 7.909 ( -2.069 0.216 -0.016) 2.080 12.374 ( -1.647 0.127 0.073) 1.654 12.415 ( -0.283 -1.648 -0.057) 1.674 12.487 ( 0.152 -1.224 -2.621) 2.897 12.573 ( -0.357 -0.472 1.491) 1.604 12.605 ( 1.338 1.818 1.074) 2.500 12.867 ( 0.444 -1.352 -1.345) 1.958 12.902 ( 0.509 0.505 -0.190) 0.742 12.925 ( 1.337 0.619 0.932) 1.744 ======================= Grid point 112 (36/171) ======================= q-point: ( 0.50 0.00 0.10) 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 1.10e-04 1.10e-04 3.67e-09 3.67e-09 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.135 ( -7.259 -2.067 -1.265) 7.652 1.155 ( -8.887 0.228 0.028) 8.890 1.257 ( -5.514 -1.204 1.506) 5.841 1.324 ( -6.005 -1.540 -2.199) 6.578 1.494 ( -1.007 0.437 -2.019) 2.298 1.587 ( 1.803 1.175 1.990) 2.931 1.643 ( -1.172 0.349 2.109) 2.438 1.700 ( -1.549 0.779 3.934) 4.300 1.767 ( 2.862 0.928 2.497) 3.910 1.813 ( 1.821 0.629 -0.336) 1.956 1.904 ( 7.593 -0.421 -0.933) 7.661 1.965 ( 5.616 2.210 -1.832) 6.307 2.029 ( 7.044 0.615 -2.419) 7.473 2.046 ( 8.375 0.647 -3.864) 9.246 2.081 ( 6.514 -0.322 -1.267) 6.644 2.273 ( 5.211 -2.423 0.224) 5.751 2.291 ( 2.120 1.505 1.395) 2.951 2.347 ( 1.303 -0.120 1.447) 1.951 2.437 ( 1.824 -0.340 0.560) 1.938 2.450 ( -0.830 -0.729 0.416) 1.181 2.841 ( -9.466 1.703 0.184) 9.619 2.876 ( -7.886 0.964 -0.607) 7.968 3.343 ( -24.294 0.304 0.268) 24.298 3.359 ( -24.297 -0.409 -0.090) 24.300 4.510 ( 5.025 -0.428 -0.800) 5.106 4.554 ( 3.998 -0.181 0.523) 4.037 4.657 ( -2.646 -0.685 0.301) 2.750 4.674 ( -2.861 -0.654 -0.121) 2.937 4.708 ( -2.418 -0.122 -1.235) 2.718 4.759 ( -1.718 0.509 1.267) 2.195 5.011 ( 14.604 -0.076 -0.205) 14.606 5.017 ( 14.236 0.004 0.031) 14.236 6.691 ( -0.432 0.703 -0.209) 0.851 6.702 ( -0.542 0.356 -0.351) 0.737 6.743 ( -0.523 0.130 0.691) 0.876 6.784 ( -0.718 -0.869 -0.118) 1.133 7.357 ( -0.497 0.025 0.236) 0.551 7.388 ( -0.370 -0.752 -0.302) 0.891 7.937 ( -1.147 0.164 -0.101) 1.163 7.941 ( -1.130 0.251 0.091) 1.161 12.387 ( -0.346 -0.522 -0.638) 0.894 12.425 ( -1.073 -0.507 0.285) 1.220 12.460 ( 0.312 -0.816 -1.416) 1.664 12.570 ( 0.809 -2.063 3.348) 4.015 12.622 ( -0.374 4.215 -1.625) 4.533 12.847 ( -0.214 -1.695 -1.334) 2.167 12.892 ( 0.908 0.628 0.151) 1.114 12.908 ( 1.096 0.171 0.536) 1.232 ======================= Grid point 113 (37/171) ======================= q-point: (-0.40 0.00 0.10) 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 1.10e-04 1.10e-04 3.67e-09 3.67e-09 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.240 ( -3.097 -0.491 0.332) 3.153 1.275 ( -5.485 -0.767 -2.867) 6.237 1.311 ( 0.923 1.117 0.292) 1.478 1.361 ( 0.707 -0.386 0.695) 1.064 1.544 ( -1.908 0.079 1.136) 2.222 1.586 ( 0.107 0.159 -0.713) 0.738 1.629 ( 3.627 -2.929 1.969) 5.061 1.697 ( 1.490 0.146 -0.037) 1.497 1.725 ( 1.173 0.663 -1.101) 1.740 1.786 ( 4.806 3.210 -0.956) 5.858 1.823 ( 0.841 -0.012 -1.874) 2.054 1.870 ( -1.240 0.514 1.089) 1.729 1.897 ( -0.840 -0.224 1.297) 1.562 2.000 ( -0.067 0.308 -0.302) 0.437 2.049 ( -0.963 -0.111 -0.879) 1.308 2.185 ( 0.487 -4.705 -1.418) 4.938 2.264 ( 0.850 1.049 0.193) 1.364 2.392 ( -1.998 3.770 0.046) 4.266 2.400 ( 1.007 -2.739 1.757) 3.406 2.479 ( -1.129 1.235 -0.005) 1.673 2.927 ( 1.419 -0.089 -0.336) 1.461 2.941 ( 0.968 -0.314 -0.318) 1.066 3.592 ( 0.175 -0.073 -0.241) 0.307 3.610 ( -0.386 0.117 0.253) 0.476 4.461 ( -0.702 0.199 -0.502) 0.886 4.517 ( -0.225 0.397 0.714) 0.847 4.684 ( -0.370 -0.336 0.097) 0.509 4.698 ( -0.260 -0.192 -0.038) 0.326 4.729 ( -0.430 -0.105 -0.858) 0.966 4.776 ( 0.505 0.180 0.526) 0.751 4.852 ( -0.065 -0.004 -0.149) 0.162 4.862 ( 0.128 -0.074 0.041) 0.153 6.687 ( 0.610 -0.372 -0.279) 0.767 6.706 ( 0.480 0.040 0.286) 0.560 6.748 ( -0.137 -0.107 -0.749) 0.769 6.798 ( -0.684 0.470 0.760) 1.126 7.362 ( -0.083 0.028 -0.338) 0.349 7.393 ( -0.530 -0.061 0.281) 0.603 7.947 ( 0.095 -0.011 -0.067) 0.117 7.950 ( 0.270 -0.001 0.022) 0.271 12.386 ( -0.231 -0.340 -0.818) 0.915 12.423 ( -0.645 -1.479 -2.064) 2.620 12.470 ( -0.349 1.318 2.136) 2.534 12.552 ( 0.822 -2.007 2.676) 3.444 12.653 ( -0.345 4.341 -2.505) 5.024 12.840 ( -0.978 -1.969 -0.999) 2.415 12.881 ( 0.795 0.418 0.430) 0.996 12.896 ( 0.211 -0.239 0.080) 0.329 ======================= Grid point 114 (38/171) ======================= q-point: (-0.30 0.00 0.10) 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 1.10e-04 1.10e-04 3.67e-09 3.67e-09 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.100 ( 13.913 -1.253 -2.178) 14.138 1.230 ( 8.907 2.133 0.910) 9.204 1.317 ( 2.990 1.623 1.782) 3.841 1.363 ( 5.137 1.091 2.287) 5.728 1.498 ( 2.798 0.404 0.582) 2.886 1.530 ( -1.177 -2.104 -2.556) 3.514 1.593 ( -0.427 -1.715 -4.029) 4.399 1.688 ( 0.463 0.195 -4.303) 4.332 1.767 ( -6.078 1.186 0.322) 6.201 1.806 ( -5.647 -0.422 -0.354) 5.673 1.884 ( -6.589 -1.722 1.632) 7.003 1.952 ( -2.135 0.721 2.681) 3.502 2.006 ( -0.159 -0.892 2.957) 3.092 2.035 ( -12.156 0.059 1.674) 12.271 2.094 ( -4.074 0.589 -1.280) 4.311 2.170 ( -3.924 -3.627 -2.432) 5.871 2.302 ( -3.529 1.611 -0.171) 3.883 2.372 ( -0.439 -2.662 0.607) 2.765 2.468 ( -3.295 3.283 0.378) 4.666 2.507 ( -1.308 1.161 -0.415) 1.797 2.792 ( 11.557 -1.211 -1.061) 11.669 2.837 ( 9.464 -1.163 0.058) 9.535 3.335 ( 24.748 -0.173 -0.494) 24.754 3.375 ( 23.487 0.464 0.571) 23.498 4.529 ( -5.765 0.603 -0.020) 5.796 4.574 ( -4.693 0.863 0.728) 4.826 4.663 ( 2.405 -0.258 -0.133) 2.422 4.679 ( 2.325 -0.125 0.119) 2.332 4.715 ( 1.537 0.149 -0.430) 1.603 4.745 ( 2.861 -0.236 -0.423) 2.901 5.013 ( -14.762 0.060 0.030) 14.762 5.016 ( -14.398 -0.055 0.003) 14.398 6.669 ( 0.881 -0.526 -0.163) 1.038 6.687 ( 1.374 -0.470 0.237) 1.471 6.745 ( 0.205 0.160 -0.950) 0.985 6.812 ( 0.213 0.658 0.867) 1.109 7.358 ( 0.313 0.059 -0.655) 0.728 7.407 ( -0.544 0.379 0.628) 0.913 7.931 ( 1.615 -0.161 -0.045) 1.623 7.935 ( 1.209 -0.126 0.013) 1.215 12.377 ( 0.296 -0.542 -1.273) 1.415 12.429 ( -1.396 -0.230 -1.011) 1.738 12.493 ( -0.048 1.083 2.276) 2.521 12.534 ( 0.721 -1.747 1.972) 2.732 12.681 ( -0.539 4.583 -2.651) 5.322 12.843 ( -1.480 -2.448 -0.598) 2.923 12.878 ( -0.000 0.285 0.490) 0.567 12.895 ( -0.266 -0.488 0.028) 0.557 ======================= Grid point 115 (39/171) ======================= q-point: (-0.20 0.00 0.10) 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 1.10e-04 1.10e-04 3.67e-09 3.67e-09 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.796 ( 15.526 -1.902 -5.168) 16.474 1.023 ( 14.474 0.305 -0.861) 14.503 1.214 ( 10.545 0.977 2.935) 10.989 1.280 ( 2.011 -0.309 5.480) 5.845 1.429 ( 3.077 -0.384 -3.689) 4.819 1.595 ( -1.829 0.162 -0.970) 2.077 1.602 ( -3.157 -0.673 0.316) 3.243 1.642 ( 2.872 0.308 -4.037) 4.964 1.887 ( -0.316 2.869 2.612) 3.893 1.926 ( -5.834 1.239 0.209) 5.967 1.946 ( 5.187 -0.506 -1.782) 5.508 1.977 ( -4.221 -2.603 0.247) 4.965 2.005 ( -4.718 -2.654 1.834) 5.715 2.181 ( -1.515 -0.076 3.014) 3.374 2.206 ( -7.872 0.156 -1.652) 8.045 2.310 ( -5.182 -0.391 1.315) 5.361 2.350 ( -7.731 -0.854 -1.695) 7.961 2.446 ( -5.620 -0.506 0.943) 5.721 2.519 ( 10.480 -0.080 -1.711) 10.619 2.570 ( -5.090 1.739 -0.204) 5.383 2.577 ( -2.862 0.880 -0.895) 3.125 2.619 ( 10.101 -2.135 -0.192) 10.326 2.808 ( 29.659 -0.258 -0.665) 29.667 2.899 ( 26.592 0.848 0.954) 26.623 4.586 ( 4.978 0.419 -0.292) 5.004 4.608 ( 4.664 0.380 0.189) 4.684 4.646 ( -2.070 0.120 1.042) 2.321 4.650 ( 3.073 -0.165 0.850) 3.193 4.688 ( -1.134 0.141 -1.416) 1.820 4.710 ( -5.008 -0.077 -0.533) 5.037 5.292 ( -14.672 -0.005 -0.036) 14.672 5.297 ( -15.110 0.052 0.062) 15.110 6.650 ( 0.742 -0.282 -0.039) 0.794 6.657 ( 1.473 -0.336 -0.054) 1.512 6.734 ( 0.728 0.057 -0.688) 1.003 6.805 ( 1.355 0.352 0.626) 1.533 7.347 ( 0.590 0.050 -0.648) 0.877 7.422 ( -0.467 0.431 0.795) 1.018 7.893 ( 2.286 -0.165 -0.103) 2.295 7.905 ( 1.980 -0.064 0.119) 1.985 12.363 ( 0.407 -0.217 -0.860) 0.976 12.453 ( -1.142 0.451 -0.110) 1.233 12.499 ( 1.262 0.124 0.876) 1.541 12.519 ( 0.028 -0.962 1.864) 2.098 12.724 ( -1.535 4.457 -1.553) 4.963 12.849 ( -1.528 -2.914 -0.142) 3.293 12.889 ( -0.662 0.313 0.563) 0.923 12.896 ( -0.257 -0.508 0.064) 0.573 ======================= Grid point 116 (40/171) ======================= q-point: (-0.10 0.00 0.10) 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 1.10e-04 1.10e-04 3.67e-09 3.67e-09 Number of triplets: 280 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.492 ( 13.771 -0.000 -7.854) 15.853 0.721 ( 17.822 -0.000 -1.719) 17.905 1.037 ( 9.919 0.000 2.891) 10.332 1.286 ( 6.390 0.000 2.589) 6.895 1.372 ( -2.874 0.000 0.034) 2.874 1.442 ( 21.561 -0.000 -2.376) 21.692 1.622 ( -1.696 0.000 0.383) 1.739 1.637 ( 8.329 0.000 2.739) 8.768 1.691 ( 5.884 -0.000 -3.026) 6.617 1.852 ( 19.877 -0.000 -1.199) 19.913 1.955 ( -1.177 0.000 3.694) 3.877 2.020 ( -0.425 0.000 2.339) 2.377 2.061 ( -2.971 -0.000 -4.868) 5.703 2.209 ( -1.862 0.000 3.753) 4.189 2.240 ( 11.600 -0.000 -0.744) 11.624 2.269 ( 2.284 -0.000 -2.680) 3.521 2.330 ( -5.265 0.000 0.544) 5.293 2.359 ( 11.595 0.000 0.657) 11.614 2.442 ( 6.694 -0.000 -0.443) 6.709 2.530 ( 11.621 0.000 2.089) 11.807 2.581 ( -12.674 -0.000 -1.459) 12.758 2.657 ( -9.539 -0.000 -1.391) 9.640 2.727 ( -9.364 -0.000 -0.606) 9.383 2.761 ( -11.893 -0.000 -0.192) 11.895 4.484 ( 6.033 -0.000 -0.266) 6.039 4.501 ( 6.685 -0.000 0.026) 6.685 4.541 ( 6.529 -0.000 -0.390) 6.540 4.616 ( 3.248 0.000 0.574) 3.299 4.781 ( -5.630 -0.000 -0.343) 5.640 4.825 ( -5.934 0.000 0.235) 5.938 5.521 ( -10.329 -0.000 -0.068) 10.330 5.536 ( -10.877 0.000 0.116) 10.877 6.630 ( 1.240 -0.000 -0.284) 1.272 6.641 ( 0.094 -0.000 -0.013) 0.094 6.716 ( 0.899 -0.000 -0.410) 0.988 6.774 ( 2.310 0.000 0.269) 2.326 7.333 ( 0.651 -0.000 -0.387) 0.757 7.435 ( -0.226 0.000 1.024) 1.049 7.852 ( 1.977 -0.000 -0.064) 1.978 7.866 ( 2.183 0.000 0.107) 2.186 12.353 ( 0.409 0.000 0.147) 0.435 12.459 ( 2.720 -0.000 -0.468) 2.760 12.470 ( -0.178 0.000 1.320) 1.332 12.535 ( -1.041 0.000 1.372) 1.722 12.779 ( -2.277 -0.000 -0.394) 2.310 12.857 ( -0.892 0.000 0.629) 1.091 12.895 ( 0.112 0.000 0.064) 0.129 12.911 ( -1.093 0.000 0.451) 1.183 ======================= Grid point 117 (41/171) ======================= q-point: ( 0.00 0.10 0.10) 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 1.10e-04 1.10e-04 3.67e-09 3.67e-09 Number of triplets: 165 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.457 ( 15.276 -0.000 0.000) 15.276 0.714 ( 18.102 -0.000 0.000) 18.102 1.050 ( 9.707 -0.000 0.000) 9.707 1.296 ( 8.971 -0.000 0.000) 8.971 1.373 ( -5.960 0.000 -0.000) 5.960 1.431 ( 21.176 -0.000 0.000) 21.176 1.624 ( -2.397 0.000 -0.000) 2.397 1.653 ( 16.203 -0.000 0.000) 16.203 1.674 ( -1.326 0.000 -0.000) 1.326 1.847 ( 20.472 -0.000 0.000) 20.472 1.977 ( -2.135 0.000 -0.000) 2.135 2.030 ( -0.979 0.000 -0.000) 0.979 2.033 ( -1.332 0.000 -0.000) 1.332 2.237 ( 11.649 -0.000 0.000) 11.649 2.239 ( -1.500 0.000 -0.000) 1.500 2.244 ( 2.098 -0.000 0.000) 2.098 2.332 ( -6.093 0.000 -0.000) 6.093 2.361 ( 12.110 -0.000 0.000) 12.110 2.440 ( 7.400 -0.000 0.000) 7.400 2.540 ( 13.141 -0.000 0.000) 13.141 2.575 ( -13.269 0.000 -0.000) 13.269 2.650 ( -10.548 0.000 -0.000) 10.548 2.724 ( -9.240 0.000 -0.000) 9.240 2.760 ( -11.999 0.000 -0.000) 11.999 4.483 ( 6.050 -0.000 0.000) 6.050 4.501 ( 6.722 -0.000 0.000) 6.722 4.539 ( 6.617 -0.000 0.000) 6.617 4.619 ( 3.239 -0.000 0.000) 3.239 4.779 ( -5.705 0.000 -0.000) 5.705 4.826 ( -5.970 0.000 -0.000) 5.970 5.520 ( -10.321 0.000 -0.000) 10.321 5.536 ( -10.896 0.000 -0.000) 10.896 6.629 ( 1.340 -0.000 0.000) 1.340 6.641 ( 0.083 -0.000 0.000) 0.083 6.714 ( 0.884 -0.000 0.000) 0.884 6.775 ( 2.357 -0.000 0.000) 2.357 7.332 ( 0.614 -0.000 0.000) 0.614 7.439 ( -0.425 0.000 -0.000) 0.425 7.852 ( 1.970 -0.000 0.000) 1.970 7.867 ( 2.187 -0.000 0.000) 2.187 12.354 ( 0.097 -0.000 0.000) 0.097 12.457 ( 3.016 -0.000 0.000) 3.016 12.475 ( -0.770 0.000 -0.000) 0.770 12.541 ( -0.985 0.000 -0.000) 0.985 12.777 ( -2.423 0.000 -0.000) 2.423 12.860 ( -1.214 0.000 -0.000) 1.214 12.895 ( 0.132 -0.000 0.000) 0.132 12.913 ( -1.095 0.000 -0.000) 1.095 ======================= Grid point 119 (42/171) ======================= q-point: ( 0.20 0.10 0.10) 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 1.10e-04 1.10e-04 3.67e-09 3.67e-09 Number of triplets: 280 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.236 ( 0.000 9.225 12.266) 15.348 0.296 ( -0.000 17.664 3.415) 17.991 0.436 ( -0.000 23.866 7.631) 25.057 0.697 ( -0.000 8.147 0.008) 8.147 0.890 ( -0.000 8.123 -3.862) 8.994 1.362 ( 0.000 0.982 2.546) 2.729 1.393 ( 0.000 -0.417 0.217) 0.470 1.532 ( -0.000 -4.410 -4.504) 6.303 1.675 ( -0.000 0.449 -1.002) 1.098 1.735 ( -0.000 1.889 -1.768) 2.587 1.907 ( 0.000 -2.381 -1.100) 2.622 1.964 ( -0.000 -4.932 -4.044) 6.378 2.038 ( -0.000 0.744 -0.197) 0.769 2.118 ( -0.000 2.088 0.256) 2.104 2.124 ( -0.000 0.408 -0.718) 0.826 2.146 ( 0.000 -4.107 11.761) 12.458 2.291 ( -0.000 -0.909 -1.156) 1.471 2.319 ( 0.000 -5.543 2.013) 5.897 2.482 ( -0.000 3.247 1.119) 3.435 2.747 ( -0.000 2.392 -7.388) 7.766 2.869 ( 0.000 -1.100 2.015) 2.295 2.889 ( 0.000 -0.006 0.052) 0.053 2.975 ( 0.000 0.208 0.276) 0.346 3.051 ( -0.000 0.789 -2.748) 2.859 4.328 ( 0.000 -1.323 0.068) 1.325 4.331 ( 0.000 -1.578 0.536) 1.667 4.392 ( 0.000 0.839 0.491) 0.972 4.538 ( -0.000 -0.152 -0.979) 0.991 4.885 ( 0.000 -0.305 0.001) 0.305 4.934 ( 0.000 -1.229 -0.317) 1.269 5.711 ( -0.000 0.410 0.125) 0.428 5.735 ( 0.000 -0.106 0.064) 0.124 6.610 ( 0.000 -1.212 1.900) 2.254 6.656 ( 0.000 -0.714 -0.049) 0.715 6.699 ( -0.000 0.508 0.050) 0.511 6.736 ( -0.000 0.813 -1.388) 1.608 7.321 ( -0.000 0.572 0.015) 0.572 7.322 ( 0.000 0.350 0.174) 0.391 7.813 ( 0.000 -0.244 -0.006) 0.244 7.815 ( 0.000 -0.269 -0.032) 0.271 12.175 ( 0.000 1.032 0.509) 1.151 12.377 ( -0.000 1.452 -3.140) 3.459 12.457 ( -0.000 1.781 -2.519) 3.085 12.579 ( -0.000 1.955 -0.783) 2.106 12.803 ( -0.000 0.025 -0.441) 0.442 12.814 ( 0.000 -1.969 -0.270) 1.987 12.889 ( 0.000 -0.093 0.183) 0.205 12.936 ( -0.000 -0.244 -0.407) 0.474 ======================= Grid point 120 (43/171) ======================= q-point: ( 0.30 0.10 0.10) 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 1.10e-04 1.10e-04 3.67e-09 3.67e-09 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.451 ( -8.292 8.849 9.522) 15.419 0.583 ( -10.024 12.782 6.052) 17.334 0.911 ( -7.960 5.888 -3.617) 10.541 0.998 ( -31.180 12.167 1.898) 33.523 1.106 ( -19.022 9.373 -0.844) 21.223 1.415 ( 2.328 -2.847 -4.355) 5.700 1.464 ( -6.506 0.076 1.882) 6.774 1.479 ( -9.486 -1.227 0.583) 9.583 1.668 ( 1.008 0.095 -1.481) 1.793 1.708 ( 0.984 0.465 1.415) 1.785 1.893 ( -0.406 -1.945 -6.686) 6.975 1.991 ( -6.643 -1.598 -1.643) 7.027 2.071 ( -0.341 -3.465 3.753) 5.119 2.135 ( -3.181 0.143 -1.446) 3.497 2.171 ( -3.672 1.429 -0.729) 4.008 2.216 ( -7.750 -2.908 1.513) 8.414 2.248 ( 1.207 -1.275 2.996) 3.473 2.339 ( -2.804 -2.251 0.222) 3.602 2.473 ( 3.929 3.252 0.563) 5.131 2.527 ( 13.925 2.882 0.167) 14.221 2.795 ( 6.713 0.204 -0.789) 6.762 2.842 ( 7.361 1.197 0.433) 7.470 2.902 ( 8.044 -0.134 1.127) 8.123 2.948 ( 8.985 -0.080 -0.419) 8.995 4.364 ( -4.849 -1.650 0.126) 5.123 4.375 ( -5.497 -1.395 0.233) 5.676 4.448 ( -4.673 0.977 0.797) 4.840 4.557 ( -2.573 -0.144 -1.036) 2.778 4.854 ( 3.039 -0.519 0.155) 3.087 4.892 ( 3.253 -1.465 -0.392) 3.589 5.667 ( 5.334 0.374 0.147) 5.350 5.683 ( 5.615 -0.129 -0.043) 5.616 6.613 ( -0.665 -0.293 0.576) 0.927 6.655 ( 0.022 -0.115 0.049) 0.127 6.707 ( -0.540 0.436 0.028) 0.695 6.736 ( -0.911 0.519 -0.080) 1.051 7.326 ( -0.357 0.220 0.049) 0.422 7.380 ( -2.861 -1.692 -0.957) 3.459 7.823 ( -1.355 -0.093 0.040) 1.359 7.828 ( -1.665 -0.218 -0.035) 1.679 12.272 ( -5.476 -2.299 -0.751) 5.986 12.399 ( -2.258 0.399 -3.086) 3.844 12.464 ( -0.425 0.315 0.462) 0.702 12.580 ( 1.158 2.403 -1.541) 3.081 12.708 ( 3.281 -3.181 1.342) 4.763 12.886 ( -0.866 -0.421 -1.007) 1.393 12.901 ( -2.142 -0.140 -0.322) 2.171 12.927 ( 0.201 0.057 -0.453) 0.499 ======================= Grid point 121 (44/171) ======================= q-point: ( 0.40 0.10 0.10) 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 1.10e-04 1.10e-04 3.67e-09 3.67e-09 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.712 ( -9.708 7.452 7.508) 14.358 0.851 ( -8.570 7.180 3.915) 11.846 1.049 ( -6.058 3.281 -3.996) 7.965 1.260 ( 0.555 -0.165 -6.328) 6.355 1.393 ( -3.406 0.879 1.994) 4.044 1.517 ( -10.321 1.426 4.827) 11.483 1.618 ( 0.186 0.329 -1.271) 1.326 1.646 ( -4.522 2.094 -2.421) 5.540 1.751 ( -9.530 1.667 -0.563) 9.691 1.801 ( -12.245 -0.519 1.733) 12.378 1.907 ( -3.532 -0.734 -1.652) 3.968 2.046 ( -9.145 -1.236 -3.232) 9.778 2.115 ( -3.348 0.359 1.643) 3.747 2.147 ( 3.704 -2.212 2.596) 5.035 2.288 ( -2.407 -0.665 -1.467) 2.897 2.311 ( -3.882 3.641 1.618) 5.562 2.336 ( -13.035 -0.784 -3.017) 13.402 2.380 ( 1.788 0.616 0.755) 2.036 2.424 ( -10.519 0.210 -0.098) 10.522 2.473 ( -5.964 2.120 1.278) 6.457 2.624 ( 11.080 0.692 -1.519) 11.205 2.678 ( 9.991 -1.034 -0.182) 10.046 2.725 ( 10.959 -0.329 1.917) 11.130 2.743 ( 11.827 -0.927 0.760) 11.887 4.462 ( -6.540 -1.372 0.112) 6.683 4.485 ( -6.974 -1.143 0.075) 7.068 4.554 ( -5.578 0.451 0.064) 5.597 4.613 ( -3.555 0.307 -0.493) 3.602 4.773 ( 5.288 -0.736 0.416) 5.356 4.800 ( 5.385 -1.276 -0.196) 5.537 5.524 ( 10.615 0.077 0.023) 10.615 5.532 ( 10.873 -0.169 -0.060) 10.874 6.634 ( -1.494 0.224 -0.126) 1.516 6.662 ( -0.472 0.760 0.249) 0.929 6.722 ( -0.746 0.067 0.337) 0.821 6.760 ( -1.465 -0.476 -0.211) 1.555 7.336 ( -0.587 -0.070 0.414) 0.722 7.392 ( -0.699 -1.478 -0.853) 1.844 7.859 ( -2.306 0.318 0.119) 2.331 7.866 ( -2.397 0.061 -0.057) 2.398 12.333 ( -3.197 -0.861 -0.122) 3.313 12.415 ( -1.027 -1.349 -1.901) 2.547 12.480 ( -0.669 -0.314 -0.088) 0.744 12.565 ( 1.070 2.157 -1.497) 2.836 12.651 ( 1.849 -2.067 2.430) 3.688 12.878 ( 0.429 -0.792 -1.431) 1.691 12.906 ( 0.341 0.021 0.049) 0.345 12.937 ( 0.032 0.787 0.306) 0.845 ======================= Grid point 122 (45/171) ======================= q-point: ( 0.50 0.10 0.10) 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 1.10e-04 1.10e-04 3.67e-09 3.67e-09 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.966 ( -9.920 4.956 4.453) 11.950 1.025 ( -6.471 0.307 0.941) 6.546 1.155 ( -6.537 -0.534 -1.504) 6.729 1.237 ( -1.995 -0.312 -4.901) 5.300 1.458 ( -2.316 0.281 0.825) 2.475 1.612 ( -0.340 -0.396 1.958) 2.027 1.623 ( -0.712 0.746 0.556) 1.171 1.679 ( -1.795 0.500 3.315) 3.803 1.798 ( -0.623 0.039 -3.505) 3.560 1.857 ( 2.512 -2.557 0.376) 3.604 1.978 ( -1.595 -0.715 1.865) 2.556 2.033 ( 5.713 0.433 0.741) 5.777 2.100 ( 5.688 3.580 -3.370) 7.518 2.177 ( 2.689 1.161 -2.665) 3.960 2.243 ( 4.773 2.258 1.565) 5.507 2.305 ( 6.499 0.118 -2.066) 6.821 2.411 ( 5.296 1.164 0.579) 5.453 2.446 ( 6.103 -3.115 1.302) 6.975 2.492 ( 7.629 -0.311 0.558) 7.656 2.521 ( 3.863 -0.161 -0.699) 3.929 2.608 ( -11.264 1.393 1.807) 11.492 2.680 ( -9.627 1.436 -0.607) 9.753 2.827 ( -29.366 0.663 0.259) 29.374 2.852 ( -28.595 -0.753 0.010) 28.605 4.562 ( -4.752 -0.918 0.031) 4.840 4.586 ( -3.036 -0.688 -0.205) 3.119 4.629 ( 2.289 -0.602 -0.670) 2.460 4.643 ( -3.909 -0.111 -1.173) 4.082 4.684 ( 4.931 -0.720 0.789) 5.046 4.722 ( -1.310 0.116 1.198) 1.779 5.291 ( 14.690 -0.071 -0.060) 14.691 5.293 ( 15.034 -0.169 -0.082) 15.035 6.664 ( -1.501 0.655 -0.403) 1.687 6.683 ( -0.827 0.975 0.117) 1.284 6.737 ( -0.677 -0.116 0.840) 1.085 6.775 ( -0.953 -0.995 -0.491) 1.462 7.349 ( -0.623 -0.176 0.623) 0.898 7.387 ( -0.334 -1.173 -0.783) 1.450 7.904 ( -2.145 0.389 0.070) 2.182 7.909 ( -2.091 0.269 -0.028) 2.108 12.375 ( -1.545 -0.282 0.219) 1.586 12.413 ( -0.938 -1.553 -0.526) 1.889 12.468 ( 0.379 -1.392 -1.728) 2.252 12.577 ( -0.437 2.852 -0.367) 2.909 12.622 ( 1.555 -0.965 2.458) 3.065 12.854 ( 0.400 -1.346 -1.517) 2.067 12.901 ( 0.531 0.452 -0.086) 0.702 12.932 ( 1.257 0.570 0.756) 1.574 ======================= Grid point 123 (46/171) ======================= q-point: ( 0.60 0.10 0.10) 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 1.10e-04 1.10e-04 3.67e-09 3.67e-09 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.125 ( -7.062 -2.405 -1.004) 7.528 1.153 ( -7.214 -0.463 -0.458) 7.243 1.267 ( -5.219 -0.645 0.875) 5.331 1.311 ( -8.202 -1.050 -0.821) 8.310 1.478 ( -0.415 0.135 -1.631) 1.688 1.609 ( 1.357 1.087 2.668) 3.185 1.658 ( -2.329 -0.159 1.608) 2.834 1.728 ( 1.002 0.220 3.166) 3.328 1.790 ( 0.644 3.070 0.952) 3.278 1.811 ( 1.137 -0.470 1.300) 1.790 1.896 ( 8.893 0.029 -0.780) 8.927 1.950 ( 5.971 2.181 -1.487) 6.528 2.004 ( 5.761 1.209 -3.832) 7.024 2.015 ( 10.539 0.084 -2.740) 10.890 2.071 ( 4.958 -1.266 -1.312) 5.282 2.274 ( 4.325 -4.182 0.322) 6.025 2.302 ( 2.071 1.507 1.003) 2.751 2.358 ( 3.134 1.237 1.068) 3.535 2.442 ( 1.002 1.412 0.562) 1.820 2.454 ( -0.014 -1.713 0.487) 1.781 2.843 ( -9.323 1.358 0.415) 9.430 2.870 ( -8.106 0.814 -0.819) 8.188 3.346 ( -24.159 0.194 0.326) 24.162 3.358 ( -24.333 -0.210 -0.150) 24.334 4.504 ( 4.935 -0.611 -0.631) 5.012 4.557 ( 3.846 0.117 0.339) 3.863 4.660 ( -2.529 -0.721 0.276) 2.644 4.673 ( -2.863 -0.565 -0.118) 2.920 4.699 ( -2.544 -0.434 -0.848) 2.716 4.768 ( -1.497 0.585 0.919) 1.852 5.009 ( 14.637 -0.126 -0.188) 14.638 5.017 ( 14.196 0.011 0.011) 14.196 6.690 ( -0.540 0.592 -0.079) 0.805 6.698 ( -0.578 0.327 -0.434) 0.793 6.749 ( -0.116 -0.171 0.716) 0.745 6.783 ( -0.976 -0.426 -0.190) 1.082 7.359 ( -0.312 -0.166 0.288) 0.456 7.385 ( -0.583 -0.587 -0.355) 0.900 7.936 ( -1.129 0.134 -0.076) 1.140 7.942 ( -1.132 0.265 0.066) 1.165 12.383 ( -0.328 -0.879 -0.137) 0.948 12.417 ( -0.629 -1.712 -1.697) 2.491 12.460 ( -0.578 0.477 1.051) 1.291 12.595 ( 0.894 -2.115 2.670) 3.522 12.607 ( 0.088 4.309 -1.817) 4.677 12.836 ( -0.349 -1.743 -1.302) 2.203 12.894 ( 0.594 0.428 0.160) 0.749 12.912 ( 1.379 0.178 0.380) 1.442 ======================= Grid point 124 (47/171) ======================= q-point: (-0.30 0.10 0.10) 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 1.10e-04 1.10e-04 3.67e-09 3.67e-09 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.237 ( -4.485 -0.309 -1.346) 4.693 1.257 ( -5.756 -1.416 -0.873) 5.991 1.304 ( 1.538 0.392 -1.086) 1.923 1.389 ( 1.008 0.101 4.850) 4.955 1.529 ( -3.528 0.291 -3.885) 5.256 1.595 ( 2.476 0.206 1.890) 3.122 1.641 ( 5.639 -1.923 0.733) 6.003 1.688 ( 0.899 -1.083 -1.396) 1.982 1.728 ( 5.418 0.718 1.125) 5.580 1.777 ( 4.882 3.433 -1.075) 6.064 1.808 ( -1.265 -0.649 -1.289) 1.919 1.873 ( -1.719 0.530 -0.432) 1.850 1.920 ( -3.113 0.627 3.465) 4.700 1.994 ( -2.577 0.205 -0.994) 2.770 2.038 ( -1.120 -0.569 -1.631) 2.059 2.177 ( 1.197 -6.009 -0.375) 6.139 2.265 ( 1.835 2.067 0.134) 2.767 2.386 ( -1.074 2.242 -0.801) 2.612 2.419 ( 0.061 -1.328 1.997) 2.399 2.479 ( -0.842 1.743 -0.111) 1.939 2.924 ( 1.739 -0.268 -0.249) 1.777 2.939 ( 0.630 -0.443 -0.279) 0.819 3.591 ( 0.342 -0.152 -0.153) 0.404 3.612 ( -0.490 0.202 0.161) 0.554 4.458 ( -0.967 -0.001 -0.311) 1.016 4.522 ( -0.130 0.715 0.477) 0.869 4.685 ( -0.278 -0.375 0.014) 0.467 4.698 ( -0.299 -0.176 0.081) 0.356 4.722 ( -0.653 -0.389 -0.647) 0.998 4.780 ( 0.907 0.342 0.350) 1.030 4.851 ( -0.214 -0.074 -0.140) 0.266 4.863 ( 0.130 -0.055 0.040) 0.147 6.686 ( 0.580 -0.470 -0.150) 0.761 6.707 ( 0.271 0.143 0.116) 0.328 6.743 ( 0.216 -0.335 -0.451) 0.602 6.804 ( -0.797 0.702 0.500) 1.174 7.360 ( 0.073 -0.116 -0.242) 0.278 7.395 ( -0.699 0.057 0.196) 0.728 7.946 ( 0.048 -0.037 -0.049) 0.078 7.951 ( 0.315 0.006 0.013) 0.315 12.381 ( -0.059 -0.804 -0.417) 0.908 12.408 ( -0.868 -1.247 -1.487) 2.126 12.488 ( -0.586 1.224 2.026) 2.438 12.571 ( 0.952 -2.049 1.899) 2.951 12.631 ( -0.070 4.416 -2.387) 5.021 12.831 ( -1.202 -2.094 -0.874) 2.567 12.886 ( 0.761 0.289 0.532) 0.972 12.896 ( 0.235 -0.182 -0.153) 0.334 ======================= Grid point 125 (48/171) ======================= q-point: (-0.20 0.10 0.10) 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 1.10e-04 1.10e-04 3.67e-09 3.67e-09 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.085 ( 15.186 -1.596 -1.249) 15.321 1.233 ( 8.136 2.186 -0.019) 8.424 1.335 ( 2.722 3.075 2.143) 4.632 1.384 ( 4.648 0.729 2.280) 5.228 1.494 ( 4.559 -2.793 -2.176) 5.772 1.512 ( -3.262 -0.113 -0.496) 3.301 1.569 ( 0.315 -1.771 -1.825) 2.563 1.655 ( 1.051 0.308 -3.152) 3.337 1.772 ( -7.159 1.030 0.544) 7.253 1.802 ( -5.194 0.048 -0.403) 5.209 1.897 ( -6.540 -2.143 1.265) 6.997 1.967 ( -2.350 1.407 0.975) 2.907 2.031 ( -0.315 -1.312 2.747) 3.061 2.046 ( -11.838 -0.262 0.980) 11.881 2.083 ( -4.259 0.249 -1.327) 4.468 2.153 ( -4.366 -3.638 -1.453) 5.866 2.300 ( -3.837 1.983 -0.390) 4.337 2.376 ( 0.041 -2.285 0.272) 2.301 2.472 ( -3.253 2.840 0.491) 4.346 2.503 ( -1.014 1.370 -0.401) 1.751 2.785 ( 11.843 -1.334 -0.593) 11.932 2.837 ( 9.350 -1.249 -0.025) 9.433 3.332 ( 24.812 -0.209 -0.252) 24.814 3.379 ( 23.333 0.535 0.299) 23.341 4.529 ( -5.992 0.463 0.034) 6.010 4.579 ( -4.662 1.147 0.411) 4.819 4.662 ( 2.376 -0.296 -0.102) 2.397 4.680 ( 2.302 -0.165 0.102) 2.310 4.713 ( 1.207 -0.241 -0.250) 1.256 4.742 ( 3.439 0.051 -0.293) 3.452 5.014 ( -14.804 0.024 0.017) 14.804 5.016 ( -14.367 -0.043 0.002) 14.367 6.668 ( 0.822 -0.594 -0.078) 1.017 6.688 ( 1.462 -0.473 0.124) 1.542 6.739 ( 0.200 0.161 -0.505) 0.567 6.817 ( 0.218 0.729 0.454) 0.886 7.354 ( 0.385 0.007 -0.348) 0.519 7.411 ( -0.652 0.414 0.331) 0.840 7.931 ( 1.657 -0.181 -0.026) 1.667 7.935 ( 1.151 -0.112 0.006) 1.156 12.369 ( 0.280 -0.794 -0.671) 1.076 12.423 ( -1.593 -0.116 -0.514) 1.678 12.509 ( -0.024 0.820 1.536) 1.741 12.547 ( 0.899 -1.693 1.128) 2.225 12.662 ( -0.685 4.776 -1.822) 5.158 12.838 ( -1.706 -2.634 -0.465) 3.173 12.882 ( -0.069 0.208 0.465) 0.514 12.895 ( -0.215 -0.294 -0.129) 0.387 ======================= Grid point 126 (49/171) ======================= q-point: (-0.10 0.10 0.10) 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 1.10e-04 1.10e-04 3.67e-09 3.67e-09 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.766 ( 16.826 -2.069 -1.858) 17.054 1.018 ( 15.039 0.303 -0.299) 15.045 1.232 ( 10.313 1.211 1.172) 10.450 1.318 ( 1.366 -0.122 3.065) 3.358 1.400 ( 3.116 -0.941 -2.495) 4.101 1.585 ( -1.657 0.237 -0.704) 1.816 1.607 ( 0.695 -0.004 0.136) 0.708 1.618 ( -2.546 -0.317 -1.183) 2.825 1.904 ( -2.824 2.846 1.365) 4.235 1.924 ( -3.401 1.501 -0.685) 3.780 1.936 ( 4.451 -0.595 -0.509) 4.519 1.978 ( -3.535 -2.735 0.112) 4.471 2.018 ( -2.430 -2.772 0.946) 3.806 2.194 ( -7.279 0.543 -0.398) 7.310 2.201 ( -4.025 -0.250 0.826) 4.116 2.321 ( -2.417 -0.621 1.313) 2.820 2.336 ( -9.632 -0.849 -1.513) 9.787 2.453 ( -8.888 -0.137 0.428) 8.899 2.508 ( 14.898 -0.773 -0.753) 14.938 2.569 ( -6.189 0.792 -0.046) 6.240 2.572 ( -3.220 2.274 -0.373) 3.959 2.617 ( 10.292 -2.177 -0.088) 10.521 2.804 ( 29.842 -0.346 -0.217) 29.845 2.904 ( 26.518 0.910 0.332) 26.536 4.585 ( 5.008 0.390 -0.106) 5.025 4.609 ( 4.751 0.365 0.066) 4.766 4.652 ( 3.502 0.229 0.345) 3.527 4.658 ( -3.292 -0.312 1.044) 3.468 4.676 ( 0.851 0.114 -1.178) 1.458 4.707 ( -6.314 0.013 -0.233) 6.318 5.292 ( -14.653 -0.013 -0.012) 14.653 5.297 ( -15.136 0.053 0.022) 15.136 6.650 ( 0.668 -0.376 -0.010) 0.766 6.657 ( 1.602 -0.266 -0.030) 1.624 6.730 ( 0.702 0.049 -0.234) 0.742 6.808 ( 1.408 0.374 0.214) 1.472 7.343 ( 0.599 0.029 -0.221) 0.639 7.427 ( -0.588 0.453 0.278) 0.793 7.892 ( 2.295 -0.167 -0.035) 2.302 7.905 ( 1.957 -0.055 0.041) 1.958 12.358 ( 0.234 -0.278 -0.286) 0.462 12.452 ( -1.476 0.399 -0.050) 1.530 12.504 ( 1.793 -0.105 0.303) 1.822 12.531 ( -0.157 -0.761 0.741) 1.073 12.715 ( -1.839 4.590 -0.588) 4.980 12.848 ( -1.788 -3.037 -0.094) 3.525 12.893 ( -0.651 0.168 0.383) 0.774 12.896 ( -0.263 -0.213 -0.137) 0.365 ======================= Grid point 130 (50/171) ======================= q-point: ( 0.30 0.20 0.10) 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 1.10e-04 1.10e-04 3.67e-09 3.67e-09 Number of triplets: 275 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.335 ( -0.000 15.648 5.761) 16.675 0.341 ( 0.000 9.787 11.537) 15.129 0.525 ( 0.000 14.511 12.214) 18.967 0.701 ( -0.000 10.586 1.870) 10.750 0.844 ( -0.000 8.242 -6.629) 10.577 1.389 ( 0.000 0.922 3.468) 3.589 1.397 ( 0.000 -0.173 0.625) 0.649 1.474 ( -0.000 -2.816 -9.238) 9.658 1.664 ( -0.000 0.213 -1.356) 1.373 1.723 ( -0.000 1.762 -1.116) 2.086 1.897 ( 0.000 -2.334 -0.989) 2.535 1.940 ( 0.000 -7.526 -2.025) 7.793 2.036 ( -0.000 0.778 -0.406) 0.878 2.106 ( -0.000 1.395 -2.849) 3.173 2.124 ( 0.000 1.175 1.443) 1.860 2.236 ( 0.000 -7.991 8.074) 11.360 2.279 ( -0.000 1.338 -1.209) 1.804 2.339 ( 0.000 -5.589 2.281) 6.037 2.496 ( 0.000 3.499 2.179) 4.122 2.686 ( -0.000 5.011 -6.489) 8.199 2.881 ( 0.000 -1.137 0.990) 1.507 2.889 ( 0.000 -0.075 0.087) 0.115 2.978 ( 0.000 0.197 0.517) 0.553 3.030 ( -0.000 1.186 -2.020) 2.343 4.329 ( 0.000 -1.330 0.130) 1.336 4.334 ( 0.000 -1.666 0.307) 1.694 4.399 ( 0.000 0.924 1.359) 1.643 4.526 ( -0.000 -0.049 -1.847) 1.847 4.887 ( 0.000 -0.560 0.412) 0.696 4.930 ( -0.000 -1.204 -0.604) 1.347 5.712 ( 0.000 0.422 0.253) 0.492 5.735 ( -0.000 0.106 -0.218) 0.242 6.626 ( 0.000 -1.942 1.651) 2.550 6.656 ( 0.000 -0.775 -0.106) 0.782 6.699 ( -0.000 0.545 0.105) 0.555 6.724 ( -0.000 1.352 -1.287) 1.867 7.322 ( -0.000 0.583 0.030) 0.584 7.323 ( -0.000 0.475 0.091) 0.484 7.813 ( 0.000 -0.244 -0.005) 0.244 7.814 ( 0.000 -0.265 -0.055) 0.271 12.182 ( 0.000 1.118 1.052) 1.535 12.338 ( -0.000 2.651 -5.326) 5.949 12.453 ( 0.000 2.089 1.209) 2.414 12.569 ( -0.000 1.849 -1.485) 2.371 12.800 ( -0.000 -0.112 -0.282) 0.304 12.810 ( 0.000 -1.756 -0.449) 1.813 12.892 ( 0.000 -0.078 0.363) 0.371 12.931 ( -0.000 -0.193 -0.732) 0.757 ======================= Grid point 131 (51/171) ======================= q-point: ( 0.40 0.20 0.10) 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 1.10e-04 1.10e-04 3.67e-09 3.67e-09 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.534 ( -8.607 7.243 9.481) 14.711 0.654 ( -8.916 10.418 10.415) 17.220 0.873 ( -6.586 6.546 -5.148) 10.617 1.013 ( -28.181 10.300 1.188) 30.028 1.101 ( -21.312 10.028 -0.100) 23.554 1.372 ( 2.027 -0.899 -5.834) 6.241 1.467 ( -7.818 -0.762 -0.742) 7.891 1.493 ( -7.504 0.924 1.949) 7.807 1.659 ( -0.305 -0.672 -0.438) 0.858 1.719 ( 0.003 0.194 1.131) 1.148 1.843 ( 0.069 -3.094 -4.963) 5.849 1.976 ( -5.609 -1.316 -1.759) 6.024 2.088 ( -3.391 -3.061 0.461) 4.592 2.126 ( -1.349 -1.609 -0.633) 2.193 2.167 ( -5.059 2.467 -0.338) 5.638 2.221 ( -4.657 -2.371 0.187) 5.229 2.279 ( 1.138 -1.140 3.884) 4.204 2.341 ( -1.791 -2.312 0.264) 2.937 2.478 ( 5.305 4.111 0.544) 6.734 2.530 ( 10.900 1.266 0.425) 10.982 2.790 ( 7.352 -0.111 -0.516) 7.371 2.845 ( 7.096 0.978 0.319) 7.170 2.912 ( 7.468 -0.242 1.150) 7.560 2.944 ( 8.492 -0.269 -0.538) 8.513 4.365 ( -4.884 -1.736 0.112) 5.185 4.377 ( -5.437 -1.399 0.229) 5.619 4.457 ( -4.420 0.816 1.332) 4.688 4.546 ( -2.859 0.043 -1.593) 3.273 4.857 ( 2.976 -0.664 0.389) 3.074 4.888 ( 3.199 -1.381 -0.609) 3.537 5.668 ( 5.389 0.355 0.243) 5.406 5.682 ( 5.654 -0.005 -0.165) 5.656 6.618 ( -0.297 -0.535 0.578) 0.841 6.656 ( -0.057 -0.111 0.062) 0.139 6.707 ( -0.712 0.257 0.038) 0.758 6.735 ( -1.044 0.527 -0.093) 1.173 7.327 ( -0.574 0.084 0.073) 0.585 7.371 ( -2.477 -0.797 -0.997) 2.787 7.824 ( -1.398 -0.091 0.068) 1.402 7.828 ( -1.651 -0.183 -0.077) 1.662 12.266 ( -5.084 -1.401 -0.700) 5.320 12.368 ( -3.001 0.774 -3.827) 4.925 12.473 ( -0.307 0.804 1.581) 1.800 12.565 ( 1.193 2.092 -1.843) 3.032 12.719 ( 2.911 -2.733 1.107) 4.143 12.876 ( -1.563 -0.326 -1.291) 2.054 12.901 ( -1.405 0.332 0.108) 1.448 12.923 ( 0.119 0.148 -0.631) 0.659 ======================= Grid point 132 (52/171) ======================= q-point: ( 0.50 0.20 0.10) 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 1.10e-04 1.10e-04 3.67e-09 3.67e-09 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.780 ( -9.201 5.117 8.265) 13.385 0.893 ( -6.375 7.260 6.094) 11.423 1.011 ( -6.825 3.551 -4.888) 9.115 1.200 ( 0.307 1.118 -7.877) 7.962 1.413 ( -3.716 0.608 2.610) 4.582 1.552 ( -10.949 2.108 2.974) 11.540 1.603 ( -1.753 0.682 -2.359) 3.017 1.635 ( -4.935 1.784 0.181) 5.250 1.736 ( -3.283 -1.558 -2.371) 4.339 1.823 ( -13.490 1.196 3.066) 13.886 1.898 ( -8.008 0.117 -0.492) 8.024 2.014 ( -7.143 -0.730 -4.053) 8.245 2.122 ( -3.089 -0.330 0.083) 3.108 2.175 ( 5.900 -1.403 3.513) 7.009 2.277 ( -2.626 -1.093 -1.016) 3.020 2.311 ( -14.028 -0.542 -2.889) 14.332 2.327 ( -5.884 3.537 2.146) 7.193 2.384 ( 1.403 1.241 0.012) 1.873 2.420 ( -7.337 -0.487 -0.522) 7.372 2.483 ( -7.072 1.938 0.924) 7.390 2.615 ( 10.763 0.208 -0.617) 10.783 2.675 ( 10.509 -1.075 -0.381) 10.571 2.735 ( 11.594 -1.653 0.496) 11.721 2.754 ( 10.478 0.297 1.633) 10.609 4.463 ( -6.575 -1.486 0.101) 6.742 4.486 ( -6.866 -1.093 0.064) 6.952 4.555 ( -5.104 0.013 0.094) 5.105 4.609 ( -3.769 0.711 -0.489) 3.867 4.777 ( 5.052 -0.898 0.475) 5.153 4.798 ( 5.237 -1.084 -0.269) 5.355 5.524 ( 10.678 0.008 0.039) 10.678 5.531 ( 10.868 -0.100 -0.080) 10.869 6.633 ( -1.313 0.102 -0.095) 1.321 6.664 ( -0.511 0.801 0.194) 0.970 6.725 ( -1.051 -0.225 0.404) 1.148 6.758 ( -1.228 -0.253 -0.261) 1.281 7.340 ( -0.824 -0.270 0.554) 1.029 7.384 ( -0.599 -1.108 -0.979) 1.596 7.860 ( -2.318 0.303 0.161) 2.344 7.866 ( -2.377 0.119 -0.104) 2.382 12.332 ( -3.578 -0.807 -0.101) 3.669 12.398 ( -1.657 -0.991 -1.909) 2.715 12.480 ( 0.299 -0.989 -0.038) 1.034 12.555 ( 0.711 2.766 -0.905) 2.996 12.670 ( 1.589 -1.760 1.893) 3.034 12.867 ( 0.566 -0.907 -1.246) 1.641 12.906 ( 0.388 0.183 -0.082) 0.436 12.939 ( -0.322 0.935 0.214) 1.011 ======================= Grid point 133 (53/171) ======================= q-point: ( 0.60 0.20 0.10) 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 1.10e-04 1.10e-04 3.67e-09 3.67e-09 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.005 ( -8.730 3.055 4.551) 10.308 1.034 ( -4.618 0.212 1.115) 4.755 1.142 ( -8.008 0.581 -1.352) 8.142 1.195 ( -2.765 0.863 -4.860) 5.658 1.464 ( -1.402 -0.303 0.664) 1.581 1.622 ( -0.402 0.962 -0.253) 1.073 1.634 ( -1.115 -1.004 3.039) 3.390 1.710 ( -3.129 -0.047 3.425) 4.639 1.761 ( -2.113 0.383 -4.857) 5.310 1.862 ( 2.281 -2.114 0.603) 3.168 1.998 ( -1.011 -0.942 2.721) 3.052 2.037 ( 6.913 1.244 0.134) 7.025 2.074 ( 6.639 2.633 -2.725) 7.645 2.154 ( 2.550 1.649 -2.673) 4.045 2.255 ( 5.918 1.718 1.320) 6.303 2.289 ( 7.042 0.350 -1.689) 7.250 2.414 ( 3.371 1.336 0.348) 3.643 2.457 ( 6.218 -3.289 1.314) 7.157 2.495 ( 7.141 -1.390 0.119) 7.276 2.514 ( 2.173 1.384 -0.767) 2.688 2.624 ( -10.395 0.796 1.866) 10.591 2.674 ( -8.502 1.057 -0.854) 8.610 2.830 ( -29.686 0.615 0.258) 29.694 2.852 ( -28.037 -0.272 -0.020) 28.038 4.563 ( -4.725 -1.020 0.024) 4.834 4.585 ( -2.475 -0.614 -0.183) 2.556 4.625 ( 1.903 -0.628 -0.397) 2.043 4.634 ( -3.676 -0.207 -0.802) 3.769 4.690 ( 4.778 -0.736 0.532) 4.864 4.731 ( -1.596 0.219 0.802) 1.799 5.291 ( 14.667 -0.106 -0.044) 14.667 5.292 ( 15.072 -0.176 -0.072) 15.074 6.662 ( -1.533 0.557 -0.245) 1.649 6.683 ( -0.669 0.922 0.012) 1.139 6.744 ( -0.969 -0.254 0.921) 1.360 6.771 ( -0.756 -0.742 -0.638) 1.237 7.355 ( -0.643 -0.353 0.815) 1.096 7.379 ( -0.384 -0.992 -0.944) 1.422 7.905 ( -2.082 0.327 0.068) 2.109 7.909 ( -2.129 0.342 -0.035) 2.156 12.378 ( -1.581 -0.731 0.443) 1.797 12.406 ( -1.185 -1.502 -1.067) 2.191 12.458 ( 0.150 -1.282 -0.608) 1.427 12.572 ( 0.142 3.802 -0.632) 3.857 12.641 ( 1.295 -1.559 2.027) 2.866 12.843 ( 0.374 -1.403 -1.225) 1.900 12.900 ( 0.484 0.397 -0.039) 0.627 12.937 ( 1.234 0.574 0.467) 1.439 ======================= Grid point 134 (54/171) ======================= q-point: ( 0.70 0.20 0.10) 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 1.10e-04 1.10e-04 3.67e-09 3.67e-09 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.119 ( -7.021 -2.706 -0.506) 7.542 1.148 ( -5.474 -0.952 -0.587) 5.587 1.271 ( -5.284 -0.341 0.180) 5.298 1.309 ( -10.409 -0.584 0.283) 10.430 1.467 ( 0.412 -0.118 -0.900) 0.997 1.625 ( 0.961 1.052 0.996) 1.738 1.675 ( -2.465 -0.428 2.572) 3.588 1.754 ( 1.632 -0.515 2.206) 2.792 1.780 ( -0.082 1.950 -1.435) 2.422 1.825 ( 1.362 1.793 0.032) 2.252 1.900 ( 8.320 0.316 2.295) 8.636 1.941 ( 5.897 2.177 -0.788) 6.335 1.970 ( 8.098 1.035 -3.907) 9.051 1.998 ( 9.390 0.124 -1.374) 9.490 2.060 ( 4.337 -1.934 -1.041) 4.862 2.278 ( 4.650 -5.950 0.462) 7.565 2.307 ( 0.425 1.991 0.115) 2.039 2.366 ( 5.277 2.274 0.735) 5.793 2.445 ( -0.248 2.349 0.213) 2.371 2.458 ( 0.933 -2.131 0.402) 2.361 2.848 ( -9.069 1.045 0.671) 9.154 2.862 ( -8.408 0.719 -0.910) 8.488 3.348 ( -23.980 0.011 0.278) 23.982 3.357 ( -24.432 0.044 -0.170) 24.432 4.500 ( 4.874 -0.716 -0.338) 4.938 4.559 ( 3.712 0.311 0.150) 3.728 4.661 ( -2.418 -0.673 0.125) 2.513 4.672 ( -2.943 -0.542 -0.035) 2.993 4.694 ( -2.543 -0.688 -0.421) 2.668 4.774 ( -1.361 0.626 0.483) 1.574 5.008 ( 14.664 -0.161 -0.112) 14.665 5.017 ( 14.164 0.013 0.001) 14.164 6.690 ( -0.719 0.538 0.098) 0.903 6.695 ( -0.474 0.269 -0.397) 0.675 6.755 ( 0.286 -0.538 0.488) 0.780 6.781 ( -1.300 0.054 -0.181) 1.314 7.361 ( -0.081 -0.380 0.225) 0.449 7.383 ( -0.836 -0.394 -0.266) 0.962 7.936 ( -1.117 0.113 -0.041) 1.124 7.942 ( -1.131 0.273 0.035) 1.164 12.385 ( -0.327 -1.234 0.442) 1.351 12.402 ( -0.421 -1.764 -1.620) 2.432 12.470 ( -1.249 0.564 1.063) 1.734 12.594 ( 0.438 4.450 -1.302) 4.658 12.614 ( 1.115 -2.115 1.534) 2.841 12.826 ( -0.469 -1.808 -0.830) 2.044 12.895 ( 0.374 0.272 0.099) 0.473 12.914 ( 1.574 0.200 0.187) 1.598 ======================= Grid point 135 (55/171) ======================= q-point: (-0.20 0.20 0.10) 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 1.10e-04 1.10e-04 3.67e-09 3.67e-09 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.226 ( -4.589 -0.648 -0.866) 4.714 1.255 ( -7.481 -1.159 -0.058) 7.571 1.298 ( 3.256 -0.096 -0.294) 3.270 1.432 ( 0.413 0.106 4.761) 4.780 1.491 ( -2.683 0.554 -4.422) 5.202 1.607 ( 2.198 0.744 0.896) 2.487 1.642 ( 5.483 -1.722 -0.205) 5.751 1.680 ( 4.724 -1.570 -0.441) 4.998 1.737 ( 6.880 0.079 0.718) 6.918 1.769 ( 4.199 3.889 -0.604) 5.755 1.803 ( -4.768 -0.969 -0.083) 4.866 1.867 ( -1.753 0.616 -0.570) 1.944 1.947 ( -2.699 1.155 2.291) 3.724 1.986 ( -4.810 0.233 -0.736) 4.872 2.024 ( -0.921 -1.100 -1.217) 1.881 2.177 ( 1.160 -6.907 0.032) 7.003 2.266 ( 2.706 2.722 0.016) 3.838 2.381 ( -0.952 2.259 -0.307) 2.471 2.431 ( -0.176 -1.534 0.755) 1.719 2.478 ( -0.605 2.234 -0.089) 2.316 2.923 ( 1.945 -0.378 -0.089) 1.984 2.937 ( 0.412 -0.525 -0.112) 0.677 3.590 ( 0.430 -0.191 -0.052) 0.473 3.613 ( -0.539 0.245 0.054) 0.595 4.456 ( -1.115 -0.102 -0.102) 1.125 4.525 ( -0.088 0.890 0.164) 0.909 4.685 ( -0.201 -0.345 -0.016) 0.400 4.699 ( -0.341 -0.228 0.079) 0.417 4.718 ( -0.762 -0.535 -0.258) 0.966 4.782 ( 1.131 0.420 0.123) 1.212 4.850 ( -0.308 -0.111 -0.058) 0.333 4.863 ( 0.126 -0.050 0.016) 0.136 6.685 ( 0.566 -0.537 -0.045) 0.781 6.708 ( 0.108 0.220 0.019) 0.246 6.741 ( 0.448 -0.459 -0.142) 0.656 6.806 ( -0.850 0.821 0.173) 1.194 7.358 ( 0.154 -0.191 -0.087) 0.260 7.397 ( -0.787 0.115 0.069) 0.798 7.946 ( 0.024 -0.052 -0.018) 0.060 7.951 ( 0.338 0.007 0.004) 0.338 12.379 ( 0.148 -1.226 -0.094) 1.238 12.399 ( -1.125 -0.934 -0.563) 1.567 12.501 ( -0.775 0.988 0.921) 1.557 12.583 ( 1.007 -2.132 0.749) 2.474 12.616 ( 0.185 4.674 -1.129) 4.812 12.826 ( -1.316 -2.164 -0.347) 2.556 12.890 ( 0.758 0.117 0.440) 0.884 12.894 ( 0.205 -0.072 -0.306) 0.376 ======================= Grid point 136 (56/171) ======================= q-point: (-0.10 0.20 0.10) 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 1.10e-04 1.10e-04 3.67e-09 3.67e-09 Number of triplets: 275 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.080 ( 15.624 -1.717 0.000) 15.718 1.232 ( 7.628 2.136 0.000) 7.922 1.346 ( 2.601 4.151 -0.000) 4.899 1.395 ( 5.830 0.685 0.000) 5.870 1.480 ( 0.416 -4.370 0.000) 4.390 1.512 ( -0.359 0.201 -0.000) 0.411 1.561 ( 0.577 -1.573 0.000) 1.675 1.641 ( 1.131 0.404 -0.000) 1.200 1.774 ( -7.585 0.883 -0.000) 7.636 1.800 ( -4.821 0.282 -0.000) 4.829 1.903 ( -6.378 -2.307 0.000) 6.783 1.971 ( -2.190 1.620 -0.000) 2.724 2.043 ( -5.374 -1.334 -0.000) 5.537 2.053 ( -6.990 -0.734 -0.000) 7.028 2.075 ( -4.530 0.379 -0.000) 4.546 2.147 ( -4.358 -3.647 0.000) 5.682 2.298 ( -4.012 2.087 -0.000) 4.523 2.377 ( 0.173 -2.059 0.000) 2.066 2.474 ( -3.257 2.605 -0.000) 4.170 2.501 ( -0.852 1.486 -0.000) 1.713 2.782 ( 11.945 -1.383 0.000) 12.025 2.836 ( 9.313 -1.282 0.000) 9.401 3.331 ( 24.832 -0.221 0.000) 24.833 3.380 ( 23.278 0.559 0.000) 23.284 4.529 ( -6.079 0.416 -0.000) 6.094 4.581 ( -4.652 1.253 -0.000) 4.818 4.661 ( 2.366 -0.295 0.000) 2.384 4.680 ( 2.297 -0.197 0.000) 2.306 4.711 ( 1.050 -0.406 0.000) 1.125 4.740 ( 3.688 0.174 0.000) 3.692 5.014 ( -14.822 0.010 -0.000) 14.822 5.016 ( -14.353 -0.037 -0.000) 14.353 6.667 ( 0.801 -0.621 0.000) 1.014 6.689 ( 1.496 -0.475 0.000) 1.569 6.736 ( 0.196 0.164 -0.000) 0.256 6.819 ( 0.220 0.754 -0.000) 0.786 7.352 ( 0.409 -0.011 0.000) 0.410 7.412 ( -0.689 0.426 -0.000) 0.810 7.931 ( 1.671 -0.187 0.000) 1.681 7.935 ( 1.131 -0.107 0.000) 1.136 12.366 ( 0.269 -0.878 0.000) 0.919 12.420 ( -1.658 -0.078 -0.000) 1.660 12.516 ( -0.001 0.643 -0.000) 0.643 12.552 ( 0.974 -1.669 0.000) 1.932 12.653 ( -0.768 4.925 -0.000) 4.985 12.836 ( -1.778 -2.690 0.000) 3.225 12.884 ( -0.130 0.106 -0.000) 0.168 12.894 ( -0.175 -0.172 0.000) 0.246 ======================= Grid point 139 (57/171) ======================= q-point: ( 0.20 0.30 0.10) 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 1.10e-04 1.10e-04 3.67e-09 3.67e-09 Number of triplets: 275 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.581 ( 10.542 0.000 12.846) 16.618 0.742 ( 17.033 0.000 3.240) 17.338 1.005 ( 10.450 -0.000 -4.638) 11.433 1.247 ( 1.892 -0.000 -6.562) 6.829 1.377 ( 2.989 0.000 1.440) 3.317 1.466 ( 22.309 0.000 2.941) 22.502 1.612 ( 4.608 -0.000 -2.975) 5.485 1.619 ( 0.090 -0.000 -0.413) 0.423 1.721 ( 8.039 0.000 4.116) 9.031 1.864 ( 18.615 0.000 1.260) 18.657 1.925 ( -0.421 -0.000 -3.164) 3.192 1.992 ( 0.527 -0.000 -4.062) 4.096 2.103 ( -5.243 0.000 4.724) 7.057 2.180 ( -3.801 -0.000 -2.821) 4.734 2.249 ( 11.385 0.000 1.504) 11.484 2.286 ( 3.929 0.000 1.410) 4.174 2.323 ( -2.783 -0.000 -1.082) 2.986 2.351 ( 10.460 -0.000 -1.179) 10.526 2.447 ( 5.101 0.000 0.765) 5.158 2.510 ( 9.044 -0.000 -2.452) 9.370 2.598 ( -11.405 0.000 2.332) 11.641 2.668 ( -8.511 0.000 0.908) 8.560 2.735 ( -9.642 0.000 1.297) 9.729 2.763 ( -11.603 0.000 0.311) 11.607 4.487 ( 6.011 0.000 0.419) 6.025 4.501 ( 6.592 -0.000 -0.075) 6.593 4.545 ( 6.259 0.000 0.772) 6.306 4.610 ( 3.328 -0.000 -1.023) 3.482 4.785 ( -5.465 0.000 0.602) 5.498 4.822 ( -5.832 -0.000 -0.454) 5.849 5.521 ( -10.357 0.000 0.138) 10.358 5.535 ( -10.823 -0.000 -0.215) 10.826 6.633 ( 1.001 0.000 0.407) 1.081 6.641 ( 0.124 0.000 0.017) 0.125 6.721 ( 0.948 0.000 0.784) 1.231 6.771 ( 2.175 -0.000 -0.533) 2.239 7.338 ( 0.754 0.000 0.773) 1.080 7.423 ( 0.238 -0.000 -1.752) 1.769 7.853 ( 1.998 0.000 0.128) 2.002 7.865 ( 2.173 -0.000 -0.198) 2.182 12.352 ( 1.192 -0.000 -0.044) 1.193 12.453 ( 1.406 -0.000 -2.768) 3.105 12.464 ( 1.979 0.000 0.795) 2.133 12.521 ( -1.331 -0.000 -1.643) 2.114 12.784 ( -1.866 0.000 0.765) 2.017 12.849 ( -0.214 -0.000 -1.110) 1.130 12.894 ( 0.045 -0.000 -0.091) 0.102 12.906 ( -1.099 -0.000 -0.622) 1.263 ======================= Grid point 141 (58/171) ======================= q-point: ( 0.40 0.30 0.10) 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 1.10e-04 1.10e-04 3.67e-09 3.67e-09 Number of triplets: 280 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.389 ( 0.000 13.612 6.825) 15.227 0.430 ( 0.000 11.996 9.797) 15.489 0.593 ( -0.000 5.770 2.113) 6.145 0.766 ( 0.000 12.566 14.591) 19.256 0.781 ( -0.000 8.431 -8.266) 11.807 1.373 ( -0.000 -0.809 -13.485) 13.509 1.404 ( 0.000 0.137 1.158) 1.166 1.418 ( 0.000 1.209 2.174) 2.487 1.656 ( -0.000 -0.283 -0.326) 0.432 1.714 ( -0.000 0.515 -1.294) 1.392 1.893 ( 0.000 -2.855 0.062) 2.856 1.926 ( 0.000 -7.514 -1.365) 7.637 2.032 ( -0.000 1.051 -0.457) 1.146 2.079 ( -0.000 1.905 -3.311) 3.820 2.142 ( 0.000 0.445 2.655) 2.692 2.250 ( -0.000 -2.926 -2.437) 3.808 2.303 ( 0.000 -2.972 5.063) 5.870 2.355 ( 0.000 -5.463 1.358) 5.629 2.518 ( 0.000 3.576 2.942) 4.631 2.639 ( -0.000 4.800 -4.741) 6.746 2.887 ( 0.000 -0.821 0.451) 0.937 2.890 ( 0.000 -0.171 0.088) 0.193 2.984 ( 0.000 0.182 0.701) 0.724 3.016 ( -0.000 0.751 -1.343) 1.538 4.330 ( 0.000 -1.340 0.181) 1.352 4.336 ( 0.000 -1.546 0.022) 1.546 4.414 ( 0.000 0.810 2.166) 2.313 4.507 ( -0.000 0.103 -2.507) 2.509 4.892 ( 0.000 -0.799 0.760) 1.103 4.924 ( -0.000 -1.165 -0.834) 1.433 5.715 ( 0.000 0.437 0.377) 0.577 5.732 ( -0.000 0.296 -0.442) 0.532 6.638 ( 0.000 -1.845 1.078) 2.137 6.655 ( 0.000 -0.881 -0.182) 0.899 6.700 ( -0.000 0.614 0.172) 0.637 6.715 ( -0.000 1.305 -0.882) 1.575 7.322 ( -0.000 0.599 0.043) 0.601 7.323 ( -0.000 0.582 0.008) 0.582 7.813 ( 0.000 -0.244 0.005) 0.244 7.814 ( 0.000 -0.260 -0.064) 0.267 12.193 ( 0.000 1.256 1.649) 2.073 12.296 ( -0.000 2.528 -4.605) 5.254 12.469 ( 0.000 1.604 2.368) 2.860 12.554 ( -0.000 1.698 -2.047) 2.659 12.798 ( 0.000 -0.335 -0.110) 0.352 12.806 ( 0.000 -1.462 -0.493) 1.543 12.895 ( 0.000 -0.054 0.545) 0.548 12.924 ( -0.000 -0.128 -0.923) 0.932 ======================= Grid point 142 (59/171) ======================= q-point: ( 0.50 0.30 0.10) 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 1.10e-04 1.10e-04 3.67e-09 3.67e-09 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.609 ( -8.886 7.399 8.330) 14.251 0.745 ( -10.092 6.759 8.859) 15.034 0.832 ( -5.314 7.206 -2.914) 9.416 1.006 ( -22.916 7.450 -3.330) 24.326 1.114 ( -21.447 10.892 3.497) 24.307 1.317 ( -2.662 2.963 -7.058) 8.105 1.461 ( -6.629 -0.363 -0.525) 6.660 1.502 ( -5.840 1.195 0.229) 5.966 1.663 ( -1.985 -1.467 1.280) 2.780 1.726 ( -1.925 0.055 0.355) 1.958 1.809 ( 1.508 -4.233 -3.084) 5.450 1.963 ( -4.468 -1.398 -1.064) 4.801 2.084 ( -5.543 -1.216 -1.011) 5.764 2.124 ( 0.939 -3.939 0.128) 4.051 2.163 ( -7.336 3.026 -0.579) 7.957 2.223 ( -2.715 -1.966 0.245) 3.361 2.307 ( 0.888 0.595 2.475) 2.697 2.344 ( -0.376 -3.699 0.313) 3.731 2.482 ( 6.441 4.657 0.328) 7.955 2.534 ( 8.311 0.002 0.483) 8.325 2.787 ( 7.713 -0.467 -0.219) 7.730 2.847 ( 7.031 0.871 0.199) 7.087 2.921 ( 7.021 -0.309 0.847) 7.079 2.939 ( 8.022 -0.446 -0.502) 8.050 4.366 ( -4.905 -1.791 0.071) 5.223 4.378 ( -5.424 -1.390 0.137) 5.601 4.470 ( -4.002 0.522 1.709) 4.383 4.531 ( -3.303 0.361 -1.894) 3.825 4.861 ( 2.990 -0.857 0.616) 3.171 4.882 ( 3.120 -1.255 -0.751) 3.446 5.671 ( 5.470 0.319 0.316) 5.488 5.680 ( 5.624 0.135 -0.284) 5.633 6.622 ( -0.011 -0.680 0.384) 0.781 6.656 ( -0.132 -0.104 0.051) 0.176 6.708 ( -0.889 0.077 0.034) 0.893 6.735 ( -1.149 0.542 -0.070) 1.272 7.327 ( -0.843 -0.088 0.072) 0.851 7.364 ( -1.983 -0.065 -0.700) 2.104 7.824 ( -1.456 -0.093 0.096) 1.462 7.827 ( -1.620 -0.145 -0.111) 1.630 12.261 ( -4.393 -0.552 -0.341) 4.441 12.339 ( -3.723 1.093 -2.855) 4.817 12.489 ( 0.111 0.772 1.994) 2.141 12.549 ( 0.919 1.917 -1.992) 2.914 12.726 ( 2.589 -2.337 0.662) 3.550 12.866 ( -1.771 -0.136 -0.909) 1.995 12.903 ( -0.929 0.427 0.345) 1.079 12.917 ( -0.054 0.259 -0.697) 0.746 ======================= Grid point 143 (60/171) ======================= q-point: ( 0.60 0.30 0.10) 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 1.10e-04 1.10e-04 3.67e-09 3.67e-09 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.847 ( -8.917 3.539 7.227) 12.011 0.941 ( -5.487 4.686 1.140) 7.305 0.981 ( -6.054 5.365 1.783) 8.284 1.128 ( -0.518 3.029 -9.103) 9.608 1.435 ( -3.211 0.083 2.400) 4.010 1.562 ( -11.465 4.447 -0.592) 12.312 1.586 ( -3.380 -0.089 -1.023) 3.533 1.645 ( -6.066 1.032 1.552) 6.346 1.718 ( 0.350 -3.069 -1.676) 3.514 1.847 ( -11.328 0.855 2.442) 11.620 1.897 ( -15.044 1.879 0.017) 15.161 1.982 ( -3.739 -0.888 -3.179) 4.987 2.120 ( -1.050 -0.026 -0.275) 1.086 2.202 ( 6.725 -1.640 2.523) 7.368 2.271 ( -3.542 -1.515 -0.409) 3.874 2.289 ( -15.446 -0.183 -2.136) 15.594 2.346 ( -6.607 3.336 2.191) 7.719 2.379 ( -1.463 2.372 -1.135) 3.009 2.417 ( -2.824 -1.533 -0.226) 3.221 2.488 ( -7.376 1.949 0.394) 7.640 2.613 ( 10.115 -0.279 -0.095) 10.119 2.672 ( 10.963 -0.990 -0.280) 11.011 2.737 ( 11.582 -2.075 0.133) 11.767 2.765 ( 9.984 0.567 1.015) 10.052 4.464 ( -6.608 -1.572 0.057) 6.793 4.486 ( -6.783 -1.050 0.033) 6.864 4.556 ( -4.655 -0.402 0.076) 4.673 4.605 ( -4.020 1.087 -0.304) 4.176 4.781 ( 4.895 -1.115 0.372) 5.034 4.795 ( 5.106 -0.837 -0.252) 5.180 5.524 ( 10.743 -0.064 0.037) 10.743 5.531 ( 10.848 -0.028 -0.063) 10.848 6.633 ( -1.198 0.018 -0.048) 1.199 6.665 ( -0.513 0.824 0.098) 0.975 6.728 ( -1.383 -0.535 0.298) 1.513 6.756 ( -0.955 0.001 -0.203) 0.976 7.345 ( -1.147 -0.541 0.504) 1.365 7.377 ( -0.376 -0.707 -0.760) 1.104 7.862 ( -2.331 0.275 0.182) 2.355 7.864 ( -2.360 0.182 -0.149) 2.372 12.332 ( -3.945 -0.813 -0.045) 4.028 12.385 ( -1.975 -0.675 -1.171) 2.393 12.480 ( 1.011 -1.428 -0.010) 1.749 12.549 ( 0.412 3.191 -0.420) 3.245 12.682 ( 1.337 -1.539 1.059) 2.297 12.858 ( 0.686 -1.005 -0.743) 1.426 12.905 ( 0.395 0.284 -0.074) 0.492 12.941 ( -0.543 1.053 0.100) 1.189 ======================= Grid point 144 (61/171) ======================= q-point: ( 0.70 0.30 0.10) 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 1.10e-04 1.10e-04 3.67e-09 3.67e-09 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.035 ( -6.307 -0.646 1.741) 6.575 1.044 ( -4.980 1.621 1.171) 5.367 1.138 ( -7.708 1.982 0.562) 7.979 1.158 ( -4.635 1.893 -3.637) 6.188 1.468 ( -0.769 -0.626 0.243) 1.021 1.619 ( -1.005 0.785 -0.232) 1.296 1.664 ( -1.025 -1.817 3.610) 4.170 1.717 ( -2.773 1.201 -3.656) 4.743 1.735 ( -3.848 -0.371 0.801) 3.948 1.866 ( 2.010 -1.859 0.250) 2.749 2.020 ( -1.723 -0.817 1.949) 2.727 2.035 ( 7.555 2.465 -0.235) 7.951 2.056 ( 7.969 1.027 -1.455) 8.166 2.136 ( 2.809 2.122 -1.244) 3.734 2.265 ( 7.998 0.835 1.183) 8.128 2.277 ( 5.791 1.053 -1.317) 6.032 2.416 ( 2.435 1.626 0.118) 2.931 2.467 ( 7.118 -3.583 0.763) 8.006 2.493 ( 4.873 -2.895 -0.362) 5.680 2.510 ( 2.560 3.068 -0.190) 4.001 2.637 ( -11.243 0.558 1.010) 11.302 2.667 ( -6.780 0.818 -0.627) 6.858 2.831 ( -29.899 0.576 0.112) 29.905 2.852 ( -27.652 0.028 -0.017) 27.652 4.563 ( -4.709 -1.085 0.009) 4.833 4.584 ( -2.120 -0.569 -0.073) 2.196 4.622 ( 1.604 -0.640 -0.127) 1.731 4.629 ( -3.531 -0.260 -0.284) 3.552 4.693 ( 4.662 -0.737 0.186) 4.724 4.735 ( -1.702 0.265 0.280) 1.745 5.290 ( 14.641 -0.129 -0.015) 14.642 5.292 ( 15.106 -0.178 -0.029) 15.108 6.660 ( -1.551 0.503 -0.081) 1.632 6.683 ( -0.584 0.888 -0.007) 1.063 6.751 ( -1.406 -0.481 0.605) 1.604 6.765 ( -0.367 -0.448 -0.498) 0.763 7.362 ( -0.743 -0.559 0.910) 1.301 7.371 ( -0.327 -0.784 -0.959) 1.281 7.905 ( -2.025 0.268 0.031) 2.042 7.909 ( -2.171 0.408 -0.018) 2.209 12.382 ( -1.906 -1.136 0.471) 2.268 12.397 ( -0.845 -1.347 -0.784) 1.773 12.456 ( -0.243 -1.187 -0.091) 1.215 12.568 ( 0.537 4.086 -0.274) 4.130 12.654 ( 1.160 -1.639 0.777) 2.153 12.835 ( 0.364 -1.459 -0.484) 1.580 12.900 ( 0.445 0.365 -0.012) 0.576 12.940 ( 1.226 0.586 0.156) 1.368 ======================= Grid point 145 (62/171) ======================= q-point: (-0.20 -0.70 0.10) 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 1.10e-04 1.10e-04 3.67e-09 3.67e-09 Number of triplets: 275 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.117 ( -7.060 -2.844 0.000) 7.612 1.145 ( -4.732 -1.093 -0.000) 4.856 1.272 ( -5.596 -0.276 -0.000) 5.603 1.311 ( -11.101 -0.377 -0.000) 11.107 1.463 ( 0.795 -0.224 0.000) 0.826 1.628 ( 0.666 0.930 -0.000) 1.144 1.690 ( -1.987 -0.416 -0.000) 2.031 1.754 ( -0.487 0.722 -0.000) 0.871 1.783 ( 0.188 -1.396 0.000) 1.409 1.818 ( 4.594 4.153 -0.000) 6.193 1.924 ( 2.935 -0.327 0.000) 2.954 1.932 ( 4.952 2.086 -0.000) 5.373 1.947 ( 13.420 1.805 0.000) 13.541 1.992 ( 8.889 0.097 0.000) 8.889 2.055 ( 4.168 -2.234 0.000) 4.729 2.280 ( 4.994 -6.973 0.000) 8.577 2.307 ( -0.391 2.595 -0.000) 2.624 2.369 ( 6.097 2.621 -0.000) 6.637 2.446 ( -0.714 2.515 -0.000) 2.615 2.460 ( 1.220 -2.120 0.000) 2.446 2.853 ( -8.732 1.012 -0.000) 8.790 2.856 ( -8.760 0.595 -0.000) 8.780 3.350 ( -23.833 -0.149 -0.000) 23.833 3.356 ( -24.549 0.231 -0.000) 24.550 4.498 ( 4.852 -0.752 0.000) 4.910 4.560 ( 3.660 0.378 0.000) 3.680 4.662 ( -2.373 -0.625 -0.000) 2.454 4.672 ( -3.000 -0.558 -0.000) 3.051 4.692 ( -2.515 -0.787 0.000) 2.635 4.776 ( -1.315 0.639 -0.000) 1.462 5.008 ( 14.675 -0.175 0.000) 14.676 5.017 ( 14.152 0.013 0.000) 14.152 6.691 ( -1.229 0.699 -0.000) 1.414 6.693 ( 0.014 0.066 -0.000) 0.067 6.757 ( 0.499 -0.746 0.000) 0.897 6.780 ( -1.489 0.305 -0.000) 1.520 7.362 ( 0.049 -0.491 0.000) 0.493 7.381 ( -0.974 -0.291 0.000) 1.017 7.936 ( -1.113 0.106 -0.000) 1.118 7.942 ( -1.130 0.275 -0.000) 1.163 12.391 ( -0.063 -1.463 0.000) 1.465 12.391 ( -0.652 -1.628 0.000) 1.754 12.475 ( -1.516 0.489 -0.000) 1.593 12.588 ( 0.683 4.565 -0.000) 4.616 12.620 ( 1.150 -2.128 0.000) 2.419 12.823 ( -0.520 -1.837 0.000) 1.909 12.895 ( 0.293 0.212 -0.000) 0.361 12.915 ( 1.645 0.210 0.000) 1.659 ======================= Grid point 150 (63/171) ======================= q-point: ( 0.20 0.40 0.10) 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 1.10e-04 1.10e-04 3.67e-09 3.67e-09 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.850 ( 13.273 -1.617 7.462) 15.313 1.032 ( 13.320 0.291 1.254) 13.382 1.185 ( 11.031 0.699 -3.625) 11.632 1.230 ( 3.314 -0.330 -6.425) 7.237 1.459 ( 2.866 0.094 3.337) 4.399 1.584 ( -2.947 -0.729 -2.059) 3.668 1.621 ( -0.218 -0.112 3.418) 3.427 1.681 ( 3.743 0.472 5.044) 6.299 1.860 ( 1.229 3.221 -3.705) 5.061 1.921 ( -4.142 -0.237 -1.044) 4.278 1.957 ( -4.061 -0.623 -0.003) 4.108 1.980 ( 1.499 -1.188 1.700) 2.559 1.993 ( -7.607 -2.704 -0.945) 8.128 2.150 ( 0.528 -0.359 -4.125) 4.174 2.222 ( -7.833 0.195 1.961) 8.077 2.299 ( -6.482 -0.202 -1.420) 6.639 2.364 ( -7.016 -0.687 1.675) 7.246 2.437 ( -3.519 -0.910 -1.157) 3.814 2.535 ( 5.949 0.876 1.873) 6.298 2.572 ( -4.367 1.987 0.241) 4.803 2.586 ( -0.665 -0.189 1.172) 1.361 2.620 ( 9.566 -2.065 0.103) 9.787 2.815 ( 29.287 -0.079 1.125) 29.308 2.889 ( 26.740 0.718 -1.455) 26.789 4.589 ( 4.940 0.477 0.410) 4.980 4.606 ( 4.514 0.402 -0.281) 4.541 4.638 ( -2.366 -0.055 -0.872) 2.522 4.643 ( 2.733 -0.005 -0.793) 2.845 4.699 ( -1.875 0.264 1.173) 2.228 4.715 ( -3.445 -0.236 0.557) 3.498 5.292 ( -14.708 0.009 0.061) 14.708 5.296 ( -15.061 0.049 -0.092) 15.061 6.650 ( 0.848 -0.148 0.075) 0.864 6.658 ( 1.284 -0.430 0.022) 1.354 6.741 ( 0.775 0.077 1.084) 1.335 6.798 ( 1.259 0.310 -0.991) 1.632 7.354 ( 0.562 0.089 1.025) 1.172 7.414 ( -0.260 0.389 -1.205) 1.293 7.894 ( 2.267 -0.159 0.163) 2.278 7.903 ( 2.023 -0.081 -0.183) 2.033 12.372 ( 0.710 -0.089 1.438) 1.607 12.453 ( -0.294 0.621 -0.094) 0.694 12.489 ( 0.067 0.410 -1.541) 1.596 12.502 ( 0.370 -1.388 -1.856) 2.347 12.740 ( -1.064 4.414 2.038) 4.976 12.849 ( -1.084 -2.680 -0.188) 2.897 12.885 ( -0.748 0.152 -0.405) 0.864 12.895 ( -0.241 -0.726 -0.238) 0.801 ======================= Grid point 151 (64/171) ======================= q-point: ( 0.30 0.40 0.10) 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 1.10e-04 1.10e-04 3.67e-09 3.67e-09 Number of triplets: 280 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.701 ( 7.208 0.000 15.002) 16.644 0.775 ( 15.858 0.000 4.419) 16.463 0.962 ( 11.244 -0.000 -5.370) 12.460 1.176 ( 0.323 -0.000 -10.136) 10.141 1.395 ( 6.541 0.000 2.811) 7.120 1.485 ( 21.179 0.000 1.103) 21.208 1.591 ( 4.346 -0.000 -1.702) 4.667 1.615 ( 2.730 -0.000 -0.490) 2.774 1.760 ( 7.906 0.000 4.976) 9.342 1.870 ( 17.060 0.000 0.151) 17.061 1.903 ( 0.455 -0.000 -2.176) 2.223 1.954 ( 0.796 -0.000 -4.715) 4.781 2.137 ( -7.267 0.000 3.238) 7.956 2.163 ( -5.443 -0.000 -1.260) 5.587 2.265 ( 10.777 0.000 2.169) 10.994 2.293 ( 5.389 0.000 0.426) 5.406 2.312 ( 0.998 -0.000 -1.357) 1.684 2.339 ( 9.440 -0.000 -1.576) 9.570 2.454 ( 3.572 0.000 0.853) 3.672 2.491 ( 6.463 -0.000 -1.929) 6.745 2.619 ( -10.206 0.000 2.510) 10.511 2.671 ( -8.284 -0.000 -0.144) 8.286 2.747 ( -9.910 0.000 1.496) 10.022 2.765 ( -11.206 0.000 0.276) 11.209 4.490 ( 6.031 0.000 0.435) 6.047 4.500 ( 6.473 -0.000 -0.139) 6.474 4.553 ( 5.811 0.000 1.103) 5.915 4.600 ( 3.569 -0.000 -1.306) 3.800 4.791 ( -5.329 0.000 0.760) 5.383 4.817 ( -5.682 -0.000 -0.637) 5.717 5.523 ( -10.404 0.000 0.205) 10.406 5.532 ( -10.744 -0.000 -0.282) 10.748 6.636 ( 0.740 0.000 0.358) 0.822 6.641 ( 0.177 0.000 0.004) 0.177 6.729 ( 1.049 0.000 1.059) 1.490 6.765 ( 1.966 -0.000 -0.782) 2.115 7.346 ( 0.897 0.000 1.155) 1.462 7.406 ( 0.708 -0.000 -2.075) 2.193 7.854 ( 2.029 0.000 0.190) 2.038 7.863 ( 2.155 -0.000 -0.259) 2.171 12.353 ( 2.152 0.000 0.413) 2.191 12.425 ( 2.963 -0.000 -3.485) 4.574 12.472 ( 1.060 0.000 0.962) 1.432 12.509 ( -1.501 -0.000 -1.336) 2.010 12.792 ( -1.272 0.000 1.087) 1.673 12.839 ( 0.280 -0.000 -1.386) 1.414 12.893 ( -0.087 -0.000 -0.055) 0.103 12.901 ( -1.038 -0.000 -0.560) 1.180 ======================= Grid point 153 (65/171) ======================= q-point: ( 0.50 0.40 0.10) 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 1.10e-04 1.10e-04 3.67e-09 3.67e-09 Number of triplets: 275 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.447 ( 0.000 12.129 6.706) 13.860 0.500 ( -0.000 13.266 5.352) 14.305 0.592 ( -0.000 5.300 0.335) 5.311 0.707 ( -0.000 8.503 -9.013) 12.392 0.917 ( 0.000 8.403 19.687) 21.405 1.241 ( -0.000 1.957 -17.373) 17.483 1.416 ( 0.000 0.451 1.477) 1.544 1.431 ( -0.000 0.984 0.466) 1.089 1.661 ( 0.000 -0.773 1.526) 1.710 1.700 ( -0.000 -0.516 -2.120) 2.182 1.897 ( 0.000 -3.864 0.924) 3.973 1.916 ( 0.000 -6.462 -1.110) 6.556 2.030 ( -0.000 1.569 0.085) 1.571 2.053 ( -0.000 2.210 -2.715) 3.501 2.167 ( 0.000 -0.050 3.309) 3.310 2.225 ( -0.000 -1.099 -3.242) 3.423 2.338 ( 0.000 -4.153 3.019) 5.135 2.361 ( 0.000 -5.080 0.088) 5.081 2.545 ( 0.000 3.512 3.282) 4.807 2.603 ( -0.000 4.040 -3.778) 5.531 2.890 ( 0.000 -0.577 0.188) 0.607 2.890 ( 0.000 -0.282 0.048) 0.286 2.990 ( 0.000 0.181 0.830) 0.849 3.006 ( -0.000 0.404 -1.055) 1.130 4.332 ( 0.000 -1.355 0.209) 1.371 4.335 ( 0.000 -1.441 -0.137) 1.448 4.435 ( 0.000 0.643 2.715) 2.790 4.484 ( -0.000 0.281 -2.890) 2.904 4.899 ( 0.000 -0.951 0.962) 1.353 4.916 ( -0.000 -1.114 -0.983) 1.486 5.719 ( 0.000 0.448 0.483) 0.659 5.728 ( -0.000 0.400 -0.544) 0.676 6.645 ( 0.000 -1.544 0.687) 1.690 6.653 ( 0.000 -1.040 -0.287) 1.079 6.702 ( -0.000 0.723 0.260) 0.769 6.709 ( -0.000 1.090 -0.582) 1.235 7.322 ( -0.000 0.618 0.051) 0.620 7.323 ( -0.000 0.627 -0.035) 0.628 7.813 ( 0.000 -0.246 0.022) 0.247 7.813 ( 0.000 -0.254 -0.059) 0.261 12.210 ( 0.000 1.448 2.300) 2.718 12.260 ( -0.000 2.075 -3.751) 4.287 12.491 ( 0.000 1.412 2.657) 3.009 12.535 ( -0.000 1.539 -2.435) 2.880 12.798 ( 0.000 -0.570 0.067) 0.574 12.802 ( 0.000 -1.141 -0.414) 1.213 12.901 ( 0.000 -0.035 0.728) 0.729 12.915 ( -0.000 -0.071 -0.965) 0.968 ======================= Grid point 154 (66/171) ======================= q-point: ( 0.60 0.40 0.10) 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 1.10e-04 1.10e-04 3.67e-09 3.67e-09 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.675 ( -9.269 7.598 7.091) 13.925 0.745 ( -7.852 6.451 -5.507) 11.558 0.874 ( -10.345 5.391 9.095) 14.792 0.960 ( -17.744 6.307 -6.895) 20.054 1.151 ( -15.313 8.864 4.144) 18.173 1.260 ( -11.495 8.026 -5.293) 14.986 1.459 ( -5.023 -0.219 -0.043) 5.028 1.500 ( -4.933 1.039 -0.327) 5.051 1.676 ( -2.943 -1.945 1.165) 3.715 1.725 ( -4.133 0.105 -0.310) 4.146 1.792 ( 3.253 -4.906 -0.993) 5.970 1.958 ( -3.701 -1.551 -0.328) 4.026 2.076 ( -5.885 -0.252 -0.541) 5.915 2.126 ( 1.652 -5.135 0.130) 5.396 2.159 ( -8.372 3.220 -0.338) 8.976 2.225 ( -2.367 -1.418 0.160) 2.764 2.320 ( 0.324 2.720 0.689) 2.825 2.346 ( 0.955 -5.673 0.245) 5.758 2.483 ( 6.936 4.809 0.104) 8.441 2.537 ( 7.007 -0.568 0.208) 7.033 2.786 ( 7.860 -0.687 -0.051) 7.890 2.848 ( 7.029 0.831 0.070) 7.078 2.926 ( 6.805 -0.320 0.378) 6.823 2.936 ( 7.737 -0.566 -0.274) 7.763 4.367 ( -4.910 -1.817 0.024) 5.235 4.379 ( -5.433 -1.378 0.042) 5.605 4.484 ( -3.362 0.005 1.307) 3.607 4.516 ( -3.957 0.894 -1.373) 4.283 4.867 ( 3.092 -1.099 0.634) 3.342 4.875 ( 2.993 -1.056 -0.677) 3.245 5.673 ( 5.591 0.244 0.271) 5.603 5.678 ( 5.521 0.271 -0.265) 5.534 6.624 ( 0.136 -0.736 0.130) 0.760 6.657 ( -0.176 -0.099 0.020) 0.203 6.708 ( -1.001 -0.035 0.014) 1.002 6.734 ( -1.201 0.555 -0.026) 1.323 7.328 ( -1.049 -0.223 0.032) 1.073 7.360 ( -1.624 0.344 -0.249) 1.679 7.825 ( -1.524 -0.106 0.113) 1.532 7.826 ( -1.567 -0.110 -0.121) 1.576 12.260 ( -3.715 -0.016 -0.052) 3.715 12.322 ( -4.305 1.127 -1.066) 4.576 12.505 ( 0.780 0.427 1.577) 1.810 12.533 ( 0.316 2.118 -1.557) 2.648 12.730 ( 2.403 -2.108 0.216) 3.204 12.861 ( -1.793 -0.061 -0.317) 1.822 12.906 ( -0.557 0.411 0.525) 0.868 12.911 ( -0.311 0.366 -0.653) 0.811 ======================= Grid point 155 (67/171) ======================= q-point: (-0.30 -0.60 0.10) 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 1.10e-04 1.10e-04 3.67e-09 3.67e-09 Number of triplets: 275 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.896 ( -7.696 3.140 -0.000) 8.312 0.912 ( -8.736 3.261 -0.000) 9.325 1.033 ( -2.688 4.503 -0.000) 5.244 1.060 ( -1.469 5.574 -0.000) 5.764 1.447 ( -2.607 -0.377 -0.000) 2.635 1.556 ( -10.806 5.561 -0.000) 12.153 1.583 ( -5.227 -0.352 -0.000) 5.239 1.653 ( -6.632 0.640 -0.000) 6.663 1.710 ( 1.657 -3.444 0.000) 3.822 1.859 ( -7.885 -0.188 -0.000) 7.888 1.897 ( -22.247 3.921 -0.000) 22.590 1.967 ( -0.360 -1.554 0.000) 1.595 2.119 ( -0.239 0.264 -0.000) 0.356 2.213 ( 8.112 -2.148 0.000) 8.391 2.270 ( -3.784 -1.606 0.000) 4.111 2.279 ( -17.274 0.183 -0.000) 17.275 2.360 ( -8.578 3.244 -0.000) 9.171 2.369 ( -1.124 2.781 -0.000) 2.999 2.416 ( -0.782 -1.903 0.000) 2.057 2.490 ( -7.404 1.977 -0.000) 7.664 2.613 ( 9.777 -0.484 0.000) 9.789 2.671 ( 11.156 -0.940 0.000) 11.195 2.737 ( 11.525 -2.169 0.000) 11.727 2.770 ( 9.859 0.600 0.000) 9.878 4.464 ( -6.622 -1.603 -0.000) 6.813 4.486 ( -6.753 -1.034 -0.000) 6.832 4.556 ( -4.463 -0.578 -0.000) 4.501 4.604 ( -4.138 1.247 -0.000) 4.322 4.782 ( 4.842 -1.270 0.000) 5.006 4.794 ( 5.053 -0.669 0.000) 5.097 5.524 ( 10.774 -0.098 0.000) 10.774 5.530 ( 10.833 0.006 0.000) 10.833 6.632 ( -1.159 -0.011 -0.000) 1.159 6.665 ( -0.509 0.831 -0.000) 0.974 6.730 ( -1.547 -0.686 0.000) 1.692 6.755 ( -0.814 0.131 -0.000) 0.825 7.348 ( -1.370 -0.724 0.000) 1.550 7.373 ( -0.188 -0.477 0.000) 0.513 7.863 ( -2.330 0.193 -0.000) 2.338 7.863 ( -2.361 0.278 -0.000) 2.377 12.332 ( -4.110 -0.834 -0.000) 4.194 12.380 ( -2.046 -0.538 -0.000) 2.116 12.480 ( 1.270 -1.579 0.000) 2.026 12.548 ( 0.297 3.338 -0.000) 3.352 12.687 ( 1.230 -1.453 0.000) 1.903 12.855 ( 0.738 -1.046 0.000) 1.280 12.905 ( 0.394 0.319 -0.000) 0.507 12.941 ( -0.617 1.097 -0.000) 1.258 ======================= Grid point 161 (68/171) ======================= q-point: ( 0.20 0.50 0.10) 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 1.10e-04 1.10e-04 3.67e-09 3.67e-09 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.121 ( 11.984 -0.749 2.647) 12.296 1.216 ( 8.374 1.592 -2.381) 8.850 1.309 ( 4.940 1.396 -0.222) 5.138 1.347 ( 7.294 1.102 -1.484) 7.525 1.492 ( 0.547 1.071 -0.628) 1.357 1.545 ( -0.458 -2.615 1.140) 2.889 1.635 ( -1.313 -1.141 5.637) 5.899 1.720 ( -2.432 0.379 2.741) 3.684 1.770 ( -2.807 1.140 0.991) 3.187 1.807 ( -5.398 -0.896 -0.211) 5.476 1.872 ( -5.828 -1.242 -1.044) 6.050 1.923 ( -0.328 -0.323 -3.977) 4.003 1.985 ( -3.406 -0.206 -1.826) 3.870 2.018 ( -11.795 0.213 -2.269) 12.013 2.105 ( -3.735 1.260 1.245) 4.134 2.191 ( -2.636 -3.652 2.312) 5.062 2.303 ( -3.726 0.909 0.069) 3.836 2.365 ( -1.119 -2.677 -1.163) 3.126 2.466 ( -3.299 3.569 0.048) 4.860 2.510 ( -1.584 0.962 0.256) 1.870 2.802 ( 11.148 -1.062 1.301) 11.274 2.835 ( 9.659 -1.062 -0.295) 9.722 3.340 ( 24.635 -0.109 0.711) 24.645 3.370 ( 23.710 0.358 -0.787) 23.726 4.529 ( -5.470 0.838 0.148) 5.536 4.568 ( -4.754 0.473 -0.839) 4.851 4.664 ( 2.426 -0.128 0.114) 2.432 4.678 ( 2.378 -0.168 -0.096) 2.386 4.719 ( 1.855 0.579 0.466) 1.998 4.748 ( 2.238 -0.553 0.369) 2.334 5.013 ( -14.720 0.103 -0.031) 14.720 5.016 ( -14.428 -0.068 -0.002) 14.428 6.670 ( 0.973 -0.437 0.238) 1.093 6.684 ( 1.252 -0.478 -0.312) 1.376 6.754 ( 0.201 0.184 1.284) 1.312 6.803 ( 0.209 0.553 -1.201) 1.339 7.364 ( 0.188 0.144 0.883) 0.915 7.400 ( -0.377 0.314 -0.857) 0.987 7.932 ( 1.546 -0.131 0.051) 1.552 7.934 ( 1.296 -0.150 -0.018) 1.305 12.390 ( 0.272 -0.137 1.730) 1.756 12.440 ( -1.040 -0.366 1.448) 1.820 12.473 ( -0.036 1.103 -2.396) 2.638 12.515 ( 0.467 -1.759 -2.428) 3.035 12.704 ( -0.435 4.571 2.540) 5.248 12.846 ( -1.021 -1.988 0.132) 2.239 12.875 ( -0.119 -0.007 0.030) 0.123 12.894 ( -0.302 -0.646 -0.288) 0.769 ======================= Grid point 162 (69/171) ======================= q-point: ( 0.30 0.50 0.10) 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 1.10e-04 1.10e-04 3.67e-09 3.67e-09 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.919 ( 10.518 -1.269 8.458) 13.556 1.043 ( 11.283 0.186 0.915) 11.322 1.155 ( 11.769 0.484 -3.400) 12.260 1.174 ( 5.932 -0.295 -6.492) 8.799 1.485 ( 2.094 0.599 2.782) 3.533 1.565 ( -1.518 -1.283 -2.353) 3.080 1.655 ( 1.681 0.159 4.600) 4.900 1.720 ( 4.484 0.331 3.637) 5.783 1.827 ( 0.756 3.814 -3.607) 5.304 1.908 ( -2.784 -2.454 -2.061) 4.245 1.951 ( -9.889 0.715 -0.789) 9.946 1.989 ( -9.009 -2.847 -0.179) 9.450 2.004 ( 4.030 -0.482 3.454) 5.329 2.113 ( 2.117 -0.615 -4.479) 4.992 2.239 ( -7.871 0.239 1.917) 8.105 2.286 ( -7.479 -0.121 -1.587) 7.647 2.378 ( -5.814 -0.275 1.559) 6.025 2.427 ( -3.243 -1.394 -1.237) 3.740 2.549 ( 2.325 1.815 1.436) 3.281 2.573 ( -4.016 2.025 0.122) 4.500 2.596 ( 3.006 -1.173 1.213) 3.447 2.620 ( 8.401 -1.978 -0.198) 8.633 2.826 ( 28.785 0.200 1.517) 28.825 2.875 ( 26.954 0.495 -1.760) 27.016 4.593 ( 4.914 0.563 0.427) 4.964 4.604 ( 4.376 0.404 -0.317) 4.406 4.632 ( -1.655 -0.101 -0.445) 1.716 4.637 ( 1.398 0.008 -0.670) 1.550 4.707 ( -2.360 0.442 0.765) 2.520 4.719 ( -2.172 -0.439 0.396) 2.251 5.293 ( -14.758 0.028 0.082) 14.759 5.296 ( -14.998 0.042 -0.108) 14.998 6.651 ( 0.965 -0.011 0.086) 0.969 6.657 ( 1.092 -0.529 -0.020) 1.213 6.752 ( 0.842 0.113 1.364) 1.607 6.788 ( 1.139 0.252 -1.277) 1.729 7.364 ( 0.500 0.143 1.323) 1.422 7.402 ( -0.022 0.332 -1.468) 1.505 7.896 ( 2.235 -0.149 0.209) 2.250 7.902 ( 2.079 -0.101 -0.225) 2.094 12.387 ( 1.074 0.133 1.982) 2.259 12.448 ( 1.251 0.864 -1.452) 2.102 12.477 ( -1.328 -0.211 -0.929) 1.635 12.490 ( 0.188 -1.127 -1.175) 1.639 12.757 ( -0.579 4.676 1.900) 5.080 12.845 ( -0.709 -2.512 -0.690) 2.700 12.883 ( -0.762 -0.285 0.060) 0.816 12.893 ( -0.301 -0.849 -0.366) 0.973 ======================= Grid point 163 (70/171) ======================= q-point: ( 0.40 0.50 0.10) 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 1.10e-04 1.10e-04 3.67e-09 3.67e-09 Number of triplets: 275 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.816 ( 14.425 0.000 5.163) 15.322 0.828 ( 4.405 0.000 14.431) 15.088 0.917 ( 12.239 -0.000 -4.689) 13.106 1.079 ( 0.972 -0.000 -12.750) 12.787 1.423 ( 8.613 0.000 3.585) 9.329 1.480 ( 15.595 -0.000 -2.195) 15.749 1.588 ( 7.824 0.000 0.821) 7.867 1.609 ( 6.031 -0.000 -0.965) 6.107 1.803 ( 7.706 0.000 5.156) 9.272 1.865 ( 14.473 -0.000 -1.432) 14.544 1.889 ( 1.758 -0.000 -0.841) 1.949 1.916 ( 0.715 -0.000 -4.146) 4.208 2.156 ( -8.361 0.000 1.296) 8.461 2.158 ( -6.846 0.000 0.051) 6.847 2.285 ( 9.568 0.000 2.449) 9.876 2.295 ( 6.369 0.000 0.027) 6.369 2.302 ( 4.950 -0.000 -0.989) 5.047 2.324 ( 9.017 -0.000 -1.961) 9.227 2.461 ( 2.758 0.000 0.835) 2.882 2.478 ( 4.264 -0.000 -1.308) 4.460 2.639 ( -9.349 0.000 2.202) 9.605 2.666 ( -8.445 -0.000 -0.978) 8.501 2.758 ( -10.162 0.000 1.076) 10.219 2.767 ( -10.798 0.000 0.019) 10.798 4.494 ( 6.107 0.000 0.369) 6.118 4.499 ( 6.345 -0.000 -0.207) 6.349 4.564 ( 5.228 0.000 1.337) 5.396 4.588 ( 4.006 -0.000 -1.442) 4.257 4.797 ( -5.296 0.000 0.834) 5.361 4.811 ( -5.515 -0.000 -0.768) 5.568 5.525 ( -10.472 0.000 0.264) 10.475 5.530 ( -10.651 -0.000 -0.311) 10.656 6.639 ( 0.526 0.000 0.234) 0.575 6.641 ( 0.256 -0.000 -0.037) 0.259 6.738 ( 1.217 0.000 1.178) 1.694 6.757 ( 1.711 -0.000 -0.996) 1.979 7.358 ( 1.033 0.000 1.521) 1.839 7.389 ( 1.005 -0.000 -2.063) 2.295 7.856 ( 2.064 0.000 0.242) 2.078 7.861 ( 2.130 -0.000 -0.285) 2.149 12.360 ( 3.037 0.000 1.198) 3.265 12.397 ( 3.693 -0.000 -3.113) 4.830 12.480 ( 0.152 0.000 1.031) 1.042 12.498 ( -1.232 -0.000 -1.142) 1.680 12.802 ( -0.612 0.000 1.329) 1.463 12.826 ( 0.325 -0.000 -1.494) 1.529 12.893 ( -0.294 0.000 0.051) 0.298 12.897 ( -0.843 -0.000 -0.398) 0.932 ======================= Grid point 165 (71/171) ======================= q-point: (-0.40 -0.50 0.10) 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 1.10e-04 1.10e-04 3.67e-09 3.67e-09 Number of triplets: 155 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.497 ( -0.000 11.836 -4.095) 12.524 0.497 ( -0.000 11.836 4.095) 12.524 0.633 ( -0.000 7.747 -8.027) 11.156 0.633 ( 0.000 7.747 8.027) 11.156 1.084 ( -0.000 4.874 -19.452) 20.053 1.084 ( 0.000 4.874 19.452) 20.053 1.427 ( -0.000 0.742 -1.016) 1.258 1.427 ( 0.000 0.742 1.016) 1.258 1.679 ( -0.000 -0.927 -2.471) 2.639 1.679 ( 0.000 -0.927 2.471) 2.639 1.906 ( 0.000 -5.151 -0.692) 5.198 1.906 ( 0.000 -5.151 0.692) 5.198 2.035 ( -0.000 2.081 -1.150) 2.377 2.035 ( 0.000 2.081 1.150) 2.377 2.196 ( -0.000 -0.470 -3.421) 3.453 2.196 ( 0.000 -0.470 3.421) 3.453 2.356 ( 0.000 -4.609 -1.017) 4.720 2.356 ( 0.000 -4.609 1.017) 4.720 2.573 ( -0.000 3.592 -3.284) 4.867 2.573 ( 0.000 3.592 3.284) 4.867 2.891 ( 0.000 -0.409 -0.002) 0.409 2.891 ( 0.000 -0.409 0.002) 0.409 2.998 ( -0.000 0.235 -0.902) 0.932 2.998 ( 0.000 0.235 0.902) 0.932 4.334 ( 0.000 -1.384 -0.184) 1.396 4.334 ( 0.000 -1.384 0.184) 1.396 4.459 ( -0.000 0.465 -2.956) 2.993 4.459 ( 0.000 0.465 2.956) 2.993 4.908 ( -0.000 -1.047 -1.031) 1.469 4.908 ( 0.000 -1.047 1.031) 1.469 5.723 ( -0.000 0.442 -0.548) 0.704 5.723 ( 0.000 0.442 0.548) 0.704 6.650 ( 0.000 -1.261 -0.314) 1.300 6.650 ( 0.000 -1.261 0.314) 1.300 6.705 ( -0.000 0.882 -0.276) 0.924 6.705 ( -0.000 0.882 0.276) 0.924 7.323 ( -0.000 0.632 -0.008) 0.632 7.323 ( -0.000 0.632 0.008) 0.632 7.813 ( 0.000 -0.249 -0.043) 0.253 7.813 ( 0.000 -0.249 0.043) 0.253 12.232 ( -0.000 1.710 -2.923) 3.387 12.232 ( 0.000 1.710 2.923) 3.387 12.513 ( -0.000 1.422 -2.642) 3.000 12.513 ( 0.000 1.422 2.642) 3.000 12.800 ( 0.000 -0.837 -0.055) 0.838 12.800 ( 0.000 -0.837 0.055) 0.838 12.908 ( -0.000 -0.038 -0.881) 0.882 12.908 ( 0.000 -0.038 0.881) 0.882 ======================= Grid point 172 (72/171) ======================= q-point: ( 0.20 0.60 0.10) 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 1.10e-04 1.10e-04 3.67e-09 3.67e-09 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.238 ( -1.891 -0.280 -0.166) 1.919 1.284 ( -2.328 -0.503 -1.817) 2.995 1.311 ( -1.311 1.666 2.033) 2.937 1.379 ( -1.054 -0.738 4.067) 4.266 1.517 ( -0.137 0.041 -4.536) 4.538 1.600 ( 1.246 0.473 1.450) 1.970 1.613 ( -0.209 -3.750 -1.412) 4.012 1.689 ( 0.146 0.439 -1.524) 1.593 1.743 ( -1.346 0.892 2.510) 2.985 1.792 ( 3.338 3.158 0.586) 4.633 1.831 ( 0.254 0.624 0.057) 0.676 1.859 ( -0.357 -0.064 -1.459) 1.503 1.902 ( 3.869 -0.590 2.389) 4.585 1.995 ( 2.986 -0.000 -1.683) 3.428 2.055 ( -1.178 0.784 0.787) 1.619 2.199 ( -0.912 -3.441 1.744) 3.964 2.263 ( 0.499 -0.293 0.256) 0.633 2.372 ( -0.596 0.947 -2.943) 3.148 2.403 ( -0.539 0.272 0.796) 0.999 2.479 ( -1.365 0.870 -0.063) 1.620 2.929 ( 1.087 0.093 0.297) 1.130 2.944 ( 1.316 -0.195 0.234) 1.351 3.595 ( -0.058 0.050 0.281) 0.291 3.608 ( -0.215 -0.011 -0.293) 0.364 4.466 ( -0.374 0.499 0.570) 0.845 4.511 ( -0.386 -0.015 -0.746) 0.840 4.683 ( -0.416 -0.225 -0.106) 0.484 4.698 ( -0.266 -0.291 0.077) 0.402 4.736 ( -0.066 0.290 0.859) 0.909 4.772 ( -0.024 -0.087 -0.592) 0.598 4.853 ( 0.088 0.079 0.098) 0.154 4.862 ( 0.112 -0.107 -0.023) 0.157 6.690 ( 0.654 -0.277 0.404) 0.817 6.703 ( 0.618 -0.042 -0.436) 0.757 6.755 ( -0.512 0.223 0.890) 1.051 6.791 ( -0.493 0.120 -0.872) 1.009 7.365 ( -0.293 0.222 0.324) 0.490 7.391 ( -0.307 -0.230 -0.279) 0.475 7.947 ( 0.160 0.024 0.063) 0.174 7.950 ( 0.207 -0.015 -0.027) 0.210 12.394 ( -0.354 0.002 1.109) 1.164 12.438 ( -0.678 -0.329 0.689) 1.021 12.457 ( 0.064 -0.012 -0.013) 0.066 12.527 ( 0.673 -1.891 -3.084) 3.679 12.672 ( -0.579 4.382 1.868) 4.798 12.847 ( -0.580 -1.757 0.667) 1.967 12.879 ( 0.604 0.370 -0.092) 0.714 12.895 ( 0.249 -0.231 -0.281) 0.442 ======================= Grid point 173 (73/171) ======================= q-point: ( 0.30 0.60 0.10) 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 1.10e-04 1.10e-04 3.67e-09 3.67e-09 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.144 ( 9.864 -0.180 2.793) 10.253 1.192 ( 7.711 0.926 -2.914) 8.295 1.310 ( 7.341 1.789 0.284) 7.561 1.338 ( 9.516 0.799 -0.604) 9.568 1.488 ( -0.760 1.358 -0.371) 1.600 1.551 ( -1.050 -2.947 0.314) 3.144 1.683 ( -3.162 -0.684 5.415) 6.308 1.732 ( -7.025 0.234 0.317) 7.036 1.780 ( 1.401 1.527 0.935) 2.273 1.800 ( -2.832 -0.702 -1.109) 3.121 1.869 ( -3.579 -1.360 0.232) 3.836 1.892 ( 0.282 -1.342 -2.865) 3.176 1.974 ( -7.745 0.485 -0.797) 7.801 1.999 ( -11.073 0.094 -2.009) 11.254 2.114 ( -3.424 1.977 0.850) 4.044 2.206 ( -0.845 -3.722 1.228) 4.009 2.305 ( -4.881 0.107 0.508) 4.908 2.353 ( -1.411 -2.362 -1.370) 3.074 2.468 ( -3.268 3.647 0.216) 4.902 2.511 ( -1.772 0.800 0.098) 1.946 2.813 ( 10.686 -0.933 1.246) 10.799 2.831 ( 9.949 -0.997 -0.623) 10.018 3.347 ( 24.473 -0.016 0.870) 24.488 3.362 ( 23.959 0.231 -0.917) 23.978 4.531 ( -5.190 1.150 0.203) 5.320 4.561 ( -4.855 0.052 -0.622) 4.895 4.665 ( 2.421 0.043 0.070) 2.422 4.677 ( 2.442 -0.273 -0.060) 2.458 4.723 ( 2.088 0.909 0.305) 2.298 4.751 ( 1.768 -0.804 0.203) 1.953 5.013 ( -14.693 0.137 -0.020) 14.693 5.016 ( -14.446 -0.076 -0.001) 14.446 6.672 ( 1.100 -0.338 0.248) 1.177 6.682 ( 1.106 -0.517 -0.292) 1.255 6.766 ( 0.182 0.249 1.473) 1.505 6.792 ( 0.219 0.426 -1.422) 1.501 7.372 ( -0.005 0.274 0.963) 1.001 7.393 ( -0.149 0.200 -0.947) 0.979 7.932 ( 1.462 -0.094 0.037) 1.465 7.934 ( 1.396 -0.182 -0.017) 1.408 12.406 ( 0.128 0.361 1.871) 1.910 12.449 ( 0.306 1.341 -0.773) 1.578 12.458 ( -0.790 -1.043 0.503) 1.402 12.494 ( 0.121 -1.647 -2.509) 3.004 12.722 ( -0.395 4.718 1.610) 5.001 12.845 ( -0.488 -1.441 -0.306) 1.552 12.879 ( -0.375 -0.567 0.632) 0.928 12.890 ( -0.322 -0.726 -0.552) 0.967 ======================= Grid point 174 (74/171) ======================= q-point: ( 0.40 0.60 0.10) 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 1.10e-04 1.10e-04 3.67e-09 3.67e-09 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.988 ( 7.837 -0.792 7.599) 10.945 1.038 ( 7.705 -0.419 -2.868) 8.232 1.128 ( 11.647 0.491 -2.732) 11.973 1.133 ( 11.507 -0.118 -2.115) 11.701 1.505 ( 0.870 1.572 1.661) 2.446 1.547 ( 0.082 -2.302 -1.587) 2.797 1.695 ( 3.889 0.451 4.574) 6.021 1.730 ( 5.292 -0.198 -1.771) 5.584 1.809 ( -1.431 5.096 -0.481) 5.315 1.891 ( -2.340 -4.270 -1.464) 5.084 1.947 ( -10.866 1.748 -0.233) 11.008 1.988 ( -10.126 -3.103 -0.013) 10.590 2.035 ( 4.031 0.123 3.621) 5.420 2.077 ( 3.138 -1.137 -3.961) 5.180 2.254 ( -7.555 0.438 1.581) 7.731 2.272 ( -8.412 -0.263 -1.482) 8.545 2.389 ( -4.263 0.516 0.905) 4.388 2.418 ( -4.164 -2.187 -0.795) 4.770 2.558 ( 0.333 2.427 0.572) 2.516 2.574 ( -4.091 1.975 -0.013) 4.542 2.605 ( 7.499 -1.886 0.823) 7.776 2.617 ( 5.845 -1.809 -0.431) 6.134 2.840 ( 28.405 0.710 1.488) 28.453 2.860 ( 27.123 0.024 -1.575) 27.169 4.596 ( 4.929 0.707 0.280) 4.987 4.601 ( 4.286 0.317 -0.236) 4.305 4.630 ( -0.907 -0.075 0.008) 0.910 4.632 ( 0.295 -0.043 -0.399) 0.499 4.712 ( -2.685 0.598 0.265) 2.764 4.721 ( -1.417 -0.608 0.141) 1.548 5.293 ( -14.811 0.056 0.085) 14.811 5.295 ( -14.938 0.021 -0.094) 14.938 6.652 ( 1.063 0.096 0.041) 1.068 6.657 ( 0.951 -0.613 -0.019) 1.132 6.764 ( 0.941 0.184 1.462) 1.748 6.777 ( 1.004 0.169 -1.426) 1.753 7.376 ( 0.396 0.209 1.508) 1.573 7.389 ( 0.189 0.263 -1.563) 1.596 7.898 ( 2.190 -0.136 0.237) 2.207 7.900 ( 2.139 -0.121 -0.243) 2.156 12.405 ( 1.431 0.587 2.190) 2.681 12.430 ( 1.608 0.345 -2.308) 2.834 12.475 ( -1.046 -0.269 0.269) 1.113 12.482 ( -0.591 -0.957 -0.734) 1.343 12.769 ( -0.227 5.209 0.865) 5.285 12.840 ( -0.612 -2.755 -0.470) 2.861 12.885 ( -0.585 -0.546 0.341) 0.870 12.889 ( -0.466 -0.941 -0.404) 1.125 ======================= Grid point 175 (75/171) ======================= q-point: ( 0.50 0.60 0.10) 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 1.10e-04 1.10e-04 3.67e-09 3.67e-09 Number of triplets: 155 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.860 ( 12.471 -0.022 0.000) 12.471 0.860 ( 12.471 0.022 0.000) 12.471 0.964 ( 3.156 -0.011 0.000) 3.156 0.964 ( 3.156 0.011 -0.000) 3.156 1.454 ( 11.003 -0.138 0.000) 11.004 1.454 ( 11.003 0.138 -0.000) 11.004 1.599 ( 8.649 -0.495 0.000) 8.663 1.599 ( 8.649 0.495 0.000) 8.663 1.843 ( 9.859 -0.198 0.000) 9.861 1.843 ( 9.859 0.198 -0.000) 9.861 1.891 ( 2.058 -5.297 0.000) 5.683 1.891 ( 2.058 5.297 -0.000) 5.683 2.160 ( -8.062 -4.338 0.000) 9.155 2.160 ( -8.062 4.338 -0.000) 9.155 2.296 ( 6.102 -0.832 0.000) 6.159 2.296 ( 6.102 0.832 0.000) 6.159 2.306 ( 9.531 -0.092 0.000) 9.532 2.306 ( 9.531 0.092 0.000) 9.532 2.469 ( 2.961 -0.145 0.000) 2.964 2.469 ( 2.961 0.145 -0.000) 2.964 2.655 ( -8.794 -1.193 0.000) 8.874 2.655 ( -8.794 1.193 -0.000) 8.874 2.765 ( -10.447 -0.028 -0.000) 10.447 2.765 ( -10.447 0.028 -0.000) 10.447 4.497 ( 6.219 -0.293 0.000) 6.226 4.497 ( 6.219 0.293 0.000) 6.226 4.576 ( 4.591 -0.238 0.000) 4.598 4.576 ( 4.591 0.238 0.000) 4.598 4.804 ( -5.370 -0.015 0.000) 5.370 4.804 ( -5.370 0.015 -0.000) 5.370 5.527 ( -10.557 -0.035 -0.000) 10.557 5.527 ( -10.557 0.035 -0.000) 10.557 6.640 ( 0.369 -0.603 0.000) 0.706 6.640 ( 0.369 0.603 -0.000) 0.706 6.748 ( 1.447 -0.106 0.000) 1.451 6.748 ( 1.447 0.106 0.000) 1.451 7.372 ( 1.095 -0.144 0.000) 1.104 7.372 ( 1.095 0.144 -0.000) 1.104 7.858 ( 2.099 -0.001 0.000) 2.099 7.858 ( 2.099 0.001 0.000) 2.099 12.374 ( 3.632 -0.513 0.000) 3.668 12.374 ( 3.632 0.513 0.000) 3.668 12.489 ( -0.640 -0.033 0.000) 0.641 12.489 ( -0.640 0.033 -0.000) 0.641 12.814 ( -0.026 -4.881 0.000) 4.881 12.814 ( -0.026 4.881 -0.000) 4.881 12.894 ( -0.565 -0.023 0.000) 0.565 12.894 ( -0.565 0.023 -0.000) 0.565 ======================= Grid point 183 (76/171) ======================= q-point: ( 0.20 -0.30 0.10) 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 1.10e-04 1.10e-04 3.67e-09 3.67e-09 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.145 ( -7.531 -1.768 1.001) 7.800 1.153 ( -9.799 0.786 -0.214) 9.832 1.245 ( -5.490 -1.738 -1.162) 5.875 1.343 ( -5.371 -1.975 1.844) 6.012 1.510 ( -0.393 0.719 1.538) 1.743 1.580 ( 1.731 1.560 0.575) 2.401 1.623 ( -0.634 0.717 -2.505) 2.682 1.662 ( -1.735 0.821 -4.272) 4.683 1.757 ( 2.588 0.067 -0.231) 2.599 1.813 ( 2.274 0.806 -0.171) 2.419 1.910 ( 6.982 -0.650 0.459) 7.027 1.978 ( 5.468 2.210 1.242) 6.027 2.047 ( 6.487 0.085 1.805) 6.734 2.067 ( 6.919 0.144 0.899) 6.979 2.096 ( 9.494 1.566 2.266) 9.886 2.263 ( 6.403 -0.873 -1.698) 6.682 2.289 ( 0.326 1.970 1.015) 2.240 2.333 ( 1.111 -1.909 -1.905) 2.917 2.434 ( 1.783 -1.967 -0.167) 2.660 2.447 ( -1.145 0.192 -0.317) 1.204 2.840 ( -9.521 1.963 -0.051) 9.721 2.880 ( -7.755 1.096 0.321) 7.839 3.341 ( -24.384 0.361 -0.149) 24.387 3.360 ( -24.287 -0.538 0.039) 24.293 4.516 ( 5.140 -0.167 0.676) 5.187 4.549 ( 4.079 -0.542 -0.514) 4.147 4.655 ( -2.736 -0.617 -0.186) 2.811 4.674 ( -2.896 -0.733 0.067) 2.988 4.720 ( -2.135 0.179 1.460) 2.593 4.747 ( -2.049 0.374 -1.462) 2.545 5.013 ( 14.582 -0.024 0.151) 14.583 5.017 ( 14.266 -0.016 -0.044) 14.266 6.693 ( -0.370 0.826 0.196) 0.926 6.704 ( -0.407 0.338 0.179) 0.559 6.738 ( -0.882 0.329 -0.432) 1.035 6.785 ( -0.559 -1.175 0.049) 1.302 7.355 ( -0.609 0.150 -0.128) 0.640 7.390 ( -0.237 -0.855 0.170) 0.903 7.938 ( -1.177 0.201 0.110) 1.200 7.940 ( -1.112 0.227 -0.103) 1.140 12.394 ( -0.390 -0.242 1.040) 1.137 12.416 ( -0.883 0.301 -1.378) 1.664 12.481 ( 0.478 -1.791 3.092) 3.605 12.540 ( 0.689 -1.954 -3.618) 4.169 12.634 ( -0.657 4.181 0.940) 4.335 12.857 ( -0.112 -1.717 0.912) 1.947 12.891 ( 1.282 0.818 -0.065) 1.522 12.903 ( 0.749 0.195 -0.495) 0.919 ======================= Grid point 184 (77/171) ======================= q-point: ( 0.30 0.70 0.10) 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 1.10e-04 1.10e-04 3.67e-09 3.67e-09 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.238 ( -1.607 0.162 0.217) 1.630 1.267 ( 0.335 -0.481 -1.344) 1.466 1.328 ( -3.733 1.867 1.172) 4.335 1.418 ( -2.040 -1.435 4.492) 5.138 1.476 ( 0.534 0.639 -4.524) 4.600 1.596 ( 3.808 -3.434 -0.853) 5.198 1.617 ( -1.190 0.176 0.961) 1.540 1.677 ( -3.850 -0.109 -0.920) 3.960 1.760 ( -1.583 1.534 1.148) 2.486 1.795 ( 0.660 3.193 0.099) 3.262 1.833 ( 2.348 0.343 0.820) 2.511 1.845 ( 0.306 -0.460 -1.708) 1.795 1.929 ( 5.345 -0.150 2.952) 6.108 1.975 ( 5.024 -0.586 -2.455) 5.623 2.061 ( -1.161 1.559 0.405) 1.986 2.210 ( -2.189 -2.496 0.665) 3.386 2.268 ( 0.901 -1.767 0.568) 2.063 2.351 ( -0.674 1.184 -1.568) 2.077 2.408 ( -0.726 0.469 0.316) 0.920 2.479 ( -1.500 0.677 -0.037) 1.647 2.931 ( 0.859 0.209 0.120) 0.892 2.945 ( 1.553 -0.128 0.083) 1.560 3.597 ( -0.319 0.207 0.163) 0.414 3.606 ( 0.006 -0.172 -0.168) 0.241 4.470 ( -0.087 0.817 0.293) 0.873 4.506 ( -0.573 -0.400 -0.362) 0.787 4.683 ( -0.429 -0.141 -0.042) 0.454 4.699 ( -0.285 -0.370 0.034) 0.468 4.742 ( 0.383 0.714 0.433) 0.919 4.767 ( -0.570 -0.432 -0.330) 0.788 4.854 ( 0.186 0.139 0.031) 0.235 4.862 ( 0.096 -0.136 -0.005) 0.167 6.694 ( 0.712 -0.215 0.484) 0.887 6.698 ( 0.648 -0.088 -0.501) 0.824 6.762 ( -0.892 0.673 0.544) 1.243 6.785 ( -0.203 -0.350 -0.533) 0.669 7.367 ( -0.479 0.395 0.144) 0.638 7.389 ( -0.114 -0.387 -0.127) 0.423 7.948 ( 0.222 0.056 0.028) 0.231 7.950 ( 0.147 -0.034 -0.015) 0.151 12.403 ( -0.479 0.057 0.817) 0.949 12.432 ( -0.399 1.599 -0.968) 1.911 12.473 ( 0.007 -2.271 2.715) 3.540 12.501 ( 0.634 -1.461 -3.016) 3.411 12.683 ( -0.726 4.440 0.695) 4.553 12.850 ( -0.125 -1.486 0.179) 1.502 12.879 ( 0.173 0.118 0.128) 0.246 12.892 ( 0.388 -0.159 -0.221) 0.474 ======================= Grid point 185 (78/171) ======================= q-point: ( 0.40 0.70 0.10) 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 1.10e-04 1.10e-04 3.67e-09 3.67e-09 Number of triplets: 275 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.167 ( 8.523 0.339 0.000) 8.530 1.169 ( 7.955 0.402 0.000) 7.966 1.311 ( 8.301 2.005 0.000) 8.539 1.336 ( 10.468 0.612 0.000) 10.486 1.486 ( -1.253 1.442 -0.000) 1.911 1.552 ( -1.401 -3.044 0.000) 3.351 1.715 ( -3.717 0.297 -0.000) 3.728 1.728 ( -10.849 -1.261 -0.000) 10.922 1.780 ( 3.521 1.539 -0.000) 3.842 1.796 ( -0.014 0.620 -0.000) 0.620 1.872 ( -0.936 -1.858 0.000) 2.080 1.878 ( -1.199 -1.867 0.000) 2.219 1.971 ( -10.767 1.090 -0.000) 10.823 1.989 ( -9.938 -0.219 -0.000) 9.941 2.118 ( -3.313 2.308 -0.000) 4.038 2.211 ( 0.057 -3.770 0.000) 3.770 2.309 ( -5.899 -0.286 -0.000) 5.906 2.346 ( -1.154 -2.159 0.000) 2.448 2.469 ( -3.257 3.658 -0.000) 4.898 2.512 ( -1.836 0.731 -0.000) 1.977 2.821 ( 10.261 -0.798 0.000) 10.292 2.826 ( 10.308 -1.060 0.000) 10.363 3.354 ( 24.465 0.097 0.000) 24.465 3.355 ( 24.000 0.105 0.000) 24.000 4.532 ( -5.056 1.345 -0.000) 5.232 4.558 ( -4.923 -0.182 -0.000) 4.926 4.665 ( 2.412 0.124 0.000) 2.415 4.677 ( 2.473 -0.331 0.000) 2.495 4.724 ( 2.179 1.035 -0.000) 2.413 4.752 ( 1.590 -0.902 0.000) 1.828 5.013 ( -14.684 0.149 -0.000) 14.684 5.016 ( -14.451 -0.079 -0.000) 14.452 6.674 ( 1.209 -0.258 0.000) 1.236 6.680 ( 0.991 -0.574 0.000) 1.145 6.778 ( -0.032 0.468 -0.000) 0.469 6.780 ( 0.428 0.186 -0.000) 0.466 7.378 ( -0.292 0.501 -0.000) 0.580 7.387 ( 0.151 -0.021 0.000) 0.153 7.932 ( 1.414 -0.072 0.000) 1.416 7.934 ( 1.449 -0.202 0.000) 1.463 12.417 ( -0.181 0.696 -0.000) 0.719 12.439 ( 0.721 1.326 -0.000) 1.509 12.473 ( -1.172 -2.668 0.000) 2.914 12.474 ( 0.439 -0.284 0.000) 0.523 12.729 ( -0.391 4.826 -0.000) 4.841 12.843 ( -0.292 -1.292 0.000) 1.324 12.884 ( -0.788 -1.119 0.000) 1.369 12.885 ( 0.001 -0.402 0.000) 0.402 ======================= Grid point 194 (79/171) ======================= q-point: ( 0.20 -0.20 0.10) 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 1.10e-04 1.10e-04 3.67e-09 3.67e-09 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.915 ( -11.796 6.711 -1.123) 13.618 1.015 ( -8.478 0.690 -0.197) 8.508 1.171 ( -4.409 -2.011 0.308) 4.855 1.301 ( -1.278 -1.924 1.676) 2.854 1.449 ( -3.787 1.924 -0.096) 4.249 1.570 ( -3.442 -0.736 -1.706) 3.911 1.617 ( 0.198 1.478 0.186) 1.502 1.654 ( 3.337 1.299 -0.391) 3.602 1.820 ( 2.345 -1.890 0.067) 3.012 1.861 ( 2.209 -2.494 0.275) 3.343 1.968 ( -1.997 0.669 0.146) 2.111 2.019 ( 2.358 -0.488 -0.462) 2.452 2.149 ( 4.014 4.335 1.553) 6.109 2.207 ( 3.279 0.589 0.659) 3.396 2.216 ( 4.119 2.553 -1.046) 4.958 2.339 ( 1.375 -0.071 1.162) 1.801 2.398 ( 12.790 2.535 -0.606) 13.053 2.430 ( 6.274 -3.943 -0.397) 7.421 2.483 ( 7.549 -0.364 -0.219) 7.561 2.525 ( 7.138 -1.833 -0.058) 7.370 2.589 ( -14.530 3.093 -0.327) 14.860 2.686 ( -10.643 2.037 0.098) 10.837 2.825 ( -28.777 0.770 -0.055) 28.787 2.852 ( -29.456 -1.577 -0.016) 29.498 4.562 ( -4.795 -0.758 -0.011) 4.855 4.589 ( -3.848 -0.811 0.052) 3.933 4.642 ( 1.733 -0.464 0.485) 1.859 4.661 ( -0.291 -0.418 0.407) 0.652 4.672 ( 0.687 -0.011 -0.160) 0.706 4.702 ( 0.737 -0.358 -0.765) 1.121 5.292 ( 14.720 -0.017 0.021) 14.720 5.294 ( 14.982 -0.158 0.023) 14.983 6.673 ( -1.414 0.888 0.569) 1.764 6.678 ( -1.181 0.992 -0.487) 1.618 6.728 ( -0.302 -0.016 -0.200) 0.363 6.780 ( -1.113 -1.288 0.099) 1.705 7.342 ( -0.601 0.022 -0.132) 0.616 7.395 ( -0.240 -1.377 0.182) 1.410 7.904 ( -2.218 0.454 -0.018) 2.264 7.909 ( -2.061 0.188 0.005) 2.069 12.374 ( -1.753 0.382 -0.013) 1.794 12.415 ( 0.185 -1.755 -0.027) 1.765 12.509 ( -0.461 -0.313 2.077) 2.151 12.556 ( 0.886 -3.448 -1.978) 4.072 12.602 ( 0.463 3.701 -0.027) 3.730 12.875 ( 0.495 -1.423 0.582) 1.615 12.904 ( 0.257 0.456 0.263) 0.586 12.917 ( 1.604 0.795 -0.630) 1.898 ======================= Grid point 195 (80/171) ======================= q-point: ( 0.30 -0.20 0.10) 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 1.10e-04 1.10e-04 3.67e-09 3.67e-09 Number of triplets: 275 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.150 ( -7.406 -2.383 0.000) 7.780 1.152 ( -10.311 1.752 -0.000) 10.459 1.240 ( -5.446 -1.976 0.000) 5.794 1.351 ( -5.402 -2.165 0.000) 5.820 1.517 ( 0.742 0.858 -0.000) 1.135 1.593 ( 1.134 2.793 -0.000) 3.015 1.603 ( -0.926 0.118 -0.000) 0.933 1.642 ( -1.181 0.372 -0.000) 1.238 1.757 ( 2.101 -0.089 0.000) 2.103 1.812 ( 2.452 0.818 -0.000) 2.585 1.912 ( 6.814 -0.710 0.000) 6.851 1.984 ( 5.456 2.194 -0.000) 5.881 2.056 ( 4.890 -0.428 0.000) 4.909 2.069 ( 8.225 0.296 0.000) 8.231 2.108 ( 10.380 2.413 0.000) 10.657 2.254 ( 5.876 -0.952 0.000) 5.952 2.297 ( -0.418 4.981 -0.000) 4.999 2.322 ( 1.916 -4.916 0.000) 5.276 2.433 ( 1.664 -2.761 0.000) 3.223 2.446 ( -1.246 0.712 -0.000) 1.435 2.840 ( -9.532 2.059 -0.000) 9.752 2.881 ( -7.713 1.147 -0.000) 7.798 3.341 ( -24.416 0.378 -0.000) 24.419 3.360 ( -24.285 -0.583 -0.000) 24.292 4.520 ( 5.222 0.018 0.000) 5.222 4.546 ( 4.072 -0.767 0.000) 4.144 4.654 ( -2.770 -0.586 -0.000) 2.832 4.675 ( -2.914 -0.761 -0.000) 3.012 4.730 ( -1.378 0.565 -0.000) 1.490 4.737 ( -2.820 0.046 -0.000) 2.820 5.013 ( 14.580 0.006 0.000) 14.580 5.017 ( 14.272 -0.034 0.000) 14.272 6.694 ( -0.355 0.890 -0.000) 0.958 6.705 ( -0.316 0.310 -0.000) 0.443 6.737 ( -1.045 0.403 -0.000) 1.120 6.785 ( -0.504 -1.285 0.000) 1.380 7.354 ( -0.645 0.193 -0.000) 0.674 7.391 ( -0.191 -0.890 0.000) 0.911 7.939 ( -1.261 0.253 -0.000) 1.286 7.940 ( -1.034 0.181 -0.000) 1.050 12.403 ( -0.106 -0.950 0.000) 0.956 12.405 ( -1.070 1.229 -0.000) 1.629 12.508 ( 0.380 -3.641 0.000) 3.661 12.511 ( 0.754 -0.243 0.000) 0.792 12.638 ( -0.757 4.173 -0.000) 4.241 12.861 ( -0.079 -1.762 0.000) 1.764 12.891 ( 1.540 0.914 -0.000) 1.791 12.901 ( 0.507 0.217 -0.000) 0.552 ======================= Grid point 204 (81/171) ======================= q-point: ( 0.20 -0.10 0.10) 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 1.10e-04 1.10e-04 3.67e-09 3.67e-09 Number of triplets: 275 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.641 ( -10.880 9.993 -0.000) 14.773 0.819 ( -10.211 6.920 -0.000) 12.335 1.086 ( -5.303 2.801 -0.000) 5.997 1.340 ( 3.178 -2.653 0.000) 4.140 1.357 ( -5.167 3.031 -0.000) 5.990 1.462 ( -10.219 0.876 -0.000) 10.257 1.631 ( 2.240 0.578 0.000) 2.314 1.680 ( -0.842 0.687 -0.000) 1.087 1.731 ( -19.634 5.411 -0.000) 20.366 1.798 ( -10.730 -1.968 -0.000) 10.909 1.938 ( 2.117 -2.372 0.000) 3.180 2.053 ( -8.938 2.955 -0.000) 9.414 2.101 ( -0.421 -6.017 0.000) 6.032 2.130 ( -5.022 0.169 -0.000) 5.025 2.294 ( -8.894 3.791 -0.000) 9.668 2.311 ( 6.338 -0.556 0.000) 6.363 2.354 ( -2.544 -1.450 0.000) 2.928 2.399 ( -14.571 -0.090 -0.000) 14.571 2.401 ( -8.315 1.684 -0.000) 8.484 2.461 ( -4.051 2.446 -0.000) 4.732 2.660 ( 11.316 1.326 0.000) 11.393 2.663 ( 9.182 0.121 0.000) 9.182 2.699 ( 10.805 -1.103 0.000) 10.861 2.738 ( 12.710 -1.349 0.000) 12.781 4.461 ( -6.510 -1.233 -0.000) 6.625 4.484 ( -7.104 -1.196 -0.000) 7.204 4.554 ( -6.030 0.870 -0.000) 6.092 4.618 ( -3.416 -0.097 -0.000) 3.417 4.769 ( 5.607 -0.592 0.000) 5.638 4.801 ( 5.536 -1.442 0.000) 5.721 5.523 ( 10.557 0.144 0.000) 10.558 5.532 ( 10.859 -0.236 0.000) 10.861 6.636 ( -1.786 0.396 -0.000) 1.830 6.659 ( -0.339 0.687 -0.000) 0.766 6.719 ( -0.480 0.334 -0.000) 0.585 6.762 ( -1.663 -0.666 0.000) 1.792 7.333 ( -0.399 0.087 -0.000) 0.408 7.400 ( -0.718 -1.838 0.000) 1.974 7.858 ( -2.295 0.325 -0.000) 2.318 7.867 ( -2.422 0.006 -0.000) 2.422 12.335 ( -2.816 -0.967 0.000) 2.978 12.433 ( 0.002 -1.801 0.000) 1.801 12.482 ( -1.905 0.754 -0.000) 2.049 12.593 ( 1.267 3.219 -0.000) 3.459 12.615 ( 2.257 -4.391 0.000) 4.937 12.899 ( 0.765 -1.194 0.000) 1.418 12.899 ( -0.336 0.287 -0.000) 0.442 12.934 ( 0.628 0.649 -0.000) 0.904 ======================= Grid point 214 (82/171) ======================= q-point: ( 0.20 0.00 0.20) 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 1.10e-04 1.10e-04 3.67e-09 3.67e-09 Number of triplets: 171 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.371 ( -0.000 14.062 -0.000) 14.062 0.547 ( -0.000 17.146 -0.000) 17.146 0.784 ( -0.000 24.353 -0.000) 24.353 0.837 ( -0.000 10.619 -0.000) 10.619 1.063 ( -0.000 12.228 -0.000) 12.228 1.370 ( -0.000 1.463 -0.000) 1.463 1.378 ( 0.000 -1.588 0.000) 1.588 1.450 ( 0.000 -8.400 0.000) 8.400 1.689 ( -0.000 0.770 -0.000) 0.770 1.755 ( -0.000 0.705 -0.000) 0.705 1.862 ( 0.000 -4.223 0.000) 4.223 1.971 ( 0.000 -3.279 0.000) 3.279 2.015 ( 0.000 -3.565 0.000) 3.565 2.048 ( -0.000 0.907 -0.000) 0.907 2.149 ( -0.000 1.163 -0.000) 1.163 2.171 ( -0.000 4.167 -0.000) 4.167 2.224 ( 0.000 -5.797 0.000) 5.797 2.273 ( 0.000 -1.233 0.000) 1.233 2.511 ( -0.000 1.243 -0.000) 1.243 2.746 ( 0.000 -3.703 0.000) 3.703 2.860 ( -0.000 0.455 -0.000) 0.455 2.888 ( 0.000 -0.022 0.000) 0.022 2.979 ( -0.000 0.416 -0.000) 0.416 3.053 ( 0.000 -0.981 0.000) 0.981 4.301 ( 0.000 -2.181 0.000) 2.181 4.301 ( 0.000 -2.181 0.000) 2.181 4.404 ( -0.000 1.245 -0.000) 1.245 4.537 ( 0.000 -0.490 0.000) 0.490 4.880 ( 0.000 -0.456 0.000) 0.456 4.912 ( 0.000 -1.823 0.000) 1.823 5.717 ( -0.000 0.512 -0.000) 0.512 5.732 ( 0.000 -0.218 0.000) 0.218 6.598 ( 0.000 -0.216 0.000) 0.216 6.643 ( 0.000 -1.095 0.000) 1.095 6.708 ( -0.000 0.811 -0.000) 0.811 6.745 ( -0.000 0.146 -0.000) 0.146 7.327 ( -0.000 0.550 -0.000) 0.550 7.332 ( -0.000 0.788 -0.000) 0.788 7.808 ( 0.000 -0.398 0.000) 0.398 7.809 ( 0.000 -0.438 0.000) 0.438 12.194 ( -0.000 1.849 -0.000) 1.849 12.411 ( -0.000 1.497 -0.000) 1.497 12.455 ( 0.000 -1.417 0.000) 1.417 12.622 ( -0.000 3.278 -0.000) 3.278 12.772 ( 0.000 -3.581 0.000) 3.581 12.804 ( 0.000 -0.220 0.000) 0.220 12.887 ( 0.000 -0.109 0.000) 0.109 12.931 ( 0.000 -0.549 0.000) 0.549 ======================= Grid point 215 (83/171) ======================= q-point: ( 0.30 0.00 0.20) 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 1.10e-04 1.10e-04 3.67e-09 3.67e-09 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.570 ( -7.229 12.574 2.162) 14.664 0.765 ( -6.069 14.885 1.439) 16.139 1.040 ( -6.268 9.041 -0.850) 11.034 1.190 ( -21.100 12.981 -0.419) 24.777 1.256 ( -11.696 9.356 -0.816) 14.999 1.363 ( 1.751 -6.525 0.427) 6.769 1.439 ( -11.738 -2.488 0.227) 12.001 1.468 ( -9.692 2.238 1.345) 10.037 1.688 ( 2.843 0.424 -1.650) 3.314 1.704 ( 0.391 0.378 0.931) 1.078 1.925 ( -0.891 -2.902 -6.490) 7.165 1.944 ( -8.443 -5.424 -0.173) 10.037 1.974 ( 1.206 -4.274 4.500) 6.322 2.123 ( 1.737 -3.328 0.489) 3.786 2.154 ( -8.224 -0.714 0.181) 8.256 2.220 ( -2.917 3.668 -0.729) 4.743 2.249 ( -5.073 1.983 0.592) 5.479 2.301 ( -3.424 -2.194 0.997) 4.187 2.495 ( 2.188 0.833 0.195) 2.349 2.560 ( 12.588 0.758 -0.289) 12.614 2.805 ( 6.195 0.170 -0.525) 6.219 2.845 ( 6.404 -0.321 0.205) 6.416 2.895 ( 8.950 0.139 0.378) 8.959 2.944 ( 9.923 -0.838 -0.217) 9.961 4.337 ( -5.306 -1.954 -0.019) 5.654 4.347 ( -6.113 -1.998 0.102) 6.432 4.461 ( -4.610 1.286 0.190) 4.790 4.558 ( -2.627 -0.513 -0.230) 2.686 4.846 ( 3.228 -0.552 -0.027) 3.275 4.869 ( 3.114 -1.699 -0.079) 3.548 5.671 ( 5.489 0.329 0.033) 5.499 5.680 ( 5.569 -0.225 0.046) 5.574 6.608 ( -1.251 -0.021 0.087) 1.254 6.647 ( -1.038 -0.822 0.020) 1.325 6.717 ( -0.210 0.746 -0.051) 0.777 6.743 ( -0.149 0.317 -0.017) 0.351 7.331 ( 0.006 0.412 -0.046) 0.415 7.363 ( -1.853 -0.890 -0.010) 2.056 7.821 ( -1.711 -0.135 0.012) 1.717 7.825 ( -1.896 -0.287 0.006) 1.918 12.257 ( -4.141 0.027 0.066) 4.142 12.416 ( -0.216 -1.397 -0.889) 1.670 12.461 ( -1.036 1.144 0.232) 1.560 12.634 ( 1.597 2.485 -2.073) 3.609 12.662 ( 4.188 -1.213 2.144) 4.859 12.875 ( -2.804 -2.370 -0.545) 3.712 12.893 ( -0.690 0.005 0.339) 0.769 12.927 ( -0.373 -0.415 -0.088) 0.565 ======================= Grid point 216 (84/171) ======================= q-point: ( 0.40 0.00 0.20) 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 1.10e-04 1.10e-04 3.67e-09 3.67e-09 Number of triplets: 504 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.804 ( -8.241 9.819 2.257) 13.016 0.945 ( -3.248 8.533 2.080) 9.364 1.127 ( -0.470 3.495 -1.794) 3.956 1.271 ( 0.660 -3.883 -2.550) 4.692 1.401 ( -3.355 2.013 0.224) 3.919 1.492 ( -6.089 0.814 4.064) 7.365 1.642 ( 1.295 1.464 -1.335) 2.367 1.682 ( -0.519 0.061 -1.393) 1.487 1.775 ( -9.107 0.272 -1.055) 9.172 1.807 ( -11.039 1.927 1.638) 11.325 1.909 ( -1.451 0.135 -1.706) 2.244 2.009 ( -9.822 -5.414 0.795) 11.244 2.100 ( -7.132 -0.993 0.550) 7.222 2.105 ( -10.772 -0.687 0.522) 10.806 2.266 ( -3.398 -2.167 -1.206) 4.207 2.331 ( -3.054 -1.237 0.344) 3.313 2.356 ( -6.662 3.458 1.000) 7.572 2.417 ( -7.045 2.689 -2.015) 7.806 2.447 ( -7.143 2.503 0.331) 7.576 2.497 ( -4.298 1.768 1.002) 4.754 2.643 ( 10.136 -1.030 -1.301) 10.271 2.661 ( 12.190 -0.810 -0.891) 12.249 2.703 ( 11.870 -0.757 0.725) 11.916 2.724 ( 11.801 -0.257 1.562) 11.907 4.442 ( -7.033 -1.179 -0.074) 7.131 4.464 ( -7.481 -1.465 0.122) 7.624 4.566 ( -5.519 0.799 -0.515) 5.601 4.617 ( -3.839 0.020 0.286) 3.849 4.760 ( 5.561 -0.748 -0.004) 5.611 4.779 ( 5.323 -1.369 0.136) 5.498 5.525 ( 10.733 0.034 -0.071) 10.734 5.529 ( 10.851 -0.191 0.034) 10.852 6.641 ( -2.065 0.373 -0.282) 2.118 6.666 ( -1.281 0.165 0.312) 1.328 6.725 ( -0.222 0.365 -0.114) 0.442 6.754 ( -0.793 -0.468 0.111) 0.927 7.335 ( -0.278 0.157 0.072) 0.328 7.375 ( -0.675 -1.376 -0.213) 1.548 7.863 ( -2.564 0.266 0.050) 2.578 7.867 ( -2.626 0.030 0.021) 2.626 12.324 ( -3.323 -0.350 0.032) 3.342 12.400 ( -0.056 -2.080 -0.500) 2.140 12.487 ( -0.706 0.372 -1.816) 1.984 12.575 ( 2.225 -1.039 1.504) 2.880 12.650 ( 1.388 3.560 0.571) 3.864 12.868 ( 0.330 -2.282 -0.971) 2.502 12.906 ( -0.345 0.261 0.221) 0.486 12.936 ( -0.224 -0.330 0.306) 0.503 ======================= Grid point 217 (85/171) ======================= q-point: ( 0.50 0.00 0.20) 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 1.10e-04 1.10e-04 3.67e-09 3.67e-09 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.012 ( -6.527 3.021 0.053) 7.193 1.042 ( -3.797 3.626 1.359) 5.423 1.150 ( -2.915 -0.603 0.625) 3.041 1.246 ( -2.232 -2.584 -2.302) 4.118 1.471 ( -2.815 1.538 -0.940) 3.342 1.587 ( -2.765 -0.021 3.251) 4.268 1.634 ( 0.393 0.918 -0.658) 1.196 1.666 ( 0.111 -0.378 0.361) 0.534 1.814 ( 2.037 -0.855 1.741) 2.813 1.824 ( 0.426 -0.530 -0.558) 0.879 1.960 ( -1.439 -0.808 -1.199) 2.040 2.020 ( 1.102 -0.508 1.518) 1.944 2.167 ( 6.507 1.245 -3.115) 7.321 2.224 ( 2.379 3.104 -2.051) 4.416 2.271 ( 1.534 2.606 1.232) 3.265 2.321 ( 3.467 -0.568 -1.692) 3.899 2.365 ( 11.172 -3.661 0.457) 11.766 2.439 ( 8.136 1.066 1.340) 8.314 2.468 ( 7.134 -2.419 -1.063) 7.608 2.517 ( 7.709 0.285 2.575) 8.132 2.635 ( -14.678 2.714 -0.343) 14.931 2.702 ( -11.017 0.520 -0.884) 11.065 2.833 ( -29.602 0.313 0.120) 29.604 2.845 ( -27.821 0.263 0.746) 27.833 4.553 ( -5.335 -0.326 -0.150) 5.347 4.577 ( -4.922 -0.702 0.035) 4.972 4.627 ( 4.918 -0.511 -0.976) 5.040 4.652 ( -3.014 -0.041 -1.019) 3.182 4.667 ( 4.390 -0.720 0.319) 4.460 4.710 ( -2.729 -0.102 1.688) 3.210 5.291 ( 14.686 -0.064 -0.092) 14.686 5.291 ( 14.959 -0.120 -0.080) 14.959 6.679 ( -1.815 0.605 -0.721) 2.044 6.694 ( -0.927 0.742 0.238) 1.211 6.731 ( -0.471 0.135 0.472) 0.681 6.761 ( -0.723 -1.084 0.019) 1.303 7.345 ( -0.618 0.144 0.207) 0.668 7.374 ( -0.531 -1.155 -0.334) 1.315 7.909 ( -2.134 0.272 -0.033) 2.152 7.913 ( -2.151 0.212 0.074) 2.163 12.369 ( -1.731 -0.773 -0.617) 1.994 12.393 ( -1.072 -1.219 0.213) 1.637 12.471 ( 0.489 -0.675 -2.707) 2.832 12.561 ( 0.963 -0.501 3.756) 3.910 12.661 ( 0.507 4.415 -0.642) 4.490 12.838 ( 0.287 -2.629 -1.182) 2.897 12.908 ( 0.363 0.349 -0.271) 0.572 12.928 ( 1.012 0.005 0.717) 1.240 ======================= Grid point 218 (86/171) ======================= q-point: ( 0.60 0.00 0.20) 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 1.10e-04 1.10e-04 3.67e-09 3.67e-09 Number of triplets: 504 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.102 ( -7.363 -1.735 -1.670) 7.746 1.157 ( -5.767 -0.299 -0.516) 5.798 1.256 ( -6.134 0.920 1.433) 6.366 1.300 ( -5.781 -1.644 -1.116) 6.113 1.504 ( -0.975 0.782 -2.681) 2.958 1.602 ( 1.570 0.946 1.845) 2.601 1.636 ( 0.092 -1.049 1.854) 2.132 1.708 ( -2.336 0.273 2.834) 3.683 1.777 ( 2.905 0.643 3.713) 4.758 1.811 ( -0.417 -0.985 0.181) 1.085 1.933 ( 7.103 4.044 -0.730) 8.206 1.988 ( 3.460 0.898 -1.692) 3.955 2.036 ( 6.421 0.204 -1.399) 6.575 2.055 ( 10.455 0.351 -2.857) 10.844 2.079 ( 9.821 0.044 -3.942) 10.583 2.199 ( 4.314 -5.433 -2.322) 7.315 2.314 ( 3.017 1.836 2.575) 4.371 2.372 ( -0.920 0.396 1.656) 1.935 2.411 ( 2.803 -0.598 1.032) 3.046 2.459 ( -1.157 0.447 1.082) 1.646 2.864 ( -8.344 1.326 -0.366) 8.457 2.884 ( -7.457 0.125 -0.780) 7.498 3.347 ( -24.036 0.133 0.089) 24.036 3.355 ( -24.428 -0.106 0.220) 24.429 4.506 ( 4.792 -0.134 -1.130) 4.925 4.555 ( 4.151 0.242 1.097) 4.300 4.647 ( -3.226 -0.619 -0.034) 3.285 4.662 ( -3.326 -0.748 0.097) 3.411 4.708 ( -2.391 0.027 -1.566) 2.858 4.765 ( -1.654 0.284 1.376) 2.170 5.010 ( 14.540 -0.049 -0.287) 14.543 5.017 ( 14.202 -0.013 0.056) 14.202 6.697 ( 0.340 0.162 -0.450) 0.587 6.707 ( -0.615 0.352 -0.277) 0.761 6.744 ( -0.265 -0.034 0.083) 0.279 6.775 ( -1.512 -0.272 0.660) 1.672 7.358 ( -0.500 0.151 -0.090) 0.530 7.378 ( -0.799 -0.605 -0.013) 1.003 7.939 ( -1.031 0.091 -0.147) 1.046 7.944 ( -1.024 0.153 0.112) 1.041 12.378 ( -0.863 -0.488 -1.036) 1.434 12.406 ( -0.829 -1.523 -1.437) 2.252 12.464 ( -0.486 0.831 0.522) 1.095 12.548 ( 1.387 -0.971 3.161) 3.586 12.688 ( -0.216 4.457 -1.659) 4.761 12.813 ( -0.492 -2.885 -1.238) 3.178 12.899 ( 0.706 0.256 -0.090) 0.756 12.909 ( 1.312 0.013 0.413) 1.376 ======================= Grid point 219 (87/171) ======================= q-point: (-0.30 0.00 0.20) 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 1.10e-04 1.10e-04 3.67e-09 3.67e-09 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.234 ( -4.886 -0.255 0.275) 4.900 1.266 ( -7.027 -0.365 -3.272) 7.760 1.326 ( -0.858 0.830 -1.936) 2.275 1.353 ( 1.379 -0.540 2.489) 2.896 1.551 ( -2.548 0.890 0.483) 2.742 1.578 ( 0.384 -1.476 0.945) 1.794 1.600 ( 4.307 -0.545 1.875) 4.729 1.700 ( 2.835 0.144 -1.135) 3.057 1.730 ( 3.635 0.146 -1.047) 3.786 1.815 ( 2.323 0.269 -1.285) 2.669 1.836 ( 6.363 1.594 -2.130) 6.897 1.878 ( -1.580 0.399 0.742) 1.791 1.893 ( -2.051 -0.258 3.235) 3.839 2.010 ( 1.253 0.839 0.745) 1.682 2.052 ( -2.922 0.880 -2.737) 4.100 2.110 ( -0.232 -4.381 -2.853) 5.233 2.297 ( 1.181 2.662 1.218) 3.156 2.355 ( 0.994 -2.922 1.854) 3.601 2.435 ( -2.558 1.672 -0.534) 3.102 2.491 ( -1.184 0.351 0.895) 1.525 2.926 ( 2.511 -0.018 -0.641) 2.592 2.936 ( 1.400 -0.237 -0.426) 1.482 3.592 ( 0.237 -0.037 -0.349) 0.424 3.612 ( -0.582 0.065 0.370) 0.693 4.464 ( -1.147 0.128 -0.826) 1.419 4.523 ( -0.355 0.257 1.224) 1.300 4.680 ( -0.585 -0.166 -0.198) 0.639 4.694 ( -0.510 -0.207 0.157) 0.572 4.728 ( -0.506 -0.020 -1.196) 1.299 4.779 ( 0.708 0.096 0.742) 1.030 4.852 ( -0.114 0.001 -0.265) 0.288 4.861 ( 0.216 -0.048 0.089) 0.239 6.683 ( 0.839 -0.171 -0.402) 0.946 6.705 ( 0.955 -0.059 0.386) 1.031 6.748 ( -0.411 0.003 -1.010) 1.091 6.804 ( -0.949 0.246 1.056) 1.441 7.362 ( -0.121 0.018 -0.570) 0.583 7.392 ( -0.871 -0.039 0.479) 0.995 7.947 ( 0.159 -0.006 -0.105) 0.190 7.950 ( 0.432 -0.001 0.033) 0.434 12.384 ( -0.067 0.134 -1.581) 1.588 12.402 ( -1.393 -1.075 -1.486) 2.302 12.490 ( -0.556 1.165 2.051) 2.423 12.528 ( 1.194 -1.158 2.531) 3.028 12.714 ( -0.354 3.271 -2.757) 4.292 12.804 ( -1.193 -2.326 -0.855) 2.750 12.886 ( 0.878 0.242 0.261) 0.947 12.892 ( 0.326 -0.226 0.114) 0.412 ======================= Grid point 220 (88/171) ======================= q-point: (-0.20 0.00 0.20) 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 1.10e-04 1.10e-04 3.67e-09 3.67e-09 Number of triplets: 282 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.090 ( 14.755 -0.000 -2.564) 14.976 1.246 ( 9.402 0.000 1.226) 9.482 1.329 ( 2.618 0.000 2.581) 3.676 1.373 ( 3.941 0.000 2.178) 4.503 1.500 ( 4.165 -0.000 -2.681) 4.953 1.513 ( -1.035 0.000 0.065) 1.037 1.579 ( -1.294 -0.000 -4.456) 4.640 1.690 ( 0.091 -0.000 -4.330) 4.331 1.782 ( -9.745 0.000 0.017) 9.745 1.798 ( -3.686 0.000 0.500) 3.720 1.871 ( -5.402 0.000 1.032) 5.500 1.956 ( -0.047 0.000 3.722) 3.722 1.999 ( -0.002 0.000 2.250) 2.250 2.036 ( -12.569 0.000 1.437) 12.651 2.102 ( -3.139 -0.000 -2.105) 3.779 2.138 ( -6.061 -0.000 -2.090) 6.411 2.332 ( -4.016 -0.000 -0.542) 4.052 2.335 ( 0.694 0.000 1.645) 1.785 2.495 ( -3.575 -0.000 -0.103) 3.576 2.515 ( -1.369 -0.000 -0.079) 1.372 2.782 ( 11.953 -0.000 -1.192) 12.013 2.827 ( 9.870 -0.000 -0.032) 9.870 3.333 ( 24.808 -0.000 -0.542) 24.814 3.379 ( 23.273 0.000 0.654) 23.283 4.534 ( -5.975 -0.000 -0.201) 5.978 4.582 ( -5.024 0.000 1.104) 5.144 4.660 ( 2.593 -0.000 -0.303) 2.611 4.677 ( 2.332 0.000 0.147) 2.337 4.716 ( 1.182 -0.000 -0.839) 1.449 4.743 ( 3.279 -0.000 -0.107) 3.281 5.014 ( -14.809 0.000 -0.021) 14.809 5.016 ( -14.419 0.000 0.027) 14.419 6.665 ( 0.917 -0.000 -0.240) 0.948 6.683 ( 1.471 0.000 0.244) 1.491 6.746 ( 0.184 -0.000 -0.958) 0.975 6.817 ( 0.191 0.000 0.946) 0.965 7.358 ( 0.275 -0.000 -0.717) 0.768 7.410 ( -0.714 0.000 0.672) 0.980 7.930 ( 1.705 -0.000 -0.065) 1.706 7.934 ( 1.219 0.000 0.028) 1.220 12.373 ( 0.305 -0.000 -1.575) 1.605 12.426 ( -1.874 -0.000 -0.829) 2.049 12.510 ( 0.147 0.000 1.784) 1.790 12.512 ( 0.802 0.000 2.300) 2.436 12.726 ( -0.995 -0.000 -2.748) 2.923 12.814 ( -1.266 -0.000 -0.590) 1.397 12.881 ( -0.056 0.000 0.428) 0.431 12.891 ( -0.086 0.000 0.223) 0.239 ======================= Grid point 225 (89/171) ======================= q-point: ( 0.30 0.10 0.20) 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 1.10e-04 1.10e-04 3.67e-09 3.67e-09 Number of triplets: 275 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.402 ( 0.000 12.680 7.007) 14.487 0.555 ( -0.000 16.899 1.844) 17.000 0.783 ( -0.000 20.224 -0.452) 20.229 0.855 ( -0.000 14.215 4.229) 14.831 1.045 ( -0.000 11.878 -4.159) 12.585 1.380 ( 0.000 -1.449 0.634) 1.582 1.381 ( 0.000 1.225 2.277) 2.586 1.443 ( 0.000 -7.094 -1.596) 7.272 1.683 ( -0.000 0.610 -1.357) 1.488 1.752 ( -0.000 0.676 -0.704) 0.976 1.859 ( 0.000 -4.045 -0.686) 4.103 1.917 ( -0.000 -2.529 -7.367) 7.789 2.049 ( -0.000 0.971 0.084) 0.975 2.068 ( 0.000 -5.613 7.138) 9.081 2.145 ( -0.000 1.369 -0.932) 1.656 2.153 ( -0.000 1.531 -2.927) 3.303 2.245 ( 0.000 -3.461 3.738) 5.095 2.277 ( 0.000 -0.719 1.083) 1.300 2.516 ( 0.000 1.146 1.112) 1.597 2.734 ( -0.000 -2.971 -2.787) 4.073 2.864 ( 0.000 0.139 0.746) 0.759 2.888 ( -0.000 -0.055 -0.054) 0.077 2.980 ( 0.000 0.401 0.247) 0.471 3.048 ( -0.000 -0.693 -1.168) 1.358 4.301 ( 0.000 -2.186 0.055) 2.187 4.302 ( 0.000 -2.239 0.231) 2.251 4.407 ( 0.000 1.257 0.666) 1.423 4.534 ( -0.000 -0.422 -0.796) 0.901 4.880 ( 0.000 -0.457 -0.135) 0.477 4.911 ( 0.000 -1.799 -0.260) 1.818 5.718 ( -0.000 0.510 0.130) 0.526 5.733 ( 0.000 -0.220 0.173) 0.280 6.601 ( 0.000 -0.404 0.661) 0.775 6.642 ( 0.000 -1.104 -0.104) 1.109 6.709 ( -0.000 0.812 0.074) 0.815 6.743 ( -0.000 0.274 -0.552) 0.616 7.328 ( -0.000 0.537 0.212) 0.577 7.332 ( -0.000 0.788 0.023) 0.788 7.808 ( 0.000 -0.397 -0.004) 0.397 7.809 ( 0.000 -0.436 -0.025) 0.437 12.197 ( -0.000 1.886 0.633) 1.989 12.400 ( -0.000 1.372 -2.573) 2.916 12.457 ( 0.000 -0.694 0.630) 0.937 12.618 ( -0.000 3.063 -1.134) 3.266 12.773 ( 0.000 -3.315 0.244) 3.324 12.802 ( -0.000 -0.138 -0.285) 0.317 12.888 ( 0.000 -0.099 0.211) 0.233 12.930 ( -0.000 -0.513 -0.312) 0.600 ======================= Grid point 226 (90/171) ======================= q-point: ( 0.40 0.10 0.20) 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 1.10e-04 1.10e-04 3.67e-09 3.67e-09 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.604 ( -6.707 11.201 5.683) 14.239 0.789 ( -6.500 14.320 4.097) 16.251 1.025 ( -5.170 9.191 -2.751) 10.898 1.179 ( -17.185 9.839 -2.394) 19.947 1.251 ( -15.612 9.417 0.175) 18.233 1.367 ( 0.046 -2.217 0.416) 2.256 1.444 ( -10.918 -2.131 0.826) 11.154 1.487 ( -8.596 1.868 3.014) 9.299 1.670 ( 1.411 -0.038 -2.452) 2.829 1.711 ( 1.143 0.142 0.640) 1.318 1.868 ( -1.605 -1.847 -6.866) 7.289 1.941 ( -8.267 -4.920 -0.511) 9.634 2.000 ( 2.200 -5.828 1.735) 6.467 2.129 ( -1.925 -0.745 0.785) 2.208 2.155 ( -5.893 -3.084 -0.190) 6.654 2.216 ( -5.002 3.176 0.006) 5.925 2.256 ( -2.009 1.715 1.043) 2.840 2.315 ( -3.257 -1.163 2.209) 4.104 2.498 ( 2.722 0.465 0.509) 2.808 2.555 ( 11.718 0.781 -0.781) 11.770 2.798 ( 6.664 0.077 -1.047) 6.746 2.848 ( 6.530 -0.239 0.315) 6.542 2.901 ( 8.341 0.004 0.898) 8.389 2.941 ( 9.701 -0.829 -0.569) 9.753 4.336 ( -5.314 -2.027 -0.033) 5.687 4.349 ( -6.079 -1.986 0.234) 6.400 4.464 ( -4.380 1.164 0.556) 4.566 4.554 ( -2.805 -0.305 -0.653) 2.896 4.846 ( 3.162 -0.619 -0.028) 3.222 4.868 ( 3.063 -1.614 -0.230) 3.470 5.672 ( 5.533 0.301 0.101) 5.543 5.681 ( 5.624 -0.195 0.089) 5.628 6.610 ( -1.083 -0.141 0.218) 1.113 6.647 ( -1.136 -0.812 0.054) 1.398 6.716 ( -0.141 0.703 -0.134) 0.730 6.743 ( -0.322 0.353 -0.042) 0.479 7.330 ( -0.061 0.352 -0.115) 0.375 7.363 ( -1.642 -0.686 -0.027) 1.780 7.821 ( -1.736 -0.141 0.036) 1.742 7.825 ( -1.904 -0.273 0.008) 1.924 12.259 ( -3.861 0.281 0.241) 3.879 12.402 ( -0.617 -0.484 -2.418) 2.542 12.466 ( -0.602 0.404 0.839) 1.109 12.615 ( 1.816 1.697 -2.301) 3.387 12.682 ( 3.460 -0.233 2.355) 4.191 12.868 ( -2.289 -1.973 -1.023) 3.190 12.897 ( -1.042 -0.144 0.523) 1.174 12.925 ( -0.458 -0.331 -0.251) 0.619 ======================= Grid point 227 (91/171) ======================= q-point: ( 0.50 0.10 0.20) 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 1.10e-04 1.10e-04 3.67e-09 3.67e-09 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.831 ( -7.852 8.264 3.898) 12.047 0.971 ( -2.327 8.404 3.860) 9.536 1.104 ( -1.532 3.580 -3.583) 5.292 1.246 ( 0.735 -1.576 -3.227) 3.666 1.407 ( -3.113 0.981 1.050) 3.428 1.531 ( -5.635 0.804 4.889) 7.504 1.628 ( 0.163 0.855 -1.927) 2.115 1.669 ( -1.252 0.422 -1.336) 1.879 1.758 ( -7.744 0.925 -2.993) 8.353 1.823 ( -8.807 0.733 1.946) 9.049 1.899 ( -3.482 0.571 -0.276) 3.539 2.011 ( -14.239 -3.233 -0.426) 14.607 2.096 ( -11.316 -3.491 -0.927) 11.879 2.122 ( -1.446 -0.280 2.761) 3.129 2.254 ( -4.276 -2.127 -1.444) 4.989 2.332 ( -4.719 -0.194 -0.083) 4.724 2.367 ( -5.879 3.421 1.482) 6.961 2.400 ( -4.412 2.309 -1.767) 5.284 2.447 ( -7.550 1.935 -0.362) 7.803 2.507 ( -5.115 2.046 1.200) 5.638 2.629 ( 10.276 -0.216 -1.639) 10.408 2.656 ( 12.171 -1.505 -0.364) 12.269 2.705 ( 12.700 -1.866 -0.159) 12.838 2.742 ( 10.430 0.384 2.356) 10.699 4.441 ( -7.054 -1.302 -0.106) 7.174 4.465 ( -7.417 -1.394 0.178) 7.549 4.560 ( -5.108 0.334 -0.723) 5.169 4.620 ( -3.962 0.570 0.351) 4.018 4.760 ( 5.344 -1.029 0.031) 5.442 4.781 ( 5.204 -1.122 0.192) 5.327 5.524 ( 10.772 -0.024 -0.090) 10.772 5.529 ( 10.889 -0.154 0.029) 10.890 6.638 ( -1.881 0.242 -0.352) 1.929 6.669 ( -1.368 0.273 0.388) 1.447 6.723 ( -0.430 0.122 -0.151) 0.471 6.755 ( -0.687 -0.272 0.158) 0.755 7.336 ( -0.432 0.035 0.134) 0.454 7.372 ( -0.521 -1.189 -0.360) 1.347 7.863 ( -2.563 0.246 0.088) 2.576 7.867 ( -2.616 0.063 0.024) 2.617 12.324 ( -3.270 -0.275 0.058) 3.282 12.394 ( -0.321 -1.580 -0.988) 1.891 12.471 ( 0.078 -0.726 -1.837) 1.977 12.588 ( 0.942 0.926 1.327) 1.873 12.657 ( 1.927 2.450 1.183) 3.334 12.857 ( 0.396 -2.052 -1.378) 2.503 12.907 ( -0.098 0.134 0.150) 0.224 12.939 ( -0.485 -0.319 0.446) 0.732 ======================= Grid point 228 (92/171) ======================= q-point: ( 0.60 0.10 0.20) 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 1.10e-04 1.10e-04 3.67e-09 3.67e-09 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.012 ( -4.735 0.657 0.034) 4.781 1.056 ( -3.805 4.091 1.752) 5.855 1.156 ( -4.050 0.536 0.655) 4.138 1.225 ( -1.936 -1.236 -2.558) 3.437 1.466 ( -2.126 0.825 -0.357) 2.308 1.609 ( -1.233 0.257 1.970) 2.338 1.630 ( -0.663 0.064 -0.598) 0.895 1.677 ( -1.921 -0.919 2.351) 3.171 1.809 ( -0.258 -0.408 -2.493) 2.540 1.831 ( 0.672 0.882 1.694) 2.024 1.958 ( -0.567 -1.822 0.939) 2.127 2.032 ( 2.509 -0.334 1.384) 2.884 2.137 ( 5.804 1.332 -3.959) 7.150 2.206 ( 3.582 2.853 -2.371) 5.157 2.276 ( 6.506 1.513 -0.270) 6.685 2.310 ( 1.854 0.576 -0.598) 2.031 2.372 ( 10.977 -3.698 1.131) 11.638 2.449 ( 4.797 1.361 1.033) 5.092 2.460 ( 6.878 -3.085 -0.945) 7.597 2.537 ( 7.001 1.373 2.071) 7.429 2.634 ( -14.410 1.870 0.117) 14.532 2.693 ( -10.782 0.237 -1.326) 10.866 2.836 ( -29.624 0.451 0.389) 29.630 2.851 ( -27.095 0.461 0.651) 27.107 4.552 ( -5.393 -0.458 -0.172) 5.415 4.577 ( -4.446 -0.543 0.008) 4.479 4.620 ( 4.673 -0.597 -0.774) 4.774 4.641 ( -4.168 -0.094 -1.371) 4.389 4.673 ( 5.541 -0.760 0.793) 5.649 4.723 ( -2.880 0.011 1.389) 3.198 5.290 ( 14.636 -0.078 -0.107) 14.636 5.290 ( 15.028 -0.139 -0.108) 15.029 6.673 ( -1.835 0.507 -0.586) 1.992 6.695 ( -0.557 0.662 -0.017) 0.865 6.736 ( -0.994 0.042 0.652) 1.190 6.761 ( -0.555 -0.834 -0.041) 1.003 7.347 ( -0.640 0.010 0.341) 0.725 7.370 ( -0.541 -1.021 -0.498) 1.258 7.909 ( -2.073 0.223 -0.027) 2.086 7.913 ( -2.170 0.262 0.078) 2.187 12.364 ( -1.359 -1.100 -0.484) 1.814 12.392 ( -1.150 -1.172 -0.476) 1.710 12.453 ( -0.184 -0.475 -1.412) 1.501 12.591 ( 0.995 -0.108 3.320) 3.467 12.654 ( 0.925 4.109 -0.815) 4.290 12.826 ( 0.310 -2.535 -1.490) 2.957 12.906 ( 0.400 0.280 -0.189) 0.524 12.934 ( 0.994 -0.098 0.641) 1.187 ======================= Grid point 229 (93/171) ======================= q-point: ( 0.70 0.10 0.20) 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 1.10e-04 1.10e-04 3.67e-09 3.67e-09 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.089 ( -7.514 -1.920 -1.248) 7.855 1.148 ( -4.501 -0.416 -1.500) 4.762 1.267 ( -4.956 0.410 0.918) 5.057 1.297 ( -7.625 -0.819 0.430) 7.681 1.483 ( -0.496 0.412 -2.213) 2.305 1.621 ( 0.890 0.714 2.175) 2.456 1.651 ( -1.532 -0.586 2.064) 2.636 1.725 ( 0.207 -0.457 1.784) 1.853 1.801 ( -0.953 -0.672 -0.743) 1.382 1.826 ( 2.357 1.106 5.137) 5.759 1.925 ( 5.236 3.835 -1.158) 6.593 1.975 ( 4.946 1.218 -1.130) 5.218 2.018 ( 9.389 0.374 -3.342) 9.973 2.025 ( 9.339 1.200 -2.764) 9.813 2.054 ( 7.790 -0.656 -2.602) 8.239 2.182 ( 4.886 -6.655 -1.575) 8.405 2.331 ( 1.758 2.037 1.547) 3.104 2.383 ( -0.570 0.382 1.003) 1.215 2.422 ( 4.217 -0.826 1.429) 4.529 2.469 ( -0.945 1.085 1.060) 1.787 2.861 ( -8.408 0.986 -0.242) 8.469 2.877 ( -7.674 0.128 -0.914) 7.729 3.347 ( -23.840 0.036 0.096) 23.840 3.357 ( -24.411 0.049 0.210) 24.412 4.498 ( 4.789 -0.241 -0.824) 4.865 4.563 ( 3.935 0.512 0.770) 4.042 4.646 ( -3.145 -0.909 -0.002) 3.273 4.663 ( -3.288 -0.595 0.084) 3.342 4.696 ( -2.495 -0.066 -1.168) 2.756 4.775 ( -1.487 0.311 0.983) 1.810 5.008 ( 14.595 -0.081 -0.254) 14.597 5.017 ( 14.139 -0.004 0.019) 14.139 6.694 ( 0.372 0.049 -0.313) 0.489 6.704 ( -0.988 0.384 -0.404) 1.134 6.746 ( 0.324 -0.292 0.188) 0.475 6.781 ( -1.766 0.067 0.545) 1.850 7.357 ( -0.306 -0.061 -0.089) 0.324 7.378 ( -1.012 -0.409 -0.014) 1.091 7.938 ( -1.019 0.074 -0.113) 1.028 7.945 ( -1.009 0.159 0.078) 1.025 12.370 ( -0.850 -0.729 -0.667) 1.303 12.391 ( -0.385 -1.434 -1.704) 2.260 12.472 ( -1.332 0.863 1.209) 1.995 12.573 ( 1.648 -1.000 2.627) 3.258 12.673 ( 0.189 4.359 -1.770) 4.709 12.802 ( -0.600 -2.775 -1.308) 3.126 12.898 ( 0.532 0.177 -0.062) 0.564 12.912 ( 1.456 -0.067 0.312) 1.490 ======================= Grid point 230 (94/171) ======================= q-point: (-0.20 0.10 0.20) 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 1.10e-04 1.10e-04 3.67e-09 3.67e-09 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.234 ( -6.352 0.016 -1.686) 6.572 1.240 ( -6.665 -0.784 -0.938) 6.777 1.308 ( 0.360 0.165 -1.819) 1.861 1.389 ( 0.839 0.024 5.217) 5.284 1.531 ( -5.092 0.106 -3.933) 6.435 1.595 ( 3.250 -0.190 2.495) 4.102 1.620 ( 7.326 -0.655 2.125) 7.655 1.678 ( 0.751 -0.308 -3.139) 3.242 1.733 ( 7.959 0.133 0.767) 7.997 1.800 ( -1.084 -0.232 -1.706) 2.034 1.824 ( 8.150 1.947 -0.718) 8.410 1.881 ( -2.606 0.502 -0.072) 2.655 1.927 ( -3.075 0.290 4.419) 5.392 2.007 ( -2.063 1.735 -1.177) 2.942 2.032 ( -2.598 -0.212 -2.255) 3.447 2.090 ( 0.161 -4.904 -1.702) 5.193 2.305 ( 2.274 2.707 0.768) 3.617 2.367 ( 1.048 -2.529 1.085) 2.945 2.433 ( -2.768 1.182 -0.164) 3.014 2.498 ( -0.778 0.705 0.659) 1.240 2.921 ( 2.703 -0.129 -0.485) 2.749 2.933 ( 1.164 -0.248 -0.386) 1.251 3.589 ( 0.377 -0.059 -0.216) 0.439 3.614 ( -0.658 0.089 0.231) 0.703 4.459 ( -1.352 0.053 -0.490) 1.439 4.531 ( -0.315 0.401 0.819) 0.964 4.679 ( -0.586 -0.299 -0.133) 0.671 4.695 ( -0.497 -0.139 0.106) 0.527 4.719 ( -0.590 -0.072 -0.834) 1.024 4.784 ( 1.009 0.135 0.469) 1.121 4.850 ( -0.260 -0.031 -0.212) 0.337 4.862 ( 0.216 -0.037 0.055) 0.225 6.680 ( 0.796 -0.207 -0.255) 0.861 6.708 ( 0.862 -0.033 0.224) 0.891 6.741 ( -0.224 -0.043 -0.627) 0.667 6.812 ( -0.997 0.306 0.682) 1.246 7.358 ( -0.014 -0.039 -0.378) 0.381 7.396 ( -0.989 0.008 0.304) 1.034 7.946 ( 0.118 -0.016 -0.074) 0.140 7.951 ( 0.470 0.001 0.016) 0.470 12.373 ( 0.152 -0.263 -1.121) 1.162 12.392 ( -1.621 -0.698 -0.918) 1.989 12.507 ( -0.740 1.069 1.755) 2.184 12.546 ( 1.285 -1.174 1.818) 2.517 12.691 ( -0.155 3.025 -2.344) 3.830 12.797 ( -1.283 -2.083 -0.835) 2.585 12.889 ( 0.814 0.138 0.253) 0.863 12.893 ( 0.261 -0.175 -0.001) 0.314 ======================= Grid point 231 (95/171) ======================= q-point: (-0.10 0.10 0.20) 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 1.10e-04 1.10e-04 3.67e-09 3.67e-09 Number of triplets: 275 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.073 ( 15.994 -0.000 -1.462) 16.061 1.250 ( 8.215 -0.000 -0.083) 8.215 1.363 ( 3.150 0.000 5.000) 5.909 1.390 ( 2.075 0.000 1.682) 2.671 1.465 ( 4.025 -0.000 -5.333) 6.681 1.514 ( -0.332 0.000 0.054) 0.336 1.554 ( -0.258 -0.000 -1.534) 1.555 1.658 ( 0.653 -0.000 -3.028) 3.098 1.782 ( -9.649 0.000 0.056) 9.649 1.802 ( -4.370 0.000 0.363) 4.386 1.880 ( -5.399 0.000 0.875) 5.470 1.978 ( -0.896 0.000 1.489) 1.738 2.021 ( 2.117 0.000 2.561) 3.323 2.044 ( -13.371 0.000 0.427) 13.378 2.086 ( -3.982 -0.000 -1.601) 4.292 2.124 ( -6.464 -0.000 -1.214) 6.577 2.326 ( -4.022 -0.000 -0.681) 4.080 2.346 ( 0.898 0.000 1.061) 1.390 2.495 ( -3.778 0.000 0.055) 3.778 2.514 ( -0.913 -0.000 -0.119) 0.921 2.774 ( 12.264 -0.000 -0.677) 12.282 2.827 ( 9.758 -0.000 -0.083) 9.758 3.330 ( 24.887 -0.000 -0.274) 24.888 3.383 ( 23.085 0.000 0.344) 23.088 4.533 ( -6.197 -0.000 -0.052) 6.198 4.589 ( -5.144 0.000 0.642) 5.184 4.658 ( 2.636 -0.000 -0.172) 2.641 4.678 ( 2.342 0.000 0.058) 2.343 4.711 ( 1.121 -0.000 -0.491) 1.224 4.742 ( 3.635 -0.000 -0.108) 3.636 5.014 ( -14.850 0.000 -0.011) 14.850 5.016 ( -14.389 0.000 0.015) 14.389 6.663 ( 0.876 -0.000 -0.125) 0.885 6.684 ( 1.542 0.000 0.125) 1.547 6.740 ( 0.179 -0.000 -0.502) 0.533 6.823 ( 0.201 0.000 0.497) 0.536 7.354 ( 0.344 -0.000 -0.380) 0.512 7.414 ( -0.819 0.000 0.352) 0.892 7.930 ( 1.737 -0.000 -0.036) 1.737 7.934 ( 1.166 0.000 0.013) 1.166 12.363 ( 0.240 -0.000 -0.817) 0.851 12.421 ( -1.977 -0.000 -0.438) 2.025 12.523 ( 0.418 0.000 1.156) 1.229 12.528 ( 0.705 0.000 1.305) 1.483 12.707 ( -1.239 -0.000 -1.706) 2.108 12.809 ( -1.365 -0.000 -0.488) 1.450 12.884 ( -0.158 0.000 0.267) 0.311 12.892 ( -0.117 0.000 0.098) 0.153 ======================= Grid point 232 (96/171) ======================= q-point: ( 0.00 0.20 0.20) 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 1.10e-04 1.10e-04 3.67e-09 3.67e-09 Number of triplets: 171 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.067 ( 16.420 -0.000 0.000) 16.420 1.249 ( 7.498 -0.000 0.000) 7.498 1.398 ( 1.291 -0.000 0.000) 1.291 1.400 ( 5.967 -0.000 0.000) 5.967 1.426 ( 1.317 -0.000 0.000) 1.317 1.514 ( 0.050 -0.000 0.000) 0.050 1.549 ( 0.357 -0.000 0.000) 0.357 1.644 ( 0.776 -0.000 0.000) 0.776 1.783 ( -9.525 0.000 -0.000) 9.525 1.803 ( -4.578 0.000 -0.000) 4.578 1.884 ( -5.245 0.000 -0.000) 5.245 1.984 ( -0.474 0.000 -0.000) 0.474 2.033 ( 2.457 -0.000 0.000) 2.457 2.045 ( -13.786 0.000 -0.000) 13.786 2.078 ( -4.601 0.000 -0.000) 4.601 2.119 ( -6.551 0.000 -0.000) 6.551 2.323 ( -4.029 0.000 -0.000) 4.029 2.351 ( 0.917 -0.000 0.000) 0.917 2.495 ( -3.857 0.000 -0.000) 3.857 2.513 ( -0.728 0.000 -0.000) 0.728 2.771 ( 12.379 -0.000 0.000) 12.379 2.826 ( 9.720 -0.000 0.000) 9.720 3.329 ( 24.912 -0.000 0.000) 24.912 3.385 ( 23.018 -0.000 0.000) 23.018 4.533 ( -6.283 0.000 -0.000) 6.283 4.592 ( -5.205 0.000 -0.000) 5.205 4.657 ( 2.653 -0.000 0.000) 2.653 4.678 ( 2.352 -0.000 0.000) 2.352 4.709 ( 1.107 -0.000 0.000) 1.107 4.742 ( 3.770 -0.000 0.000) 3.770 5.014 ( -14.865 0.000 -0.000) 14.865 5.016 ( -14.379 0.000 -0.000) 14.379 6.662 ( 0.862 -0.000 0.000) 0.862 6.685 ( 1.569 -0.000 0.000) 1.569 6.738 ( 0.176 -0.000 0.000) 0.176 6.825 ( 0.205 -0.000 0.000) 0.205 7.352 ( 0.367 -0.000 0.000) 0.367 7.415 ( -0.856 0.000 -0.000) 0.856 7.930 ( 1.748 -0.000 0.000) 1.748 7.934 ( 1.147 -0.000 0.000) 1.147 12.359 ( 0.214 -0.000 0.000) 0.214 12.419 ( -2.016 0.000 -0.000) 2.016 12.528 ( 0.544 -0.000 0.000) 0.544 12.534 ( 0.671 -0.000 0.000) 0.671 12.699 ( -1.360 0.000 -0.000) 1.360 12.807 ( -1.402 0.000 -0.000) 1.402 12.885 ( -0.197 0.000 -0.000) 0.197 12.893 ( -0.128 0.000 -0.000) 0.128 ======================= Grid point 236 (97/171) ======================= q-point: ( 0.40 0.20 0.20) 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 1.10e-04 1.10e-04 3.67e-09 3.67e-09 Number of triplets: 282 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.480 ( 0.000 10.255 10.686) 14.810 0.577 ( -0.000 16.231 3.394) 16.582 0.775 ( -0.000 15.413 -1.435) 15.480 0.908 ( -0.000 17.509 8.066) 19.277 0.997 ( -0.000 11.155 -6.942) 13.139 1.389 ( 0.000 -1.068 1.322) 1.700 1.395 ( 0.000 -2.105 -0.811) 2.256 1.430 ( 0.000 -0.858 0.037) 0.858 1.667 ( -0.000 0.115 -2.286) 2.289 1.740 ( -0.000 0.429 -2.124) 2.167 1.852 ( 0.000 -3.683 -1.046) 3.829 1.867 ( -0.000 -2.973 -4.338) 5.259 2.049 ( -0.000 1.087 0.144) 1.097 2.114 ( 0.000 -6.505 3.051) 7.185 2.133 ( -0.000 -0.665 -1.654) 1.783 2.135 ( -0.000 0.630 -0.963) 1.151 2.277 ( 0.000 -1.999 3.600) 4.118 2.292 ( 0.000 0.347 2.292) 2.319 2.529 ( 0.000 0.868 1.996) 2.177 2.703 ( -0.000 -1.683 -4.157) 4.485 2.871 ( 0.000 -0.279 0.815) 0.861 2.887 ( -0.000 -0.142 -0.094) 0.170 2.983 ( 0.000 0.360 0.461) 0.585 3.036 ( -0.000 -0.208 -1.621) 1.634 4.302 ( 0.000 -2.201 0.106) 2.204 4.304 ( 0.000 -2.329 0.256) 2.343 4.415 ( 0.000 1.251 1.334) 1.829 4.524 ( -0.000 -0.229 -1.514) 1.531 4.879 ( 0.000 -0.538 0.008) 0.538 4.908 ( 0.000 -1.728 -0.492) 1.797 5.720 ( 0.000 0.498 0.254) 0.559 5.734 ( 0.000 -0.161 0.105) 0.192 6.608 ( 0.000 -0.777 0.984) 1.254 6.641 ( 0.000 -1.131 -0.217) 1.152 6.710 ( -0.000 0.815 0.158) 0.830 6.737 ( -0.000 0.524 -0.821) 0.974 7.331 ( -0.000 0.543 0.252) 0.599 7.332 ( -0.000 0.787 0.042) 0.788 7.808 ( 0.000 -0.396 -0.004) 0.396 7.809 ( 0.000 -0.429 -0.043) 0.432 12.205 ( 0.000 1.990 1.282) 2.367 12.370 ( -0.000 1.727 -4.279) 4.615 12.467 ( 0.000 0.070 1.729) 1.731 12.604 ( -0.000 2.544 -2.057) 3.271 12.776 ( 0.000 -2.659 0.396) 2.688 12.799 ( -0.000 -0.024 -0.426) 0.427 12.890 ( 0.000 -0.073 0.411) 0.417 12.926 ( -0.000 -0.418 -0.574) 0.710 ======================= Grid point 237 (98/171) ======================= q-point: ( 0.50 0.20 0.20) 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 1.10e-04 1.10e-04 3.67e-09 3.67e-09 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.662 ( -5.850 9.454 7.581) 13.457 0.832 ( -7.516 12.970 5.849) 16.091 0.994 ( -3.649 9.115 -4.535) 10.815 1.150 ( -14.843 6.393 -4.393) 16.748 1.262 ( -16.742 10.743 2.177) 20.011 1.371 ( -2.460 1.789 0.635) 3.107 1.451 ( -10.186 -1.149 0.766) 10.280 1.513 ( -6.828 1.847 2.650) 7.553 1.650 ( -0.116 -0.801 -2.088) 2.240 1.715 ( 0.921 -0.373 0.346) 1.052 1.813 ( -2.069 -1.607 -6.038) 6.582 1.935 ( -7.613 -3.988 -0.872) 8.639 2.007 ( 2.175 -6.581 0.090) 6.931 2.133 ( -4.765 1.846 0.006) 5.111 2.153 ( -4.142 -5.546 -0.077) 6.922 2.217 ( -7.065 3.216 -0.114) 7.763 2.270 ( 1.082 0.659 2.231) 2.566 2.334 ( -2.641 0.055 2.227) 3.455 2.503 ( 3.775 -0.220 0.641) 3.836 2.547 ( 10.067 0.830 -1.039) 10.155 2.789 ( 7.183 -0.070 -0.956) 7.247 2.850 ( 6.745 -0.192 0.231) 6.751 2.909 ( 7.644 -0.158 0.967) 7.707 2.935 ( 9.320 -0.805 -0.711) 9.382 4.336 ( -5.308 -2.116 -0.026) 5.714 4.351 ( -6.053 -1.977 0.238) 6.372 4.470 ( -3.930 0.895 0.847) 4.119 4.547 ( -3.172 0.096 -0.951) 3.312 4.846 ( 3.096 -0.767 0.066) 3.190 4.866 ( 2.967 -1.453 -0.345) 3.321 5.673 ( 5.614 0.249 0.161) 5.622 5.681 ( 5.681 -0.126 0.042) 5.683 6.612 ( -0.820 -0.315 0.248) 0.913 6.648 ( -1.296 -0.796 0.070) 1.522 6.715 ( -0.048 0.637 -0.164) 0.660 6.743 ( -0.573 0.405 -0.045) 0.703 7.329 ( -0.143 0.271 -0.132) 0.334 7.362 ( -1.338 -0.393 -0.035) 1.395 7.822 ( -1.781 -0.153 0.056) 1.789 7.825 ( -1.911 -0.243 -0.009) 1.926 12.262 ( -3.312 0.700 0.493) 3.420 12.378 ( -1.232 0.374 -3.024) 3.286 12.475 ( 0.115 -0.349 1.321) 1.371 12.596 ( 1.203 1.718 -2.117) 2.980 12.700 ( 3.137 0.137 1.894) 3.667 12.859 ( -1.922 -1.716 -1.030) 2.774 12.901 ( -1.072 -0.075 0.503) 1.187 12.923 ( -0.637 -0.189 -0.374) 0.762 ======================= Grid point 238 (99/171) ======================= q-point: ( 0.60 0.20 0.20) 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 1.10e-04 1.10e-04 3.67e-09 3.67e-09 Number of triplets: 504 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.868 ( -7.160 6.395 4.822) 10.743 1.005 ( -1.158 7.089 3.620) 8.044 1.072 ( -2.979 4.318 -3.308) 6.202 1.217 ( 1.027 1.356 -3.706) 4.078 1.418 ( -2.715 0.241 1.653) 3.187 1.568 ( -5.248 0.563 3.361) 6.258 1.612 ( -1.117 0.262 -1.464) 1.860 1.663 ( -2.296 1.027 0.077) 2.516 1.726 ( -5.514 1.073 -4.377) 7.121 1.837 ( -5.932 -0.672 1.150) 6.080 1.907 ( -7.069 1.402 1.859) 7.443 2.002 ( -16.769 -0.778 -1.655) 16.868 2.087 ( -10.471 -4.143 -0.929) 11.300 2.146 ( 0.929 -1.942 2.536) 3.326 2.244 ( -4.294 -2.043 -0.826) 4.826 2.327 ( -7.659 1.558 -1.291) 7.922 2.380 ( -4.445 3.323 1.453) 5.737 2.391 ( -2.409 0.943 -0.310) 2.606 2.441 ( -7.195 2.034 -0.946) 7.536 2.516 ( -5.875 2.147 0.880) 6.316 2.617 ( 10.145 -0.094 -1.099) 10.205 2.653 ( 12.252 -1.630 -0.213) 12.361 2.703 ( 12.671 -2.335 -0.318) 12.888 2.760 ( 9.866 0.398 1.890) 10.054 4.441 ( -7.071 -1.429 -0.094) 7.214 4.467 ( -7.353 -1.325 0.158) 7.473 4.554 ( -4.716 -0.080 -0.636) 4.759 4.622 ( -3.987 1.069 0.264) 4.136 4.760 ( 5.069 -1.303 0.065) 5.234 4.782 ( 5.059 -0.875 0.165) 5.137 5.523 ( 10.820 -0.076 -0.073) 10.821 5.529 ( 10.933 -0.126 0.010) 10.934 6.635 ( -1.731 0.123 -0.280) 1.758 6.672 ( -1.378 0.368 0.300) 1.457 6.722 ( -0.688 -0.143 -0.115) 0.712 6.756 ( -0.575 -0.069 0.138) 0.595 7.337 ( -0.667 -0.148 0.164) 0.703 7.369 ( -0.283 -0.930 -0.387) 1.046 7.864 ( -2.560 0.208 0.104) 2.571 7.867 ( -2.606 0.116 0.005) 2.609 12.325 ( -3.170 -0.170 0.070) 3.175 12.384 ( -0.710 -0.982 -1.181) 1.692 12.458 ( 0.622 -1.582 -1.152) 2.053 12.597 ( 0.113 2.612 0.689) 2.704 12.669 ( 2.281 1.337 1.441) 3.012 12.846 ( 0.528 -1.951 -1.324) 2.416 12.908 ( 0.084 0.112 0.050) 0.149 12.943 ( -0.716 -0.281 0.387) 0.861 ======================= Grid point 239 (100/171) ======================= q-point: ( 0.70 0.20 0.20) 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 1.10e-04 1.10e-04 3.67e-09 3.67e-09 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.013 ( -3.114 -0.753 0.107) 3.206 1.068 ( -4.007 3.018 1.156) 5.148 1.162 ( -4.550 1.853 0.935) 5.001 1.205 ( -1.874 0.449 -2.137) 2.878 1.464 ( -1.378 0.255 -0.154) 1.410 1.622 ( -1.596 -0.363 -0.671) 1.769 1.626 ( -0.753 -0.152 1.919) 2.067 1.701 ( -3.103 -1.292 2.862) 4.415 1.782 ( -1.320 1.290 -3.770) 4.197 1.843 ( -0.251 0.306 1.012) 1.087 1.975 ( -0.049 -2.051 2.773) 3.450 2.043 ( 3.960 -0.134 1.148) 4.125 2.103 ( 5.985 1.176 -4.006) 7.297 2.186 ( 4.095 2.760 -2.187) 5.401 2.269 ( 10.722 0.024 -0.976) 10.766 2.310 ( 0.327 2.145 0.308) 2.192 2.383 ( 10.969 -3.722 1.412) 11.669 2.451 ( 6.105 -3.552 -1.056) 7.141 2.456 ( 2.509 1.709 0.590) 3.093 2.550 ( 5.311 2.357 1.099) 5.914 2.638 ( -13.445 0.974 0.913) 13.511 2.680 ( -10.246 -0.116 -1.540) 10.361 2.839 ( -29.404 0.609 0.389) 29.413 2.856 ( -26.649 0.602 0.424) 26.659 4.551 ( -5.440 -0.569 -0.131) 5.472 4.577 ( -3.862 -0.398 -0.022) 3.882 4.615 ( 4.246 -0.661 -0.462) 4.322 4.631 ( -4.087 -0.194 -0.942) 4.199 4.678 ( 5.401 -0.726 0.554) 5.478 4.733 ( -2.913 0.070 0.902) 3.050 5.289 ( 14.599 -0.094 -0.083) 14.600 5.289 ( 15.085 -0.158 -0.092) 15.086 6.669 ( -1.849 0.426 -0.374) 1.934 6.695 ( -0.307 0.576 -0.099) 0.660 6.742 ( -1.520 -0.100 0.603) 1.638 6.761 ( -0.270 -0.545 -0.122) 0.620 7.351 ( -0.676 -0.173 0.462) 0.837 7.365 ( -0.535 -0.837 -0.589) 1.154 7.909 ( -2.023 0.188 -0.016) 2.032 7.914 ( -2.179 0.296 0.057) 2.200 12.361 ( -1.239 -1.399 -0.222) 1.882 12.386 ( -0.738 -1.110 -0.902) 1.609 12.446 ( -1.086 -0.321 -0.344) 1.183 12.615 ( 0.905 0.875 2.412) 2.720 12.648 ( 1.462 3.238 -0.688) 3.618 12.814 ( 0.321 -2.513 -1.294) 2.845 12.905 ( 0.409 0.227 -0.111) 0.481 12.939 ( 1.009 -0.170 0.418) 1.105 ======================= Grid point 240 (101/171) ======================= q-point: ( 0.80 0.20 0.20) 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 1.10e-04 1.10e-04 3.67e-09 3.67e-09 Number of triplets: 504 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.081 ( -7.592 -2.001 -0.661) 7.879 1.135 ( -3.549 -0.721 -1.203) 3.816 1.271 ( -4.050 0.105 0.164) 4.054 1.305 ( -9.540 -0.088 1.114) 9.605 1.468 ( 0.296 0.113 -1.318) 1.356 1.632 ( -0.252 0.037 0.351) 0.434 1.675 ( -2.280 0.447 3.335) 4.064 1.740 ( 1.943 -1.198 1.803) 2.909 1.783 ( -0.485 -0.507 -2.990) 3.071 1.870 ( 0.748 2.292 4.550) 5.149 1.915 ( 3.739 2.481 -0.843) 4.565 1.970 ( 6.905 2.003 -0.270) 7.195 1.991 ( 12.875 0.962 -2.446) 13.140 2.006 ( 6.728 1.182 -1.913) 7.094 2.033 ( 6.591 -1.275 -2.186) 7.060 2.173 ( 5.695 -7.394 -0.658) 9.356 2.340 ( 0.483 2.158 0.583) 2.287 2.389 ( 0.163 0.057 0.539) 0.566 2.433 ( 5.058 -0.624 0.966) 5.187 2.476 ( -0.889 1.524 0.628) 1.873 2.860 ( -8.386 0.578 0.064) 8.406 2.869 ( -7.923 0.248 -0.784) 7.966 3.348 ( -23.700 -0.027 0.061) 23.700 3.359 ( -24.382 0.158 0.126) 24.382 4.492 ( 4.782 -0.296 -0.430) 4.810 4.568 ( 3.741 0.704 0.384) 3.826 4.647 ( -3.054 -1.122 0.014) 3.253 4.663 ( -3.268 -0.495 0.048) 3.305 4.688 ( -2.544 -0.138 -0.624) 2.623 4.781 ( -1.381 0.326 0.513) 1.509 5.006 ( 14.636 -0.104 -0.150) 14.637 5.017 ( 14.095 -0.002 0.003) 14.095 6.692 ( 0.423 -0.063 -0.145) 0.451 6.701 ( -1.202 0.418 -0.282) 1.304 6.747 ( 0.627 -0.417 0.136) 0.765 6.784 ( -1.912 0.272 0.301) 1.954 7.356 ( -0.158 -0.223 -0.054) 0.278 7.377 ( -1.175 -0.259 -0.009) 1.203 7.937 ( -1.010 0.062 -0.062) 1.013 7.945 ( -0.997 0.162 0.040) 1.011 12.367 ( -0.914 -1.054 -0.164) 1.405 12.379 ( -0.176 -1.156 -1.179) 1.661 12.482 ( -1.840 0.764 0.883) 2.179 12.591 ( 1.894 -0.990 1.549) 2.640 12.660 ( 0.547 4.323 -1.185) 4.515 12.792 ( -0.713 -2.731 -0.871) 2.954 12.898 ( 0.430 0.114 -0.035) 0.447 12.914 ( 1.540 -0.113 0.160) 1.552 ======================= Grid point 241 (102/171) ======================= q-point: (-0.10 0.20 0.20) 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 1.10e-04 1.10e-04 3.67e-09 3.67e-09 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.218 ( -6.309 -0.320 -1.128) 6.417 1.241 ( -7.945 -0.528 0.158) 7.964 1.298 ( 1.705 0.021 -0.603) 1.809 1.433 ( 0.432 0.073 4.564) 4.585 1.495 ( -4.734 0.085 -4.079) 6.249 1.615 ( 4.417 -0.226 2.062) 4.880 1.629 ( 8.122 0.391 -0.253) 8.135 1.657 ( 2.054 -1.242 -1.449) 2.803 1.738 ( 8.799 0.060 0.307) 8.805 1.792 ( -4.440 -0.400 -0.364) 4.473 1.820 ( 8.104 2.011 -0.248) 8.354 1.879 ( -2.451 0.831 -0.291) 2.604 1.964 ( -2.434 0.732 3.885) 4.643 1.994 ( -3.918 1.068 -2.079) 4.562 2.014 ( -2.985 -0.002 -1.551) 3.364 2.081 ( 0.141 -5.243 -0.432) 5.262 2.309 ( 3.035 2.682 0.241) 4.057 2.373 ( 0.982 -2.113 0.335) 2.354 2.432 ( -2.868 0.793 0.000) 2.975 2.502 ( -0.529 0.882 0.244) 1.057 2.918 ( 2.803 -0.193 -0.179) 2.816 2.930 ( 1.033 -0.261 -0.155) 1.077 3.588 ( 0.452 -0.070 -0.073) 0.463 3.616 ( -0.693 0.102 0.078) 0.705 4.456 ( -1.469 0.019 -0.161) 1.478 4.536 ( -0.302 0.481 0.287) 0.637 4.678 ( -0.584 -0.367 -0.046) 0.691 4.696 ( -0.494 -0.128 0.040) 0.511 4.714 ( -0.623 -0.086 -0.303) 0.698 4.786 ( 1.191 0.154 0.162) 1.212 4.849 ( -0.358 -0.047 -0.082) 0.370 4.862 ( 0.212 -0.034 0.018) 0.215 6.679 ( 0.772 -0.229 -0.087) 0.810 6.709 ( 0.769 -0.012 0.069) 0.772 6.737 ( -0.082 -0.070 -0.208) 0.234 6.816 ( -1.022 0.337 0.236) 1.101 7.356 ( 0.041 -0.066 -0.132) 0.154 7.398 ( -1.050 0.029 0.104) 1.056 7.945 ( 0.097 -0.020 -0.027) 0.102 7.951 ( 0.489 0.001 0.004) 0.489 12.366 ( 0.217 -0.449 -0.401) 0.640 12.386 ( -1.714 -0.532 -0.311) 1.821 12.518 ( -0.849 0.992 0.736) 1.498 12.557 ( 1.336 -1.187 0.672) 1.909 12.677 ( -0.016 2.960 -0.965) 3.114 12.792 ( -1.335 -1.991 -0.347) 2.422 12.890 ( 0.818 -0.007 0.135) 0.829 12.893 ( 0.179 -0.062 -0.051) 0.196 ======================= Grid point 247 (103/171) ======================= q-point: ( 0.50 0.30 0.20) 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 1.10e-04 1.10e-04 3.67e-09 3.67e-09 Number of triplets: 275 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.575 ( 0.000 8.735 11.623) 14.539 0.611 ( -0.000 15.312 4.441) 15.943 0.757 ( -0.000 13.462 -2.757) 13.741 0.930 ( -0.000 10.384 -8.637) 13.507 0.989 ( 0.000 17.021 10.966) 20.247 1.358 ( -0.000 -0.924 -6.756) 6.819 1.403 ( 0.000 -0.521 1.985) 2.052 1.444 ( 0.000 2.298 1.932) 3.003 1.649 ( -0.000 -0.766 -1.700) 1.865 1.716 ( -0.000 -0.393 -3.380) 3.403 1.843 ( 0.000 -3.582 -1.493) 3.880 1.843 ( 0.000 -3.537 -0.855) 3.639 2.052 ( -0.000 1.222 0.464) 1.307 2.111 ( -0.000 1.254 -2.237) 2.564 2.126 ( 0.000 -2.462 -0.073) 2.463 2.141 ( 0.000 -7.244 0.885) 7.298 2.304 ( 0.000 -1.003 2.792) 2.967 2.313 ( 0.000 0.929 2.394) 2.567 2.549 ( 0.000 0.477 2.588) 2.631 2.667 ( -0.000 -0.776 -4.364) 4.433 2.877 ( 0.000 -0.469 0.606) 0.766 2.887 ( 0.000 -0.257 -0.124) 0.286 2.987 ( 0.000 0.300 0.639) 0.706 3.022 ( -0.000 0.067 -1.520) 1.521 4.303 ( 0.000 -2.224 0.146) 2.229 4.306 ( 0.000 -2.359 0.122) 2.362 4.429 ( 0.000 1.162 1.933) 2.255 4.509 ( -0.000 0.053 -2.080) 2.081 4.880 ( 0.000 -0.743 0.318) 0.808 4.903 ( 0.000 -1.611 -0.671) 1.745 5.722 ( 0.000 0.470 0.359) 0.591 5.734 ( -0.000 -0.010 -0.112) 0.113 6.616 ( 0.000 -1.067 0.988) 1.454 6.639 ( 0.000 -1.170 -0.344) 1.220 6.711 ( -0.000 0.821 0.259) 0.861 6.730 ( -0.000 0.716 -0.821) 1.090 7.332 ( -0.000 0.599 0.167) 0.622 7.333 ( -0.000 0.781 0.053) 0.783 7.808 ( 0.000 -0.396 0.003) 0.396 7.809 ( 0.000 -0.420 -0.050) 0.423 12.219 ( 0.000 2.137 1.957) 2.898 12.332 ( -0.000 2.219 -4.521) 5.036 12.485 ( 0.000 0.403 2.480) 2.512 12.584 ( -0.000 1.943 -2.681) 3.311 12.780 ( 0.000 -1.880 0.456) 1.934 12.796 ( -0.000 -0.039 -0.467) 0.469 12.895 ( 0.000 -0.047 0.588) 0.589 12.920 ( -0.000 -0.291 -0.751) 0.806 ======================= Grid point 248 (104/171) ======================= q-point: ( 0.60 0.30 0.20) 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 1.10e-04 1.10e-04 3.67e-09 3.67e-09 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.729 ( -4.920 8.273 8.188) 12.637 0.878 ( -8.386 10.615 3.492) 13.971 0.956 ( -3.490 8.708 -2.987) 9.846 1.107 ( -13.694 5.916 -5.441) 15.879 1.284 ( -14.681 11.011 2.711) 18.551 1.377 ( -5.244 4.782 0.844) 7.148 1.457 ( -9.340 0.220 0.725) 9.371 1.525 ( -5.079 1.993 -0.085) 5.456 1.640 ( -2.245 -1.764 -0.075) 2.856 1.717 ( -0.233 -0.878 0.216) 0.933 1.768 ( -1.651 -1.797 -4.479) 5.101 1.927 ( -6.765 -3.155 -0.910) 7.519 2.005 ( 1.454 -7.029 -0.282) 7.183 2.131 ( -4.849 2.669 -0.176) 5.538 2.153 ( -4.234 -6.484 -0.101) 7.745 2.214 ( -7.922 3.639 -0.280) 8.723 2.289 ( 2.354 -0.244 2.064) 3.141 2.351 ( -1.875 1.140 1.598) 2.714 2.508 ( 5.362 -1.136 0.583) 5.512 2.538 ( 7.801 0.997 -0.962) 7.923 2.782 ( 7.568 -0.235 -0.613) 7.596 2.852 ( 6.908 -0.194 0.143) 6.912 2.916 ( 7.337 -0.330 0.725) 7.381 2.929 ( 8.778 -0.727 -0.615) 8.829 4.336 ( -5.293 -2.185 -0.014) 5.726 4.352 ( -6.045 -1.968 0.159) 6.359 4.478 ( -3.292 0.464 0.911) 3.447 4.538 ( -3.727 0.649 -0.981) 3.909 4.847 ( 3.096 -1.002 0.174) 3.259 4.862 ( 2.831 -1.221 -0.372) 3.105 5.674 ( 5.722 0.171 0.183) 5.727 5.681 ( 5.690 -0.018 -0.040) 5.691 6.614 ( -0.568 -0.469 0.185) 0.760 6.649 ( -1.456 -0.781 0.059) 1.653 6.713 ( 0.026 0.573 -0.132) 0.589 6.742 ( -0.794 0.450 -0.032) 0.913 7.328 ( -0.201 0.206 -0.099) 0.304 7.362 ( -1.072 -0.138 -0.030) 1.081 7.822 ( -1.839 -0.177 0.063) 1.848 7.825 ( -1.904 -0.197 -0.031) 1.914 12.267 ( -2.535 1.162 0.690) 2.873 12.354 ( -1.986 0.828 -2.584) 3.362 12.487 ( 1.058 -1.009 1.370) 2.003 12.579 ( 0.229 2.002 -1.743) 2.664 12.713 ( 2.893 0.429 1.225) 3.170 12.851 ( -1.646 -1.576 -0.756) 2.401 12.905 ( -0.849 0.011 0.472) 0.972 12.919 ( -0.941 -0.025 -0.433) 1.036 ======================= Grid point 249 (105/171) ======================= q-point: ( 0.70 0.30 0.20) 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 1.10e-04 1.10e-04 3.67e-09 3.67e-09 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.911 ( -6.174 4.792 5.266) 9.424 1.002 ( -2.704 3.502 -4.182) 6.088 1.077 ( -1.948 6.696 4.194) 8.138 1.183 ( 1.164 4.521 -4.294) 6.343 1.432 ( -2.134 -0.425 1.365) 2.569 1.580 ( -4.049 -0.179 -0.257) 4.061 1.614 ( -3.125 0.830 2.153) 3.884 1.664 ( -5.372 2.298 -0.977) 5.924 1.692 ( -1.707 -0.171 -2.703) 3.201 1.843 ( -4.366 -1.391 0.413) 4.600 1.927 ( -8.234 1.115 2.764) 8.757 1.984 ( -18.804 1.889 -2.432) 19.054 2.081 ( -9.724 -4.997 -0.515) 10.945 2.162 ( 0.930 -3.022 1.311) 3.423 2.241 ( -2.468 -1.889 0.043) 3.109 2.314 ( -10.394 2.782 -1.495) 10.863 2.386 ( 0.955 0.524 0.170) 1.102 2.398 ( -6.117 2.667 1.596) 6.861 2.432 ( -6.449 2.303 -1.316) 6.973 2.522 ( -6.352 2.208 0.429) 6.739 2.611 ( 9.809 -0.167 -0.492) 9.823 2.652 ( 12.396 -1.582 -0.104) 12.497 2.700 ( 12.506 -2.662 -0.224) 12.788 2.773 ( 9.569 0.353 1.019) 9.630 4.440 ( -7.080 -1.519 -0.054) 7.241 4.468 ( -7.310 -1.279 0.089) 7.421 4.550 ( -4.451 -0.343 -0.362) 4.479 4.624 ( -3.950 1.385 0.133) 4.188 4.761 ( 4.844 -1.485 0.054) 5.067 4.784 ( 4.944 -0.703 0.091) 4.995 5.523 ( 10.861 -0.113 -0.039) 10.862 5.529 ( 10.966 -0.108 -0.001) 10.966 6.633 ( -1.638 0.043 -0.150) 1.646 6.674 ( -1.340 0.432 0.153) 1.416 6.721 ( -0.904 -0.338 -0.055) 0.967 6.757 ( -0.494 0.073 0.077) 0.505 7.338 ( -0.918 -0.337 0.123) 0.986 7.366 ( -0.030 -0.681 -0.260) 0.729 7.865 ( -2.554 0.152 0.082) 2.560 7.867 ( -2.603 0.187 -0.016) 2.610 12.325 ( -3.046 -0.070 0.052) 3.047 12.375 ( -1.053 -0.590 -0.799) 1.447 12.451 ( 0.937 -2.070 -0.504) 2.328 12.600 ( -0.216 3.536 0.253) 3.552 12.679 ( 2.321 0.764 0.996) 2.639 12.836 ( 0.662 -1.945 -0.842) 2.220 12.908 ( 0.182 0.129 0.007) 0.223 12.945 ( -0.855 -0.236 0.214) 0.913 ======================= Grid point 250 (106/171) ======================= q-point: ( 0.80 0.30 0.20) 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 1.10e-04 1.10e-04 3.67e-09 3.67e-09 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.014 ( -2.041 -1.466 0.073) 2.514 1.074 ( -4.651 1.860 0.285) 5.018 1.173 ( -3.316 2.483 1.451) 4.390 1.189 ( -2.931 2.005 -1.753) 3.961 1.463 ( -0.904 -0.092 -0.064) 0.910 1.616 ( -1.569 -0.726 -0.415) 1.777 1.644 ( -1.531 -0.621 1.518) 2.244 1.719 ( -3.537 -1.561 1.247) 4.062 1.753 ( -1.685 2.325 -2.272) 3.662 1.848 ( -0.649 -0.030 0.322) 0.725 1.998 ( -1.611 -1.855 2.054) 3.202 2.051 ( 6.699 -0.148 0.740) 6.741 2.073 ( 5.923 1.160 -2.579) 6.563 2.172 ( 4.332 2.761 -0.959) 5.226 2.263 ( 12.091 -0.490 -0.409) 12.108 2.312 ( 0.391 2.707 0.166) 2.740 2.393 ( 11.764 -3.699 0.795) 12.358 2.443 ( 4.407 -3.674 -0.644) 5.774 2.460 ( 1.668 1.806 0.192) 2.466 2.556 ( 3.871 2.874 0.302) 4.830 2.648 ( -13.321 0.698 1.067) 13.382 2.668 ( -8.956 -0.576 -1.215) 9.057 2.842 ( -29.228 0.701 0.159) 29.237 2.858 ( -26.440 0.678 0.145) 26.449 4.550 ( -5.465 -0.629 -0.049) 5.502 4.577 ( -3.441 -0.316 -0.015) 3.455 4.612 ( 3.919 -0.698 -0.149) 3.983 4.625 ( -4.045 -0.246 -0.333) 4.066 4.682 ( 5.303 -0.709 0.195) 5.354 4.738 ( -2.915 0.097 0.312) 2.933 5.289 ( 14.568 -0.104 -0.030) 14.569 5.289 ( 15.129 -0.169 -0.037) 15.130 6.667 ( -1.856 0.379 -0.128) 1.899 6.694 ( -0.193 0.526 -0.048) 0.562 6.746 ( -2.006 -0.266 0.272) 2.041 6.760 ( 0.106 -0.296 -0.093) 0.328 7.355 ( -0.806 -0.385 0.536) 1.042 7.360 ( -0.424 -0.625 -0.584) 0.955 7.909 ( -1.995 0.170 -0.005) 2.002 7.914 ( -2.182 0.314 0.021) 2.205 12.360 ( -1.299 -1.655 -0.024) 2.104 12.379 ( -0.359 -0.957 -0.453) 1.118 12.445 ( -1.641 -0.272 -0.017) 1.664 12.630 ( 0.521 3.459 0.936) 3.621 12.643 ( 2.137 0.744 -0.295) 2.282 12.806 ( 0.321 -2.534 -0.533) 2.609 12.904 ( 0.410 0.200 -0.037) 0.458 12.941 ( 1.024 -0.203 0.143) 1.054 ======================= Grid point 251 (107/171) ======================= q-point: (-0.10 -0.70 0.20) 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 1.10e-04 1.10e-04 3.67e-09 3.67e-09 Number of triplets: 280 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.079 ( -7.616 -2.025 -0.000) 7.881 1.130 ( -3.218 -0.845 -0.000) 3.328 1.271 ( -3.942 0.052 -0.000) 3.942 1.310 ( -10.163 0.149 -0.000) 10.164 1.462 ( 0.717 -0.022 0.000) 0.717 1.632 ( -0.715 -0.099 -0.000) 0.722 1.693 ( -2.491 0.810 -0.000) 2.620 1.755 ( 0.962 -2.177 0.000) 2.380 1.760 ( 1.339 0.153 0.000) 1.348 1.891 ( -0.955 5.063 -0.000) 5.152 1.913 ( 3.671 -0.684 0.000) 3.734 1.968 ( 9.061 2.458 0.000) 9.389 1.981 ( 13.257 2.050 0.000) 13.414 1.997 ( 5.752 0.736 0.000) 5.799 2.023 ( 6.218 -1.818 0.000) 6.478 2.170 ( 6.038 -7.604 0.000) 9.710 2.342 ( 0.045 2.202 -0.000) 2.203 2.392 ( 0.405 -0.103 0.000) 0.418 2.437 ( 5.390 -0.501 0.000) 5.414 2.479 ( -0.912 1.682 -0.000) 1.914 2.861 ( -8.317 0.179 -0.000) 8.319 2.865 ( -8.079 0.534 -0.000) 8.097 3.348 ( -23.649 -0.048 -0.000) 23.649 3.359 ( -24.368 0.197 -0.000) 24.368 4.490 ( 4.778 -0.314 0.000) 4.788 4.569 ( 3.662 0.775 0.000) 3.743 4.647 ( -3.013 -1.199 0.000) 3.243 4.664 ( -3.263 -0.463 -0.000) 3.296 4.686 ( -2.555 -0.164 -0.000) 2.560 4.783 ( -1.345 0.331 -0.000) 1.386 5.005 ( 14.651 -0.112 0.000) 14.651 5.017 ( 14.079 -0.002 0.000) 14.079 6.692 ( 0.461 -0.120 0.000) 0.477 6.700 ( -1.286 0.445 -0.000) 1.360 6.748 ( 0.717 -0.455 0.000) 0.849 6.785 ( -1.959 0.341 -0.000) 1.989 7.356 ( -0.103 -0.283 0.000) 0.301 7.377 ( -1.235 -0.204 -0.000) 1.252 7.937 ( -1.006 0.057 -0.000) 1.007 7.946 ( -0.992 0.163 -0.000) 1.006 12.367 ( -1.141 -1.396 0.000) 1.803 12.373 ( 0.083 -0.830 0.000) 0.834 12.486 ( -2.034 0.711 -0.000) 2.155 12.598 ( 2.015 -0.981 0.000) 2.241 12.655 ( 0.689 4.326 -0.000) 4.380 12.788 ( -0.766 -2.725 0.000) 2.831 12.897 ( 0.397 0.091 0.000) 0.407 12.915 ( 1.568 -0.128 0.000) 1.574 ======================= Grid point 259 (108/171) ======================= q-point: ( 0.60 0.40 0.20) 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 1.10e-04 1.10e-04 3.67e-09 3.67e-09 Number of triplets: 282 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.651 ( 0.000 14.329 4.886) 15.139 0.673 ( -0.000 8.293 11.287) 14.006 0.729 ( 0.000 13.291 -3.906) 13.853 0.852 ( -0.000 9.643 -9.779) 13.733 1.089 ( 0.000 14.016 12.378) 18.699 1.287 ( -0.000 4.324 -9.974) 10.871 1.421 ( -0.000 0.156 2.376) 2.382 1.452 ( -0.000 1.918 -0.331) 1.946 1.644 ( 0.000 -1.614 0.694) 1.757 1.687 ( 0.000 -1.314 -3.513) 3.750 1.837 ( -0.000 -3.869 -0.303) 3.881 1.838 ( 0.000 -3.704 -0.421) 3.728 2.058 ( 0.000 1.539 1.148) 1.920 2.090 ( -0.000 2.045 -2.439) 3.183 2.129 ( -0.000 -4.170 0.763) 4.239 2.143 ( -0.000 -7.100 -0.357) 7.109 2.324 ( 0.000 -0.114 1.706) 1.710 2.329 ( 0.000 0.933 1.215) 1.532 2.572 ( -0.000 0.102 3.020) 3.022 2.631 ( 0.000 -0.363 -3.994) 4.010 2.881 ( -0.000 -0.504 0.396) 0.641 2.885 ( -0.000 -0.372 -0.166) 0.407 2.993 ( -0.000 0.237 0.806) 0.841 3.011 ( -0.000 0.155 -1.253) 1.262 4.304 ( 0.000 -2.255 0.160) 2.261 4.306 ( -0.000 -2.334 -0.030) 2.334 4.447 ( 0.000 0.971 2.357) 2.549 4.489 ( -0.000 0.378 -2.434) 2.463 4.884 ( -0.000 -1.000 0.595) 1.163 4.896 ( -0.000 -1.450 -0.765) 1.639 5.726 ( 0.000 0.413 0.421) 0.590 5.732 ( 0.000 0.167 -0.309) 0.351 6.624 ( -0.000 -1.205 0.844) 1.471 6.635 ( -0.000 -1.212 -0.493) 1.308 6.714 ( -0.000 0.830 0.384) 0.915 6.723 ( -0.000 0.808 -0.692) 1.064 7.333 ( -1.322 0.716 0.055) 1.505 7.333 ( 1.322 0.721 0.054) 1.507 7.808 ( -0.000 -0.398 0.017) 0.398 7.808 ( -0.000 -0.411 -0.046) 0.413 12.238 ( -0.000 2.294 2.660) 3.512 12.295 ( -0.000 2.428 -4.058) 4.729 12.508 ( 0.000 0.653 2.907) 2.979 12.559 ( 0.000 1.403 -3.011) 3.322 12.784 ( -0.000 -1.166 0.470) 1.257 12.792 ( -0.000 -0.230 -0.474) 0.527 12.900 ( 0.000 -0.044 0.729) 0.730 12.914 ( 0.000 -0.170 -0.830) 0.848 ======================= Grid point 260 (109/171) ======================= q-point: ( 0.70 0.40 0.20) 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 1.10e-04 1.10e-04 3.67e-09 3.67e-09 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.798 ( -4.245 7.873 7.958) 11.972 0.860 ( -4.826 8.540 -6.232) 11.621 0.969 ( -8.987 7.190 3.729) 12.098 1.063 ( -11.903 7.789 -4.277) 14.854 1.302 ( -12.397 10.652 1.316) 16.398 1.383 ( -7.690 6.796 0.380) 10.270 1.463 ( -8.437 1.573 0.595) 8.603 1.516 ( -4.331 1.357 -1.098) 4.669 1.644 ( -3.424 -2.218 0.682) 4.136 1.719 ( -3.996 -1.055 0.214) 4.138 1.740 ( 1.450 -2.109 -1.978) 3.234 1.921 ( -6.165 -2.793 -0.395) 6.780 2.003 ( 0.925 -7.277 -0.127) 7.337 2.130 ( -4.453 3.393 -0.011) 5.598 2.151 ( -4.538 -7.129 -0.155) 8.452 2.213 ( -8.211 3.747 -0.082) 9.026 2.302 ( 2.716 -0.603 0.780) 2.889 2.360 ( -1.347 1.819 0.583) 2.337 2.512 ( 7.253 -2.100 0.287) 7.556 2.532 ( 5.436 1.429 -0.448) 5.639 2.779 ( 7.767 -0.347 -0.207) 7.777 2.853 ( 6.985 -0.209 0.051) 6.988 2.921 ( 7.961 -0.677 0.401) 8.000 2.925 ( 7.709 -0.426 -0.378) 7.730 4.336 ( -5.280 -2.222 -0.004) 5.729 4.353 ( -6.046 -1.960 0.054) 6.356 4.484 ( -2.654 -0.006 0.454) 2.693 4.532 ( -4.315 1.189 -0.478) 4.501 4.849 ( 3.175 -1.267 0.126) 3.421 4.860 ( 2.679 -0.963 -0.195) 2.854 5.676 ( 5.834 0.078 0.100) 5.835 5.681 ( 5.641 0.098 -0.050) 5.642 6.615 ( -0.418 -0.555 0.067) 0.698 6.649 ( -1.554 -0.772 0.023) 1.735 6.712 ( 0.064 0.535 -0.050) 0.541 6.742 ( -0.917 0.476 -0.011) 1.033 7.328 ( -0.228 0.171 -0.036) 0.287 7.362 ( -0.925 0.004 -0.012) 0.925 7.823 ( -1.895 -0.214 0.037) 1.908 7.824 ( -1.877 -0.145 -0.025) 1.883 12.272 ( -1.762 1.522 0.414) 2.364 12.337 ( -2.720 0.929 -1.103) 3.078 12.496 ( 1.992 -1.584 0.662) 2.630 12.568 ( -0.749 2.414 -0.770) 2.643 12.721 ( 2.748 0.613 0.426) 2.848 12.847 ( -1.484 -1.527 -0.280) 2.147 12.909 ( -0.308 0.006 0.323) 0.446 12.916 ( -1.508 0.133 -0.317) 1.546 ======================= Grid point 261 (110/171) ======================= q-point: (-0.20 -0.60 0.20) 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 1.10e-04 1.10e-04 3.67e-09 3.67e-09 Number of triplets: 282 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.950 ( -5.552 3.717 -0.000) 6.681 0.966 ( -3.853 3.728 -0.000) 5.361 1.105 ( -1.486 4.885 -0.000) 5.106 1.156 ( 1.459 7.315 -0.000) 7.459 1.438 ( -1.806 -0.743 0.000) 1.953 1.578 ( -3.640 -0.399 -0.000) 3.662 1.637 ( -2.265 -1.720 0.000) 2.844 1.642 ( -8.135 5.682 -0.000) 9.923 1.686 ( -0.380 -0.809 0.000) 0.893 1.845 ( -4.007 -1.556 0.000) 4.299 1.945 ( -3.468 -1.284 0.000) 3.698 1.968 ( -24.385 5.122 -0.000) 24.917 2.079 ( -9.468 -5.385 0.000) 10.892 2.168 ( 0.406 -3.404 0.000) 3.428 2.242 ( -0.710 -1.855 0.000) 1.986 2.306 ( -11.872 3.151 -0.000) 12.283 2.387 ( 1.685 0.010 0.000) 1.685 2.408 ( -7.086 2.940 -0.000) 7.672 2.423 ( -5.480 2.399 -0.000) 5.982 2.523 ( -6.507 2.236 -0.000) 6.880 2.609 ( 9.630 -0.215 0.000) 9.633 2.652 ( 12.465 -1.542 0.000) 12.560 2.699 ( 12.428 -2.791 0.000) 12.738 2.777 ( 9.471 0.334 0.000) 9.477 4.440 ( -7.083 -1.550 -0.000) 7.250 4.468 ( -7.295 -1.263 -0.000) 7.403 4.548 ( -4.358 -0.432 -0.000) 4.379 4.624 ( -3.927 1.492 -0.000) 4.201 4.761 ( 4.758 -1.548 0.000) 5.003 4.784 ( 4.901 -0.642 0.000) 4.943 5.523 ( 10.877 -0.127 0.000) 10.878 5.529 ( 10.977 -0.102 0.000) 10.978 6.633 ( -1.607 0.014 -0.000) 1.607 6.675 ( -1.318 0.455 -0.000) 1.394 6.721 ( -0.989 -0.410 0.000) 1.071 6.757 ( -0.464 0.124 -0.000) 0.481 7.339 ( -1.038 -0.425 0.000) 1.121 7.365 ( 0.091 -0.570 0.000) 0.577 7.865 ( -2.549 0.108 -0.000) 2.551 7.867 ( -2.606 0.237 -0.000) 2.616 12.326 ( -2.982 -0.026 -0.000) 2.982 12.372 ( -1.192 -0.470 0.000) 1.282 12.449 ( 1.037 -2.218 0.000) 2.449 12.601 ( -0.289 3.807 -0.000) 3.818 12.684 ( 2.291 0.619 0.000) 2.373 12.832 ( 0.721 -1.958 0.000) 2.087 12.908 ( 0.213 0.139 -0.000) 0.254 12.946 ( -0.901 -0.217 -0.000) 0.926 ======================= Grid point 267 (111/171) ======================= q-point: ( 0.30 0.50 0.20) 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 1.10e-04 1.10e-04 3.67e-09 3.67e-09 Number of triplets: 275 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.115 ( 12.859 0.000 3.133) 13.236 1.227 ( 8.700 -0.000 -3.080) 9.229 1.320 ( 5.167 0.000 0.173) 5.170 1.356 ( 6.240 -0.000 -1.781) 6.490 1.513 ( 2.272 0.000 0.600) 2.350 1.513 ( -1.616 -0.000 -0.061) 1.617 1.625 ( -2.328 0.000 6.072) 6.503 1.724 ( -2.394 0.000 3.131) 3.941 1.784 ( -7.957 0.000 0.662) 7.985 1.795 ( -2.168 -0.000 -0.137) 2.173 1.864 ( -4.687 -0.000 -0.801) 4.755 1.918 ( 2.345 -0.000 -4.954) 5.481 1.984 ( -4.115 -0.000 -1.252) 4.301 2.020 ( -11.963 -0.000 -2.257) 12.174 2.121 ( -2.320 0.000 2.404) 3.341 2.156 ( -5.040 0.000 1.765) 5.340 2.321 ( -0.037 -0.000 -1.365) 1.365 2.333 ( -3.957 -0.000 -0.288) 3.968 2.497 ( -3.322 0.000 0.439) 3.351 2.514 ( -1.909 -0.000 -0.129) 1.913 2.794 ( 11.531 0.000 1.432) 11.620 2.827 ( 10.057 -0.000 -0.215) 10.059 3.339 ( 24.666 0.000 0.786) 24.678 3.373 ( 23.549 -0.000 -0.898) 23.566 4.537 ( -5.686 0.000 0.469) 5.705 4.571 ( -4.957 -0.000 -1.317) 5.129 4.663 ( 2.540 0.000 0.383) 2.568 4.676 ( 2.347 -0.000 -0.253) 2.360 4.724 ( 1.323 0.000 0.962) 1.636 4.744 ( 2.814 -0.000 -0.044) 2.814 5.014 ( -14.748 0.000 0.030) 14.748 5.015 ( -14.466 0.000 -0.036) 14.466 6.667 ( 0.982 0.000 0.335) 1.038 6.680 ( 1.374 -0.000 -0.343) 1.417 6.756 ( 0.184 0.000 1.320) 1.333 6.807 ( 0.180 -0.000 -1.303) 1.316 7.366 ( 0.162 0.000 0.975) 0.989 7.403 ( -0.556 -0.000 -0.931) 1.084 7.931 ( 1.652 0.000 0.082) 1.654 7.933 ( 1.299 -0.000 -0.044) 1.300 12.389 ( 0.369 0.000 2.218) 2.249 12.434 ( -1.754 0.000 1.103) 2.072 12.490 ( 0.967 -0.000 -2.825) 2.985 12.494 ( -0.125 -0.000 -1.941) 1.945 12.751 ( -0.785 0.000 3.086) 3.184 12.817 ( -1.114 0.000 0.025) 1.114 12.877 ( 0.046 -0.000 -0.281) 0.285 12.888 ( -0.049 -0.000 -0.375) 0.379 ======================= Grid point 271 (112/171) ======================= q-point: (-0.30 -0.50 0.20) 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 1.10e-04 1.10e-04 3.67e-09 3.67e-09 Number of triplets: 155 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.692 ( -0.000 13.390 -4.402) 14.095 0.692 ( -0.000 13.390 4.402) 14.095 0.766 ( -0.000 9.069 -10.594) 13.945 0.766 ( 0.000 9.069 10.594) 13.945 1.193 ( -0.000 9.584 -11.982) 15.343 1.193 ( 0.000 9.584 11.982) 15.343 1.441 ( -0.000 1.005 -1.945) 2.189 1.441 ( 0.000 1.005 1.945) 2.189 1.660 ( -0.000 -1.780 -2.644) 3.188 1.660 ( 0.000 -1.780 2.644) 3.188 1.836 ( 0.000 -3.895 -0.004) 3.895 1.836 ( 0.000 -3.895 0.004) 3.895 2.071 ( -0.000 1.941 -1.665) 2.557 2.071 ( 0.000 1.941 1.665) 2.557 2.137 ( 0.000 -5.801 -0.517) 5.824 2.137 ( 0.000 -5.801 0.517) 5.824 2.332 ( -0.000 0.571 -0.283) 0.637 2.332 ( 0.000 0.571 0.283) 0.637 2.600 ( -0.000 -0.158 -3.460) 3.464 2.600 ( 0.000 -0.158 3.460) 3.464 2.884 ( 0.000 -0.461 -0.061) 0.465 2.884 ( 0.000 -0.461 0.061) 0.465 3.001 ( -0.000 0.190 -0.979) 0.997 3.001 ( 0.000 0.190 0.979) 0.997 4.305 ( 0.000 -2.293 -0.080) 2.295 4.305 ( 0.000 -2.293 0.080) 2.295 4.468 ( -0.000 0.698 -2.505) 2.600 4.468 ( 0.000 0.698 2.505) 2.600 4.890 ( -0.000 -1.244 -0.743) 1.449 4.890 ( 0.000 -1.244 0.743) 1.449 5.729 ( -0.000 0.314 -0.411) 0.517 5.729 ( 0.000 0.314 0.411) 0.517 6.630 ( -0.000 -1.235 -0.559) 1.356 6.630 ( 0.000 -1.235 0.559) 1.356 6.718 ( -0.000 0.833 -0.441) 0.943 6.718 ( 0.000 0.833 0.441) 0.943 7.334 ( -0.000 0.730 -0.000) 0.730 7.334 ( -0.000 0.730 0.000) 0.730 7.808 ( 0.000 -0.403 -0.029) 0.404 7.808 ( 0.000 -0.403 0.029) 0.404 12.264 ( -0.000 2.414 -3.276) 4.070 12.264 ( 0.000 2.414 3.276) 4.070 12.534 ( -0.000 0.973 -3.053) 3.205 12.534 ( 0.000 0.973 3.053) 3.205 12.788 ( 0.000 -0.607 -0.140) 0.623 12.788 ( 0.000 -0.607 0.140) 0.623 12.907 ( -0.000 -0.083 -0.813) 0.817 12.907 ( 0.000 -0.083 0.813) 0.817 ======================= Grid point 278 (113/171) ======================= q-point: ( 0.30 0.60 0.20) 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 1.10e-04 1.10e-04 3.67e-09 3.67e-09 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.234 ( -3.687 -0.138 0.352) 3.706 1.276 ( -5.132 -0.321 -1.286) 5.301 1.337 ( -0.925 1.619 2.250) 2.922 1.364 ( -1.963 -1.279 3.318) 4.062 1.527 ( 1.044 1.494 -3.864) 4.272 1.561 ( 2.053 -2.927 -2.953) 4.637 1.608 ( -1.316 0.338 2.767) 3.083 1.692 ( 3.563 0.001 -2.365) 4.276 1.754 ( -0.724 0.471 3.683) 3.783 1.821 ( 3.332 0.400 0.242) 3.365 1.846 ( -0.375 1.347 -0.570) 1.510 1.863 ( -0.161 0.361 -2.240) 2.275 1.893 ( 5.055 -0.570 3.143) 5.980 1.995 ( 3.897 0.055 -2.696) 4.739 2.076 ( -2.452 2.174 2.694) 4.242 2.134 ( -0.743 -4.273 2.693) 5.105 2.286 ( 0.318 2.492 -1.161) 2.767 2.337 ( 0.748 -3.044 -2.122) 3.785 2.441 ( -2.337 2.162 0.745) 3.270 2.484 ( -1.608 -0.191 -0.885) 1.846 2.931 ( 2.236 0.125 0.582) 2.314 2.939 ( 1.715 -0.263 0.274) 1.756 3.595 ( 0.050 -0.001 0.455) 0.457 3.608 ( -0.460 0.026 -0.473) 0.660 4.472 ( -0.897 0.274 1.112) 1.454 4.511 ( -0.446 0.049 -1.428) 1.496 4.682 ( -0.578 0.029 0.213) 0.617 4.692 ( -0.527 -0.352 -0.177) 0.658 4.739 ( -0.348 0.075 1.349) 1.395 4.771 ( 0.355 0.023 -0.977) 1.039 4.854 ( 0.030 0.056 0.243) 0.251 4.860 ( 0.202 -0.084 -0.113) 0.246 6.687 ( 0.897 -0.132 0.513) 1.041 6.701 ( 0.992 -0.083 -0.510) 1.118 6.758 ( -0.583 0.072 1.290) 1.417 6.794 ( -0.873 0.159 -1.317) 1.588 7.368 ( -0.276 0.123 0.668) 0.733 7.388 ( -0.705 -0.134 -0.594) 0.932 7.948 ( 0.214 0.007 0.114) 0.243 7.950 ( 0.380 -0.006 -0.055) 0.384 12.398 ( -0.494 0.602 1.588) 1.768 12.416 ( -1.108 -1.565 1.837) 2.655 12.474 ( -0.210 1.253 -1.732) 2.148 12.505 ( 1.077 -1.117 -2.709) 3.122 12.736 ( -0.583 3.767 2.295) 4.450 12.810 ( -1.043 -2.798 0.458) 3.021 12.885 ( 0.877 0.301 -0.126) 0.936 12.891 ( 0.442 -0.228 -0.216) 0.542 ======================= Grid point 279 (114/171) ======================= q-point: ( 0.40 0.60 0.20) 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 1.10e-04 1.10e-04 3.67e-09 3.67e-09 Number of triplets: 282 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.142 ( 10.694 -0.000 3.290) 11.188 1.199 ( 8.132 0.000 -3.451) 8.833 1.326 ( 8.033 -0.000 0.961) 8.090 1.344 ( 8.306 0.000 -1.220) 8.395 1.513 ( -1.817 0.000 0.006) 1.817 1.514 ( 0.206 -0.000 -0.061) 0.215 1.676 ( -5.182 0.000 5.640) 7.659 1.735 ( -8.225 -0.000 -0.614) 8.248 1.795 ( -1.665 0.000 1.675) 2.361 1.797 ( 0.631 -0.000 0.602) 0.872 1.858 ( -3.174 -0.000 -0.566) 3.224 1.878 ( 3.044 0.000 -4.041) 5.059 1.978 ( -7.809 -0.000 -0.088) 7.809 2.000 ( -11.466 -0.000 -2.323) 11.699 2.141 ( -1.853 -0.000 2.338) 2.984 2.164 ( -3.456 0.000 0.185) 3.461 2.314 ( -1.457 -0.000 -0.165) 1.466 2.327 ( -3.677 0.000 -1.037) 3.820 2.502 ( -3.065 -0.000 0.674) 3.139 2.512 ( -2.394 0.000 -0.413) 2.430 2.806 ( 11.082 0.000 1.367) 11.166 2.823 ( 10.322 -0.000 -0.618) 10.340 3.347 ( 24.455 -0.000 0.973) 24.474 3.364 ( 23.867 0.000 -1.042) 23.889 4.542 ( -5.395 0.000 0.797) 5.454 4.560 ( -4.999 -0.000 -1.298) 5.165 4.666 ( 2.485 0.000 0.415) 2.519 4.673 ( 2.384 -0.000 -0.344) 2.408 4.732 ( 1.566 -0.000 0.867) 1.790 4.742 ( 2.337 0.000 -0.313) 2.358 5.014 ( -14.675 0.000 0.036) 14.675 5.015 ( -14.528 -0.000 -0.040) 14.528 6.670 ( 1.066 0.000 0.399) 1.139 6.677 ( 1.269 0.000 -0.406) 1.332 6.768 ( 0.178 -0.000 1.548) 1.559 6.795 ( 0.173 0.000 -1.536) 1.546 7.375 ( 0.010 0.000 1.132) 1.132 7.394 ( -0.367 -0.000 -1.105) 1.164 7.932 ( 1.579 -0.000 0.085) 1.581 7.933 ( 1.394 0.000 -0.062) 1.395 12.410 ( 0.351 0.000 2.674) 2.697 12.443 ( -1.670 -0.000 0.644) 1.790 12.467 ( 1.190 -0.000 -2.299) 2.589 12.478 ( -0.313 0.000 -1.823) 1.850 12.777 ( -0.685 0.000 2.877) 2.957 12.813 ( -0.903 -0.000 -1.125) 1.442 12.877 ( 0.064 0.000 0.185) 0.196 12.884 ( -0.013 -0.000 -0.508) 0.508 ======================= Grid point 289 (115/171) ======================= q-point: ( 0.30 -0.30 0.20) 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 1.10e-04 1.10e-04 3.67e-09 3.67e-09 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.117 ( -7.135 -1.327 1.703) 7.454 1.155 ( -6.678 -0.858 -0.770) 6.777 1.246 ( -6.629 1.636 -0.737) 6.867 1.311 ( -5.424 -2.228 1.156) 5.976 1.526 ( -0.359 1.323 2.289) 2.668 1.594 ( 1.199 0.357 -0.106) 1.255 1.622 ( 0.877 -0.622 -0.996) 1.466 1.673 ( -1.466 0.563 -4.885) 5.131 1.761 ( 1.552 0.611 -0.442) 1.725 1.808 ( -0.338 -1.408 -0.515) 1.537 1.937 ( 7.950 4.003 0.342) 8.908 2.001 ( 3.102 0.839 1.178) 3.423 2.045 ( 5.198 -0.382 0.694) 5.258 2.067 ( 11.143 -0.568 0.571) 11.172 2.119 ( 10.489 1.354 4.581) 11.526 2.216 ( 4.666 -4.335 1.299) 6.500 2.292 ( 2.829 1.319 -2.003) 3.709 2.356 ( -0.281 0.175 -1.926) 1.954 2.406 ( 1.124 -0.001 -0.317) 1.168 2.452 ( -1.360 -0.175 -0.673) 1.528 2.866 ( -8.261 1.550 0.258) 8.409 2.889 ( -7.314 0.159 0.446) 7.330 3.346 ( -24.220 0.237 -0.050) 24.222 3.354 ( -24.418 -0.258 -0.142) 24.420 4.516 ( 4.800 0.071 1.216) 4.952 4.545 ( 4.298 -0.089 -1.205) 4.465 4.647 ( -3.265 -0.354 0.039) 3.285 4.661 ( -3.367 -0.905 -0.069) 3.487 4.722 ( -2.225 0.122 1.777) 2.850 4.752 ( -1.867 0.240 -1.657) 2.508 5.012 ( 14.484 -0.008 0.241) 14.486 5.016 ( 14.266 -0.035 -0.100) 14.266 6.701 ( 0.263 0.282 0.469) 0.607 6.708 ( -0.090 0.257 -0.042) 0.275 6.744 ( -1.060 0.383 0.085) 1.130 6.770 ( -1.159 -0.716 -0.522) 1.459 7.358 ( -0.666 0.332 0.057) 0.747 7.378 ( -0.617 -0.775 0.007) 0.990 7.940 ( -1.041 0.111 0.162) 1.059 7.943 ( -1.036 0.142 -0.140) 1.055 12.387 ( -0.849 -0.339 1.067) 1.405 12.412 ( -1.577 -1.088 0.030) 1.917 12.467 ( 0.616 0.267 1.327) 1.488 12.521 ( 1.108 -0.879 -3.076) 3.385 12.700 ( -0.527 4.569 0.989) 4.704 12.822 ( -0.416 -3.032 0.754) 3.152 12.900 ( 0.973 0.328 0.135) 1.035 12.905 ( 1.080 0.101 -0.383) 1.151 ======================= Grid point 290 (116/171) ======================= q-point: ( 0.40 0.70 0.20) 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 1.10e-04 1.10e-04 3.67e-09 3.67e-09 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.241 ( -3.120 0.156 1.115) 3.317 1.259 ( -2.815 -0.440 -2.022) 3.494 1.358 ( -3.615 2.123 1.693) 4.521 1.391 ( -3.468 -2.100 2.351) 4.686 1.498 ( 2.173 2.216 -2.465) 3.963 1.540 ( 2.693 -3.412 -1.512) 4.602 1.632 ( -0.120 1.010 2.595) 2.787 1.669 ( 0.165 -0.731 -2.515) 2.624 1.783 ( -1.608 1.320 2.663) 3.379 1.819 ( 0.056 -0.824 -0.922) 1.237 1.837 ( -0.191 1.499 -0.685) 1.659 1.849 ( 2.638 0.145 -0.962) 2.812 1.928 ( 6.640 0.022 4.348) 7.937 1.967 ( 5.625 -0.361 -3.772) 6.783 2.093 ( -1.685 2.962 1.164) 3.601 2.151 ( -1.299 -4.420 1.122) 4.741 2.279 ( 0.060 2.317 -0.420) 2.356 2.323 ( 0.411 -3.049 -1.084) 3.262 2.447 ( -2.175 2.735 0.416) 3.519 2.478 ( -1.915 -0.852 -0.443) 2.142 2.935 ( 1.928 0.284 0.259) 1.966 2.941 ( 2.045 -0.352 0.066) 2.076 3.599 ( -0.177 0.081 0.465) 0.504 3.604 ( -0.273 -0.057 -0.472) 0.549 4.482 ( -0.618 0.662 1.021) 1.364 4.500 ( -0.628 -0.373 -1.140) 1.354 4.684 ( -0.570 0.251 0.111) 0.633 4.691 ( -0.540 -0.548 -0.097) 0.776 4.750 ( -0.062 0.294 1.164) 1.202 4.763 ( -0.043 -0.181 -1.020) 1.037 4.856 ( 0.145 0.152 0.129) 0.247 4.859 ( 0.159 -0.168 -0.083) 0.246 6.692 ( 0.965 -0.084 0.547) 1.113 6.697 ( 0.968 -0.119 -0.548) 1.119 6.769 ( -0.753 0.231 1.340) 1.554 6.783 ( -0.749 -0.013 -1.348) 1.542 7.373 ( -0.483 0.366 0.502) 0.786 7.383 ( -0.492 -0.370 -0.474) 0.777 7.948 ( 0.284 0.034 0.084) 0.298 7.950 ( 0.313 -0.028 -0.062) 0.320 12.409 ( -0.887 0.838 0.826) 1.473 12.430 ( -1.298 -1.812 1.031) 2.456 12.464 ( 0.600 1.235 -0.470) 1.451 12.485 ( 0.899 -1.030 -1.737) 2.211 12.750 ( -0.786 4.365 0.944) 4.535 12.812 ( -0.859 -3.374 0.071) 3.482 12.884 ( 0.757 0.346 0.025) 0.833 12.889 ( 0.606 -0.238 -0.157) 0.670 ======================= Grid point 291 (117/171) ======================= q-point: ( 0.50 0.70 0.20) 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 1.10e-04 1.10e-04 3.67e-09 3.67e-09 Number of triplets: 155 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.170 ( 8.905 -0.002 0.000) 8.905 1.170 ( 8.905 0.002 -0.000) 8.905 1.335 ( 9.151 -0.477 0.000) 9.163 1.335 ( 9.151 0.477 0.000) 9.163 1.513 ( -1.271 -2.187 0.000) 2.530 1.513 ( -1.271 2.187 -0.000) 2.530 1.716 ( -8.865 -0.013 0.000) 8.865 1.716 ( -8.865 0.013 -0.000) 8.865 1.802 ( 2.483 -0.533 0.000) 2.540 1.802 ( 2.483 0.533 0.000) 2.540 1.857 ( -0.319 -0.124 0.000) 0.342 1.857 ( -0.319 0.124 -0.000) 0.342 1.984 ( -10.347 -0.156 0.000) 10.348 1.984 ( -10.347 0.156 -0.000) 10.348 2.158 ( -2.159 -2.611 0.000) 3.388 2.158 ( -2.159 2.611 -0.000) 3.388 2.318 ( -2.894 -1.007 0.000) 3.064 2.318 ( -2.894 1.007 -0.000) 3.064 2.508 ( -2.774 -1.171 0.000) 3.011 2.508 ( -2.774 1.171 -0.000) 3.011 2.816 ( 10.667 -0.031 0.000) 10.667 2.816 ( 10.667 0.031 0.000) 10.667 3.355 ( 24.181 -0.003 0.000) 24.181 3.355 ( 24.181 0.003 0.000) 24.181 4.550 ( -5.154 -0.472 0.000) 5.175 4.550 ( -5.154 0.472 -0.000) 5.175 4.670 ( 2.432 -0.334 0.000) 2.455 4.670 ( 2.432 0.334 0.000) 2.455 4.738 ( 1.910 -0.635 0.000) 2.013 4.738 ( 1.910 0.635 -0.000) 2.013 5.015 ( -14.600 -0.100 -0.000) 14.600 5.015 ( -14.600 0.100 -0.000) 14.600 6.674 ( 1.164 -0.085 0.000) 1.167 6.674 ( 1.164 0.085 -0.000) 1.167 6.782 ( 0.173 -0.002 0.000) 0.173 6.782 ( 0.173 0.002 -0.000) 0.173 7.384 ( -0.172 -0.048 0.000) 0.179 7.384 ( -0.172 0.048 -0.000) 0.179 7.932 ( 1.490 -0.022 0.000) 1.490 7.932 ( 1.490 0.022 0.000) 1.490 12.433 ( -0.068 -0.548 0.000) 0.552 12.433 ( -0.068 0.548 -0.000) 0.552 12.464 ( -0.130 -0.373 0.000) 0.395 12.464 ( -0.130 0.373 -0.000) 0.395 12.799 ( -0.726 -3.361 0.000) 3.439 12.799 ( -0.726 3.361 -0.000) 3.439 12.880 ( 0.025 -0.081 0.000) 0.085 12.880 ( 0.025 0.081 -0.000) 0.085 ======================= Grid point 300 (118/171) ======================= q-point: ( 0.30 -0.20 0.20) 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 1.10e-04 1.10e-04 3.67e-09 3.67e-09 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.011 ( -7.840 5.638 -0.085) 9.657 1.034 ( -3.657 2.011 -0.429) 4.196 1.146 ( -2.172 -1.253 -0.281) 2.523 1.261 ( -2.343 -3.367 0.935) 4.207 1.481 ( -3.233 2.321 0.931) 4.087 1.562 ( -3.514 -0.438 -2.089) 4.111 1.641 ( 0.569 1.444 0.707) 1.705 1.664 ( 1.727 0.068 -0.181) 1.738 1.802 ( 2.590 -0.707 -0.838) 2.813 1.826 ( 0.640 -2.073 0.033) 2.170 1.972 ( -1.149 0.133 1.214) 1.676 2.008 ( -0.290 -0.807 -1.065) 1.367 2.187 ( 8.033 1.005 1.261) 8.193 2.240 ( 0.204 3.498 1.701) 3.895 2.258 ( 0.086 2.681 -1.638) 3.143 2.332 ( 3.119 -0.884 0.773) 3.333 2.364 ( 10.034 -3.552 0.152) 10.645 2.429 ( 11.897 0.935 -0.802) 11.961 2.479 ( 7.220 -1.434 1.584) 7.530 2.495 ( 7.564 -0.851 -2.279) 7.946 2.638 ( -14.539 3.172 0.202) 14.882 2.707 ( -11.130 0.668 0.306) 11.154 2.834 ( -28.955 0.393 0.229) 28.959 2.839 ( -28.905 -0.044 -0.565) 28.910 4.554 ( -5.291 -0.229 0.060) 5.296 4.577 ( -5.173 -0.812 -0.020) 5.237 4.635 ( 4.833 -0.368 0.713) 4.899 4.652 ( 3.513 -0.638 -0.518) 3.608 4.673 ( -2.448 0.030 1.172) 2.714 4.696 ( -2.137 -0.360 -1.367) 2.562 5.291 ( 14.740 -0.051 0.039) 14.740 5.292 ( 14.893 -0.111 0.027) 14.893 6.685 ( -1.835 0.695 0.686) 2.078 6.691 ( -1.195 0.759 -0.510) 1.505 6.729 ( -0.099 0.193 -0.162) 0.271 6.761 ( -0.804 -1.236 -0.017) 1.474 7.344 ( -0.607 0.215 -0.069) 0.648 7.376 ( -0.523 -1.227 0.118) 1.339 7.909 ( -2.185 0.322 0.018) 2.209 7.912 ( -2.125 0.163 -0.034) 2.132 12.373 ( -2.352 -0.405 0.374) 2.416 12.390 ( -0.483 -1.431 -0.282) 1.537 12.497 ( 0.868 -0.803 3.484) 3.679 12.529 ( 0.807 -0.632 -3.798) 3.934 12.665 ( 0.273 4.522 0.242) 4.537 12.845 ( 0.267 -2.734 0.458) 2.785 12.910 ( 0.255 0.408 0.212) 0.526 12.923 ( 1.114 0.093 -0.409) 1.190 ======================= Grid point 301 (119/171) ======================= q-point: ( 0.40 -0.20 0.20) 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 1.10e-04 1.10e-04 3.67e-09 3.67e-09 Number of triplets: 282 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.126 ( -6.930 -0.780 -0.000) 6.974 1.150 ( -7.029 -1.586 -0.000) 7.205 1.243 ( -6.857 2.020 -0.000) 7.148 1.316 ( -5.477 -2.445 0.000) 5.998 1.537 ( 0.897 1.834 -0.000) 2.042 1.594 ( -0.576 -1.243 0.000) 1.371 1.624 ( 0.897 1.436 -0.000) 1.693 1.642 ( 0.224 -0.213 0.000) 0.309 1.761 ( 0.496 0.719 -0.000) 0.874 1.805 ( -0.131 -1.606 0.000) 1.612 1.939 ( 8.153 3.987 -0.000) 9.076 2.006 ( 3.159 0.835 0.000) 3.267 2.048 ( 4.123 -0.630 0.000) 4.171 2.069 ( 12.142 -0.796 0.000) 12.168 2.142 ( 10.921 2.095 0.000) 11.120 2.219 ( 5.040 -3.854 0.000) 6.345 2.285 ( 2.061 0.605 -0.000) 2.148 2.346 ( 0.063 0.174 -0.000) 0.185 2.405 ( 0.465 0.258 -0.000) 0.532 2.449 ( -1.429 -0.444 0.000) 1.497 2.868 ( -8.224 1.628 -0.000) 8.383 2.891 ( -7.265 0.177 -0.000) 7.268 3.346 ( -24.300 0.287 -0.000) 24.302 3.353 ( -24.406 -0.327 -0.000) 24.408 4.523 ( 4.868 0.413 0.000) 4.885 4.538 ( 4.285 -0.477 0.000) 4.311 4.647 ( -3.274 -0.243 -0.000) 3.283 4.661 ( -3.385 -0.976 0.000) 3.523 4.736 ( -1.733 0.299 -0.000) 1.759 4.738 ( -2.377 0.081 -0.000) 2.378 5.014 ( 14.459 0.041 0.000) 14.459 5.016 ( 14.294 -0.077 0.000) 14.295 6.704 ( 0.052 0.458 -0.000) 0.461 6.707 ( 0.337 0.074 0.000) 0.345 6.745 ( -1.500 0.665 -0.000) 1.641 6.768 ( -0.931 -0.992 0.000) 1.360 7.359 ( -0.733 0.404 -0.000) 0.837 7.378 ( -0.545 -0.842 0.000) 1.003 7.942 ( -1.045 0.129 0.000) 1.053 7.942 ( -1.040 0.128 -0.000) 1.047 12.393 ( -0.746 -0.297 0.000) 0.803 12.410 ( -1.906 -0.736 0.000) 2.043 12.478 ( 1.201 -0.177 0.000) 1.214 12.503 ( 0.779 -0.786 0.000) 1.106 12.704 ( -0.643 4.619 -0.000) 4.663 12.825 ( -0.388 -3.106 0.000) 3.130 12.900 ( 1.314 0.389 -0.000) 1.370 12.903 ( 0.756 0.114 0.000) 0.764 ======================= Grid point 310 (120/171) ======================= q-point: ( 0.30 -0.10 0.20) 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 1.10e-04 1.10e-04 3.67e-09 3.67e-09 Number of triplets: 280 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.795 ( -8.368 10.423 -0.000) 13.366 0.936 ( -3.590 8.509 -0.000) 9.235 1.135 ( -0.110 3.421 -0.000) 3.423 1.283 ( 0.841 -4.948 0.000) 5.019 1.401 ( -3.458 2.917 -0.000) 4.524 1.472 ( -6.425 0.596 -0.000) 6.453 1.648 ( 1.804 1.663 -0.000) 2.454 1.688 ( -0.128 -0.023 -0.000) 0.130 1.779 ( -9.468 -0.113 -0.000) 9.469 1.799 ( -11.851 2.369 -0.000) 12.085 1.919 ( -1.335 0.280 -0.000) 1.364 2.004 ( -7.032 -6.442 0.000) 9.536 2.095 ( -7.211 1.946 -0.000) 7.469 2.106 ( -13.552 -2.808 -0.000) 13.840 2.272 ( -2.855 -2.193 0.000) 3.600 2.329 ( -2.552 -1.670 0.000) 3.050 2.352 ( -7.169 3.659 -0.000) 8.049 2.428 ( -9.359 1.848 -0.000) 9.539 2.444 ( -5.553 3.743 -0.000) 6.696 2.493 ( -3.929 1.492 -0.000) 4.202 2.648 ( 10.262 -1.777 0.000) 10.415 2.667 ( 11.990 -0.336 0.000) 11.994 2.697 ( 10.907 0.537 0.000) 10.920 2.718 ( 12.980 -1.150 0.000) 13.031 4.443 ( -7.022 -1.126 -0.000) 7.112 4.464 ( -7.508 -1.497 -0.000) 7.656 4.568 ( -5.717 1.032 -0.000) 5.810 4.615 ( -3.749 -0.249 -0.000) 3.757 4.760 ( 5.643 -0.621 0.000) 5.677 4.779 ( 5.369 -1.481 0.000) 5.569 5.525 ( 10.718 0.066 0.000) 10.718 5.529 ( 10.836 -0.215 0.000) 10.838 6.642 ( -2.169 0.441 -0.000) 2.213 6.665 ( -1.211 0.107 -0.000) 1.215 6.725 ( -0.140 0.468 -0.000) 0.489 6.753 ( -0.839 -0.554 0.000) 1.005 7.335 ( -0.226 0.200 -0.000) 0.301 7.376 ( -0.728 -1.444 0.000) 1.617 7.862 ( -2.564 0.273 -0.000) 2.578 7.867 ( -2.630 0.019 -0.000) 2.630 12.324 ( -3.339 -0.378 -0.000) 3.360 12.402 ( 0.029 -2.259 0.000) 2.259 12.496 ( -1.321 1.121 -0.000) 1.732 12.568 ( 3.081 -2.127 0.000) 3.743 12.647 ( 1.143 3.980 -0.000) 4.141 12.872 ( 0.332 -2.465 0.000) 2.487 12.905 ( -0.486 0.394 -0.000) 0.626 12.934 ( -0.100 -0.329 0.000) 0.343 ======================= Grid point 320 (121/171) ======================= q-point: ( 0.30 0.00 0.30) 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 1.10e-04 1.10e-04 3.67e-09 3.67e-09 Number of triplets: 165 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.581 ( -0.000 14.022 -0.000) 14.022 0.786 ( -0.000 14.838 -0.000) 14.838 0.998 ( -0.000 10.647 -0.000) 10.647 1.117 ( -0.000 20.049 -0.000) 20.049 1.249 ( -0.000 12.212 -0.000) 12.212 1.306 ( 0.000 -10.375 0.000) 10.375 1.344 ( 0.000 -2.815 0.000) 2.815 1.395 ( -0.000 1.429 -0.000) 1.429 1.701 ( -0.000 0.731 -0.000) 0.731 1.765 ( -0.000 0.530 -0.000) 0.530 1.787 ( 0.000 -5.597 0.000) 5.597 1.902 ( 0.000 -5.933 0.000) 5.933 1.960 ( 0.000 -3.561 0.000) 3.561 2.072 ( -0.000 2.304 -0.000) 2.304 2.140 ( 0.000 -5.619 0.000) 5.619 2.163 ( -0.000 0.524 -0.000) 0.524 2.230 ( -0.000 3.556 -0.000) 3.556 2.267 ( -0.000 0.434 -0.000) 0.434 2.517 ( 0.000 -0.223 0.000) 0.223 2.680 ( 0.000 -5.059 0.000) 5.059 2.867 ( -0.000 0.466 -0.000) 0.466 2.887 ( 0.000 -0.132 0.000) 0.132 2.986 ( -0.000 0.606 -0.000) 0.606 3.038 ( 0.000 -1.048 0.000) 1.048 4.267 ( 0.000 -2.261 0.000) 2.261 4.267 ( 0.000 -2.252 0.000) 2.252 4.426 ( -0.000 1.705 -0.000) 1.705 4.527 ( 0.000 -0.967 0.000) 0.967 4.873 ( 0.000 -0.545 0.000) 0.545 4.886 ( 0.000 -1.566 0.000) 1.566 5.724 ( -0.000 0.329 -0.000) 0.329 5.729 ( 0.000 -0.166 0.000) 0.166 6.595 ( 0.000 -0.105 0.000) 0.105 6.626 ( 0.000 -1.127 0.000) 1.127 6.721 ( -0.000 0.873 -0.000) 0.873 6.747 ( -0.000 0.061 -0.000) 0.061 7.336 ( -0.000 0.604 -0.000) 0.604 7.343 ( -0.000 0.613 -0.000) 0.613 7.802 ( 0.000 -0.399 0.000) 0.399 7.803 ( 0.000 -0.442 0.000) 0.442 12.227 ( -0.000 2.480 -0.000) 2.480 12.403 ( 0.000 -2.433 0.000) 2.433 12.466 ( -0.000 2.748 -0.000) 2.748 12.675 ( -0.000 3.586 -0.000) 3.586 12.712 ( 0.000 -4.397 0.000) 4.397 12.798 ( 0.000 -0.522 0.000) 0.522 12.886 ( -0.000 0.022 -0.000) 0.022 12.921 ( 0.000 -0.813 0.000) 0.813 ======================= Grid point 321 (122/171) ======================= q-point: ( 0.40 0.00 0.30) 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 1.10e-04 1.10e-04 3.67e-09 3.67e-09 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.755 ( -5.736 12.076 1.044) 13.410 0.978 ( -3.782 13.314 1.080) 13.883 1.184 ( -1.867 8.439 -2.193) 8.917 1.232 ( -1.936 -6.574 -0.533) 6.874 1.353 ( -6.528 6.046 -0.922) 8.945 1.374 ( -5.992 2.142 2.382) 6.794 1.419 ( -16.950 3.294 1.650) 17.346 1.515 ( -14.909 3.417 0.622) 15.308 1.690 ( 1.256 -0.397 -2.775) 3.072 1.709 ( 1.668 0.333 1.518) 2.280 1.843 ( -6.169 -6.614 -1.540) 9.174 1.874 ( -2.473 -4.849 -0.006) 5.443 1.919 ( 1.089 -1.870 -0.356) 2.193 2.069 ( 0.738 -3.821 0.811) 3.975 2.168 ( -6.908 1.869 -0.371) 7.166 2.258 ( -6.341 0.010 -0.954) 6.412 2.278 ( -3.783 1.824 1.877) 4.600 2.286 ( -1.892 1.125 0.540) 2.266 2.499 ( 1.518 -0.040 -0.210) 1.533 2.555 ( 7.554 -1.285 -0.193) 7.665 2.807 ( 6.756 0.132 -0.712) 6.795 2.835 ( 6.231 -0.861 0.418) 6.304 2.899 ( 9.330 0.391 0.210) 9.341 2.930 ( 10.073 -0.984 -0.154) 10.122 4.309 ( -5.868 -1.568 -0.111) 6.075 4.318 ( -6.500 -1.798 0.144) 6.746 4.482 ( -4.242 1.519 0.020) 4.506 4.547 ( -2.977 -0.937 0.027) 3.121 4.838 ( 3.280 -0.523 -0.126) 3.324 4.847 ( 3.053 -1.192 0.045) 3.278 5.675 ( 5.623 0.130 -0.010) 5.625 5.677 ( 5.596 -0.131 0.074) 5.598 6.609 ( -1.499 0.131 -0.018) 1.504 6.634 ( -1.555 -0.908 0.052) 1.802 6.728 ( -0.027 0.722 -0.105) 0.730 6.746 ( 0.003 0.037 0.043) 0.056 7.337 ( 0.224 0.433 -0.115) 0.501 7.354 ( -0.643 -0.363 0.120) 0.748 7.819 ( -2.065 -0.127 -0.000) 2.069 7.821 ( -2.131 -0.225 0.022) 2.143 12.271 ( -2.416 1.612 0.216) 2.913 12.383 ( -0.063 -2.715 -0.108) 2.718 12.492 ( -0.365 2.590 -0.631) 2.690 12.621 ( 3.941 -2.291 -0.213) 4.564 12.695 ( 0.847 3.528 0.607) 3.679 12.836 ( -2.253 -2.793 -0.171) 3.593 12.895 ( -0.763 0.252 0.152) 0.818 12.919 ( -0.617 -0.630 -0.013) 0.882 ======================= Grid point 322 (123/171) ======================= q-point: ( 0.50 0.00 0.30) 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 1.10e-04 1.10e-04 3.67e-09 3.67e-09 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.945 ( -5.980 9.035 0.339) 10.840 1.066 ( 2.008 7.185 1.782) 7.670 1.153 ( 1.414 -1.746 -3.031) 3.773 1.208 ( 1.726 -3.314 2.289) 4.381 1.435 ( -3.217 2.338 -1.683) 4.318 1.506 ( -3.927 1.143 4.410) 6.015 1.658 ( 0.542 -0.294 -2.661) 2.731 1.676 ( 1.018 0.226 -0.669) 1.238 1.799 ( -7.470 2.363 -0.086) 7.835 1.803 ( -3.449 -0.761 0.173) 3.536 1.898 ( -4.237 -3.259 -0.924) 5.425 1.933 ( -10.029 -4.466 2.315) 11.219 2.084 ( -22.721 1.256 -1.129) 22.784 2.117 ( -10.112 0.550 0.349) 10.133 2.251 ( -1.473 -0.081 -1.536) 2.130 2.314 ( -2.155 -0.969 1.732) 2.930 2.403 ( -7.181 2.606 0.738) 7.675 2.444 ( -9.459 0.659 -0.547) 9.498 2.475 ( -4.568 1.089 -1.801) 5.029 2.515 ( -4.429 0.745 1.768) 4.826 2.626 ( 11.922 -0.583 -0.574) 11.950 2.648 ( 12.316 -1.198 -0.953) 12.411 2.693 ( 12.021 -0.358 -1.343) 12.101 2.726 ( 10.605 0.242 2.443) 10.885 4.429 ( -7.552 -0.591 -0.301) 7.581 4.444 ( -7.803 -1.123 0.295) 7.889 4.576 ( -5.052 0.579 -1.407) 5.276 4.617 ( -4.552 -0.011 1.339) 4.745 4.749 ( 5.722 -0.643 -0.551) 5.784 4.763 ( 5.378 -0.732 0.592) 5.460 5.525 ( 10.812 -0.044 -0.151) 10.813 5.527 ( 10.859 -0.083 0.086) 10.860 6.646 ( -2.300 0.321 -0.552) 2.387 6.665 ( -2.179 -0.201 0.557) 2.258 6.730 ( 0.066 0.327 -0.485) 0.589 6.748 ( -0.141 -0.267 0.446) 0.539 7.338 ( -0.200 0.304 -0.098) 0.377 7.358 ( -0.351 -0.900 0.007) 0.965 7.866 ( -2.765 0.126 0.006) 2.768 7.867 ( -2.798 0.036 0.071) 2.799 12.326 ( -2.451 0.583 0.052) 2.520 12.369 ( -0.531 -2.002 -0.009) 2.071 12.492 ( 0.698 0.238 -3.475) 3.553 12.567 ( 1.742 -0.208 3.667) 4.065 12.708 ( 0.854 4.102 -0.166) 4.194 12.825 ( 0.169 -3.412 -0.587) 3.466 12.911 ( -0.463 0.392 -0.072) 0.611 12.929 ( -0.505 -0.479 0.358) 0.782 ======================= Grid point 323 (124/171) ======================= q-point: ( 0.60 0.00 0.30) 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 1.10e-04 1.10e-04 3.67e-09 3.67e-09 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.031 ( -0.202 0.472 -2.327) 2.383 1.104 ( -0.728 3.026 2.008) 3.704 1.150 ( -4.358 0.808 0.868) 4.517 1.203 ( -3.992 -2.941 -0.068) 4.959 1.492 ( -2.381 0.960 -2.069) 3.297 1.590 ( -2.616 0.256 4.084) 4.857 1.642 ( 1.278 0.230 -1.452) 1.948 1.655 ( -1.148 -0.738 -0.759) 1.562 1.792 ( 0.494 -0.959 0.088) 1.083 1.837 ( 2.486 0.826 4.081) 4.849 1.950 ( -3.528 -0.452 -3.184) 4.774 2.013 ( -1.236 -0.265 1.675) 2.098 2.180 ( 5.549 0.654 -3.437) 6.560 2.267 ( 2.844 0.765 0.912) 3.083 2.283 ( 3.549 0.726 -1.125) 3.793 2.308 ( 4.250 -1.085 -2.581) 5.089 2.352 ( 11.310 1.670 0.544) 11.445 2.411 ( 8.126 -3.184 0.363) 8.735 2.462 ( 5.435 0.496 -0.005) 5.458 2.522 ( 8.468 0.220 3.578) 9.196 2.669 ( -15.075 1.574 -1.429) 15.224 2.701 ( -11.645 -0.463 -0.821) 11.683 2.837 ( -29.511 0.159 0.229) 29.513 2.851 ( -26.283 0.305 0.949) 26.302 4.552 ( -6.086 0.062 -0.447) 6.103 4.568 ( -6.031 -0.413 0.371) 6.056 4.622 ( 6.571 -0.194 -1.133) 6.671 4.652 ( 1.504 0.101 -0.037) 1.508 4.657 ( 0.526 -0.448 -0.769) 1.034 4.709 ( -3.778 -0.045 1.873) 4.217 5.290 ( 14.657 -0.032 -0.101) 14.657 5.290 ( 14.938 -0.043 -0.108) 14.939 6.685 ( -2.036 0.233 -0.855) 2.221 6.702 ( -0.810 0.263 0.143) 0.864 6.735 ( -1.028 0.250 0.245) 1.086 6.748 ( -0.069 -0.604 0.454) 0.759 7.349 ( -0.634 0.450 0.025) 0.778 7.359 ( -0.615 -0.818 -0.153) 1.035 7.912 ( -2.110 0.082 -0.095) 2.114 7.915 ( -2.196 0.094 0.134) 2.202 12.358 ( -1.295 -0.491 -1.007) 1.713 12.380 ( -1.436 -0.462 0.323) 1.542 12.467 ( 0.158 -0.023 -2.497) 2.502 12.557 ( 1.555 -0.092 3.980) 4.274 12.727 ( 0.298 4.418 -0.853) 4.509 12.790 ( 0.124 -3.767 -0.979) 3.894 12.912 ( 0.409 0.160 -0.407) 0.598 12.927 ( 0.717 -0.077 0.617) 0.949 ======================= Grid point 324 (125/171) ======================= q-point: ( 0.70 0.00 0.30) 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 1.10e-04 1.10e-04 3.67e-09 3.67e-09 Number of triplets: 280 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.089 ( -7.418 -0.000 -1.947) 7.669 1.153 ( -4.887 -0.000 -0.222) 4.892 1.274 ( -4.641 -0.000 -0.354) 4.654 1.277 ( -6.980 0.000 0.662) 7.011 1.511 ( -1.044 -0.000 -3.167) 3.335 1.615 ( 1.455 0.000 2.103) 2.557 1.620 ( 0.863 0.000 1.899) 2.086 1.709 ( -2.842 0.000 2.235) 3.616 1.786 ( 3.969 0.000 4.025) 5.653 1.798 ( -1.402 0.000 0.424) 1.465 1.985 ( -0.078 -0.000 -2.070) 2.071 1.989 ( 8.882 -0.000 -0.425) 8.893 2.042 ( 3.390 -0.000 -1.162) 3.584 2.047 ( 13.209 0.000 0.329) 13.213 2.079 ( 10.596 -0.000 -5.884) 12.120 2.151 ( 5.625 -0.000 -4.297) 7.079 2.344 ( 1.269 0.000 2.825) 3.097 2.349 ( 1.206 0.000 1.980) 2.318 2.419 ( 1.743 0.000 0.125) 1.747 2.461 ( -1.373 0.000 1.955) 2.389 2.877 ( -7.770 -0.000 -0.821) 7.813 2.881 ( -7.426 -0.000 -0.617) 7.451 3.347 ( -23.951 0.000 -0.013) 23.951 3.355 ( -24.420 0.000 0.374) 24.422 4.505 ( 4.715 -0.000 -1.262) 4.881 4.557 ( 4.389 0.000 1.405) 4.608 4.642 ( -3.682 -0.000 -0.418) 3.705 4.656 ( -3.445 0.000 0.318) 3.459 4.708 ( -2.395 -0.000 -1.644) 2.905 4.767 ( -1.656 0.000 1.405) 2.171 5.010 ( 14.517 -0.000 -0.321) 14.520 5.017 ( 14.195 0.000 0.069) 14.195 6.698 ( 0.618 -0.000 -0.543) 0.823 6.710 ( -0.617 -0.000 -0.232) 0.659 6.744 ( -0.089 -0.000 -0.231) 0.247 6.774 ( -1.908 0.000 1.024) 2.165 7.360 ( -0.386 -0.000 -0.385) 0.545 7.372 ( -1.067 0.000 0.269) 1.101 7.940 ( -0.994 -0.000 -0.164) 1.007 7.945 ( -0.980 0.000 0.120) 0.987 12.374 ( -1.414 -0.000 -1.300) 1.921 12.393 ( -0.311 -0.000 -1.343) 1.379 12.472 ( -0.947 0.000 0.581) 1.111 12.540 ( 1.757 0.000 3.152) 3.609 12.739 ( 0.289 -0.000 -2.299) 2.317 12.774 ( -1.084 -0.000 -0.577) 1.228 12.900 ( 0.640 -0.000 -0.154) 0.658 12.909 ( 1.378 0.000 0.318) 1.414 ======================= Grid point 332 (126/171) ======================= q-point: ( 0.40 0.10 0.30) 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 1.10e-04 1.10e-04 3.67e-09 3.67e-09 Number of triplets: 280 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.598 ( -0.000 13.317 3.906) 13.879 0.791 ( -0.000 14.725 1.266) 14.780 0.989 ( -0.000 11.117 -1.860) 11.272 1.137 ( -0.000 19.324 4.377) 19.813 1.204 ( -0.000 6.013 -8.086) 10.077 1.330 ( 0.000 -3.828 3.174) 4.973 1.349 ( 0.000 -2.672 1.119) 2.897 1.412 ( 0.000 1.713 3.856) 4.220 1.690 ( -0.000 0.093 -2.416) 2.418 1.758 ( -0.000 0.041 -1.619) 1.620 1.789 ( 0.000 -4.945 0.421) 4.963 1.873 ( -0.000 -3.572 -4.945) 6.100 1.980 ( 0.000 -5.817 3.010) 6.549 2.070 ( -0.000 1.473 -0.772) 1.664 2.128 ( -0.000 -3.571 -2.083) 4.134 2.165 ( -0.000 0.975 0.251) 1.006 2.246 ( 0.000 2.317 3.279) 4.015 2.274 ( 0.000 0.319 1.653) 1.684 2.519 ( 0.000 -0.430 0.565) 0.710 2.673 ( 0.000 -4.871 -1.561) 5.115 2.868 ( 0.000 0.371 0.221) 0.432 2.887 ( -0.000 -0.150 -0.147) 0.210 2.987 ( -0.000 0.575 0.169) 0.600 3.035 ( -0.000 -0.940 -0.611) 1.121 4.267 ( 0.000 -2.259 0.033) 2.259 4.267 ( 0.000 -2.288 0.111) 2.291 4.429 ( -0.000 1.673 0.616) 1.783 4.524 ( -0.000 -0.875 -0.515) 1.015 4.872 ( 0.000 -0.536 -0.137) 0.553 4.885 ( 0.000 -1.539 -0.165) 1.548 5.724 ( -0.000 0.321 0.106) 0.338 5.730 ( 0.000 -0.178 0.163) 0.241 6.596 ( 0.000 -0.175 0.290) 0.339 6.626 ( 0.000 -1.122 -0.110) 1.127 6.721 ( -0.000 0.863 0.057) 0.865 6.746 ( -0.000 0.113 -0.292) 0.313 7.337 ( -0.000 0.584 0.161) 0.606 7.343 ( -0.000 0.611 0.017) 0.611 7.802 ( 0.000 -0.399 -0.003) 0.399 7.803 ( 0.000 -0.439 -0.016) 0.439 12.230 ( -0.000 2.502 0.740) 2.609 12.398 ( -0.000 -1.811 -1.097) 2.117 12.466 ( -0.000 2.307 0.250) 2.321 12.659 ( -0.000 1.662 -2.935) 3.373 12.724 ( 0.000 -2.430 2.208) 3.283 12.798 ( 0.000 -0.433 -0.013) 0.433 12.887 ( 0.000 0.027 0.240) 0.241 12.920 ( 0.000 -0.767 -0.169) 0.785 ======================= Grid point 333 (127/171) ======================= q-point: ( 0.50 0.10 0.30) 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 1.10e-04 1.10e-04 3.67e-09 3.67e-09 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.772 ( -5.274 11.055 2.951) 12.599 0.995 ( -4.425 13.044 2.905) 14.078 1.149 ( -0.383 2.586 -5.835) 6.394 1.228 ( -5.818 2.496 -0.422) 6.345 1.353 ( -4.058 3.609 0.978) 5.518 1.392 ( -10.598 1.269 1.840) 10.831 1.445 ( -13.252 5.194 4.212) 14.843 1.526 ( -12.606 2.732 1.845) 13.030 1.663 ( 0.643 -1.054 -3.619) 3.823 1.716 ( 1.417 0.501 0.261) 1.525 1.818 ( -5.077 -5.229 -4.106) 8.365 1.874 ( -4.291 -3.117 0.021) 5.304 1.916 ( 1.966 -4.481 -0.307) 4.903 2.077 ( -0.973 -4.179 0.638) 4.338 2.164 ( -6.063 2.019 -0.221) 6.394 2.255 ( -6.154 1.612 0.388) 6.373 2.284 ( -2.629 1.819 0.181) 3.202 2.306 ( -2.429 0.002 3.246) 4.054 2.495 ( 2.330 -0.537 -0.602) 2.466 2.551 ( 6.554 -1.132 -0.538) 6.673 2.798 ( 7.073 -0.048 -1.288) 7.189 2.840 ( 6.438 -0.674 0.530) 6.495 2.902 ( 8.971 0.182 0.498) 8.987 2.927 ( 9.853 -0.845 -0.367) 9.896 4.308 ( -5.844 -1.656 -0.195) 6.078 4.320 ( -6.505 -1.751 0.276) 6.742 4.482 ( -3.832 1.238 0.059) 4.028 4.547 ( -3.303 -0.569 0.065) 3.353 4.836 ( 3.333 -0.667 -0.265) 3.409 4.848 ( 2.924 -1.022 0.063) 3.098 5.675 ( 5.691 0.079 0.012) 5.692 5.678 ( 5.614 -0.102 0.150) 5.617 6.609 ( -1.343 0.020 -0.043) 1.344 6.635 ( -1.691 -0.846 0.132) 1.896 6.726 ( 0.120 0.647 -0.255) 0.706 6.746 ( -0.186 0.123 0.093) 0.241 7.336 ( 0.223 0.361 -0.245) 0.490 7.356 ( -0.556 -0.275 0.256) 0.671 7.819 ( -2.089 -0.148 0.006) 2.094 7.821 ( -2.142 -0.202 0.051) 2.152 12.275 ( -2.190 1.698 0.641) 2.844 12.380 ( -0.078 -2.188 -0.496) 2.245 12.483 ( 0.269 1.705 -1.318) 2.172 12.617 ( 2.196 -0.984 -0.581) 2.476 12.705 ( 1.592 2.718 1.454) 3.470 12.833 ( -1.943 -2.558 -0.446) 3.243 12.897 ( -0.794 0.174 0.388) 0.901 12.919 ( -0.692 -0.547 -0.045) 0.884 ======================= Grid point 334 (128/171) ======================= q-point: ( 0.60 0.10 0.30) 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 1.10e-04 1.10e-04 3.67e-09 3.67e-09 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.950 ( -5.430 7.640 0.912) 9.417 1.082 ( 3.088 5.312 1.124) 6.246 1.129 ( -1.493 -0.593 -1.884) 2.476 1.228 ( 3.604 -0.351 2.384) 4.336 1.425 ( -3.102 1.567 -0.510) 3.512 1.546 ( -3.668 1.104 4.601) 5.986 1.632 ( -0.214 -0.639 -3.270) 3.339 1.667 ( 0.923 0.110 -1.016) 1.377 1.788 ( -8.064 2.276 -2.536) 8.754 1.808 ( -2.093 -1.257 0.911) 2.606 1.899 ( -3.078 -1.830 1.035) 3.727 1.951 ( -13.183 -4.532 1.934) 14.074 2.072 ( -23.581 0.906 -1.754) 23.663 2.121 ( -7.492 -0.017 0.583) 7.515 2.237 ( -1.291 -0.412 -1.648) 2.134 2.331 ( -1.753 0.019 2.050) 2.697 2.411 ( -6.681 2.398 1.242) 7.206 2.433 ( -7.900 1.624 -2.216) 8.364 2.465 ( -6.469 0.360 -0.497) 6.498 2.529 ( -5.124 0.899 1.531) 5.423 2.619 ( 10.992 -0.656 -1.023) 11.059 2.639 ( 13.051 -0.969 -0.922) 13.120 2.682 ( 12.744 -0.929 -1.110) 12.826 2.747 ( 10.003 0.217 2.329) 10.273 4.426 ( -7.554 -0.750 -0.353) 7.599 4.447 ( -7.777 -0.994 0.341) 7.847 4.564 ( -4.722 0.164 -1.434) 4.937 4.628 ( -4.658 0.543 1.310) 4.869 4.745 ( 5.693 -0.912 -0.480) 5.785 4.768 ( 5.205 -0.556 0.563) 5.265 5.523 ( 10.835 -0.064 -0.154) 10.836 5.528 ( 10.918 -0.082 0.047) 10.919 6.641 ( -2.135 0.164 -0.583) 2.219 6.671 ( -2.293 -0.058 0.587) 2.368 6.725 ( 0.006 0.136 -0.535) 0.552 6.752 ( -0.157 -0.090 0.476) 0.509 7.337 ( -0.366 0.147 -0.153) 0.423 7.358 ( -0.155 -0.725 0.005) 0.741 7.866 ( -2.752 0.090 0.023) 2.754 7.868 ( -2.800 0.073 0.100) 2.803 12.326 ( -2.144 0.511 0.091) 2.206 12.369 ( -0.559 -1.663 -0.045) 1.755 12.463 ( 0.734 -0.274 -3.141) 3.238 12.598 ( 1.114 0.487 3.605) 3.804 12.706 ( 1.144 3.728 -0.323) 3.913 12.818 ( 0.364 -3.187 -0.990) 3.357 12.910 ( -0.263 0.217 -0.068) 0.348 12.933 ( -0.675 -0.401 0.499) 0.930 ======================= Grid point 335 (129/171) ======================= q-point: ( 0.70 0.10 0.30) 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 1.10e-04 1.10e-04 3.67e-09 3.67e-09 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.014 ( -0.121 -0.047 -1.662) 1.667 1.110 ( -2.419 2.479 -0.498) 3.500 1.165 ( -2.180 0.479 2.532) 3.375 1.204 ( -3.229 -1.272 0.358) 3.489 1.478 ( -1.824 0.600 -1.294) 2.315 1.616 ( -1.091 0.300 1.565) 1.931 1.631 ( -0.269 0.581 -0.909) 1.112 1.657 ( -2.864 -1.502 1.577) 3.598 1.791 ( 0.192 -0.873 -0.396) 0.978 1.870 ( 0.836 2.786 3.071) 4.230 1.927 ( -2.413 -2.166 -1.399) 3.531 2.027 ( 0.095 -0.262 1.503) 1.528 2.148 ( 4.855 0.373 -4.116) 6.376 2.252 ( 2.181 2.770 -2.951) 4.597 2.280 ( 8.963 -0.518 -1.855) 9.168 2.302 ( 5.206 -1.673 2.070) 5.847 2.357 ( 9.937 1.389 0.389) 10.041 2.408 ( 7.293 -2.967 -0.779) 7.912 2.468 ( 3.192 0.644 1.038) 3.417 2.551 ( 8.052 0.522 3.352) 8.737 2.657 ( -15.692 0.986 -1.334) 15.780 2.691 ( -11.391 -0.262 -1.522) 11.495 2.841 ( -29.577 0.193 0.602) 29.584 2.859 ( -25.621 0.350 0.798) 25.635 4.548 ( -6.142 -0.079 -0.399) 6.156 4.571 ( -5.896 -0.250 0.302) 5.909 4.613 ( 6.620 -0.242 -0.891) 6.684 4.640 ( -4.125 -0.011 -1.578) 4.417 4.664 ( 5.995 -0.359 0.911) 6.074 4.723 ( -3.704 -0.008 1.482) 3.989 5.289 ( 15.015 -0.052 -0.139) 15.016 5.289 ( 14.600 -0.036 -0.122) 14.601 6.679 ( -2.065 0.189 -0.712) 2.193 6.702 ( -0.225 0.211 -0.165) 0.350 6.738 ( -1.833 0.099 0.436) 1.887 6.752 ( 0.158 -0.364 0.424) 0.581 7.350 ( -0.658 0.318 0.059) 0.733 7.357 ( -0.605 -0.687 -0.217) 0.941 7.911 ( -2.060 0.070 -0.070) 2.062 7.916 ( -2.199 0.105 0.118) 2.205 12.350 ( -1.042 -0.588 -0.831) 1.457 12.380 ( -0.956 -0.439 -0.418) 1.132 12.451 ( -0.905 0.026 -1.214) 1.515 12.590 ( 1.896 -0.021 3.744) 4.197 12.719 ( 0.519 4.313 -1.169) 4.498 12.779 ( 0.177 -3.665 -1.357) 3.913 12.909 ( 0.387 0.109 -0.293) 0.498 12.932 ( 0.788 -0.104 0.522) 0.951 ======================= Grid point 336 (130/171) ======================= q-point: ( 0.80 0.10 0.30) 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 1.10e-04 1.10e-04 3.67e-09 3.67e-09 Number of triplets: 275 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.075 ( -7.666 -0.000 -1.373) 7.788 1.144 ( -3.680 -0.000 -1.719) 4.062 1.272 ( -3.950 -0.000 -0.151) 3.952 1.289 ( -8.007 0.000 1.873) 8.223 1.487 ( -0.518 -0.000 -2.565) 2.617 1.628 ( 0.285 0.000 0.836) 0.883 1.645 ( -0.498 0.000 3.871) 3.903 1.721 ( -0.334 0.000 0.938) 0.995 1.795 ( -1.235 -0.000 -1.078) 1.639 1.832 ( 3.433 0.000 6.127) 7.024 1.965 ( -2.090 -0.000 -2.512) 3.268 1.988 ( 9.769 0.000 0.216) 9.771 2.027 ( 3.262 -0.000 -2.519) 4.121 2.027 ( 11.497 -0.000 -4.194) 12.238 2.057 ( 14.360 0.000 0.387) 14.365 2.113 ( 4.248 -0.000 -4.590) 6.255 2.362 ( -0.902 0.000 1.485) 1.737 2.363 ( 0.817 0.000 1.316) 1.549 2.424 ( 4.863 0.000 1.060) 4.977 2.477 ( -1.153 0.000 1.640) 2.005 2.870 ( -7.979 -0.000 -0.816) 8.021 2.876 ( -7.584 -0.000 -0.652) 7.612 3.348 ( -23.747 0.000 0.037) 23.747 3.358 ( -24.366 0.000 0.319) 24.368 4.496 ( 4.740 -0.000 -0.894) 4.823 4.568 ( 4.292 0.000 1.041) 4.416 4.638 ( -3.736 -0.000 -0.322) 3.750 4.658 ( -3.406 0.000 0.218) 3.413 4.696 ( -2.501 -0.000 -1.236) 2.790 4.777 ( -1.500 0.000 1.000) 1.803 5.007 ( 14.580 -0.000 -0.279) 14.583 5.017 ( 14.124 -0.000 0.023) 14.124 6.694 ( 0.622 -0.000 -0.412) 0.746 6.707 ( -1.076 -0.000 -0.389) 1.144 6.743 ( 0.475 0.000 0.055) 0.478 6.781 ( -2.028 0.000 0.765) 2.167 7.357 ( -0.265 -0.000 -0.296) 0.397 7.374 ( -1.204 0.000 0.180) 1.217 7.939 ( -0.982 -0.000 -0.127) 0.990 7.946 ( -0.961 0.000 0.082) 0.965 12.364 ( -1.352 -0.000 -0.996) 1.679 12.380 ( 0.017 -0.000 -1.411) 1.412 12.480 ( -1.710 0.000 1.100) 2.034 12.565 ( 2.067 0.000 2.643) 3.355 12.720 ( 0.767 -0.000 -2.120) 2.255 12.767 ( -1.264 -0.000 -0.956) 1.585 12.899 ( 0.520 -0.000 -0.127) 0.535 12.911 ( 1.468 0.000 0.244) 1.488 ======================= Grid point 344 (131/171) ======================= q-point: ( 0.50 0.20 0.30) 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 1.10e-04 1.10e-04 3.67e-09 3.67e-09 Number of triplets: 275 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.645 ( 0.000 11.551 6.876) 13.442 0.807 ( -0.000 14.406 2.362) 14.598 0.970 ( -0.000 11.582 -2.524) 11.854 1.128 ( -0.000 4.087 -9.476) 10.320 1.185 ( -0.000 18.150 6.797) 19.380 1.351 ( 0.000 -0.591 1.944) 2.032 1.363 ( 0.000 -2.282 2.192) 3.164 1.451 ( 0.000 2.368 4.838) 5.387 1.663 ( -0.000 -1.090 -3.953) 4.100 1.736 ( -0.000 -1.168 -3.719) 3.898 1.793 ( 0.000 -3.752 0.339) 3.767 1.835 ( -0.000 -1.516 -3.665) 3.966 1.999 ( 0.000 -7.505 1.622) 7.678 2.056 ( -0.000 -1.323 -2.524) 2.850 2.117 ( -0.000 0.080 -0.320) 0.330 2.165 ( -0.000 1.941 -0.278) 1.961 2.278 ( 0.000 1.256 3.860) 4.060 2.294 ( 0.000 0.089 2.885) 2.886 2.526 ( 0.000 -0.995 1.048) 1.445 2.655 ( -0.000 -4.429 -2.752) 5.214 2.870 ( 0.000 0.156 0.321) 0.357 2.885 ( -0.000 -0.200 -0.246) 0.317 2.989 ( 0.000 0.489 0.321) 0.585 3.028 ( -0.000 -0.680 -1.000) 1.209 4.267 ( 0.000 -2.280 0.065) 2.281 4.268 ( 0.000 -2.346 0.144) 2.350 4.436 ( 0.000 1.568 1.169) 1.956 4.518 ( -0.000 -0.614 -1.002) 1.175 4.871 ( 0.000 -0.541 -0.139) 0.558 4.883 ( 0.000 -1.459 -0.305) 1.491 5.726 ( 0.000 0.292 0.197) 0.352 5.731 ( 0.000 -0.186 0.200) 0.273 6.600 ( 0.000 -0.350 0.501) 0.611 6.624 ( 0.000 -1.103 -0.221) 1.125 6.722 ( -0.000 0.834 0.125) 0.843 6.742 ( -0.000 0.241 -0.489) 0.545 7.339 ( -0.000 0.543 0.238) 0.593 7.343 ( -0.000 0.603 0.027) 0.604 7.802 ( 0.000 -0.398 -0.003) 0.398 7.802 ( 0.000 -0.432 -0.028) 0.433 12.239 ( 0.000 2.554 1.457) 2.940 12.383 ( -0.000 -0.277 -2.481) 2.497 12.472 ( 0.000 1.203 1.254) 1.738 12.631 ( -0.000 0.470 -3.559) 3.590 12.743 ( 0.000 -1.125 2.171) 2.445 12.798 ( -0.000 -0.213 -0.128) 0.249 12.890 ( 0.000 0.034 0.444) 0.445 12.918 ( -0.000 -0.640 -0.330) 0.720 ======================= Grid point 345 (132/171) ======================= q-point: ( 0.60 0.20 0.30) 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 1.10e-04 1.10e-04 3.67e-09 3.67e-09 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.803 ( -4.489 9.325 4.459) 11.268 1.023 ( -5.426 12.340 3.354) 13.892 1.094 ( -0.624 1.259 -6.600) 6.748 1.223 ( -8.555 7.192 -0.786) 11.204 1.367 ( -2.401 1.451 2.164) 3.543 1.409 ( -10.633 2.462 2.057) 11.107 1.481 ( -13.236 5.911 3.881) 15.006 1.545 ( -8.404 2.045 2.536) 9.013 1.631 ( -0.774 -1.684 -3.553) 4.007 1.714 ( 0.388 -0.130 -0.743) 0.848 1.778 ( -4.124 -3.096 -4.940) 7.141 1.874 ( -4.825 -3.103 0.187) 5.740 1.913 ( 1.979 -5.456 -0.252) 5.809 2.075 ( -3.485 -4.435 -1.121) 5.750 2.168 ( -4.898 2.455 1.056) 5.580 2.261 ( -7.252 2.393 0.757) 7.674 2.286 ( -0.185 1.357 0.542) 1.473 2.334 ( -2.197 -0.141 3.266) 3.938 2.489 ( 3.587 -1.307 -0.849) 3.911 2.546 ( 4.928 -0.956 -0.761) 5.077 2.787 ( 7.476 -0.177 -1.193) 7.573 2.843 ( 6.778 -0.584 0.292) 6.810 2.906 ( 8.835 -0.218 0.403) 8.847 2.924 ( 9.172 -0.519 -0.284) 9.191 4.306 ( -5.787 -1.741 -0.168) 6.046 4.322 ( -6.532 -1.727 0.258) 6.762 4.483 ( -3.170 0.780 0.088) 3.265 4.548 ( -3.831 0.027 0.070) 3.832 4.834 ( 3.382 -0.816 -0.259) 3.489 4.848 ( 2.757 -0.839 0.023) 2.882 5.675 ( 5.786 0.027 0.046) 5.787 5.679 ( 5.652 -0.082 0.144) 5.655 6.608 ( -1.119 -0.142 -0.047) 1.129 6.636 ( -1.886 -0.761 0.155) 2.040 6.724 ( 0.295 0.562 -0.286) 0.696 6.747 ( -0.426 0.225 0.088) 0.490 7.334 ( 0.259 0.294 -0.240) 0.460 7.358 ( -0.455 -0.184 0.250) 0.551 7.819 ( -2.125 -0.172 0.014) 2.132 7.821 ( -2.162 -0.173 0.055) 2.170 12.282 ( -1.750 1.836 1.018) 2.733 12.373 ( -0.266 -1.111 -1.174) 1.638 12.472 ( 1.205 0.186 -0.998) 1.576 12.611 ( 0.107 0.415 -0.765) 0.877 12.718 ( 2.243 1.969 1.627) 3.400 12.829 ( -1.479 -2.227 -0.571) 2.734 12.901 ( -0.763 0.077 0.481) 0.905 12.918 ( -0.850 -0.400 -0.089) 0.944 ======================= Grid point 346 (133/171) ======================= q-point: ( 0.70 0.20 0.30) 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 1.10e-04 1.10e-04 3.67e-09 3.67e-09 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.961 ( -4.744 5.870 1.657) 7.727 1.069 ( 1.231 0.614 -3.436) 3.701 1.135 ( -0.590 4.102 2.714) 4.954 1.247 ( 4.808 2.503 2.032) 5.788 1.424 ( -2.950 0.708 0.104) 3.035 1.578 ( -3.515 0.805 2.432) 4.350 1.608 ( -0.678 -0.673 -1.770) 2.011 1.662 ( 0.532 -0.528 -0.102) 0.757 1.760 ( -6.572 2.380 -3.706) 7.911 1.816 ( -1.855 -1.210 0.788) 2.350 1.911 ( -4.297 -1.307 1.467) 4.724 1.966 ( -15.224 -4.205 1.806) 15.897 2.056 ( -24.437 0.769 -1.975) 24.529 2.126 ( -5.129 -0.667 0.553) 5.202 2.225 ( -0.085 -0.604 -0.983) 1.157 2.347 ( -1.817 1.055 1.478) 2.569 2.411 ( -7.613 1.476 -2.436) 8.129 2.423 ( -5.578 2.166 1.413) 6.148 2.463 ( -7.441 0.754 -0.189) 7.482 2.541 ( -6.228 1.049 1.160) 6.421 2.610 ( 9.981 -0.730 -0.984) 10.056 2.633 ( 13.726 -1.052 -0.541) 13.777 2.673 ( 13.434 -1.357 -1.031) 13.542 2.764 ( 9.595 0.145 1.770) 9.758 4.423 ( -7.543 -0.862 -0.280) 7.597 4.450 ( -7.760 -0.915 0.266) 7.818 4.553 ( -4.482 -0.068 -1.089) 4.612 4.638 ( -4.572 0.951 0.945) 4.765 4.741 ( 5.566 -1.135 -0.308) 5.689 4.773 ( 5.038 -0.455 0.414) 5.075 5.522 ( 10.870 -0.080 -0.123) 10.871 5.528 ( 10.984 -0.090 0.015) 10.984 6.636 ( -2.018 0.068 -0.442) 2.067 6.675 ( -2.330 0.025 0.439) 2.371 6.721 ( -0.075 0.012 -0.411) 0.418 6.756 ( -0.187 0.014 0.359) 0.406 7.336 ( -0.545 -0.020 -0.146) 0.564 7.358 ( 0.058 -0.537 -0.001) 0.540 7.866 ( -2.738 0.062 0.031) 2.739 7.869 ( -2.802 0.102 0.091) 2.806 12.327 ( -1.722 0.409 0.103) 1.773 12.368 ( -0.573 -1.116 -0.108) 1.259 12.440 ( 0.477 -0.746 -2.264) 2.431 12.627 ( 0.405 1.328 3.044) 3.346 12.703 ( 1.640 2.975 -0.469) 3.430 12.809 ( 0.635 -2.922 -1.074) 3.177 12.910 ( -0.095 0.095 -0.038) 0.140 12.937 ( -0.801 -0.359 0.437) 0.980 ======================= Grid point 347 (134/171) ======================= q-point: ( 0.80 0.20 0.30) 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 1.10e-04 1.10e-04 3.67e-09 3.67e-09 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.003 ( 0.008 -0.409 -0.977) 1.059 1.101 ( -3.169 1.209 -1.174) 3.589 1.187 ( -0.830 1.180 2.436) 2.831 1.208 ( -2.572 -0.055 0.471) 2.616 1.469 ( -1.272 0.276 -0.915) 1.591 1.614 ( -1.316 -0.485 -1.167) 1.824 1.635 ( -0.992 1.023 1.381) 1.985 1.677 ( -3.772 -1.574 2.483) 4.783 1.783 ( -0.010 -0.398 -1.519) 1.570 1.875 ( -3.136 2.906 -1.071) 4.408 1.940 ( 0.534 -2.419 3.729) 4.477 2.039 ( 2.098 -0.258 1.247) 2.454 2.112 ( 4.317 0.272 -4.175) 6.012 2.227 ( 2.813 2.189 -2.614) 4.420 2.264 ( 11.518 -0.458 -1.521) 11.627 2.323 ( 5.668 -0.829 2.656) 6.314 2.359 ( 9.700 1.108 0.073) 9.763 2.399 ( 6.046 -3.002 -1.256) 6.866 2.476 ( 1.880 0.754 0.872) 2.205 2.577 ( 7.654 1.028 2.506) 8.120 2.648 ( -15.584 0.264 -0.657) 15.600 2.677 ( -11.878 -0.183 -1.780) 12.012 2.846 ( -29.283 0.248 0.559) 29.289 2.864 ( -25.293 0.375 0.514) 25.301 4.545 ( -6.180 -0.153 -0.267) 6.188 4.573 ( -5.743 -0.143 0.184) 5.748 4.607 ( 6.624 -0.285 -0.557) 6.654 4.629 ( -4.155 -0.070 -1.051) 4.287 4.670 ( 5.875 -0.321 0.602) 5.915 4.733 ( -3.633 0.011 0.949) 3.755 5.288 ( 15.095 -0.063 -0.117) 15.096 5.288 ( 14.540 -0.038 -0.096) 14.541 6.674 ( -2.063 0.152 -0.465) 2.120 6.700 ( 0.073 0.164 -0.203) 0.271 6.741 ( -2.316 0.004 0.374) 2.346 6.755 ( 0.320 -0.192 0.282) 0.468 7.350 ( -0.703 0.138 0.109) 0.724 7.355 ( -0.574 -0.507 -0.236) 0.802 7.911 ( -2.017 0.061 -0.042) 2.018 7.917 ( -2.195 0.112 0.081) 2.199 12.344 ( -0.864 -0.677 -0.541) 1.224 12.374 ( -0.389 -0.389 -0.717) 0.903 12.445 ( -1.925 0.041 -0.290) 1.947 12.619 ( 2.339 0.053 3.050) 3.844 12.708 ( 0.547 4.255 -1.206) 4.456 12.768 ( 0.256 -3.628 -1.283) 3.857 12.907 ( 0.381 0.076 -0.176) 0.426 12.936 ( 0.853 -0.136 0.340) 0.928 ======================= Grid point 348 (135/171) ======================= q-point: (-0.10 0.20 0.30) 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 1.10e-04 1.10e-04 3.67e-09 3.67e-09 Number of triplets: 280 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.066 ( -7.802 -0.000 -0.711) 7.834 1.129 ( -2.931 -0.000 -1.402) 3.249 1.272 ( -3.506 0.000 -0.009) 3.506 1.305 ( -9.079 0.000 1.601) 9.219 1.469 ( 0.274 -0.000 -1.574) 1.598 1.631 ( -0.836 0.000 0.044) 0.838 1.682 ( -2.116 0.000 4.390) 4.873 1.728 ( 1.965 0.000 0.751) 2.104 1.779 ( -0.278 -0.000 -2.721) 2.735 1.881 ( 3.101 0.000 5.167) 6.026 1.946 ( -3.350 -0.000 -1.787) 3.797 1.992 ( 10.345 0.000 0.640) 10.365 1.999 ( 13.730 -0.000 -2.203) 13.906 2.004 ( 2.629 -0.000 -2.811) 3.849 2.061 ( 14.732 0.000 0.401) 14.737 2.078 ( 2.364 -0.000 -3.351) 4.101 2.370 ( -2.367 0.000 0.445) 2.408 2.371 ( 0.536 0.000 0.647) 0.840 2.434 ( 6.889 0.000 0.969) 6.957 2.488 ( -1.002 0.000 0.931) 1.368 2.865 ( -8.129 -0.000 -0.509) 8.145 2.871 ( -7.744 -0.000 -0.416) 7.755 3.348 ( -23.603 0.000 0.035) 23.603 3.360 ( -24.306 0.000 0.183) 24.307 4.490 ( 4.748 -0.000 -0.462) 4.770 4.574 ( 4.223 0.000 0.555) 4.259 4.636 ( -3.773 -0.000 -0.177) 3.777 4.659 ( -3.382 0.000 0.110) 3.383 4.688 ( -2.562 -0.000 -0.663) 2.647 4.784 ( -1.400 0.000 0.521) 1.494 5.005 ( 14.626 -0.000 -0.164) 14.626 5.017 ( 14.075 -0.000 0.004) 14.075 6.691 ( 0.614 -0.000 -0.221) 0.652 6.704 ( -1.275 -0.000 -0.261) 1.302 6.744 ( 0.741 0.000 0.086) 0.746 6.786 ( -2.096 0.000 0.408) 2.135 7.355 ( -0.188 -0.000 -0.161) 0.248 7.375 ( -1.293 0.000 0.089) 1.296 7.938 ( -0.972 -0.000 -0.070) 0.974 7.947 ( -0.947 0.000 0.042) 0.948 12.358 ( -1.307 -0.000 -0.538) 1.413 12.370 ( 0.116 -0.000 -0.827) 0.835 12.488 ( -2.181 0.000 0.788) 2.319 12.583 ( 2.341 0.000 1.573) 2.820 12.705 ( 1.171 -0.000 -1.306) 1.754 12.760 ( -1.435 -0.000 -0.745) 1.617 12.898 ( 0.455 -0.000 -0.075) 0.461 12.913 ( 1.518 0.000 0.127) 1.523 ======================= Grid point 349 (136/171) ======================= q-point: ( 0.00 0.30 0.30) 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 1.10e-04 1.10e-04 3.67e-09 3.67e-09 Number of triplets: 165 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.063 ( -7.843 0.000 -0.000) 7.843 1.123 ( -2.692 0.000 -0.000) 2.692 1.272 ( -3.357 0.000 -0.000) 3.357 1.312 ( -9.615 0.000 -0.000) 9.615 1.462 ( 0.717 -0.000 0.000) 0.717 1.631 ( -1.208 0.000 -0.000) 1.208 1.706 ( -4.026 0.000 -0.000) 4.026 1.731 ( 2.742 -0.000 0.000) 2.742 1.761 ( 1.475 -0.000 0.000) 1.475 1.907 ( 3.368 -0.000 0.000) 3.368 1.938 ( -3.549 0.000 -0.000) 3.549 1.987 ( -0.018 0.000 -0.000) 0.018 1.990 ( 13.972 -0.000 0.000) 13.972 1.998 ( 13.942 -0.000 0.000) 13.942 2.062 ( 0.669 -0.000 0.000) 0.669 2.063 ( 14.831 -0.000 0.000) 14.831 2.371 ( -2.710 0.000 -0.000) 2.710 2.374 ( 0.438 -0.000 0.000) 0.438 2.438 ( 7.425 -0.000 0.000) 7.425 2.492 ( -0.953 0.000 -0.000) 0.953 2.862 ( -8.184 0.000 -0.000) 8.184 2.869 ( -7.811 0.000 -0.000) 7.811 3.348 ( -23.551 0.000 -0.000) 23.551 3.361 ( -24.280 0.000 -0.000) 24.280 4.488 ( 4.749 -0.000 0.000) 4.749 4.577 ( 4.198 -0.000 0.000) 4.198 4.635 ( -3.786 0.000 -0.000) 3.786 4.660 ( -3.373 0.000 -0.000) 3.373 4.685 ( -2.582 0.000 -0.000) 2.582 4.786 ( -1.367 0.000 -0.000) 1.367 5.005 ( 14.642 -0.000 0.000) 14.642 5.017 ( 14.058 -0.000 0.000) 14.058 6.691 ( 0.609 -0.000 0.000) 0.609 6.703 ( -1.326 0.000 -0.000) 1.326 6.744 ( 0.815 -0.000 0.000) 0.815 6.788 ( -2.118 0.000 -0.000) 2.118 7.354 ( -0.162 0.000 -0.000) 0.162 7.376 ( -1.324 0.000 -0.000) 1.324 7.937 ( -0.968 0.000 -0.000) 0.968 7.947 ( -0.941 0.000 -0.000) 0.941 12.356 ( -1.291 0.000 -0.000) 1.291 12.367 ( 0.136 -0.000 0.000) 0.136 12.492 ( -2.357 0.000 -0.000) 2.357 12.590 ( 2.464 -0.000 0.000) 2.464 12.699 ( 1.339 -0.000 0.000) 1.339 12.756 ( -1.518 0.000 -0.000) 1.518 12.898 ( 0.435 -0.000 0.000) 0.435 12.913 ( 1.534 -0.000 0.000) 1.534 ======================= Grid point 355 (137/171) ======================= q-point: ( 0.60 0.30 0.30) 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 1.10e-04 1.10e-04 3.67e-09 3.67e-09 Number of triplets: 280 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.711 ( 0.000 9.398 8.688) 12.799 0.830 ( -0.000 13.930 3.149) 14.282 0.947 ( -0.000 11.838 -2.941) 12.198 1.046 ( 0.000 3.839 -10.011) 10.722 1.247 ( 0.000 16.775 7.605) 18.419 1.364 ( -0.000 2.254 1.052) 2.487 1.386 ( -0.000 -1.715 3.190) 3.622 1.486 ( -0.000 3.282 2.981) 4.434 1.628 ( 0.000 -2.386 -3.865) 4.542 1.698 ( -0.000 -2.124 -4.880) 5.323 1.795 ( -0.000 -2.703 0.067) 2.704 1.813 ( 0.000 -0.844 -1.882) 2.062 2.008 ( 0.000 -8.094 0.451) 8.107 2.033 ( -0.000 -3.696 -2.548) 4.489 2.120 ( -0.000 2.182 0.901) 2.361 2.160 ( -0.000 2.850 -0.896) 2.988 2.309 ( -0.000 0.885 3.368) 3.482 2.319 ( 0.000 0.020 2.814) 2.814 2.537 ( 0.000 -1.769 1.509) 2.325 2.628 ( 0.000 -3.954 -3.377) 5.199 2.873 ( -0.000 -0.060 0.314) 0.319 2.883 ( -0.000 -0.259 -0.284) 0.385 2.992 ( 0.000 0.365 0.460) 0.587 3.019 ( 0.000 -0.392 -1.099) 1.167 4.268 ( -0.000 -2.311 0.089) 2.313 4.269 ( -0.000 -2.391 0.092) 2.393 4.448 ( -0.000 1.370 1.597) 2.104 4.508 ( -0.000 -0.228 -1.425) 1.443 4.870 ( -0.000 -0.614 0.001) 0.614 4.880 ( -0.000 -1.329 -0.395) 1.386 5.728 ( 0.000 0.240 0.254) 0.349 5.733 ( 0.000 -0.148 0.101) 0.179 6.604 ( -0.000 -0.563 0.599) 0.822 6.622 ( -0.000 -1.066 -0.334) 1.117 6.724 ( -0.000 0.786 0.213) 0.814 6.738 ( -0.000 0.393 -0.558) 0.682 7.341 ( -0.000 0.518 0.217) 0.562 7.343 ( -0.000 0.589 0.022) 0.590 7.802 ( -0.000 -0.398 0.002) 0.398 7.802 ( -0.000 -0.423 -0.033) 0.424 12.254 ( 0.000 2.598 2.131) 3.360 12.358 ( 0.000 1.115 -3.333) 3.515 12.487 ( 0.000 0.278 2.298) 2.314 12.600 ( -0.000 -0.071 -3.750) 3.751 12.760 ( -0.000 -0.431 1.825) 1.875 12.796 ( 0.000 0.025 -0.360) 0.361 12.894 ( 0.000 0.023 0.586) 0.587 12.915 ( 0.000 -0.465 -0.471) 0.662 ======================= Grid point 356 (138/171) ======================= q-point: ( 0.70 0.30 0.30) 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 1.10e-04 1.10e-04 3.67e-09 3.67e-09 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.846 ( -3.557 7.265 5.537) 9.802 1.019 ( -2.187 4.707 -5.916) 7.869 1.070 ( -5.863 8.625 2.363) 10.693 1.214 ( -10.156 9.572 -1.402) 14.026 1.388 ( -0.895 -0.411 2.655) 2.832 1.426 ( -9.111 4.488 1.899) 10.333 1.509 ( -13.357 5.818 2.781) 14.832 1.560 ( -4.500 2.386 0.201) 5.097 1.610 ( -3.323 -2.175 -0.920) 4.077 1.703 ( -3.037 -2.135 -1.828) 4.138 1.741 ( -1.386 -1.112 -3.402) 3.838 1.876 ( -4.781 -3.361 0.248) 5.849 1.911 ( 1.498 -5.000 -0.385) 5.234 2.063 ( -4.974 -4.693 -1.524) 7.006 2.179 ( -4.769 3.098 1.336) 5.841 2.265 ( -7.934 2.918 0.104) 8.454 2.293 ( 1.887 0.553 0.999) 2.206 2.359 ( -1.754 -0.021 2.487) 3.044 2.482 ( 4.757 -2.014 -0.771) 5.223 2.539 ( 3.281 -0.900 -0.747) 3.483 2.778 ( 7.816 -0.276 -0.811) 7.863 2.845 ( 7.063 -0.575 0.116) 7.087 2.908 ( 9.478 -0.675 0.001) 9.502 2.923 ( 7.849 -0.091 0.055) 7.850 4.305 ( -5.731 -1.804 -0.108) 6.009 4.324 ( -6.561 -1.718 0.172) 6.784 4.483 ( -2.502 0.314 0.083) 2.523 4.548 ( -4.365 0.628 0.048) 4.410 4.832 ( 3.417 -0.936 -0.173) 3.547 4.848 ( 2.611 -0.693 -0.007) 2.702 5.675 ( 5.879 -0.022 0.053) 5.880 5.680 ( 5.686 -0.057 0.093) 5.687 6.608 ( -0.921 -0.286 -0.033) 0.964 6.637 ( -2.056 -0.693 0.120) 2.173 6.722 ( 0.426 0.501 -0.215) 0.692 6.748 ( -0.620 0.301 0.057) 0.691 7.332 ( 0.310 0.253 -0.164) 0.432 7.360 ( -0.376 -0.117 0.170) 0.428 7.819 ( -2.161 -0.193 0.015) 2.170 7.822 ( -2.182 -0.147 0.039) 2.187 12.291 ( -1.114 1.982 1.209) 2.575 12.361 ( -0.733 0.043 -1.601) 1.761 12.467 ( 2.160 -1.357 -0.351) 2.575 12.605 ( -1.590 1.405 -0.662) 2.223 12.730 ( 2.568 1.557 1.249) 3.252 12.824 ( -1.044 -1.944 -0.502) 2.263 12.905 ( -0.592 -0.021 0.428) 0.731 12.917 ( -1.111 -0.216 -0.131) 1.139 ======================= Grid point 357 (139/171) ======================= q-point: ( 0.80 0.30 0.30) 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 1.10e-04 1.10e-04 3.67e-09 3.67e-09 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.978 ( -4.137 3.974 2.372) 6.208 1.037 ( -0.456 1.002 -3.725) 3.884 1.159 ( 0.602 3.893 2.291) 4.557 1.261 ( 5.646 5.346 1.145) 7.859 1.425 ( -2.900 -0.307 0.092) 2.917 1.577 ( -2.831 -0.460 -1.388) 3.186 1.614 ( -1.261 0.165 1.822) 2.222 1.665 ( -0.059 -1.166 0.666) 1.344 1.730 ( -5.536 3.106 -3.159) 7.091 1.821 ( -1.769 -1.135 0.404) 2.140 1.920 ( -6.341 -1.568 0.787) 6.579 1.982 ( -14.947 -4.281 1.765) 15.648 2.040 ( -25.491 1.431 -1.776) 25.592 2.129 ( -4.289 -1.120 0.208) 4.437 2.221 ( 2.104 -0.823 -0.164) 2.265 2.354 ( -3.681 2.216 0.240) 4.303 2.395 ( -5.826 0.788 -1.160) 5.992 2.435 ( -5.719 1.781 1.255) 6.120 2.460 ( -7.333 1.470 -0.451) 7.493 2.548 ( -7.361 1.277 0.662) 7.501 2.603 ( 9.238 -0.862 -0.556) 9.295 2.630 ( 13.933 -1.228 -0.216) 13.989 2.666 ( 14.232 -1.670 -0.701) 14.347 2.776 ( 9.345 0.092 0.947) 9.393 4.421 ( -7.531 -0.929 -0.152) 7.590 4.451 ( -7.751 -0.875 0.142) 7.801 4.546 ( -4.326 -0.191 -0.582) 4.369 4.644 ( -4.421 1.218 0.482) 4.611 4.739 ( 5.405 -1.292 -0.138) 5.559 4.775 ( 4.920 -0.399 0.217) 4.941 5.521 ( 10.901 -0.092 -0.068) 10.902 5.528 ( 11.034 -0.097 0.000) 11.034 6.634 ( -1.947 0.012 -0.235) 1.961 6.678 ( -2.317 0.074 0.228) 2.330 6.719 ( -0.158 -0.064 -0.217) 0.276 6.758 ( -0.213 0.070 0.190) 0.294 7.335 ( -0.671 -0.139 -0.087) 0.691 7.358 ( 0.213 -0.401 -0.004) 0.454 7.866 ( -2.727 0.044 0.022) 2.727 7.870 ( -2.804 0.122 0.053) 2.807 12.328 ( -1.331 0.308 0.074) 1.368 12.367 ( -0.561 -0.520 -0.121) 0.774 12.426 ( 0.161 -1.215 -1.149) 1.680 12.648 ( -0.546 2.560 1.977) 3.281 12.698 ( 2.412 1.721 -0.511) 3.007 12.801 ( 0.893 -2.689 -0.730) 2.926 12.910 ( 0.010 0.035 -0.015) 0.040 12.940 ( -0.867 -0.339 0.248) 0.963 ======================= Grid point 358 (140/171) ======================= q-point: ( 0.90 0.30 0.30) 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 1.10e-04 1.10e-04 3.67e-09 3.67e-09 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.997 ( 0.104 -0.605 -0.320) 0.692 1.094 ( -3.288 0.674 -0.524) 3.397 1.203 ( 0.014 1.320 1.168) 1.763 1.210 ( -2.497 0.733 0.016) 2.603 1.463 ( -0.987 0.048 -0.381) 1.060 1.606 ( -1.761 -0.478 -0.516) 1.896 1.647 ( -1.695 0.759 0.996) 2.108 1.692 ( -3.917 -1.631 1.003) 4.360 1.770 ( -0.159 0.143 -1.171) 1.191 1.868 ( -3.449 1.753 -0.511) 3.902 1.970 ( -1.198 -1.533 2.507) 3.173 2.046 ( 6.913 -0.283 0.397) 6.930 2.083 ( 2.056 0.248 -2.245) 3.054 2.211 ( 3.294 1.929 -1.078) 3.966 2.255 ( 12.578 -0.399 -0.526) 12.596 2.343 ( 5.021 0.556 1.954) 5.416 2.357 ( 11.524 0.136 -0.626) 11.541 2.390 ( 4.362 -3.219 -0.799) 5.480 2.481 ( 1.271 0.836 0.312) 1.553 2.592 ( 7.303 1.698 0.962) 7.560 2.647 ( -13.980 -0.840 0.203) 14.007 2.663 ( -13.525 0.154 -1.181) 13.577 2.849 ( -29.050 0.282 0.220) 29.052 2.867 ( -25.169 0.386 0.176) 25.173 4.544 ( -6.200 -0.186 -0.094) 6.204 4.574 ( -5.621 -0.083 0.061) 5.622 4.604 ( 6.620 -0.315 -0.186) 6.631 4.623 ( -4.195 -0.094 -0.370) 4.212 4.674 ( 5.800 -0.309 0.209) 5.812 4.739 ( -3.592 0.019 0.327) 3.607 5.287 ( 15.133 -0.069 -0.045) 15.133 5.287 ( 14.516 -0.040 -0.036) 14.516 6.671 ( -2.056 0.130 -0.161) 2.067 6.699 ( 0.182 0.141 -0.083) 0.245 6.744 ( -2.542 -0.053 0.143) 2.547 6.757 ( 0.417 -0.094 0.097) 0.439 7.352 ( -0.859 -0.075 0.157) 0.877 7.353 ( -0.426 -0.295 -0.205) 0.557 7.910 ( -1.992 0.057 -0.014) 1.993 7.917 ( -2.191 0.115 0.029) 2.194 12.341 ( -0.774 -0.738 -0.186) 1.085 12.370 ( -0.113 -0.339 -0.325) 0.483 12.444 ( -2.454 0.036 -0.015) 2.454 12.639 ( 2.922 0.035 1.378) 3.231 12.700 ( 0.208 4.305 -0.669) 4.362 12.760 ( 0.343 -3.632 -0.555) 3.690 12.906 ( 0.382 0.060 -0.059) 0.391 12.938 ( 0.891 -0.154 0.117) 0.912 ======================= Grid point 366 (141/171) ======================= q-point: ( 0.70 0.40 0.30) 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 1.10e-04 1.10e-04 3.67e-09 3.67e-09 Number of triplets: 275 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.789 ( -0.000 7.407 9.606) 12.131 0.858 ( -0.000 13.369 3.482) 13.815 0.921 ( -0.000 12.113 -3.313) 12.558 0.960 ( -0.000 4.380 -10.102) 11.011 1.308 ( -0.000 14.490 6.451) 15.861 1.366 ( -0.000 5.824 -0.591) 5.854 1.417 ( -0.000 -0.675 4.311) 4.363 1.492 ( -0.000 3.622 -2.053) 4.163 1.608 ( -0.000 -3.412 -0.132) 3.415 1.658 ( -0.000 -2.646 -4.563) 5.274 1.795 ( -0.000 -1.972 0.009) 1.972 1.801 ( -0.000 -1.070 -0.927) 1.416 2.009 ( -0.000 -7.879 -0.024) 7.879 2.016 ( -0.000 -5.535 -1.355) 5.699 2.129 ( -0.000 3.089 1.232) 3.326 2.151 ( -0.000 3.400 -1.198) 3.605 2.332 ( -0.000 0.743 2.140) 2.266 2.338 ( -0.000 0.218 1.540) 1.555 2.552 ( -0.000 -2.544 2.111) 3.306 2.599 ( -0.000 -3.551 -3.379) 4.902 2.876 ( -0.000 -0.215 0.279) 0.352 2.880 ( -0.000 -0.300 -0.278) 0.409 2.997 ( 0.000 0.217 0.615) 0.653 3.010 ( 0.000 -0.146 -0.991) 1.002 4.269 ( -0.000 -2.348 0.094) 2.350 4.270 ( -0.000 -2.402 0.005) 2.402 4.463 ( -0.000 1.067 1.846) 2.132 4.494 ( -0.000 0.223 -1.737) 1.751 4.871 ( -0.000 -0.764 0.192) 0.787 4.877 ( -0.000 -1.156 -0.414) 1.228 5.730 ( 0.000 0.159 0.257) 0.302 5.733 ( 0.000 -0.059 -0.056) 0.081 6.609 ( -0.000 -0.755 0.601) 0.965 6.618 ( -0.000 -1.003 -0.444) 1.096 6.726 ( -0.000 0.722 0.318) 0.789 6.733 ( -0.000 0.529 -0.523) 0.744 7.342 ( 0.000 0.520 0.142) 0.539 7.343 ( 0.000 0.568 -0.006) 0.568 7.802 ( -0.000 -0.400 0.011) 0.400 7.802 ( -0.000 -0.413 -0.030) 0.414 12.275 ( -0.000 2.575 2.735) 3.757 12.329 ( -0.000 1.967 -3.491) 4.007 12.510 ( 0.000 -0.201 3.030) 3.037 12.568 ( -0.000 -0.323 -3.722) 3.736 12.774 ( -0.000 -0.022 1.430) 1.430 12.792 ( -0.000 0.176 -0.675) 0.697 12.900 ( -0.000 -0.026 0.654) 0.654 12.910 ( -0.000 -0.282 -0.582) 0.647 ======================= Grid point 367 (142/171) ======================= q-point: ( 0.80 0.40 0.30) 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 1.10e-04 1.10e-04 3.67e-09 3.67e-09 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.894 ( -2.557 5.031 5.474) 7.862 0.964 ( -2.184 4.490 -6.022) 7.823 1.091 ( -7.776 9.473 1.699) 12.373 1.203 ( -10.681 10.989 -0.912) 15.352 1.407 ( 0.373 -1.678 1.416) 2.227 1.438 ( -8.059 5.967 0.786) 10.058 1.528 ( -12.145 4.988 1.731) 13.243 1.549 ( -4.589 3.052 -1.825) 5.806 1.614 ( -3.698 -1.550 0.900) 4.109 1.686 ( -7.209 -4.186 -1.573) 8.484 1.724 ( 1.683 0.165 -0.805) 1.873 1.878 ( -4.680 -3.438 0.113) 5.808 1.908 ( 1.092 -4.378 -0.218) 4.518 2.053 ( -5.488 -5.065 -0.636) 7.495 2.187 ( -5.138 3.740 0.575) 6.381 2.264 ( -7.532 2.951 -0.081) 8.090 2.300 ( 2.486 0.146 0.484) 2.537 2.374 ( -1.451 0.109 0.948) 1.736 2.477 ( 5.445 -2.397 -0.310) 5.957 2.534 ( 2.223 -0.952 -0.335) 2.441 2.774 ( 8.008 -0.336 -0.285) 8.020 2.846 ( 7.207 -0.593 0.028) 7.231 2.908 ( 9.963 -0.837 -0.073) 9.999 2.924 ( 7.003 0.071 0.086) 7.004 4.305 ( -5.698 -1.838 -0.037) 5.987 4.325 ( -6.578 -1.714 0.059) 6.798 4.484 ( -2.085 0.020 0.034) 2.085 4.549 ( -4.699 1.004 0.016) 4.805 4.831 ( 3.436 -1.008 -0.059) 3.581 4.848 ( 2.526 -0.610 -0.007) 2.599 5.676 ( 5.939 -0.056 0.023) 5.940 5.681 ( 5.701 -0.035 0.030) 5.701 6.608 ( -0.809 -0.367 -0.012) 0.888 6.638 ( -2.151 -0.656 0.045) 2.249 6.720 ( 0.493 0.471 -0.079) 0.686 6.748 ( -0.724 0.340 0.019) 0.800 7.331 ( 0.345 0.234 -0.057) 0.420 7.361 ( -0.332 -0.082 0.059) 0.347 7.819 ( -2.183 -0.205 0.006) 2.193 7.822 ( -2.193 -0.130 0.014) 2.197 12.300 ( -0.402 2.096 0.711) 2.250 12.349 ( -1.360 0.661 -0.911) 1.765 12.465 ( 2.787 -2.245 -0.043) 3.579 12.601 ( -2.570 1.925 -0.265) 3.222 12.738 ( 2.680 1.394 0.474) 3.058 12.821 ( -0.784 -1.789 -0.208) 1.964 12.908 ( -0.292 -0.127 0.199) 0.376 12.916 ( -1.453 -0.046 -0.089) 1.456 ======================= Grid point 368 (143/171) ======================= q-point: (-0.10 -0.60 0.30) 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 1.10e-04 1.10e-04 3.67e-09 3.67e-09 Number of triplets: 275 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.996 ( -4.711 2.216 -0.000) 5.206 1.014 ( -0.119 2.467 -0.000) 2.470 1.169 ( 0.929 3.335 -0.000) 3.462 1.266 ( 5.977 6.753 -0.000) 9.018 1.426 ( -2.905 -0.854 0.000) 3.028 1.570 ( -2.831 -0.651 -0.000) 2.905 1.623 ( -1.114 -0.057 -0.000) 1.115 1.669 ( -0.213 -1.447 0.000) 1.463 1.714 ( -5.379 3.733 -0.000) 6.548 1.822 ( -1.761 -1.094 0.000) 2.073 1.924 ( -7.347 -1.764 -0.000) 7.555 1.991 ( -13.350 -5.177 0.000) 14.319 2.030 ( -26.990 2.630 -0.000) 27.118 2.130 ( -4.289 -1.274 0.000) 4.474 2.220 ( 3.384 -0.950 0.000) 3.515 2.354 ( -5.632 2.755 -0.000) 6.270 2.391 ( -4.223 0.412 -0.000) 4.243 2.441 ( -5.820 1.393 -0.000) 5.985 2.458 ( -7.122 2.012 -0.000) 7.401 2.551 ( -7.865 1.409 -0.000) 7.990 2.601 ( 8.941 -0.943 0.000) 8.991 2.629 ( 13.913 -1.311 0.000) 13.974 2.663 ( 14.664 -1.797 0.000) 14.773 2.780 ( 9.260 0.073 0.000) 9.261 4.421 ( -7.527 -0.951 -0.000) 7.587 4.452 ( -7.748 -0.863 -0.000) 7.796 4.543 ( -4.271 -0.230 -0.000) 4.277 4.646 ( -4.348 1.313 -0.000) 4.542 4.739 ( 5.330 -1.349 0.000) 5.498 4.776 ( 4.877 -0.381 0.000) 4.892 5.521 ( 10.913 -0.097 0.000) 10.914 5.528 ( 11.053 -0.100 0.000) 11.053 6.633 ( -1.923 -0.007 -0.000) 1.923 6.679 ( -2.304 0.091 -0.000) 2.306 6.718 ( -0.196 -0.090 0.000) 0.215 6.759 ( -0.223 0.088 -0.000) 0.240 7.335 ( -0.716 -0.181 -0.000) 0.739 7.358 ( 0.269 -0.353 0.000) 0.443 7.866 ( -2.723 0.037 -0.000) 2.723 7.870 ( -2.804 0.129 -0.000) 2.807 12.328 ( -1.164 0.263 -0.000) 1.193 12.366 ( -0.553 -0.244 0.000) 0.604 12.421 ( 0.016 -1.430 0.000) 1.430 12.657 ( -1.267 3.519 -0.000) 3.740 12.696 ( 3.054 0.731 0.000) 3.140 12.798 ( 1.006 -2.587 0.000) 2.775 12.909 ( 0.046 0.018 -0.000) 0.049 12.941 ( -0.887 -0.333 0.000) 0.947 ======================= Grid point 379 (144/171) ======================= q-point: (-0.20 -0.50 0.30) 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 1.10e-04 1.10e-04 3.67e-09 3.67e-09 Number of triplets: 155 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.869 ( -0.000 7.340 -7.742) 10.668 0.869 ( 0.000 7.340 7.742) 10.668 0.894 ( -0.000 10.992 -0.792) 11.021 0.894 ( -0.000 10.992 0.792) 11.021 1.350 ( -0.000 10.325 -3.308) 10.842 1.350 ( -0.000 10.325 3.308) 10.842 1.458 ( -0.000 1.603 -4.961) 5.214 1.458 ( 0.000 1.603 4.961) 5.214 1.624 ( -0.000 -3.063 -3.180) 4.415 1.624 ( 0.000 -3.063 3.180) 4.415 1.796 ( 0.000 -1.489 -0.066) 1.490 1.796 ( 0.000 -1.489 0.066) 1.490 2.010 ( 0.000 -6.992 -0.060) 6.993 2.010 ( 0.000 -6.992 0.060) 6.993 2.140 ( -0.000 3.475 -1.071) 3.637 2.140 ( -0.000 3.475 1.071) 3.637 2.343 ( -0.000 0.528 -0.160) 0.552 2.343 ( 0.000 0.528 0.160) 0.552 2.573 ( -0.000 -3.137 -2.833) 4.227 2.573 ( 0.000 -3.137 2.833) 4.227 2.878 ( 0.000 -0.293 -0.070) 0.301 2.878 ( 0.000 -0.293 0.070) 0.301 3.003 ( -0.000 0.051 -0.797) 0.798 3.003 ( 0.000 0.051 0.797) 0.798 4.270 ( 0.000 -2.382 -0.020) 2.382 4.270 ( 0.000 -2.382 0.020) 2.382 4.479 ( -0.000 0.673 -1.805) 1.927 4.479 ( 0.000 0.673 1.805) 1.927 4.873 ( 0.000 -0.958 -0.323) 1.011 4.873 ( 0.000 -0.958 0.323) 1.011 5.732 ( -0.000 0.053 -0.184) 0.191 5.732 ( 0.000 0.053 0.184) 0.191 6.614 ( 0.000 -0.902 -0.457) 1.011 6.614 ( 0.000 -0.902 0.457) 1.011 6.729 ( -0.000 0.638 -0.351) 0.728 6.729 ( 0.000 0.638 0.351) 0.728 7.343 ( -0.000 0.542 -0.009) 0.542 7.343 ( -0.000 0.542 0.009) 0.542 7.802 ( 0.000 -0.405 -0.011) 0.405 7.802 ( 0.000 -0.405 0.011) 0.405 12.300 ( -0.000 2.403 -3.155) 3.966 12.300 ( 0.000 2.403 3.155) 3.966 12.538 ( -0.000 -0.370 -3.336) 3.357 12.538 ( 0.000 -0.370 3.336) 3.357 12.784 ( -0.000 0.172 -0.702) 0.722 12.784 ( 0.000 0.172 0.702) 0.722 12.905 ( -0.000 -0.129 -0.646) 0.659 12.905 ( 0.000 -0.129 0.646) 0.659 ======================= Grid point 398 (145/171) ======================= q-point: ( 0.40 -0.30 0.30) 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 1.10e-04 1.10e-04 3.67e-09 3.67e-09 Number of triplets: 275 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.107 ( -7.066 -0.000 2.372) 7.453 1.146 ( -5.977 -0.000 -1.713) 6.218 1.277 ( -6.391 -0.000 0.334) 6.400 1.278 ( -5.423 0.000 0.346) 5.434 1.539 ( -0.814 -0.000 3.442) 3.537 1.594 ( 1.585 -0.000 -2.900) 3.305 1.616 ( 1.527 -0.000 1.028) 1.841 1.677 ( -1.625 -0.000 -4.897) 5.159 1.771 ( 1.827 -0.000 0.095) 1.829 1.790 ( -1.070 -0.000 -1.242) 1.639 1.994 ( 7.861 -0.000 0.723) 7.894 1.998 ( 2.417 0.000 0.868) 2.568 2.044 ( 11.264 0.000 -0.117) 11.265 2.047 ( 4.884 -0.000 0.099) 4.885 2.131 ( 9.111 -0.000 6.011) 10.915 2.179 ( 7.143 -0.000 1.723) 7.348 2.320 ( 1.903 0.000 -2.217) 2.922 2.330 ( 1.493 -0.000 -2.293) 2.736 2.422 ( -0.357 0.000 0.774) 0.852 2.445 ( -1.505 -0.000 -1.834) 2.373 2.883 ( -7.557 -0.000 0.547) 7.577 2.885 ( -7.353 0.000 0.327) 7.360 3.348 ( -24.164 -0.000 0.114) 24.165 3.352 ( -24.419 -0.000 -0.340) 24.421 4.517 ( 4.667 -0.000 1.526) 4.910 4.544 ( 4.495 -0.000 -1.613) 4.775 4.645 ( -3.618 -0.000 0.459) 3.647 4.653 ( -3.495 -0.000 -0.399) 3.518 4.723 ( -2.244 -0.000 1.853) 2.910 4.754 ( -1.850 -0.000 -1.703) 2.515 5.012 ( 14.442 -0.000 0.293) 14.445 5.016 ( 14.277 -0.000 -0.140) 14.278 6.703 ( 0.569 -0.000 0.579) 0.812 6.710 ( -0.006 -0.000 -0.164) 0.164 6.748 ( -0.834 -0.000 0.712) 1.096 6.765 ( -1.715 -0.000 -1.138) 2.058 7.363 ( -0.542 -0.000 0.420) 0.686 7.370 ( -0.899 -0.000 -0.349) 0.965 7.941 ( -1.002 -0.000 0.179) 1.018 7.944 ( -0.996 -0.000 -0.151) 1.007 12.386 ( -1.463 -0.000 1.357) 1.996 12.400 ( -0.961 -0.000 0.207) 0.983 12.473 ( 0.130 -0.000 1.017) 1.026 12.513 ( 1.424 -0.000 -3.161) 3.467 12.757 ( -0.170 0.000 1.919) 1.927 12.776 ( -0.868 -0.000 -0.209) 0.893 12.902 ( 0.818 -0.000 0.186) 0.839 12.906 ( 1.232 -0.000 -0.314) 1.271 ======================= Grid point 410 (146/171) ======================= q-point: ( 0.40 -0.20 0.30) 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 1.10e-04 1.10e-04 3.67e-09 3.67e-09 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.053 ( -0.101 1.236 2.658) 2.933 1.081 ( -0.424 1.820 -2.858) 3.415 1.147 ( -5.056 2.253 -0.098) 5.537 1.204 ( -4.496 -4.117 0.130) 6.097 1.513 ( -2.718 1.669 2.618) 4.126 1.555 ( -3.014 -0.412 -3.540) 4.668 1.654 ( 1.291 0.291 1.117) 1.732 1.660 ( 0.339 -0.330 0.187) 0.509 1.793 ( 1.460 -0.521 0.550) 1.645 1.808 ( 1.827 -0.335 -2.443) 3.069 1.975 ( -3.059 0.172 2.535) 3.976 1.998 ( -2.375 -0.422 -1.877) 3.056 2.204 ( 6.973 1.559 1.907) 7.395 2.251 ( 2.622 -2.298 -1.568) 3.823 2.296 ( 0.365 2.822 1.087) 3.046 2.327 ( 0.379 -0.961 1.435) 1.768 2.349 ( 13.360 2.296 -0.260) 13.558 2.404 ( 9.630 -3.571 -0.769) 10.299 2.470 ( 7.737 0.333 1.708) 7.931 2.493 ( 8.352 -0.044 -2.958) 8.861 2.679 ( -14.126 2.177 0.698) 14.309 2.705 ( -12.464 -0.889 0.147) 12.497 2.838 ( -28.698 0.193 0.372) 28.701 2.843 ( -27.350 0.227 -0.825) 27.363 4.555 ( -6.005 0.312 0.269) 6.020 4.565 ( -6.148 -0.673 -0.240) 6.189 4.632 ( 6.489 -0.075 1.147) 6.590 4.644 ( 6.046 -0.366 -1.139) 6.163 4.673 ( -3.913 0.028 2.027) 4.407 4.692 ( -3.786 -0.155 -2.009) 4.289 5.290 ( 14.802 -0.030 0.039) 14.802 5.291 ( 14.781 -0.037 0.040) 14.781 6.693 ( -1.925 0.281 0.826) 2.113 6.699 ( -1.453 0.270 -0.573) 1.585 6.734 ( -0.205 0.477 -0.016) 0.520 6.745 ( -0.347 -0.883 -0.232) 0.977 7.349 ( -0.622 0.519 -0.006) 0.810 7.360 ( -0.618 -0.887 0.055) 1.083 7.913 ( -2.159 0.107 0.104) 2.164 7.914 ( -2.177 0.071 -0.119) 2.181 12.366 ( -1.657 -0.355 0.960) 1.947 12.375 ( -1.411 -0.543 -0.767) 1.695 12.492 ( 0.896 -0.038 3.378) 3.495 12.524 ( 1.174 -0.154 -3.838) 4.016 12.732 ( 0.124 4.499 0.314) 4.512 12.795 ( 0.096 -3.861 0.354) 3.878 12.916 ( 0.420 0.274 0.408) 0.646 12.922 ( 0.681 -0.135 -0.494) 0.852 ======================= Grid point 411 (147/171) ======================= q-point: ( 0.50 -0.20 0.30) 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 1.10e-04 1.10e-04 3.67e-09 3.67e-09 Number of triplets: 155 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.128 ( -6.622 -0.246 0.000) 6.626 1.128 ( -6.622 0.246 -0.000) 6.626 1.279 ( -6.035 -2.545 0.000) 6.549 1.279 ( -6.035 2.545 -0.000) 6.549 1.568 ( 0.502 -0.871 0.000) 1.005 1.568 ( 0.502 0.871 -0.000) 1.005 1.638 ( 0.514 -0.037 0.000) 0.516 1.638 ( 0.514 0.037 -0.000) 0.516 1.779 ( -0.162 -1.035 0.000) 1.047 1.779 ( -0.162 1.035 -0.000) 1.047 2.000 ( 5.806 -2.668 0.000) 6.390 2.000 ( 5.806 2.668 -0.000) 6.390 2.046 ( 7.519 -0.889 0.000) 7.571 2.046 ( 7.519 0.889 0.000) 7.571 2.173 ( 8.444 -0.975 0.000) 8.500 2.173 ( 8.444 0.975 -0.000) 8.500 2.314 ( 1.560 -2.507 0.000) 2.953 2.314 ( 1.560 2.507 -0.000) 2.953 2.431 ( -1.275 -1.267 0.000) 1.798 2.431 ( -1.275 1.267 -0.000) 1.798 2.886 ( -7.401 -0.822 -0.000) 7.446 2.886 ( -7.401 0.822 -0.000) 7.446 3.349 ( -24.333 -0.118 -0.000) 24.333 3.349 ( -24.333 0.118 -0.000) 24.333 4.530 ( 4.592 -0.105 0.000) 4.593 4.530 ( 4.592 0.105 -0.000) 4.593 4.649 ( -3.554 -0.318 0.000) 3.568 4.649 ( -3.554 0.318 -0.000) 3.568 4.739 ( -2.055 -0.001 0.000) 2.055 4.739 ( -2.055 0.001 -0.000) 2.055 5.015 ( 14.362 -0.016 0.000) 14.362 5.015 ( 14.362 0.016 0.000) 14.362 6.708 ( 0.401 -0.005 0.000) 0.401 6.708 ( 0.401 0.005 -0.000) 0.401 6.755 ( -1.392 -0.300 0.000) 1.424 6.755 ( -1.392 0.300 -0.000) 1.424 7.367 ( -0.718 -0.476 0.000) 0.862 7.367 ( -0.718 0.476 -0.000) 0.862 7.943 ( -1.004 -0.000 0.000) 1.004 7.943 ( -1.004 0.000 -0.000) 1.004 12.396 ( -1.395 -0.354 0.000) 1.439 12.396 ( -1.395 0.354 -0.000) 1.439 12.489 ( 0.968 -0.299 0.000) 1.013 12.489 ( 0.968 0.299 -0.000) 1.013 12.770 ( -0.566 -3.858 0.000) 3.899 12.770 ( -0.566 3.858 -0.000) 3.899 12.904 ( 1.032 -0.013 0.000) 1.032 12.904 ( 1.032 0.013 -0.000) 1.032 ======================= Grid point 421 (148/171) ======================= q-point: ( 0.40 -0.10 0.30) 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 1.10e-04 1.10e-04 3.67e-09 3.67e-09 Number of triplets: 275 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.944 ( -6.206 9.601 -0.000) 11.432 1.058 ( 1.716 7.339 -0.000) 7.537 1.170 ( 4.700 0.721 0.000) 4.755 1.195 ( -1.239 -6.849 0.000) 6.960 1.447 ( -3.023 3.188 -0.000) 4.393 1.482 ( -4.280 0.637 -0.000) 4.327 1.673 ( 1.531 1.157 -0.000) 1.919 1.676 ( 0.425 -1.133 0.000) 1.211 1.799 ( -7.106 2.422 -0.000) 7.508 1.801 ( -3.611 -0.502 -0.000) 3.646 1.911 ( -9.032 -5.775 0.000) 10.720 1.914 ( -5.048 -2.497 0.000) 5.632 2.089 ( -22.338 1.418 -0.000) 22.383 2.115 ( -11.223 0.767 -0.000) 11.249 2.259 ( -1.288 0.286 -0.000) 1.320 2.306 ( -2.478 -1.597 0.000) 2.948 2.399 ( -7.439 2.686 -0.000) 7.909 2.446 ( -9.660 0.158 -0.000) 9.661 2.487 ( -4.160 1.993 -0.000) 4.613 2.504 ( -4.211 0.195 -0.000) 4.216 2.628 ( 12.230 -0.535 0.000) 12.241 2.652 ( 12.136 -1.448 0.000) 12.222 2.705 ( 10.450 0.424 0.000) 10.458 2.709 ( 12.080 -0.186 0.000) 12.081 4.430 ( -7.540 -0.478 -0.000) 7.555 4.443 ( -7.823 -1.225 -0.000) 7.919 4.584 ( -5.377 1.070 -0.000) 5.483 4.610 ( -4.306 -0.554 -0.000) 4.341 4.752 ( 5.701 -0.358 0.000) 5.713 4.760 ( 5.468 -0.983 0.000) 5.556 5.525 ( 10.810 -0.004 0.000) 10.810 5.526 ( 10.830 -0.115 0.000) 10.831 6.649 ( -2.437 0.478 -0.000) 2.484 6.663 ( -2.058 -0.353 -0.000) 2.088 6.732 ( 0.100 0.498 -0.000) 0.507 6.746 ( -0.148 -0.434 0.000) 0.458 7.339 ( -0.129 0.371 -0.000) 0.393 7.358 ( -0.432 -0.973 0.000) 1.064 7.866 ( -2.771 0.150 -0.000) 2.775 7.867 ( -2.796 0.012 -0.000) 2.796 12.325 ( -2.562 0.608 -0.000) 2.634 12.369 ( -0.518 -2.114 0.000) 2.176 12.513 ( -0.044 1.136 -0.000) 1.137 12.545 ( 2.682 -1.165 0.000) 2.924 12.709 ( 0.756 4.215 -0.000) 4.282 12.827 ( 0.098 -3.505 0.000) 3.506 12.911 ( -0.571 0.497 -0.000) 0.757 12.927 ( -0.406 -0.535 0.000) 0.672 ======================= Grid point 432 (149/171) ======================= q-point: ( 0.40 0.00 0.40) 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 1.10e-04 1.10e-04 3.67e-09 3.67e-09 Number of triplets: 171 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.783 ( -0.000 13.056 -0.000) 13.056 0.982 ( -0.000 11.410 -0.000) 11.410 1.133 ( -0.000 5.904 -0.000) 5.904 1.144 ( 0.000 -11.268 0.000) 11.268 1.307 ( 0.000 -0.971 0.000) 0.971 1.364 ( -0.000 12.561 -0.000) 12.561 1.404 ( 0.000 -0.874 0.000) 0.874 1.407 ( -0.000 8.360 -0.000) 8.360 1.711 ( -0.000 0.712 -0.000) 0.712 1.715 ( 0.000 -3.155 0.000) 3.155 1.761 ( 0.000 -1.372 0.000) 1.372 1.804 ( 0.000 -6.832 0.000) 6.832 1.928 ( -0.000 0.073 -0.000) 0.073 2.055 ( 0.000 -5.894 0.000) 5.894 2.111 ( -0.000 2.616 -0.000) 2.616 2.163 ( 0.000 -0.605 0.000) 0.605 2.272 ( -0.000 1.978 -0.000) 1.978 2.280 ( -0.000 0.986 -0.000) 0.986 2.515 ( -0.000 0.458 -0.000) 0.458 2.603 ( 0.000 -5.034 0.000) 5.034 2.874 ( -0.000 0.425 -0.000) 0.425 2.884 ( 0.000 -0.263 0.000) 0.263 2.996 ( -0.000 0.769 -0.000) 0.769 3.023 ( 0.000 -0.988 0.000) 0.988 4.238 ( 0.000 -1.436 0.000) 1.436 4.238 ( 0.000 -1.440 0.000) 1.440 4.454 ( -0.000 1.948 -0.000) 1.948 4.508 ( 0.000 -1.514 0.000) 1.514 4.865 ( 0.000 -0.417 0.000) 0.417 4.868 ( 0.000 -0.797 0.000) 0.797 5.727 ( -0.000 0.087 -0.000) 0.087 5.727 ( 0.000 -0.046 0.000) 0.046 6.595 ( -0.000 0.161 -0.000) 0.161 6.611 ( 0.000 -0.889 0.000) 0.889 6.733 ( -0.000 0.719 -0.000) 0.719 6.746 ( 0.000 -0.151 0.000) 0.151 7.344 ( -0.000 0.472 -0.000) 0.472 7.349 ( -0.000 0.226 -0.000) 0.226 7.797 ( 0.000 -0.242 0.000) 0.242 7.797 ( 0.000 -0.280 0.000) 0.280 12.267 ( -0.000 2.916 -0.000) 2.916 12.360 ( 0.000 -3.140 0.000) 3.140 12.516 ( -0.000 3.853 -0.000) 3.853 12.645 ( 0.000 -4.595 0.000) 4.595 12.725 ( -0.000 3.064 -0.000) 3.064 12.787 ( 0.000 -1.125 0.000) 1.125 12.888 ( -0.000 0.314 -0.000) 0.314 12.908 ( 0.000 -0.906 0.000) 0.906 ======================= Grid point 433 (150/171) ======================= q-point: ( 0.50 0.00 0.40) 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 1.10e-04 1.10e-04 3.67e-09 3.67e-09 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.926 ( -4.100 10.985 0.084) 11.725 1.078 ( -1.809 -8.526 -0.555) 8.733 1.163 ( -3.326 8.548 0.195) 9.174 1.268 ( 2.373 -3.401 1.000) 4.266 1.389 ( -13.769 7.285 -0.257) 15.580 1.438 ( -2.577 3.384 0.379) 4.270 1.477 ( -7.797 1.610 1.906) 8.186 1.514 ( -17.290 -4.535 0.246) 17.877 1.680 ( 1.040 -0.423 -3.588) 3.760 1.709 ( 1.495 -0.488 2.021) 2.561 1.778 ( -4.257 -1.373 -2.172) 4.972 1.811 ( -3.137 -2.736 2.199) 4.708 1.930 ( -0.916 3.151 -2.207) 3.954 2.007 ( -1.211 -4.431 1.241) 4.758 2.198 ( -5.863 1.921 -0.970) 6.246 2.238 ( -6.139 -1.679 1.872) 6.635 2.302 ( -2.817 0.943 0.274) 2.983 2.305 ( -2.988 0.779 0.392) 3.113 2.503 ( 1.811 0.800 -0.882) 2.167 2.529 ( 3.357 -1.793 0.206) 3.812 2.809 ( 7.084 0.176 -1.255) 7.197 2.824 ( 6.758 -0.522 0.965) 6.846 2.906 ( 9.685 0.544 -0.038) 9.701 2.917 ( 9.858 -0.730 0.044) 9.885 4.293 ( -6.336 -0.540 -0.298) 6.366 4.298 ( -6.599 -0.782 0.304) 6.652 4.504 ( -3.695 1.429 -0.537) 3.998 4.530 ( -3.514 -1.214 0.646) 3.774 4.832 ( 3.287 -0.269 -0.396) 3.322 4.836 ( 3.076 -0.360 0.334) 3.115 5.675 ( 5.673 -0.008 -0.084) 5.674 5.676 ( 5.631 -0.011 0.129) 5.633 6.613 ( -1.628 0.343 -0.207) 1.676 6.622 ( -1.748 -0.645 0.213) 1.876 6.737 ( 0.105 0.474 -0.290) 0.566 6.744 ( 0.011 -0.199 0.237) 0.309 7.343 ( 0.285 0.316 -0.302) 0.522 7.350 ( 0.034 -0.244 0.308) 0.394 7.818 ( -2.269 -0.053 -0.041) 2.270 7.818 ( -2.282 -0.083 0.064) 2.285 12.302 ( -1.240 2.428 0.242) 2.737 12.341 ( -0.492 -2.802 0.161) 2.850 12.532 ( 1.205 2.500 -2.071) 3.463 12.584 ( 2.098 -2.359 1.515) 3.502 12.746 ( 0.155 3.263 0.036) 3.266 12.793 ( -0.969 -2.934 0.098) 3.092 12.900 ( -0.848 0.479 0.071) 0.976 12.909 ( -0.816 -0.644 0.073) 1.042 ======================= Grid point 434 (151/171) ======================= q-point: ( 0.60 0.00 0.40) 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 1.10e-04 1.10e-04 3.67e-09 3.67e-09 Number of triplets: 282 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.061 ( -4.670 -0.000 -2.077) 5.111 1.080 ( -2.187 -0.000 -1.143) 2.468 1.134 ( 3.926 0.000 0.407) 3.947 1.183 ( 6.079 0.000 4.799) 7.745 1.456 ( -2.670 -0.000 -2.367) 3.568 1.518 ( -2.935 0.000 4.547) 5.412 1.650 ( 0.085 -0.000 -3.080) 3.081 1.678 ( 1.631 -0.000 -0.267) 1.653 1.800 ( -0.281 -0.000 -1.286) 1.316 1.842 ( -11.834 -0.000 -2.942) 12.194 1.845 ( -1.027 0.000 3.385) 3.538 1.889 ( -14.563 0.000 2.545) 14.784 2.104 ( -20.175 -0.000 -1.778) 20.253 2.120 ( -13.618 0.000 0.271) 13.620 2.255 ( -1.254 -0.000 -2.516) 2.811 2.304 ( -1.608 0.000 3.219) 3.598 2.430 ( -7.417 0.000 0.124) 7.418 2.438 ( -10.456 0.000 0.879) 10.493 2.483 ( -3.835 -0.000 -2.552) 4.606 2.521 ( -3.393 0.000 1.870) 3.874 2.627 ( 11.128 -0.000 -1.039) 11.177 2.633 ( 13.061 -0.000 -0.310) 13.064 2.691 ( 11.527 -0.000 -1.829) 11.672 2.728 ( 10.398 0.000 2.450) 10.683 4.425 ( -7.814 -0.000 -0.582) 7.836 4.435 ( -7.880 0.000 0.556) 7.900 4.581 ( -4.750 -0.000 -2.023) 5.163 4.617 ( -5.036 0.000 2.062) 5.442 4.744 ( 5.851 -0.000 -0.836) 5.910 4.758 ( 5.438 0.000 0.802) 5.496 5.524 ( 10.826 -0.000 -0.167) 10.827 5.526 ( 10.872 0.000 0.088) 10.872 6.649 ( -2.326 -0.000 -0.833) 2.471 6.663 ( -2.561 0.000 0.828) 2.691 6.733 ( 0.182 -0.000 -0.774) 0.795 6.746 ( 0.069 0.000 0.729) 0.732 7.343 ( -0.330 -0.000 -0.429) 0.541 7.349 ( -0.040 0.000 0.347) 0.349 7.866 ( -2.838 -0.000 -0.037) 2.838 7.868 ( -2.865 0.000 0.113) 2.867 12.338 ( -1.124 -0.000 -0.413) 1.198 12.346 ( -1.619 0.000 0.602) 1.727 12.494 ( 1.307 -0.000 -4.052) 4.257 12.566 ( 1.393 0.000 4.341) 4.559 12.765 ( 0.076 -0.000 -0.932) 0.935 12.773 ( 0.679 0.000 0.137) 0.693 12.915 ( -0.404 -0.000 -0.406) 0.573 12.924 ( -0.669 0.000 0.620) 0.912 ======================= Grid point 444 (152/171) ======================= q-point: ( 0.50 0.10 0.40) 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 1.10e-04 1.10e-04 3.67e-09 3.67e-09 Number of triplets: 275 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.791 ( -0.000 12.484 1.814) 12.615 0.986 ( -0.000 11.303 0.940) 11.342 1.129 ( -0.000 6.269 -1.033) 6.353 1.130 ( 0.000 -9.869 -3.270) 10.396 1.310 ( 0.000 -0.960 1.030) 1.408 1.380 ( -0.000 12.207 3.492) 12.696 1.384 ( -0.000 2.920 -1.121) 3.127 1.446 ( 0.000 3.753 5.428) 6.599 1.677 ( -0.000 -1.497 -4.713) 4.945 1.740 ( 0.000 -0.983 2.681) 2.855 1.741 ( -0.000 -2.913 -4.141) 5.063 1.811 ( 0.000 -4.574 0.969) 4.676 1.924 ( -0.000 -0.642 -0.842) 1.059 2.040 ( -0.000 -5.024 -3.087) 5.897 2.122 ( 0.000 2.166 2.123) 3.033 2.169 ( 0.000 -0.401 1.415) 1.470 2.279 ( 0.000 1.668 1.553) 2.279 2.284 ( 0.000 0.871 1.094) 1.399 2.514 ( -0.000 0.234 -0.210) 0.314 2.598 ( 0.000 -4.957 -1.174) 5.094 2.874 ( -0.000 0.378 -0.000) 0.378 2.884 ( -0.000 -0.259 -0.172) 0.311 2.997 ( -0.000 0.724 0.037) 0.725 3.021 ( 0.000 -0.923 -0.334) 0.982 4.238 ( 0.000 -1.447 0.024) 1.447 4.239 ( 0.000 -1.448 0.030) 1.449 4.456 ( -0.000 1.884 0.444) 1.935 4.507 ( 0.000 -1.412 -0.172) 1.422 4.865 ( 0.000 -0.405 -0.106) 0.419 4.867 ( 0.000 -0.785 -0.093) 0.790 5.727 ( 0.000 0.084 0.081) 0.117 5.728 ( 0.000 -0.060 0.123) 0.136 6.596 ( 0.000 0.122 0.116) 0.169 6.610 ( 0.000 -0.872 -0.068) 0.874 6.733 ( -0.000 0.702 0.008) 0.702 6.746 ( -0.000 -0.120 -0.156) 0.197 7.345 ( -0.000 0.453 0.095) 0.463 7.349 ( -0.000 0.230 0.016) 0.230 7.797 ( 0.000 -0.242 -0.002) 0.242 7.797 ( 0.000 -0.278 -0.008) 0.279 12.270 ( -0.000 2.903 0.756) 3.000 12.361 ( 0.000 -2.954 0.180) 2.960 12.513 ( -0.000 3.693 -0.704) 3.760 12.634 ( -0.000 -3.885 -2.364) 4.548 12.733 ( 0.000 2.382 1.757) 2.960 12.788 ( 0.000 -1.018 0.313) 1.065 12.889 ( 0.000 0.301 0.226) 0.377 12.908 ( 0.000 -0.859 -0.004) 0.859 ======================= Grid point 445 (153/171) ======================= q-point: ( 0.60 0.10 0.40) 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 1.10e-04 1.10e-04 3.67e-09 3.67e-09 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.928 ( -3.721 9.807 0.306) 10.494 1.067 ( -2.208 -8.044 -2.088) 8.599 1.170 ( -2.682 9.576 1.619) 10.075 1.283 ( 0.854 -3.806 2.235) 4.496 1.387 ( -12.856 8.083 -0.278) 15.189 1.447 ( -5.636 3.285 1.832) 6.776 1.501 ( -8.388 -0.082 2.962) 8.896 1.520 ( -12.685 -3.593 1.599) 13.281 1.645 ( 0.470 -0.783 -4.365) 4.460 1.714 ( 1.119 -0.917 -1.462) 2.057 1.763 ( -4.508 -1.086 -0.821) 4.710 1.832 ( -3.209 -1.917 2.363) 4.422 1.902 ( -0.085 1.686 -4.055) 4.393 2.019 ( -2.492 -3.211 1.194) 4.236 2.192 ( -4.984 1.303 -0.196) 5.155 2.260 ( -6.719 -0.461 2.779) 7.286 2.304 ( -2.652 0.762 0.208) 2.767 2.313 ( -2.260 0.593 1.673) 2.874 2.491 ( 2.657 0.049 -1.872) 3.251 2.530 ( 2.291 -1.233 -0.016) 2.602 2.797 ( 7.420 -0.030 -1.528) 7.576 2.832 ( 6.837 -0.319 0.751) 6.885 2.905 ( 9.953 0.180 -0.183) 9.956 2.918 ( 9.197 -0.390 0.213) 9.207 4.290 ( -6.230 -0.632 -0.336) 6.271 4.301 ( -6.692 -0.706 0.348) 6.738 4.498 ( -3.034 0.744 -0.843) 3.236 4.538 ( -4.087 -0.493 1.128) 4.269 4.828 ( 3.443 -0.328 -0.437) 3.487 4.838 ( 2.879 -0.291 0.276) 2.907 5.675 ( 5.748 -0.016 -0.036) 5.748 5.677 ( 5.632 -0.015 0.153) 5.634 6.610 ( -1.413 0.119 -0.343) 1.459 6.624 ( -1.957 -0.435 0.359) 2.037 6.734 ( 0.306 0.300 -0.452) 0.623 6.747 ( -0.212 -0.020 0.312) 0.377 7.340 ( 0.362 0.178 -0.394) 0.564 7.353 ( 0.015 -0.108 0.409) 0.424 7.817 ( -2.280 -0.069 -0.027) 2.281 7.819 ( -2.304 -0.068 0.087) 2.307 12.306 ( -1.054 2.387 0.687) 2.698 12.344 ( -0.387 -2.610 0.427) 2.673 12.507 ( 2.148 1.146 -3.394) 4.177 12.600 ( 0.248 -0.913 1.836) 2.066 12.747 ( 0.571 2.713 0.165) 2.777 12.795 ( -0.644 -2.488 0.232) 2.580 12.901 ( -0.748 0.359 0.183) 0.850 12.910 ( -0.913 -0.516 0.195) 1.066 ======================= Grid point 446 (154/171) ======================= q-point: ( 0.70 0.10 0.40) 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 1.10e-04 1.10e-04 3.67e-09 3.67e-09 Number of triplets: 275 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.043 ( -4.696 -0.000 -2.024) 5.113 1.064 ( 0.387 -0.000 -2.164) 2.198 1.148 ( 1.883 0.000 2.487) 3.120 1.226 ( 6.332 0.000 5.222) 8.207 1.442 ( -2.398 -0.000 -1.163) 2.665 1.556 ( -3.036 0.000 4.403) 5.348 1.623 ( -0.453 -0.000 -3.296) 3.327 1.669 ( 1.969 -0.000 -1.610) 2.544 1.793 ( -1.701 -0.000 -0.864) 1.908 1.819 ( -8.582 -0.000 -2.157) 8.849 1.872 ( -3.647 0.000 2.842) 4.623 1.909 ( -14.601 0.000 2.387) 14.795 2.086 ( -23.254 -0.000 -2.324) 23.370 2.121 ( -10.045 0.000 0.160) 10.046 2.236 ( -0.322 -0.000 -1.957) 1.983 2.331 ( -1.090 0.000 3.107) 3.292 2.434 ( -6.257 0.000 0.682) 6.295 2.442 ( -11.240 -0.000 -0.800) 11.268 2.465 ( -5.152 -0.000 -1.071) 5.262 2.535 ( -3.912 0.000 1.558) 4.211 2.616 ( 10.342 -0.000 -1.420) 10.439 2.629 ( 13.873 -0.000 -0.586) 13.885 2.677 ( 12.230 -0.000 -1.563) 12.329 2.748 ( 9.932 0.000 2.257) 10.185 4.420 ( -7.776 -0.000 -0.501) 7.792 4.439 ( -7.901 0.000 0.459) 7.914 4.565 ( -4.569 -0.000 -1.711) 4.879 4.633 ( -5.118 0.000 1.777) 5.418 4.737 ( 6.016 -0.000 -0.723) 6.059 4.764 ( 5.228 0.000 0.667) 5.270 5.523 ( 10.845 -0.000 -0.167) 10.846 5.527 ( 10.934 -0.000 0.038) 10.934 6.642 ( -2.210 -0.000 -0.708) 2.321 6.670 ( -2.645 0.000 0.697) 2.735 6.727 ( 0.196 -0.000 -0.672) 0.700 6.752 ( -0.006 0.000 0.601) 0.601 7.339 ( -0.444 -0.000 -0.394) 0.593 7.352 ( 0.105 0.000 0.261) 0.281 7.866 ( -2.820 0.000 -0.003) 2.820 7.869 ( -2.872 0.000 0.126) 2.875 12.334 ( -0.751 -0.000 -0.305) 0.811 12.352 ( -1.579 0.000 0.656) 1.710 12.461 ( 0.960 -0.000 -3.518) 3.647 12.602 ( 1.171 0.000 4.187) 4.348 12.755 ( 0.034 -0.000 -1.460) 1.460 12.773 ( 1.129 -0.000 -0.066) 1.131 12.912 ( -0.262 -0.000 -0.262) 0.370 12.929 ( -0.757 0.000 0.602) 0.967 ======================= Grid point 456 (155/171) ======================= q-point: ( 0.60 0.20 0.40) 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 1.10e-04 1.10e-04 3.67e-09 3.67e-09 Number of triplets: 282 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.813 ( 0.000 10.870 3.309) 11.362 0.998 ( -0.000 10.918 1.707) 11.050 1.092 ( 0.000 -6.669 -5.417) 8.592 1.117 ( -0.000 7.048 -1.735) 7.258 1.326 ( -0.000 -1.236 2.802) 3.062 1.386 ( -0.000 1.989 1.578) 2.539 1.418 ( 0.000 11.776 5.109) 12.836 1.493 ( 0.000 3.316 5.568) 6.481 1.633 ( -0.000 -2.015 -5.691) 6.037 1.699 ( -0.000 -3.798 -5.425) 6.623 1.759 ( -0.000 -0.585 1.893) 1.981 1.814 ( -0.000 -2.045 -0.206) 2.055 1.916 ( -0.000 -2.314 -0.813) 2.453 2.009 ( -0.000 -4.295 -3.996) 5.866 2.141 ( 0.000 2.340 2.357) 3.321 2.183 ( -0.000 0.258 1.507) 1.529 2.297 ( -0.000 1.009 2.559) 2.751 2.298 ( -0.000 0.501 2.112) 2.171 2.512 ( -0.000 -0.400 -0.332) 0.520 2.583 ( -0.000 -4.746 -2.157) 5.213 2.874 ( -0.000 0.256 -0.003) 0.256 2.882 ( -0.000 -0.249 -0.287) 0.379 2.997 ( 0.000 0.600 0.086) 0.606 3.018 ( 0.000 -0.748 -0.563) 0.936 4.239 ( -0.000 -1.457 0.024) 1.457 4.239 ( -0.000 -1.486 0.058) 1.487 4.461 ( -0.000 1.690 0.811) 1.874 4.505 ( -0.000 -1.120 -0.371) 1.180 4.864 ( -0.000 -0.386 -0.149) 0.414 4.866 ( -0.000 -0.747 -0.162) 0.764 5.728 ( -0.000 0.072 0.141) 0.158 5.729 ( -0.000 -0.087 0.180) 0.200 6.597 ( -0.000 0.016 0.211) 0.212 6.610 ( -0.000 -0.821 -0.135) 0.832 6.733 ( -0.000 0.651 0.031) 0.652 6.744 ( -0.000 -0.033 -0.269) 0.271 7.346 ( -0.000 0.406 0.152) 0.434 7.349 ( -0.000 0.238 0.023) 0.239 7.797 ( -0.000 -0.242 -0.002) 0.242 7.797 ( -0.000 -0.273 -0.014) 0.274 12.280 ( 0.000 2.847 1.437) 3.189 12.362 ( 0.000 -2.297 -0.010) 2.297 12.506 ( -0.000 3.101 -0.747) 3.190 12.609 ( 0.000 -2.992 -3.271) 4.433 12.750 ( -0.000 1.575 2.105) 2.629 12.791 ( -0.000 -0.737 0.396) 0.836 12.892 ( 0.000 0.259 0.397) 0.474 12.908 ( 0.000 -0.726 -0.038) 0.727 ======================= Grid point 457 (156/171) ======================= q-point: ( 0.70 0.20 0.40) 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 1.10e-04 1.10e-04 3.67e-09 3.67e-09 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.932 ( -3.148 7.654 0.622) 8.299 1.045 ( -2.440 -5.562 -3.080) 6.810 1.190 ( -2.925 9.606 2.978) 10.474 1.304 ( -0.293 -4.467 2.798) 5.279 1.384 ( -13.877 9.221 -0.506) 16.670 1.469 ( -4.405 3.360 3.107) 6.352 1.517 ( -14.887 -4.021 1.302) 15.475 1.544 ( -3.622 -1.132 3.249) 4.995 1.611 ( -0.127 -0.625 -3.385) 3.445 1.689 ( -1.824 -1.773 -3.789) 4.564 1.760 ( -2.903 0.233 -0.502) 2.955 1.850 ( -3.625 -1.143 1.787) 4.200 1.868 ( 1.185 0.030 -3.486) 3.682 2.023 ( -4.328 -2.278 -0.186) 4.895 2.197 ( -4.035 1.226 1.481) 4.469 2.281 ( -7.369 0.398 2.122) 7.679 2.305 ( -1.556 0.828 -0.088) 1.765 2.332 ( -1.638 -0.029 2.650) 3.115 2.474 ( 3.168 -0.547 -2.093) 3.836 2.528 ( 1.300 -0.978 -0.533) 1.711 2.785 ( 7.823 -0.093 -1.340) 7.938 2.836 ( 7.090 -0.274 0.352) 7.104 2.903 ( 10.298 -0.151 -0.312) 10.303 2.920 ( 8.243 -0.086 0.364) 8.252 4.288 ( -6.114 -0.674 -0.270) 6.157 4.303 ( -6.786 -0.688 0.281) 6.826 4.491 ( -2.435 0.335 -0.689) 2.553 4.548 ( -4.545 -0.023 1.045) 4.663 4.825 ( 3.564 -0.356 -0.379) 3.602 4.840 ( 2.694 -0.252 0.183) 2.712 5.675 ( 5.839 -0.025 -0.001) 5.839 5.679 ( 5.662 -0.023 0.142) 5.664 6.607 ( -1.217 -0.017 -0.299) 1.253 6.627 ( -2.146 -0.320 0.319) 2.193 6.730 ( 0.465 0.225 -0.410) 0.660 6.749 ( -0.407 0.063 0.237) 0.475 7.337 ( 0.470 0.129 -0.322) 0.584 7.356 ( -0.002 -0.064 0.339) 0.345 7.817 ( -2.301 -0.076 -0.010) 2.303 7.820 ( -2.336 -0.061 0.082) 2.339 12.313 ( -0.694 2.252 0.999) 2.559 12.348 ( -0.274 -2.129 0.540) 2.214 12.478 ( 2.636 0.332 -3.305) 4.240 12.613 ( -1.735 -0.051 1.142) 2.078 12.749 ( 1.336 1.891 0.329) 2.339 12.797 ( -0.181 -1.840 0.242) 1.865 12.903 ( -0.585 0.175 0.219) 0.649 12.912 ( -1.068 -0.317 0.247) 1.141 ======================= Grid point 458 (157/171) ======================= q-point: ( 0.80 0.20 0.40) 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 1.10e-04 1.10e-04 3.67e-09 3.67e-09 Number of triplets: 282 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.028 ( -4.659 -0.000 -1.662) 4.947 1.047 ( 1.064 -0.000 -1.623) 1.941 1.170 ( 1.867 0.000 2.535) 3.148 1.270 ( 6.870 0.000 4.990) 8.491 1.434 ( -2.300 -0.000 -0.894) 2.468 1.583 ( -3.392 0.000 0.246) 3.401 1.603 ( -0.631 0.000 0.400) 0.747 1.657 ( 1.758 -0.000 -1.170) 2.111 1.777 ( -5.207 -0.000 -2.768) 5.897 1.811 ( -2.824 0.000 0.134) 2.827 1.891 ( -8.537 0.000 1.618) 8.689 1.929 ( -12.631 0.000 2.271) 12.834 2.066 ( -26.124 -0.000 -2.158) 26.213 2.123 ( -6.889 0.000 0.240) 6.893 2.222 ( 1.339 -0.000 -1.198) 1.797 2.355 ( -0.154 0.000 2.464) 2.469 2.424 ( -9.435 -0.000 -2.765) 9.832 2.441 ( -5.600 0.000 0.902) 5.672 2.467 ( -9.049 0.000 0.799) 9.084 2.547 ( -5.141 0.000 1.324) 5.309 2.604 ( 9.722 -0.000 -1.364) 9.817 2.624 ( 14.420 -0.000 -0.549) 14.431 2.664 ( 13.323 -0.000 -1.385) 13.395 2.765 ( 9.568 0.000 1.705) 9.719 4.416 ( -7.743 -0.000 -0.367) 7.751 4.442 ( -7.914 0.000 0.323) 7.920 4.552 ( -4.401 -0.000 -1.239) 4.572 4.646 ( -5.165 0.000 1.307) 5.328 4.732 ( 6.139 -0.000 -0.532) 6.162 4.769 ( 5.050 0.000 0.475) 5.072 5.521 ( 10.878 -0.000 -0.135) 10.879 5.527 ( 11.002 -0.000 0.005) 11.002 6.637 ( -2.116 -0.000 -0.513) 2.177 6.675 ( -2.688 0.000 0.499) 2.734 6.722 ( 0.177 -0.000 -0.493) 0.523 6.756 ( -0.075 0.000 0.426) 0.432 7.336 ( -0.526 -0.000 -0.302) 0.606 7.354 ( 0.225 0.000 0.169) 0.282 7.866 ( -2.804 0.000 0.014) 2.804 7.870 ( -2.877 0.000 0.108) 2.879 12.332 ( -0.406 -0.000 -0.200) 0.453 12.357 ( -1.258 0.000 0.655) 1.418 12.435 ( 0.390 -0.000 -2.706) 2.734 12.636 ( 0.789 0.000 3.900) 3.979 12.740 ( 0.201 -0.000 -2.012) 2.022 12.772 ( 1.555 -0.000 -0.134) 1.561 12.911 ( -0.139 -0.000 -0.144) 0.200 12.934 ( -0.806 0.000 0.477) 0.936 ======================= Grid point 469 (158/171) ======================= q-point: ( 0.70 0.30 0.40) 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 1.10e-04 1.10e-04 3.67e-09 3.67e-09 Number of triplets: 275 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.846 ( -0.000 8.472 4.414) 9.553 1.013 ( -0.000 9.022 1.617) 9.166 1.043 ( -0.000 -1.893 -5.649) 5.958 1.100 ( -0.000 7.886 -2.154) 8.175 1.357 ( 0.000 -1.351 4.487) 4.686 1.408 ( -0.000 1.753 3.264) 3.705 1.461 ( -0.000 11.033 4.779) 12.024 1.537 ( -0.000 3.204 4.594) 5.600 1.582 ( -0.000 -2.648 -6.284) 6.819 1.652 ( -0.000 -3.989 -5.423) 6.732 1.772 ( -0.000 -0.249 1.270) 1.294 1.808 ( -0.000 -0.392 -1.104) 1.172 1.912 ( 0.000 -3.769 -0.251) 3.777 1.975 ( -0.000 -3.938 -3.988) 5.605 2.160 ( -0.000 2.712 2.137) 3.453 2.192 ( -0.000 1.217 0.690) 1.399 2.318 ( -0.000 0.058 2.509) 2.510 2.319 ( -0.000 0.428 2.692) 2.726 2.509 ( -0.000 -1.343 -0.181) 1.356 2.562 ( -0.000 -4.438 -2.737) 5.214 2.874 ( -0.000 0.105 0.009) 0.105 2.879 ( -0.000 -0.230 -0.311) 0.387 2.998 ( 0.000 0.423 0.164) 0.453 3.012 ( 0.000 -0.509 -0.633) 0.812 4.239 ( -0.000 -1.477 0.035) 1.477 4.239 ( 0.000 -1.519 0.041) 1.520 4.469 ( -0.000 1.369 1.040) 1.720 4.501 ( -0.000 -0.678 -0.600) 0.905 4.863 ( -0.000 -0.390 -0.110) 0.405 4.865 ( -0.000 -0.684 -0.189) 0.710 5.730 ( -0.000 0.046 0.160) 0.166 5.731 ( -0.000 -0.101 0.150) 0.181 6.599 ( 0.000 -0.136 0.272) 0.304 6.608 ( 0.000 -0.736 -0.197) 0.762 6.734 ( 0.000 0.572 0.080) 0.578 6.741 ( 0.000 0.087 -0.314) 0.326 7.347 ( 0.000 0.353 0.155) 0.385 7.350 ( 0.000 0.249 0.013) 0.249 7.797 ( -0.000 -0.244 -0.000) 0.244 7.797 ( -0.000 -0.266 -0.017) 0.267 12.294 ( 0.000 2.694 1.970) 3.338 12.359 ( 0.000 -1.040 -0.756) 1.286 12.503 ( -0.000 1.909 0.137) 1.914 12.580 ( -0.000 -2.339 -3.449) 4.168 12.767 ( 0.000 1.087 1.834) 2.131 12.794 ( 0.000 -0.362 0.188) 0.408 12.896 ( 0.000 0.179 0.477) 0.509 12.907 ( 0.000 -0.535 -0.117) 0.548 ======================= Grid point 470 (159/171) ======================= q-point: ( 0.80 0.30 0.40) 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 1.10e-04 1.10e-04 3.67e-09 3.67e-09 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.938 ( -2.533 4.778 0.917) 5.485 1.019 ( -2.673 -2.244 -2.872) 4.520 1.216 ( -3.980 9.326 2.891) 10.544 1.329 ( -0.223 -5.248 2.920) 6.010 1.378 ( -14.598 10.268 -0.732) 17.862 1.490 ( -2.403 2.438 0.930) 3.547 1.530 ( -14.648 -3.427 2.262) 15.213 1.560 ( -2.827 -3.299 0.522) 4.376 1.599 ( -0.537 0.916 0.847) 1.358 1.657 ( -4.595 -1.491 -3.659) 6.060 1.749 ( -1.189 0.854 -2.127) 2.582 1.843 ( 1.302 -0.886 -1.824) 2.410 1.866 ( -3.314 -1.206 1.455) 3.815 2.018 ( -5.888 -1.440 -0.930) 6.133 2.214 ( -4.060 1.363 2.258) 4.841 2.295 ( -7.927 0.936 0.997) 8.044 2.303 ( 0.646 0.553 -0.369) 0.927 2.355 ( -1.312 -0.279 2.533) 2.866 2.457 ( 3.247 -0.983 -1.631) 3.764 2.522 ( 0.479 -0.933 -0.806) 1.322 2.775 ( 8.170 -0.132 -0.913) 8.222 2.838 ( 7.365 -0.268 0.100) 7.371 2.901 ( 10.520 -0.275 -0.280) 10.527 2.923 ( 7.466 0.027 0.326) 7.473 4.286 ( -6.024 -0.701 -0.173) 6.067 4.305 ( -6.853 -0.683 0.179) 6.890 4.487 ( -1.997 0.114 -0.427) 2.045 4.555 ( -4.843 0.259 0.717) 4.902 4.822 ( 3.644 -0.376 -0.256) 3.672 4.841 ( 2.552 -0.222 0.100) 2.563 5.675 ( 5.920 -0.035 0.013) 5.920 5.680 ( 5.700 -0.030 0.099) 5.701 6.605 ( -1.076 -0.094 -0.196) 1.097 6.630 ( -2.279 -0.265 0.212) 2.304 6.727 ( 0.574 0.190 -0.281) 0.666 6.751 ( -0.550 0.106 0.142) 0.577 7.335 ( 0.563 0.107 -0.206) 0.609 7.359 ( -0.005 -0.046 0.218) 0.223 7.817 ( -2.324 -0.080 -0.001) 2.326 7.820 ( -2.366 -0.056 0.059) 2.368 12.322 ( -0.193 1.905 1.006) 2.163 12.352 ( -0.335 -1.178 0.455) 1.307 12.453 ( 2.916 -0.456 -2.521) 3.881 12.620 ( -3.453 0.511 0.506) 3.527 12.752 ( 2.135 1.129 0.351) 2.441 12.799 ( 0.219 -1.242 0.164) 1.272 12.905 ( -0.426 0.008 0.172) 0.460 12.914 ( -1.216 -0.132 0.205) 1.240 ======================= Grid point 471 (160/171) ======================= q-point: ( 0.90 0.30 0.40) 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 1.10e-04 1.10e-04 3.67e-09 3.67e-09 Number of triplets: 275 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.016 ( -4.602 -0.000 -0.953) 4.700 1.037 ( 1.213 -0.000 -0.829) 1.469 1.188 ( 2.309 0.000 1.594) 2.806 1.307 ( 8.039 0.000 3.656) 8.831 1.425 ( -2.979 -0.000 -1.219) 3.218 1.570 ( -2.587 -0.000 -1.656) 3.072 1.620 ( -1.853 0.000 1.887) 2.645 1.652 ( 1.387 -0.000 -0.048) 1.388 1.754 ( -4.651 -0.000 -2.312) 5.194 1.814 ( -1.411 0.000 0.323) 1.447 1.900 ( -12.717 0.000 0.602) 12.731 1.946 ( -10.719 0.000 1.514) 10.826 2.051 ( -28.288 -0.000 -1.287) 28.318 2.125 ( -5.015 0.000 0.121) 5.017 2.216 ( 3.496 -0.000 -0.392) 3.518 2.371 ( 0.848 0.000 1.345) 1.590 2.402 ( -10.116 -0.000 -1.963) 10.304 2.448 ( -5.448 0.000 0.659) 5.488 2.473 ( -10.232 0.000 0.560) 10.247 2.557 ( -7.156 0.000 0.989) 7.224 2.594 ( 9.640 -0.000 -0.990) 9.691 2.620 ( 14.709 -0.000 -0.318) 14.713 2.654 ( 14.798 -0.000 -0.911) 14.826 2.776 ( 9.335 0.000 0.912) 9.379 4.414 ( -7.720 -0.000 -0.193) 7.723 4.444 ( -7.921 0.000 0.166) 7.923 4.544 ( -4.281 -0.000 -0.650) 4.330 4.655 ( -5.187 0.000 0.694) 5.233 4.728 ( 6.215 -0.000 -0.282) 6.221 4.772 ( 4.931 0.000 0.246) 4.937 5.520 ( 10.907 -0.000 -0.075) 10.907 5.527 ( 11.054 -0.000 -0.006) 11.054 6.634 ( -2.054 -0.000 -0.270) 2.072 6.678 ( -2.694 0.000 0.258) 2.707 6.718 ( 0.141 -0.000 -0.259) 0.295 6.759 ( -0.123 0.000 0.220) 0.252 7.334 ( -0.574 -0.000 -0.164) 0.597 7.355 ( 0.304 0.000 0.082) 0.315 7.866 ( -2.792 0.000 0.013) 2.792 7.871 ( -2.879 0.000 0.063) 2.880 12.331 ( -0.164 -0.000 -0.099) 0.192 12.362 ( -0.690 0.000 0.500) 0.852 12.417 ( -0.338 -0.000 -1.570) 1.606 12.668 ( 0.155 0.000 3.481) 3.484 12.721 ( 0.693 -0.000 -2.518) 2.612 12.771 ( 1.860 -0.000 -0.096) 1.863 12.910 ( -0.056 -0.000 -0.060) 0.082 12.937 ( -0.826 0.000 0.263) 0.867 ======================= Grid point 473 (161/171) ======================= q-point: ( 0.00 -0.60 0.40) 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 1.10e-04 1.10e-04 3.67e-09 3.67e-09 Number of triplets: 171 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.012 ( -4.577 0.000 -0.000) 4.577 1.033 ( 1.235 -0.000 0.000) 1.235 1.195 ( 2.533 -0.000 0.000) 2.533 1.324 ( 9.207 -0.000 0.000) 9.207 1.418 ( -3.977 0.000 -0.000) 3.977 1.563 ( -2.665 0.000 -0.000) 2.665 1.628 ( -1.945 0.000 -0.000) 1.945 1.652 ( 1.218 -0.000 0.000) 1.218 1.743 ( -4.103 0.000 -0.000) 4.103 1.815 ( -1.157 0.000 -0.000) 1.157 1.902 ( -14.135 0.000 -0.000) 14.135 1.952 ( -10.150 0.000 -0.000) 10.150 2.046 ( -29.108 0.000 -0.000) 29.108 2.125 ( -4.482 0.000 -0.000) 4.482 2.214 ( 4.630 -0.000 0.000) 4.630 2.377 ( 1.293 -0.000 0.000) 1.293 2.394 ( -10.679 0.000 -0.000) 10.679 2.451 ( -5.476 0.000 -0.000) 5.476 2.475 ( -10.518 0.000 -0.000) 10.518 2.562 ( -8.944 0.000 -0.000) 8.944 2.589 ( 10.379 -0.000 0.000) 10.379 2.618 ( 14.795 -0.000 0.000) 14.795 2.650 ( 15.613 -0.000 0.000) 15.613 2.780 ( 9.255 -0.000 0.000) 9.255 4.413 ( -7.713 0.000 -0.000) 7.713 4.445 ( -7.923 0.000 -0.000) 7.923 4.542 ( -4.237 0.000 -0.000) 4.237 4.658 ( -5.193 0.000 -0.000) 5.193 4.727 ( 6.241 -0.000 0.000) 6.241 4.773 ( 4.889 -0.000 0.000) 4.889 5.520 ( 10.918 -0.000 0.000) 10.918 5.527 ( 11.074 -0.000 0.000) 11.074 6.632 ( -2.033 0.000 -0.000) 2.033 6.679 ( -2.691 0.000 -0.000) 2.691 6.717 ( 0.122 -0.000 0.000) 0.122 6.760 ( -0.140 0.000 -0.000) 0.140 7.333 ( -0.590 0.000 -0.000) 0.590 7.355 ( 0.332 -0.000 0.000) 0.332 7.867 ( -2.788 0.000 -0.000) 2.788 7.871 ( -2.880 0.000 -0.000) 2.880 12.331 ( -0.077 0.000 -0.000) 0.077 12.365 ( -0.315 0.000 -0.000) 0.315 12.410 ( -0.769 0.000 -0.000) 0.769 12.691 ( -2.530 0.000 -0.000) 2.530 12.701 ( 3.330 -0.000 0.000) 3.330 12.771 ( 1.971 -0.000 0.000) 1.971 12.910 ( -0.026 0.000 -0.000) 0.026 12.938 ( -0.831 0.000 -0.000) 0.831 ======================= Grid point 484 (162/171) ======================= q-point: ( 0.80 0.40 0.40) 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 1.10e-04 1.10e-04 3.67e-09 3.67e-09 Number of triplets: 282 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.886 ( -0.000 5.600 5.249) 7.676 0.985 ( -0.000 -0.579 -6.157) 6.184 1.038 ( 0.000 10.284 2.376) 10.555 1.081 ( 0.000 8.726 -2.429) 9.058 1.400 ( 0.000 -0.791 5.459) 5.516 1.437 ( 0.000 2.884 3.129) 4.256 1.492 ( -0.000 8.459 2.088) 8.713 1.529 ( -0.000 -2.674 -5.826) 6.411 1.569 ( -0.000 2.313 2.927) 3.731 1.612 ( 0.000 -2.980 -3.855) 4.873 1.781 ( 0.000 0.054 0.888) 0.890 1.798 ( -0.000 0.233 -1.248) 1.270 1.913 ( -0.000 -4.344 0.575) 4.382 1.944 ( -0.000 -3.964 -3.173) 5.077 2.177 ( 0.000 2.847 1.693) 3.312 2.194 ( 0.000 2.084 -0.247) 2.098 2.337 ( -0.000 -0.131 1.809) 1.814 2.339 ( 0.000 0.101 1.732) 1.735 2.510 ( 0.000 -2.430 0.536) 2.489 2.539 ( -0.000 -4.022 -2.656) 4.819 2.874 ( 0.000 -0.033 0.060) 0.068 2.877 ( 0.000 -0.197 -0.253) 0.320 3.000 ( 0.000 0.216 0.281) 0.354 3.007 ( 0.000 -0.254 -0.567) 0.621 4.239 ( -0.000 -1.502 0.037) 1.503 4.240 ( 0.000 -1.533 0.006) 1.533 4.478 ( -0.000 0.934 1.107) 1.448 4.495 ( -0.000 -0.145 -0.834) 0.847 4.862 ( -0.000 -0.433 -0.016) 0.433 4.863 ( 0.000 -0.601 -0.163) 0.623 5.731 ( -0.000 0.004 0.128) 0.128 5.732 ( -0.000 -0.085 0.058) 0.103 6.602 ( -0.000 -0.306 0.295) 0.425 6.606 ( -0.000 -0.618 -0.249) 0.667 6.735 ( -0.000 0.470 0.151) 0.494 6.739 ( -0.000 0.220 -0.294) 0.367 7.348 ( -0.000 0.309 0.117) 0.330 7.350 ( -0.000 0.261 -0.016) 0.262 7.797 ( -0.000 -0.247 0.004) 0.247 7.797 ( -0.000 -0.258 -0.015) 0.259 12.312 ( -0.000 2.346 2.271) 3.266 12.348 ( -0.000 0.478 -1.682) 1.749 12.510 ( -0.000 0.408 1.476) 1.532 12.552 ( 0.000 -1.695 -3.210) 3.631 12.781 ( 0.000 0.734 1.342) 1.529 12.794 ( -0.000 0.031 -0.237) 0.239 12.900 ( -0.000 0.055 0.458) 0.461 12.906 ( -0.000 -0.320 -0.235) 0.397 ======================= Grid point 485 (163/171) ======================= q-point: ( 0.90 0.40 0.40) 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 1.10e-04 1.10e-04 3.67e-09 3.67e-09 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.945 ( -1.956 1.799 0.629) 2.731 1.000 ( -3.043 0.928 -1.359) 3.460 1.234 ( -5.063 9.055 1.234) 10.447 1.349 ( 0.887 -5.761 1.520) 6.024 1.373 ( -14.849 10.840 -0.399) 18.389 1.486 ( -2.798 0.973 -0.901) 3.096 1.551 ( -9.998 -3.765 2.166) 10.900 1.563 ( -6.621 -2.711 -0.121) 7.156 1.611 ( -0.492 0.850 1.157) 1.518 1.632 ( -6.605 0.380 -1.822) 6.862 1.731 ( 1.019 0.262 -1.557) 1.879 1.834 ( 1.522 -1.588 -0.435) 2.242 1.876 ( -3.742 -0.846 0.621) 3.886 2.011 ( -6.732 -0.910 -0.510) 6.813 2.230 ( -5.337 1.677 1.253) 5.733 2.294 ( -0.930 0.975 -0.469) 1.426 2.304 ( -4.013 0.265 0.327) 4.035 2.371 ( -1.135 -0.221 1.057) 1.567 2.448 ( 3.083 -1.241 -0.600) 3.377 2.516 ( -0.043 -0.967 -0.426) 1.057 2.770 ( 8.372 -0.153 -0.324) 8.380 2.839 ( 7.527 -0.273 0.012) 7.532 2.899 ( 10.623 -0.301 -0.110) 10.627 2.925 ( 7.051 0.052 0.127) 7.052 4.285 ( -5.976 -0.715 -0.059) 6.019 4.306 ( -6.888 -0.681 0.061) 6.922 4.484 ( -1.763 0.014 -0.143) 1.769 4.559 ( -4.990 0.397 0.255) 5.012 4.820 ( 3.683 -0.388 -0.090) 3.704 4.842 ( 2.474 -0.207 0.031) 2.483 5.675 ( 5.967 -0.041 0.007) 5.968 5.680 ( 5.726 -0.033 0.035) 5.726 6.604 ( -1.002 -0.131 -0.068) 1.013 6.631 ( -2.348 -0.242 0.074) 2.361 6.725 ( 0.629 0.175 -0.100) 0.660 6.752 ( -0.625 0.124 0.047) 0.639 7.334 ( 0.616 0.097 -0.070) 0.628 7.360 ( -0.004 -0.039 0.075) 0.084 7.817 ( -2.339 -0.082 0.001) 2.340 7.821 ( -2.384 -0.053 0.021) 2.385 12.328 ( 0.290 1.370 0.462) 1.475 12.355 ( -0.618 0.042 0.183) 0.646 12.437 ( 3.118 -1.209 -0.994) 3.489 12.622 ( -4.437 0.797 0.128) 4.509 12.755 ( 2.618 0.679 0.151) 2.709 12.800 ( 0.441 -0.879 0.056) 0.985 12.906 ( -0.332 -0.085 0.065) 0.349 12.915 ( -1.302 -0.027 0.079) 1.304 ======================= Grid point 496 (164/171) ======================= q-point: (-0.10 -0.50 0.40) 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 1.10e-04 1.10e-04 3.67e-09 3.67e-09 Number of triplets: 155 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.934 ( -0.000 2.514 -5.863) 6.379 0.934 ( 0.000 2.514 5.863) 6.379 1.059 ( -0.000 9.565 -2.364) 9.853 1.059 ( -0.000 9.565 2.364) 9.853 1.442 ( -0.000 2.030 -3.150) 3.747 1.442 ( 0.000 2.030 3.150) 3.747 1.498 ( -0.000 1.089 -0.330) 1.138 1.498 ( -0.000 1.089 0.330) 1.138 1.589 ( -0.000 0.414 -1.947) 1.991 1.589 ( 0.000 0.414 1.947) 1.991 1.788 ( -0.000 0.262 -0.521) 0.583 1.788 ( 0.000 0.262 0.521) 0.583 1.923 ( 0.000 -4.250 -1.404) 4.475 1.923 ( 0.000 -4.250 1.404) 4.475 2.188 ( -0.000 2.642 -0.841) 2.773 2.188 ( -0.000 2.642 0.841) 2.773 2.346 ( 0.000 -0.063 -0.021) 0.067 2.346 ( 0.000 -0.063 0.021) 0.067 2.520 ( -0.000 -3.385 -1.658) 3.769 2.520 ( 0.000 -3.385 1.658) 3.769 2.875 ( 0.000 -0.134 -0.025) 0.137 2.875 ( 0.000 -0.134 0.025) 0.137 3.003 ( -0.000 -0.010 -0.425) 0.426 3.003 ( 0.000 -0.010 0.425) 0.426 4.239 ( 0.000 -1.524 -0.003) 1.524 4.239 ( 0.000 -1.524 0.003) 1.524 4.487 ( -0.000 0.413 -0.829) 0.926 4.487 ( 0.000 0.413 0.829) 0.926 4.862 ( 0.000 -0.510 -0.039) 0.512 4.862 ( 0.000 -0.510 0.039) 0.512 5.732 ( 0.000 -0.045 -0.032) 0.055 5.732 ( 0.000 -0.045 0.032) 0.055 6.604 ( 0.000 -0.472 -0.204) 0.514 6.604 ( 0.000 -0.472 0.204) 0.514 6.736 ( -0.000 0.351 -0.149) 0.381 6.736 ( -0.000 0.351 0.149) 0.381 7.349 ( -0.000 0.280 -0.012) 0.280 7.349 ( -0.000 0.280 0.012) 0.280 7.797 ( 0.000 -0.252 -0.002) 0.252 7.797 ( 0.000 -0.252 0.002) 0.252 12.331 ( -0.000 1.656 -2.187) 2.743 12.331 ( 0.000 1.656 2.187) 2.743 12.527 ( -0.000 -0.836 -2.125) 2.284 12.527 ( 0.000 -0.836 2.125) 2.284 12.790 ( -0.000 0.397 -0.617) 0.733 12.790 ( 0.000 0.397 0.617) 0.733 12.903 ( -0.000 -0.115 -0.363) 0.381 12.903 ( 0.000 -0.115 0.363) 0.381 ======================= Grid point 538 (165/171) ======================= q-point: ( 0.50 -0.10 0.40) 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 1.10e-04 1.10e-04 3.67e-09 3.67e-09 Number of triplets: 155 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.077 ( -4.472 -7.767 0.000) 8.963 1.077 ( -4.472 7.767 -0.000) 8.963 1.148 ( 5.914 -2.047 0.000) 6.258 1.148 ( 5.914 2.047 -0.000) 6.258 1.482 ( -2.854 -0.200 0.000) 2.861 1.482 ( -2.854 0.200 -0.000) 2.861 1.672 ( 0.837 -0.162 0.000) 0.852 1.672 ( 0.837 0.162 -0.000) 0.852 1.818 ( -0.181 -0.808 0.000) 0.828 1.818 ( -0.181 0.808 -0.000) 0.828 1.866 ( -13.452 -0.934 0.000) 13.484 1.866 ( -13.452 0.934 -0.000) 13.484 2.115 ( -17.003 -0.579 -0.000) 17.013 2.115 ( -17.003 0.579 -0.000) 17.013 2.278 ( -1.655 -0.832 0.000) 1.852 2.278 ( -1.655 0.832 -0.000) 1.852 2.432 ( -8.867 -1.573 0.000) 9.006 2.432 ( -8.867 1.573 -0.000) 9.006 2.504 ( -3.458 -0.032 0.000) 3.458 2.504 ( -3.458 0.032 -0.000) 3.458 2.633 ( 12.083 -0.892 0.000) 12.116 2.633 ( 12.083 0.892 0.000) 12.116 2.708 ( 10.940 -0.001 0.000) 10.940 2.708 ( 10.940 0.001 0.000) 10.940 4.430 ( -7.850 -0.200 0.000) 7.853 4.430 ( -7.850 0.200 -0.000) 7.853 4.599 ( -4.911 -0.243 0.000) 4.917 4.599 ( -4.911 0.243 -0.000) 4.917 4.751 ( 5.653 -0.041 0.000) 5.653 4.751 ( 5.653 0.041 0.000) 5.653 5.525 ( 10.833 -0.001 0.000) 10.833 5.525 ( 10.833 0.001 0.000) 10.833 6.656 ( -2.449 -0.176 0.000) 2.455 6.656 ( -2.449 0.176 -0.000) 2.455 6.739 ( 0.136 -0.158 0.000) 0.209 6.739 ( 0.136 0.158 -0.000) 0.209 7.346 ( -0.191 -0.438 0.000) 0.477 7.346 ( -0.191 0.438 -0.000) 0.477 7.867 ( -2.853 -0.014 -0.000) 2.853 7.867 ( -2.853 0.014 -0.000) 2.853 12.341 ( -1.442 -1.347 0.000) 1.973 12.341 ( -1.442 1.347 -0.000) 1.973 12.529 ( 1.445 -0.158 0.000) 1.453 12.529 ( 1.445 0.158 -0.000) 1.453 12.770 ( 0.305 -3.991 0.000) 4.003 12.770 ( 0.305 3.991 -0.000) 4.003 12.919 ( -0.547 -0.319 0.000) 0.633 12.919 ( -0.547 0.319 -0.000) 0.633 ======================= Grid point 550 (166/171) ======================= q-point: (-0.50 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 1.10e-04 1.10e-04 3.67e-09 3.67e-09 Number of triplets: 93 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.969 ( 0.000 -11.977 0.000) 11.977 0.969 ( -0.000 11.977 -0.000) 11.977 1.121 ( 0.000 -6.357 0.000) 6.357 1.121 ( -0.000 6.357 -0.000) 6.357 1.354 ( 0.000 -5.387 0.000) 5.387 1.354 ( -0.000 5.387 -0.000) 5.387 1.469 ( 0.000 -1.089 0.000) 1.089 1.469 ( -0.000 1.089 -0.000) 1.089 1.719 ( 0.000 -3.712 0.000) 3.712 1.719 ( -0.000 3.712 -0.000) 3.712 1.730 ( 0.000 -2.084 0.000) 2.084 1.730 ( -0.000 2.084 -0.000) 2.084 1.970 ( 0.000 -5.020 0.000) 5.020 1.970 ( -0.000 5.020 -0.000) 5.020 2.145 ( 0.000 -1.816 0.000) 1.816 2.145 ( -0.000 1.816 -0.000) 1.816 2.288 ( 0.000 -0.156 0.000) 0.156 2.288 ( -0.000 0.156 -0.000) 0.156 2.540 ( 0.000 -3.071 0.000) 3.071 2.540 ( -0.000 3.071 -0.000) 3.071 2.880 ( 0.000 -0.364 0.000) 0.364 2.880 ( -0.000 0.364 -0.000) 0.364 3.009 ( 0.000 -0.894 0.000) 0.894 3.009 ( -0.000 0.894 -0.000) 0.894 4.227 ( 0.000 -0.008 0.000) 0.008 4.227 ( -0.000 0.008 -0.000) 0.008 4.483 ( 0.000 -1.890 0.000) 1.890 4.483 ( -0.000 1.890 -0.000) 1.890 4.862 ( 0.000 -0.035 0.000) 0.035 4.862 ( -0.000 0.035 -0.000) 0.035 5.727 ( 0.000 -0.016 0.000) 0.016 5.727 ( -0.000 0.016 -0.000) 0.016 6.600 ( 0.000 -0.524 0.000) 0.524 6.600 ( -0.000 0.524 -0.000) 0.524 6.742 ( 0.000 -0.442 0.000) 0.442 6.742 ( -0.000 0.442 -0.000) 0.442 7.349 ( 0.000 -0.176 0.000) 0.176 7.349 ( -0.000 0.176 -0.000) 0.176 7.795 ( 0.000 -0.018 0.000) 0.018 7.795 ( -0.000 0.018 -0.000) 0.018 12.312 ( 0.000 -3.163 0.000) 3.163 12.312 ( -0.000 3.163 -0.000) 3.163 12.578 ( 0.000 -4.376 0.000) 4.376 12.578 ( -0.000 4.376 -0.000) 4.376 12.763 ( 0.000 -2.077 0.000) 2.077 12.763 ( -0.000 2.077 -0.000) 2.077 12.896 ( 0.000 -0.692 0.000) 0.692 12.896 ( -0.000 0.692 -0.000) 0.692 ======================= Grid point 562 (167/171) ======================= q-point: (-0.40 0.10 -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 1.10e-04 1.10e-04 3.67e-09 3.67e-09 Number of triplets: 155 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.968 ( 0.000 -11.305 -0.284) 11.308 0.968 ( -0.000 11.305 -0.284) 11.308 1.123 ( 0.000 -6.070 0.518) 6.092 1.123 ( -0.000 6.070 0.518) 6.092 1.352 ( 0.000 -5.011 -0.058) 5.011 1.352 ( -0.000 5.011 -0.058) 5.011 1.484 ( 0.000 -1.299 3.427) 3.665 1.484 ( 0.000 1.299 3.427) 3.665 1.686 ( -0.000 -2.830 -5.035) 5.775 1.686 ( -0.000 2.830 -5.035) 5.775 1.754 ( 0.000 -2.396 2.805) 3.689 1.754 ( 0.000 2.396 2.805) 3.689 1.961 ( 0.000 -4.655 -1.908) 5.031 1.961 ( -0.000 4.655 -1.908) 5.031 2.153 ( 0.000 -1.555 1.836) 2.405 2.153 ( 0.000 1.555 1.836) 2.405 2.292 ( 0.000 -0.066 0.993) 0.995 2.292 ( 0.000 0.066 0.993) 0.995 2.537 ( 0.000 -2.920 -0.849) 3.040 2.537 ( -0.000 2.920 -0.849) 3.040 2.879 ( 0.000 -0.211 -0.122) 0.244 2.879 ( -0.000 0.211 -0.122) 0.244 3.008 ( 0.000 -0.839 -0.134) 0.850 3.008 ( -0.000 0.839 -0.134) 0.850 4.227 ( 0.000 -0.000 0.010) 0.010 4.227 ( 0.000 0.000 0.010) 0.010 4.483 ( 0.000 -1.762 0.169) 1.770 4.483 ( -0.000 1.762 0.169) 1.770 4.862 ( -0.000 -0.015 -0.079) 0.080 4.862 ( -0.000 0.015 -0.079) 0.080 5.728 ( 0.000 -0.003 0.087) 0.087 5.728 ( 0.000 0.003 0.087) 0.087 6.600 ( 0.000 -0.484 0.007) 0.484 6.600 ( -0.000 0.484 0.007) 0.484 6.742 ( 0.000 -0.402 -0.063) 0.407 6.742 ( -0.000 0.402 -0.063) 0.407 7.350 ( 0.000 -0.120 0.042) 0.127 7.350 ( -0.000 0.120 0.042) 0.127 7.795 ( 0.000 -0.010 -0.004) 0.011 7.795 ( -0.000 0.010 -0.004) 0.011 12.315 ( 0.000 -3.094 0.613) 3.154 12.315 ( -0.000 3.094 0.613) 3.154 12.572 ( 0.000 -4.059 -1.284) 4.258 12.572 ( -0.000 4.059 -1.284) 4.258 12.767 ( 0.000 -1.870 0.762) 2.020 12.767 ( -0.000 1.870 0.762) 2.020 12.896 ( 0.000 -0.657 0.142) 0.672 12.896 ( -0.000 0.657 0.142) 0.672 ======================= Grid point 574 (168/171) ======================= q-point: (-0.30 0.20 -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 1.10e-04 1.10e-04 3.67e-09 3.67e-09 Number of triplets: 155 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.964 ( 0.000 -9.410 -0.562) 9.427 0.964 ( -0.000 9.410 -0.562) 9.427 1.129 ( 0.000 -5.179 0.765) 5.236 1.129 ( -0.000 5.179 0.765) 5.236 1.357 ( 0.000 -4.407 1.441) 4.637 1.357 ( -0.000 4.407 1.441) 4.637 1.521 ( 0.000 -1.629 4.839) 5.106 1.521 ( 0.000 1.629 4.839) 5.106 1.639 ( -0.000 -2.946 -5.965) 6.652 1.639 ( -0.000 2.946 -5.965) 6.652 1.773 ( 0.000 -2.105 1.860) 2.809 1.773 ( 0.000 2.105 1.860) 2.809 1.941 ( -0.000 -3.847 -2.768) 4.739 1.941 ( -0.000 3.847 -2.768) 4.739 2.172 ( 0.000 -1.222 2.451) 2.739 2.172 ( 0.000 1.222 2.451) 2.739 2.304 ( 0.000 -0.008 1.798) 1.798 2.304 ( 0.000 0.008 1.798) 1.798 2.527 ( -0.000 -2.474 -1.538) 2.913 2.527 ( -0.000 2.474 -1.538) 2.913 2.878 ( -0.000 -0.087 -0.201) 0.219 2.878 ( -0.000 0.087 -0.201) 0.219 3.007 ( 0.000 -0.690 -0.214) 0.722 3.007 ( -0.000 0.690 -0.214) 0.722 4.227 ( 0.000 -0.000 0.016) 0.016 4.227 ( 0.000 0.000 0.016) 0.016 4.485 ( 0.000 -1.393 0.274) 1.419 4.485 ( -0.000 1.393 0.274) 1.419 4.861 ( -0.000 -0.011 -0.126) 0.127 4.861 ( -0.000 0.011 -0.126) 0.127 5.729 ( 0.000 -0.001 0.139) 0.139 5.729 ( 0.000 0.001 0.139) 0.139 6.600 ( 0.000 -0.373 0.011) 0.373 6.600 ( -0.000 0.373 0.011) 0.373 6.741 ( 0.000 -0.295 -0.102) 0.312 6.741 ( -0.000 0.295 -0.102) 0.312 7.350 ( 0.000 -0.055 0.067) 0.086 7.350 ( 0.000 0.055 0.067) 0.086 7.795 ( 0.000 -0.004 -0.006) 0.007 7.795 ( 0.000 0.004 -0.006) 0.007 12.322 ( 0.000 -2.852 1.067) 3.045 12.322 ( -0.000 2.852 1.067) 3.045 12.557 ( -0.000 -3.260 -2.019) 3.834 12.557 ( -0.000 3.260 -2.019) 3.834 12.775 ( 0.000 -1.396 1.101) 1.778 12.775 ( 0.000 1.396 1.101) 1.778 12.898 ( 0.000 -0.556 0.230) 0.601 12.898 ( -0.000 0.556 0.230) 0.601 ======================= Grid point 587 (169/171) ======================= q-point: (-0.20 0.30 -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 1.10e-04 1.10e-04 3.67e-09 3.67e-09 Number of triplets: 155 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.959 ( 0.000 -6.628 -0.662) 6.661 0.959 ( -0.000 6.628 -0.662) 6.661 1.135 ( 0.000 -3.683 0.661) 3.742 1.135 ( -0.000 3.683 0.661) 3.742 1.379 ( 0.000 -3.809 3.558) 5.212 1.379 ( 0.000 3.809 3.558) 5.212 1.559 ( 0.000 -2.111 2.764) 3.477 1.559 ( 0.000 2.111 2.764) 3.477 1.589 ( -0.000 -3.919 -4.745) 6.154 1.589 ( -0.000 3.919 -4.745) 6.154 1.785 ( 0.000 -1.439 1.059) 1.787 1.785 ( 0.000 1.439 1.059) 1.787 1.917 ( -0.000 -2.711 -2.664) 3.801 1.917 ( -0.000 2.711 -2.664) 3.801 2.191 ( 0.000 -0.873 2.029) 2.209 2.191 ( 0.000 0.873 2.029) 2.209 2.321 ( 0.000 -0.044 2.142) 2.142 2.321 ( 0.000 0.044 2.142) 2.142 2.512 ( -0.000 -1.755 -1.838) 2.541 2.512 ( -0.000 1.755 -1.838) 2.541 2.876 ( 0.000 -0.030 -0.206) 0.208 2.876 ( 0.000 0.030 -0.206) 0.208 3.005 ( 0.000 -0.473 -0.210) 0.518 3.005 ( -0.000 0.473 -0.210) 0.518 4.228 ( 0.000 -0.001 0.015) 0.015 4.228 ( 0.000 0.001 0.015) 0.015 4.488 ( 0.000 -0.843 0.274) 0.887 4.488 ( -0.000 0.843 0.274) 0.887 4.860 ( -0.000 -0.008 -0.125) 0.125 4.860 ( -0.000 0.008 -0.125) 0.125 5.730 ( 0.000 -0.004 0.137) 0.137 5.730 ( 0.000 0.004 0.137) 0.137 6.600 ( 0.000 -0.215 0.011) 0.215 6.600 ( -0.000 0.215 0.011) 0.215 6.740 ( 0.000 -0.158 -0.101) 0.187 6.740 ( -0.000 0.158 -0.101) 0.187 7.351 ( 0.000 -0.020 0.065) 0.068 7.351 ( 0.000 0.020 0.065) 0.068 7.795 ( 0.000 -0.002 -0.006) 0.006 7.795 ( 0.000 0.002 -0.006) 0.006 12.332 ( 0.000 -2.326 1.189) 2.612 12.332 ( 0.000 2.326 1.189) 2.612 12.540 ( -0.000 -2.137 -2.021) 2.941 12.540 ( -0.000 2.137 -2.021) 2.941 12.784 ( 0.000 -0.852 0.982) 1.300 12.784 ( 0.000 0.852 0.982) 1.300 12.900 ( 0.000 -0.399 0.230) 0.461 12.900 ( 0.000 0.399 0.230) 0.461 ======================= Grid point 600 (170/171) ======================= q-point: (-0.10 0.40 -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 1.10e-04 1.10e-04 3.67e-09 3.67e-09 Number of triplets: 155 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.954 ( 0.000 -3.328 -0.448) 3.358 0.954 ( -0.000 3.328 -0.448) 3.358 1.139 ( 0.000 -1.698 0.357) 1.735 1.139 ( -0.000 1.698 0.357) 1.735 1.416 ( 0.000 -3.112 5.314) 6.158 1.416 ( 0.000 3.112 5.314) 6.158 1.524 ( -0.000 -1.696 -6.614) 6.828 1.524 ( -0.000 1.696 -6.614) 6.828 1.599 ( 0.000 -0.009 2.762) 2.762 1.599 ( 0.000 0.009 2.762) 2.762 1.792 ( 0.000 -0.500 0.436) 0.664 1.792 ( 0.000 0.500 0.436) 0.664 1.898 ( 0.000 -1.144 -1.701) 2.050 1.898 ( -0.000 1.144 -1.701) 2.050 2.205 ( 0.000 -0.360 1.096) 1.154 2.205 ( 0.000 0.360 1.096) 1.154 2.337 ( 0.000 -0.027 1.597) 1.597 2.337 ( 0.000 0.027 1.597) 1.597 2.498 ( -0.000 -0.780 -1.384) 1.588 2.498 ( -0.000 0.780 -1.384) 1.588 2.874 ( 0.000 -0.006 -0.130) 0.130 2.874 ( 0.000 0.006 -0.130) 0.130 3.003 ( -0.000 -0.217 -0.128) 0.252 3.003 ( -0.000 0.217 -0.128) 0.252 4.228 ( 0.000 -0.000 0.009) 0.009 4.228 ( 0.000 0.000 0.009) 0.009 4.490 ( 0.000 -0.270 0.170) 0.319 4.490 ( 0.000 0.270 0.170) 0.319 4.859 ( 0.000 -0.003 -0.076) 0.076 4.859 ( 0.000 0.003 -0.076) 0.076 5.731 ( 0.000 -0.003 0.084) 0.084 5.731 ( 0.000 0.003 0.084) 0.084 6.600 ( 0.000 -0.065 0.006) 0.065 6.600 ( 0.000 0.065 0.006) 0.065 6.739 ( 0.000 -0.044 -0.062) 0.076 6.739 ( 0.000 0.044 -0.062) 0.076 7.351 ( 0.000 -0.004 0.040) 0.040 7.351 ( 0.000 0.004 0.040) 0.040 7.795 ( 0.000 -0.000 -0.004) 0.004 7.795 ( 0.000 0.000 -0.004) 0.004 12.341 ( 0.000 -1.350 0.820) 1.580 12.341 ( 0.000 1.350 0.820) 1.580 12.525 ( -0.000 -0.787 -1.287) 1.509 12.525 ( -0.000 0.787 -1.287) 1.509 12.791 ( 0.000 -0.317 0.561) 0.644 12.791 ( 0.000 0.317 0.561) 0.644 12.902 ( 0.000 -0.201 0.143) 0.247 12.902 ( 0.000 0.201 0.143) 0.247 ======================= Grid point 602 (171/171) ======================= q-point: ( 0.00 0.50 -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 1.10e-04 1.10e-04 3.67e-09 3.67e-09 Number of triplets: 93 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.952 ( 0.000 0.000 0.000) 0.000 0.952 ( 0.000 0.000 0.000) 0.000 1.141 ( 0.000 0.000 -0.000) 0.000 1.141 ( 0.000 0.000 -0.000) 0.000 1.460 ( 0.000 0.000 -0.000) 0.000 1.460 ( 0.000 0.000 -0.000) 0.000 1.475 ( 0.000 0.000 0.000) 0.000 1.475 ( 0.000 0.000 0.000) 0.000 1.612 ( 0.000 0.000 -0.000) 0.000 1.612 ( 0.000 0.000 -0.000) 0.000 1.793 ( 0.000 0.000 -0.000) 0.000 1.793 ( 0.000 0.000 -0.000) 0.000 1.891 ( 0.000 0.000 -0.000) 0.000 1.891 ( 0.000 0.000 -0.000) 0.000 2.210 ( 0.000 0.000 -0.000) 0.000 2.210 ( 0.000 0.000 -0.000) 0.000 2.345 ( 0.000 0.000 -0.000) 0.000 2.345 ( 0.000 0.000 -0.000) 0.000 2.491 ( 0.000 0.000 -0.000) 0.000 2.491 ( 0.000 0.000 -0.000) 0.000 2.874 ( 0.000 0.000 -0.000) 0.000 2.874 ( 0.000 0.000 -0.000) 0.000 3.003 ( 0.000 0.000 -0.000) 0.000 3.003 ( 0.000 0.000 -0.000) 0.000 4.228 ( 0.000 0.000 -0.000) 0.000 4.228 ( 0.000 0.000 -0.000) 0.000 4.490 ( 0.000 0.000 -0.000) 0.000 4.490 ( 0.000 0.000 -0.000) 0.000 4.858 ( 0.000 0.000 -0.000) 0.000 4.858 ( 0.000 0.000 -0.000) 0.000 5.731 ( 0.000 0.000 -0.000) 0.000 5.731 ( 0.000 0.000 -0.000) 0.000 6.601 ( 0.000 0.000 -0.000) 0.000 6.601 ( 0.000 0.000 -0.000) 0.000 6.739 ( 0.000 0.000 -0.000) 0.000 6.739 ( 0.000 0.000 -0.000) 0.000 7.351 ( 0.000 0.000 -0.000) 0.000 7.351 ( 0.000 0.000 -0.000) 0.000 7.795 ( 0.000 0.000 -0.000) 0.000 7.795 ( 0.000 0.000 -0.000) 0.000 12.345 ( 0.000 0.000 -0.000) 0.000 12.345 ( 0.000 0.000 -0.000) 0.000 12.520 ( 0.000 0.000 -0.000) 0.000 12.520 ( 0.000 0.000 -0.000) 0.000 12.793 ( 0.000 0.000 -0.000) 0.000 12.793 ( 0.000 0.000 -0.000) 0.000 12.902 ( 0.000 0.000 -0.000) 0.000 12.902 ( 0.000 0.000 -0.000) 0.000 =================== End of collection of collisions =================== ----------- Thermal conductivity (W/m-k) with tetrahedron method ----------- # T(K) xx yy zz yz xz xy #ipm 0.0 0.000 0.000 0.000 0.000 0.000 0.000 3/48000 10.0 62.109 66.062 53.500 0.000 0.000 -0.000 3/48000 20.0 19.368 11.326 8.367 0.000 0.000 -0.000 3/48000 30.0 11.906 5.370 3.908 0.000 0.000 -0.000 3/48000 40.0 9.191 3.521 2.551 0.000 0.000 -0.000 3/48000 50.0 7.635 2.635 1.906 0.000 0.000 -0.000 3/48000 60.0 6.563 2.113 1.526 0.000 0.000 -0.000 3/48000 70.0 5.760 1.767 1.276 0.000 0.000 -0.000 3/48000 80.0 5.131 1.521 1.097 0.000 0.000 -0.000 3/48000 90.0 4.623 1.337 0.964 0.000 0.000 -0.000 3/48000 100.0 4.205 1.194 0.860 0.000 0.000 -0.000 3/48000 110.0 3.855 1.080 0.777 0.000 0.000 -0.000 3/48000 120.0 3.557 0.986 0.710 0.000 0.000 -0.000 3/48000 130.0 3.301 0.908 0.653 0.000 0.000 -0.000 3/48000 140.0 3.079 0.842 0.605 0.000 0.000 -0.000 3/48000 150.0 2.884 0.786 0.564 0.000 0.000 -0.000 3/48000 160.0 2.712 0.737 0.528 0.000 0.000 -0.000 3/48000 170.0 2.559 0.694 0.497 0.000 0.000 -0.000 3/48000 180.0 2.423 0.657 0.469 0.000 0.000 -0.000 3/48000 190.0 2.300 0.623 0.444 0.000 0.000 -0.000 3/48000 200.0 2.189 0.593 0.422 0.000 0.000 -0.000 3/48000 210.0 2.088 0.565 0.402 0.000 0.000 -0.000 3/48000 220.0 1.996 0.541 0.384 0.000 0.000 -0.000 3/48000 230.0 1.912 0.518 0.368 0.000 0.000 -0.000 3/48000 240.0 1.834 0.498 0.353 0.000 0.000 -0.000 3/48000 250.0 1.763 0.479 0.339 0.000 0.000 -0.000 3/48000 260.0 1.696 0.461 0.326 0.000 0.000 -0.000 3/48000 270.0 1.635 0.445 0.314 0.000 0.000 -0.000 3/48000 280.0 1.578 0.430 0.303 0.000 0.000 -0.000 3/48000 290.0 1.525 0.416 0.293 0.000 0.000 -0.000 3/48000 300.0 1.475 0.403 0.283 0.000 0.000 -0.000 3/48000 310.0 1.428 0.391 0.274 0.000 0.000 -0.000 3/48000 320.0 1.384 0.379 0.266 0.000 0.000 -0.000 3/48000 330.0 1.343 0.368 0.258 0.000 0.000 -0.000 3/48000 340.0 1.304 0.358 0.251 0.000 0.000 -0.000 3/48000 350.0 1.268 0.349 0.244 0.000 0.000 -0.000 3/48000 360.0 1.233 0.339 0.237 0.000 0.000 -0.000 3/48000 370.0 1.200 0.331 0.231 0.000 0.000 -0.000 3/48000 380.0 1.169 0.323 0.225 0.000 0.000 -0.000 3/48000 390.0 1.140 0.315 0.219 0.000 0.000 -0.000 3/48000 400.0 1.112 0.308 0.214 0.000 0.000 -0.000 3/48000 410.0 1.085 0.301 0.209 0.000 0.000 -0.000 3/48000 420.0 1.060 0.294 0.204 0.000 0.000 -0.000 3/48000 430.0 1.035 0.287 0.199 0.000 0.000 -0.000 3/48000 440.0 1.012 0.281 0.195 0.000 0.000 -0.000 3/48000 450.0 0.990 0.275 0.191 0.000 0.000 -0.000 3/48000 460.0 0.969 0.270 0.187 0.000 0.000 -0.000 3/48000 470.0 0.948 0.265 0.183 0.000 0.000 -0.000 3/48000 480.0 0.929 0.259 0.179 0.000 0.000 -0.000 3/48000 490.0 0.910 0.254 0.176 0.000 0.000 -0.000 3/48000 500.0 0.892 0.250 0.172 0.000 0.000 -0.000 3/48000 510.0 0.875 0.245 0.169 0.000 0.000 -0.000 3/48000 520.0 0.858 0.241 0.166 0.000 0.000 -0.000 3/48000 530.0 0.842 0.236 0.163 0.000 0.000 -0.000 3/48000 540.0 0.827 0.232 0.160 0.000 0.000 -0.000 3/48000 550.0 0.812 0.228 0.157 0.000 0.000 -0.000 3/48000 560.0 0.798 0.225 0.154 0.000 0.000 -0.000 3/48000 570.0 0.784 0.221 0.152 0.000 0.000 -0.000 3/48000 580.0 0.770 0.217 0.149 0.000 0.000 -0.000 3/48000 590.0 0.757 0.214 0.147 0.000 0.000 -0.000 3/48000 600.0 0.745 0.211 0.144 0.000 0.000 -0.000 3/48000 610.0 0.733 0.207 0.142 0.000 0.000 -0.000 3/48000 620.0 0.721 0.204 0.140 0.000 0.000 -0.000 3/48000 630.0 0.710 0.201 0.137 0.000 0.000 -0.000 3/48000 640.0 0.699 0.198 0.135 0.000 0.000 -0.000 3/48000 650.0 0.688 0.195 0.133 0.000 0.000 -0.000 3/48000 660.0 0.678 0.193 0.131 0.000 0.000 -0.000 3/48000 670.0 0.668 0.190 0.129 0.000 0.000 -0.000 3/48000 680.0 0.658 0.187 0.128 0.000 0.000 -0.000 3/48000 690.0 0.649 0.185 0.126 0.000 0.000 -0.000 3/48000 700.0 0.639 0.182 0.124 0.000 0.000 -0.000 3/48000 710.0 0.631 0.180 0.122 0.000 0.000 -0.000 3/48000 720.0 0.622 0.178 0.121 0.000 0.000 -0.000 3/48000 730.0 0.613 0.175 0.119 0.000 0.000 -0.000 3/48000 740.0 0.605 0.173 0.118 0.000 0.000 -0.000 3/48000 750.0 0.597 0.171 0.116 0.000 0.000 -0.000 3/48000 760.0 0.589 0.169 0.114 0.000 0.000 -0.000 3/48000 770.0 0.582 0.167 0.113 0.000 0.000 -0.000 3/48000 780.0 0.574 0.165 0.112 0.000 0.000 -0.000 3/48000 790.0 0.567 0.163 0.110 0.000 0.000 -0.000 3/48000 800.0 0.560 0.161 0.109 0.000 0.000 -0.000 3/48000 810.0 0.553 0.159 0.108 0.000 0.000 -0.000 3/48000 820.0 0.547 0.157 0.106 0.000 0.000 -0.000 3/48000 830.0 0.540 0.156 0.105 0.000 0.000 -0.000 3/48000 840.0 0.534 0.154 0.104 0.000 0.000 -0.000 3/48000 850.0 0.528 0.152 0.103 0.000 0.000 -0.000 3/48000 860.0 0.521 0.150 0.101 0.000 0.000 -0.000 3/48000 870.0 0.516 0.149 0.100 0.000 0.000 -0.000 3/48000 880.0 0.510 0.147 0.099 0.000 0.000 -0.000 3/48000 890.0 0.504 0.146 0.098 0.000 0.000 -0.000 3/48000 900.0 0.498 0.144 0.097 0.000 0.000 -0.000 3/48000 910.0 0.493 0.143 0.096 0.000 0.000 -0.000 3/48000 920.0 0.488 0.141 0.095 0.000 0.000 -0.000 3/48000 930.0 0.483 0.140 0.094 0.000 0.000 -0.000 3/48000 940.0 0.477 0.138 0.093 0.000 0.000 -0.000 3/48000 950.0 0.472 0.137 0.092 0.000 0.000 -0.000 3/48000 960.0 0.468 0.136 0.091 0.000 0.000 -0.000 3/48000 970.0 0.463 0.134 0.090 0.000 0.000 -0.000 3/48000 980.0 0.458 0.133 0.089 0.000 0.000 -0.000 3/48000 990.0 0.454 0.132 0.088 0.000 0.000 -0.000 3/48000 1000.0 0.449 0.131 0.088 0.000 0.000 -0.000 3/48000 Thermal conductivity related properties were written into "kappa-m101010.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 00:04:05]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|