----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-08 05:32:03]------------------------- 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 3 1] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: Pnma (62) Number of symmetry operations in supercell: 48 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 7.951794750000000 0.000000000000000 0.000000000000000 b 0.000000000000000 4.153403370000001 0.000000000000000 c 0.000000000000000 0.000000000000000 8.441643010000000 Atomic positions (fractional): *1 H 0.46161043188963 0.55608937120054 0.73939520637614 1.008 2 H 0.53838956811037 0.05608937120054 0.26060479362386 1.008 3 H 0.96161043188963 0.94391062879946 0.76060479362386 1.008 4 H 0.03838956811037 0.44391062879946 0.23939520637614 1.008 5 H 0.53838956811037 0.44391062879946 0.26060479362386 1.008 6 H 0.46161043188963 0.94391062879946 0.73939520637614 1.008 7 H 0.03838956811037 0.05608937120054 0.23939520637614 1.008 8 H 0.96161043188963 0.55608937120054 0.76060479362386 1.008 *9 O 0.99082492506065 0.75000000000000 0.69402178167301 15.999 10 O 0.00917507493935 0.25000000000000 0.30597821832699 15.999 11 O 0.49082492506065 0.75000000000000 0.80597821832699 15.999 12 O 0.50917507493935 0.25000000000000 0.19402178167301 15.999 *13 F 0.59461411973463 0.75000000000000 0.35435696326213 18.998 14 F 0.40538588026537 0.25000000000000 0.64564303673787 18.998 15 F 0.09461411973463 0.75000000000000 0.14564303673787 18.998 16 F 0.90538588026537 0.25000000000000 0.85435696326213 18.998 *17 Rb 0.75435596784041 0.75000000000000 0.03846659849599 85.468 18 Rb 0.24564403215959 0.25000000000000 0.96153340150401 85.468 19 Rb 0.25435596784041 0.75000000000000 0.46153340150401 85.468 20 Rb 0.74564403215959 0.25000000000000 0.53846659849599 85.468 -------------------------------- unit cell --------------------------------- Lattice vectors: a 7.951794750000000 0.000000000000000 0.000000000000000 b 0.000000000000000 4.153403370000001 0.000000000000000 c 0.000000000000000 0.000000000000000 8.441643010000000 Atomic positions (fractional): *1 H 0.46161043188963 0.55608937120054 0.73939520637614 1.008 > 1 2 H 0.53838956811037 0.05608937120054 0.26060479362386 1.008 > 2 3 H 0.96161043188963 0.94391062879946 0.76060479362386 1.008 > 3 4 H 0.03838956811037 0.44391062879946 0.23939520637614 1.008 > 4 5 H 0.53838956811037 0.44391062879946 0.26060479362386 1.008 > 5 6 H 0.46161043188963 0.94391062879946 0.73939520637614 1.008 > 6 7 H 0.03838956811037 0.05608937120054 0.23939520637614 1.008 > 7 8 H 0.96161043188963 0.55608937120054 0.76060479362386 1.008 > 8 *9 O 0.99082492506065 0.75000000000000 0.69402178167301 15.999 > 9 10 O 0.00917507493935 0.25000000000000 0.30597821832699 15.999 > 10 11 O 0.49082492506065 0.75000000000000 0.80597821832699 15.999 > 11 12 O 0.50917507493935 0.25000000000000 0.19402178167301 15.999 > 12 *13 F 0.59461411973463 0.75000000000000 0.35435696326213 18.998 > 13 14 F 0.40538588026537 0.25000000000000 0.64564303673787 18.998 > 14 15 F 0.09461411973463 0.75000000000000 0.14564303673787 18.998 > 15 16 F 0.90538588026537 0.25000000000000 0.85435696326213 18.998 > 16 *17 Rb 0.75435596784041 0.75000000000000 0.03846659849599 85.468 > 17 18 Rb 0.24564403215959 0.25000000000000 0.96153340150401 85.468 > 18 19 Rb 0.25435596784041 0.75000000000000 0.46153340150401 85.468 > 19 20 Rb 0.74564403215959 0.25000000000000 0.53846659849599 85.468 > 20 -------------------------------- super cell -------------------------------- Lattice vectors: a 15.903589500000001 0.000000000000000 0.000000000000000 b 0.000000000000000 12.460210110000004 0.000000000000000 c 0.000000000000000 0.000000000000000 8.441643010000000 Atomic positions (fractional): *1 H 0.23080521594481 0.18536312373351 0.73939520637614 1.008 > 1 2 H 0.73080521594481 0.18536312373351 0.73939520637614 1.008 > 1 3 H 0.23080521594481 0.51869645706685 0.73939520637614 1.008 > 1 4 H 0.73080521594481 0.51869645706685 0.73939520637614 1.008 > 1 5 H 0.23080521594481 0.85202979040018 0.73939520637614 1.008 > 1 6 H 0.73080521594481 0.85202979040018 0.73939520637614 1.008 > 1 7 H 0.26919478405519 0.01869645706685 0.26060479362386 1.008 > 2 8 H 0.76919478405519 0.01869645706685 0.26060479362386 1.008 > 2 9 H 0.26919478405519 0.35202979040018 0.26060479362386 1.008 > 2 10 H 0.76919478405519 0.35202979040018 0.26060479362386 1.008 > 2 11 H 0.26919478405519 0.68536312373351 0.26060479362386 1.008 > 2 12 H 0.76919478405519 0.68536312373351 0.26060479362386 1.008 > 2 13 H 0.48080521594481 0.31463687626649 0.76060479362386 1.008 > 3 14 H 0.98080521594481 0.31463687626649 0.76060479362386 1.008 > 3 15 H 0.48080521594481 0.64797020959982 0.76060479362386 1.008 > 3 16 H 0.98080521594481 0.64797020959982 0.76060479362386 1.008 > 3 17 H 0.48080521594481 0.98130354293315 0.76060479362386 1.008 > 3 18 H 0.98080521594481 0.98130354293315 0.76060479362386 1.008 > 3 19 H 0.01919478405519 0.14797020959982 0.23939520637614 1.008 > 4 20 H 0.51919478405519 0.14797020959982 0.23939520637614 1.008 > 4 21 H 0.01919478405519 0.48130354293315 0.23939520637614 1.008 > 4 22 H 0.51919478405519 0.48130354293315 0.23939520637614 1.008 > 4 23 H 0.01919478405519 0.81463687626649 0.23939520637614 1.008 > 4 24 H 0.51919478405519 0.81463687626649 0.23939520637614 1.008 > 4 25 H 0.26919478405519 0.14797020959982 0.26060479362386 1.008 > 5 26 H 0.76919478405519 0.14797020959982 0.26060479362386 1.008 > 5 27 H 0.26919478405519 0.48130354293315 0.26060479362386 1.008 > 5 28 H 0.76919478405519 0.48130354293315 0.26060479362386 1.008 > 5 29 H 0.26919478405519 0.81463687626649 0.26060479362386 1.008 > 5 30 H 0.76919478405519 0.81463687626649 0.26060479362386 1.008 > 5 31 H 0.23080521594481 0.31463687626649 0.73939520637614 1.008 > 6 32 H 0.73080521594481 0.31463687626649 0.73939520637614 1.008 > 6 33 H 0.23080521594481 0.64797020959982 0.73939520637614 1.008 > 6 34 H 0.73080521594481 0.64797020959982 0.73939520637614 1.008 > 6 35 H 0.23080521594481 0.98130354293315 0.73939520637614 1.008 > 6 36 H 0.73080521594481 0.98130354293315 0.73939520637614 1.008 > 6 37 H 0.01919478405519 0.01869645706685 0.23939520637614 1.008 > 7 38 H 0.51919478405519 0.01869645706685 0.23939520637614 1.008 > 7 39 H 0.01919478405519 0.35202979040018 0.23939520637614 1.008 > 7 40 H 0.51919478405519 0.35202979040018 0.23939520637614 1.008 > 7 41 H 0.01919478405519 0.68536312373351 0.23939520637614 1.008 > 7 42 H 0.51919478405519 0.68536312373351 0.23939520637614 1.008 > 7 43 H 0.48080521594481 0.18536312373351 0.76060479362386 1.008 > 8 44 H 0.98080521594481 0.18536312373351 0.76060479362386 1.008 > 8 45 H 0.48080521594481 0.51869645706685 0.76060479362386 1.008 > 8 46 H 0.98080521594481 0.51869645706685 0.76060479362386 1.008 > 8 47 H 0.48080521594481 0.85202979040018 0.76060479362386 1.008 > 8 48 H 0.98080521594481 0.85202979040018 0.76060479362386 1.008 > 8 *49 O 0.49541246253033 0.25000000000000 0.69402178167301 15.999 > 9 50 O 0.99541246253033 0.25000000000000 0.69402178167301 15.999 > 9 51 O 0.49541246253033 0.58333333333333 0.69402178167301 15.999 > 9 52 O 0.99541246253033 0.58333333333333 0.69402178167301 15.999 > 9 53 O 0.49541246253033 0.91666666666667 0.69402178167301 15.999 > 9 54 O 0.99541246253033 0.91666666666667 0.69402178167301 15.999 > 9 55 O 0.00458753746967 0.08333333333333 0.30597821832699 15.999 > 10 56 O 0.50458753746967 0.08333333333333 0.30597821832699 15.999 > 10 57 O 0.00458753746967 0.41666666666667 0.30597821832699 15.999 > 10 58 O 0.50458753746967 0.41666666666667 0.30597821832699 15.999 > 10 59 O 0.00458753746967 0.75000000000000 0.30597821832699 15.999 > 10 60 O 0.50458753746967 0.75000000000000 0.30597821832699 15.999 > 10 61 O 0.24541246253033 0.25000000000000 0.80597821832699 15.999 > 11 62 O 0.74541246253033 0.25000000000000 0.80597821832699 15.999 > 11 63 O 0.24541246253033 0.58333333333333 0.80597821832699 15.999 > 11 64 O 0.74541246253033 0.58333333333333 0.80597821832699 15.999 > 11 65 O 0.24541246253033 0.91666666666667 0.80597821832699 15.999 > 11 66 O 0.74541246253033 0.91666666666667 0.80597821832699 15.999 > 11 67 O 0.25458753746967 0.08333333333333 0.19402178167301 15.999 > 12 68 O 0.75458753746967 0.08333333333333 0.19402178167301 15.999 > 12 69 O 0.25458753746967 0.41666666666667 0.19402178167301 15.999 > 12 70 O 0.75458753746967 0.41666666666667 0.19402178167301 15.999 > 12 71 O 0.25458753746967 0.75000000000000 0.19402178167301 15.999 > 12 72 O 0.75458753746967 0.75000000000000 0.19402178167301 15.999 > 12 *73 F 0.29730705986731 0.25000000000000 0.35435696326213 18.998 > 13 74 F 0.79730705986731 0.25000000000000 0.35435696326213 18.998 > 13 75 F 0.29730705986731 0.58333333333333 0.35435696326213 18.998 > 13 76 F 0.79730705986731 0.58333333333333 0.35435696326213 18.998 > 13 77 F 0.29730705986731 0.91666666666667 0.35435696326213 18.998 > 13 78 F 0.79730705986731 0.91666666666667 0.35435696326213 18.998 > 13 79 F 0.20269294013269 0.08333333333333 0.64564303673787 18.998 > 14 80 F 0.70269294013269 0.08333333333333 0.64564303673787 18.998 > 14 81 F 0.20269294013269 0.41666666666667 0.64564303673787 18.998 > 14 82 F 0.70269294013269 0.41666666666667 0.64564303673787 18.998 > 14 83 F 0.20269294013269 0.75000000000000 0.64564303673787 18.998 > 14 84 F 0.70269294013269 0.75000000000000 0.64564303673787 18.998 > 14 85 F 0.04730705986731 0.25000000000000 0.14564303673787 18.998 > 15 86 F 0.54730705986731 0.25000000000000 0.14564303673787 18.998 > 15 87 F 0.04730705986731 0.58333333333333 0.14564303673787 18.998 > 15 88 F 0.54730705986731 0.58333333333333 0.14564303673787 18.998 > 15 89 F 0.04730705986731 0.91666666666667 0.14564303673787 18.998 > 15 90 F 0.54730705986731 0.91666666666667 0.14564303673787 18.998 > 15 91 F 0.45269294013269 0.08333333333333 0.85435696326213 18.998 > 16 92 F 0.95269294013269 0.08333333333333 0.85435696326213 18.998 > 16 93 F 0.45269294013269 0.41666666666667 0.85435696326213 18.998 > 16 94 F 0.95269294013269 0.41666666666667 0.85435696326213 18.998 > 16 95 F 0.45269294013269 0.75000000000000 0.85435696326213 18.998 > 16 96 F 0.95269294013269 0.75000000000000 0.85435696326213 18.998 > 16 *97 Rb 0.37717798392020 0.25000000000000 0.03846659849599 85.468 > 17 98 Rb 0.87717798392020 0.25000000000000 0.03846659849599 85.468 > 17 99 Rb 0.37717798392020 0.58333333333333 0.03846659849599 85.468 > 17 100 Rb 0.87717798392020 0.58333333333333 0.03846659849599 85.468 > 17 101 Rb 0.37717798392020 0.91666666666667 0.03846659849599 85.468 > 17 102 Rb 0.87717798392020 0.91666666666667 0.03846659849599 85.468 > 17 103 Rb 0.12282201607980 0.08333333333333 0.96153340150401 85.468 > 18 104 Rb 0.62282201607980 0.08333333333333 0.96153340150401 85.468 > 18 105 Rb 0.12282201607980 0.41666666666667 0.96153340150401 85.468 > 18 106 Rb 0.62282201607980 0.41666666666667 0.96153340150401 85.468 > 18 107 Rb 0.12282201607980 0.75000000000000 0.96153340150401 85.468 > 18 108 Rb 0.62282201607980 0.75000000000000 0.96153340150401 85.468 > 18 109 Rb 0.12717798392020 0.25000000000000 0.46153340150401 85.468 > 19 110 Rb 0.62717798392020 0.25000000000000 0.46153340150401 85.468 > 19 111 Rb 0.12717798392020 0.58333333333333 0.46153340150401 85.468 > 19 112 Rb 0.62717798392020 0.58333333333333 0.46153340150401 85.468 > 19 113 Rb 0.12717798392020 0.91666666666667 0.46153340150401 85.468 > 19 114 Rb 0.62717798392020 0.91666666666667 0.46153340150401 85.468 > 19 115 Rb 0.37282201607980 0.08333333333333 0.53846659849599 85.468 > 20 116 Rb 0.87282201607980 0.08333333333333 0.53846659849599 85.468 > 20 117 Rb 0.37282201607980 0.41666666666667 0.53846659849599 85.468 > 20 118 Rb 0.87282201607980 0.41666666666667 0.53846659849599 85.468 > 20 119 Rb 0.37282201607980 0.75000000000000 0.53846659849599 85.468 > 20 120 Rb 0.87282201607980 0.75000000000000 0.53846659849599 85.468 > 20 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 2.0656385 0.0000000 0.0000000 0.0000000 2.1571351 0.0000000 0.0000000 0.0000000 2.0865506 -------------------------- Born effective charges -------------------------- 1 H 0.3361317 0.1944623 0.0545591 0.2326926 1.0234753 0.4259043 0.0620122 0.3810306 0.4543993 2 H 0.3361317 -0.1944623 0.0545591 -0.2326926 1.0234753 -0.4259043 0.0620122 -0.3810306 0.4543993 3 H 0.3361317 -0.1944623 -0.0545591 -0.2326926 1.0234753 0.4259043 -0.0620122 0.3810306 0.4543993 4 H 0.3361317 0.1944623 -0.0545591 0.2326926 1.0234753 -0.4259043 -0.0620122 -0.3810306 0.4543993 5 H 0.3361317 0.1944623 0.0545591 0.2326926 1.0234753 0.4259043 0.0620122 0.3810306 0.4543993 6 H 0.3361317 -0.1944623 0.0545591 -0.2326926 1.0234753 -0.4259043 0.0620122 -0.3810306 0.4543993 7 H 0.3361317 -0.1944623 -0.0545591 -0.2326926 1.0234753 0.4259043 -0.0620122 0.3810306 0.4543993 8 H 0.3361317 0.1944623 -0.0545591 0.2326926 1.0234753 -0.4259043 -0.0620122 -0.3810306 0.4543993 9 O -0.9954555 0.0000000 0.0388198 0.0000000 -1.5666208 0.0000000 0.0376233 0.0000000 -1.0096767 10 O -0.9954555 0.0000000 0.0388198 0.0000000 -1.5666208 0.0000000 0.0376233 0.0000000 -1.0096767 11 O -0.9954555 0.0000000 -0.0388198 0.0000000 -1.5666208 0.0000000 -0.0376233 0.0000000 -1.0096767 12 O -0.9954555 0.0000000 -0.0388198 0.0000000 -1.5666208 0.0000000 -0.0376233 0.0000000 -1.0096767 13 F -0.9291659 0.0000000 -0.0767202 0.0000000 -1.6162293 0.0000000 -0.0957969 0.0000000 -1.1282142 14 F -0.9291659 0.0000000 -0.0767202 0.0000000 -1.6162293 0.0000000 -0.0957969 0.0000000 -1.1282142 15 F -0.9291659 0.0000000 0.0767202 0.0000000 -1.6162293 0.0000000 0.0957969 0.0000000 -1.1282142 16 F -0.9291659 0.0000000 0.0767202 0.0000000 -1.6162293 0.0000000 0.0957969 0.0000000 -1.1282142 17 Rb 1.2523580 0.0000000 -0.0134594 0.0000000 1.1358996 0.0000000 -0.0232556 0.0000000 1.2290924 18 Rb 1.2523580 0.0000000 -0.0134594 0.0000000 1.1358996 0.0000000 -0.0232556 0.0000000 1.2290924 19 Rb 1.2523580 0.0000000 0.0134594 0.0000000 1.1358996 0.0000000 0.0232556 0.0000000 1.2290924 20 Rb 1.2523580 0.0000000 0.0134594 0.0000000 1.1358996 0.0000000 0.0232556 0.0000000 1.2290924 ---------------------------------------------------------------------------- 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: 360/360 Permutation basis: 11220/11220 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 1458 Number of blocks in projector: 1458 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: 336 Use standard eigh solver. --- Eigsh_solver_block: 2 / 6 --- Block_size: 264 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 264 Use standard eigh solver. --- Eigsh_solver_block: 4 / 6 --- Block_size: 198 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 198 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 198 Use standard eigh solver. Tree of FC basis block matrices: - (1458, 1434), data: False |-- (198, 194), data: True |-- (198, 194), data: True |-- (198, 194), data: True |-- (264, 262), data: True |-- (264, 262), data: True |-- (336, 328), data: True ----- Solver_atoms: 1 -- 120 / 120 Time (Solver_compr_matrix_reshape): 0.003 Solver_block: 100 / 320 - Time: 2.154 Solver_block: 200 / 320 - Time: 2.144 Solver_block: 300 / 320 - Time: 2.168 Solver_block: 320 / 320 - Time: 0.562 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 7.110 --------------------------------- Symfc end -------------------------------- Max drift of force constants: 0.00000000 (yy) 0.00000000 (yy) Permutation basis: 360/360 Permutation basis: 11220/11220 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 1458 Number of blocks in projector: 1458 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: 336 Use standard eigh solver. --- Eigsh_solver_block: 2 / 6 --- Block_size: 264 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 264 Use standard eigh solver. --- Eigsh_solver_block: 4 / 6 --- Block_size: 198 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 198 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 198 Use standard eigh solver. Tree of FC basis block matrices: - (1458, 1434), data: False |-- (198, 194), data: True |-- (198, 194), data: True |-- (198, 194), data: True |-- (264, 262), data: True |-- (264, 262), data: True |-- (336, 328), 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 2026-01-08 05:32:32]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 05:32:33]------------------------- 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 3 1] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: Pnma (62) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 7.951794750000000 0.000000000000000 0.000000000000000 b 0.000000000000000 4.153403370000001 0.000000000000000 c 0.000000000000000 0.000000000000000 8.441643010000000 Atomic positions (fractional): 1 H 0.46161043188963 0.55608937120054 0.73939520637614 1.008 2 H 0.53838956811037 0.05608937120054 0.26060479362386 1.008 3 H 0.96161043188963 0.94391062879946 0.76060479362386 1.008 4 H 0.03838956811037 0.44391062879946 0.23939520637614 1.008 5 H 0.53838956811037 0.44391062879946 0.26060479362386 1.008 6 H 0.46161043188963 0.94391062879946 0.73939520637614 1.008 7 H 0.03838956811037 0.05608937120054 0.23939520637614 1.008 8 H 0.96161043188963 0.55608937120054 0.76060479362386 1.008 9 O 0.99082492506065 0.75000000000000 0.69402178167301 15.999 10 O 0.00917507493935 0.25000000000000 0.30597821832699 15.999 11 O 0.49082492506065 0.75000000000000 0.80597821832699 15.999 12 O 0.50917507493935 0.25000000000000 0.19402178167301 15.999 13 F 0.59461411973463 0.75000000000000 0.35435696326213 18.998 14 F 0.40538588026537 0.25000000000000 0.64564303673787 18.998 15 F 0.09461411973463 0.75000000000000 0.14564303673787 18.998 16 F 0.90538588026537 0.25000000000000 0.85435696326213 18.998 17 Rb 0.75435596784041 0.75000000000000 0.03846659849599 85.468 18 Rb 0.24564403215959 0.25000000000000 0.96153340150401 85.468 19 Rb 0.25435596784041 0.75000000000000 0.46153340150401 85.468 20 Rb 0.74564403215959 0.25000000000000 0.53846659849599 85.468 -------------------------------- supercell --------------------------------- Lattice vectors: a 15.903589500000001 0.000000000000000 0.000000000000000 b 0.000000000000000 12.460210110000004 0.000000000000000 c 0.000000000000000 0.000000000000000 8.441643010000000 Atomic positions (fractional): 1 H 0.23080521594481 0.18536312373351 0.73939520637614 1.008 > 1 2 H 0.73080521594481 0.18536312373351 0.73939520637614 1.008 > 1 3 H 0.23080521594481 0.51869645706685 0.73939520637614 1.008 > 1 4 H 0.73080521594481 0.51869645706685 0.73939520637614 1.008 > 1 5 H 0.23080521594481 0.85202979040018 0.73939520637614 1.008 > 1 6 H 0.73080521594481 0.85202979040018 0.73939520637614 1.008 > 1 7 H 0.26919478405519 0.01869645706685 0.26060479362386 1.008 > 7 8 H 0.76919478405519 0.01869645706685 0.26060479362386 1.008 > 7 9 H 0.26919478405519 0.35202979040018 0.26060479362386 1.008 > 7 10 H 0.76919478405519 0.35202979040018 0.26060479362386 1.008 > 7 11 H 0.26919478405519 0.68536312373351 0.26060479362386 1.008 > 7 12 H 0.76919478405519 0.68536312373351 0.26060479362386 1.008 > 7 13 H 0.48080521594481 0.31463687626649 0.76060479362386 1.008 > 13 14 H 0.98080521594481 0.31463687626649 0.76060479362386 1.008 > 13 15 H 0.48080521594481 0.64797020959982 0.76060479362386 1.008 > 13 16 H 0.98080521594481 0.64797020959982 0.76060479362386 1.008 > 13 17 H 0.48080521594481 0.98130354293315 0.76060479362386 1.008 > 13 18 H 0.98080521594481 0.98130354293315 0.76060479362386 1.008 > 13 19 H 0.01919478405519 0.14797020959982 0.23939520637614 1.008 > 19 20 H 0.51919478405519 0.14797020959982 0.23939520637614 1.008 > 19 21 H 0.01919478405519 0.48130354293315 0.23939520637614 1.008 > 19 22 H 0.51919478405519 0.48130354293315 0.23939520637614 1.008 > 19 23 H 0.01919478405519 0.81463687626649 0.23939520637614 1.008 > 19 24 H 0.51919478405519 0.81463687626649 0.23939520637614 1.008 > 19 25 H 0.26919478405519 0.14797020959982 0.26060479362386 1.008 > 25 26 H 0.76919478405519 0.14797020959982 0.26060479362386 1.008 > 25 27 H 0.26919478405519 0.48130354293315 0.26060479362386 1.008 > 25 28 H 0.76919478405519 0.48130354293315 0.26060479362386 1.008 > 25 29 H 0.26919478405519 0.81463687626649 0.26060479362386 1.008 > 25 30 H 0.76919478405519 0.81463687626649 0.26060479362386 1.008 > 25 31 H 0.23080521594481 0.31463687626649 0.73939520637614 1.008 > 31 32 H 0.73080521594481 0.31463687626649 0.73939520637614 1.008 > 31 33 H 0.23080521594481 0.64797020959982 0.73939520637614 1.008 > 31 34 H 0.73080521594481 0.64797020959982 0.73939520637614 1.008 > 31 35 H 0.23080521594481 0.98130354293315 0.73939520637614 1.008 > 31 36 H 0.73080521594481 0.98130354293315 0.73939520637614 1.008 > 31 37 H 0.01919478405519 0.01869645706685 0.23939520637614 1.008 > 37 38 H 0.51919478405519 0.01869645706685 0.23939520637614 1.008 > 37 39 H 0.01919478405519 0.35202979040018 0.23939520637614 1.008 > 37 40 H 0.51919478405519 0.35202979040018 0.23939520637614 1.008 > 37 41 H 0.01919478405519 0.68536312373351 0.23939520637614 1.008 > 37 42 H 0.51919478405519 0.68536312373351 0.23939520637614 1.008 > 37 43 H 0.48080521594481 0.18536312373351 0.76060479362386 1.008 > 43 44 H 0.98080521594481 0.18536312373351 0.76060479362386 1.008 > 43 45 H 0.48080521594481 0.51869645706685 0.76060479362386 1.008 > 43 46 H 0.98080521594481 0.51869645706685 0.76060479362386 1.008 > 43 47 H 0.48080521594481 0.85202979040018 0.76060479362386 1.008 > 43 48 H 0.98080521594481 0.85202979040018 0.76060479362386 1.008 > 43 49 O 0.49541246253033 0.25000000000000 0.69402178167301 15.999 > 49 50 O 0.99541246253033 0.25000000000000 0.69402178167301 15.999 > 49 51 O 0.49541246253033 0.58333333333333 0.69402178167301 15.999 > 49 52 O 0.99541246253033 0.58333333333333 0.69402178167301 15.999 > 49 53 O 0.49541246253033 0.91666666666667 0.69402178167301 15.999 > 49 54 O 0.99541246253033 0.91666666666667 0.69402178167301 15.999 > 49 55 O 0.00458753746967 0.08333333333333 0.30597821832699 15.999 > 55 56 O 0.50458753746967 0.08333333333333 0.30597821832699 15.999 > 55 57 O 0.00458753746967 0.41666666666667 0.30597821832699 15.999 > 55 58 O 0.50458753746967 0.41666666666667 0.30597821832699 15.999 > 55 59 O 0.00458753746967 0.75000000000000 0.30597821832699 15.999 > 55 60 O 0.50458753746967 0.75000000000000 0.30597821832699 15.999 > 55 61 O 0.24541246253033 0.25000000000000 0.80597821832699 15.999 > 61 62 O 0.74541246253033 0.25000000000000 0.80597821832699 15.999 > 61 63 O 0.24541246253033 0.58333333333333 0.80597821832699 15.999 > 61 64 O 0.74541246253033 0.58333333333333 0.80597821832699 15.999 > 61 65 O 0.24541246253033 0.91666666666667 0.80597821832699 15.999 > 61 66 O 0.74541246253033 0.91666666666667 0.80597821832699 15.999 > 61 67 O 0.25458753746967 0.08333333333333 0.19402178167301 15.999 > 67 68 O 0.75458753746967 0.08333333333333 0.19402178167301 15.999 > 67 69 O 0.25458753746967 0.41666666666667 0.19402178167301 15.999 > 67 70 O 0.75458753746967 0.41666666666667 0.19402178167301 15.999 > 67 71 O 0.25458753746967 0.75000000000000 0.19402178167301 15.999 > 67 72 O 0.75458753746967 0.75000000000000 0.19402178167301 15.999 > 67 73 F 0.29730705986731 0.25000000000000 0.35435696326213 18.998 > 73 74 F 0.79730705986731 0.25000000000000 0.35435696326213 18.998 > 73 75 F 0.29730705986731 0.58333333333333 0.35435696326213 18.998 > 73 76 F 0.79730705986731 0.58333333333333 0.35435696326213 18.998 > 73 77 F 0.29730705986731 0.91666666666667 0.35435696326213 18.998 > 73 78 F 0.79730705986731 0.91666666666667 0.35435696326213 18.998 > 73 79 F 0.20269294013269 0.08333333333333 0.64564303673787 18.998 > 79 80 F 0.70269294013269 0.08333333333333 0.64564303673787 18.998 > 79 81 F 0.20269294013269 0.41666666666667 0.64564303673787 18.998 > 79 82 F 0.70269294013269 0.41666666666667 0.64564303673787 18.998 > 79 83 F 0.20269294013269 0.75000000000000 0.64564303673787 18.998 > 79 84 F 0.70269294013269 0.75000000000000 0.64564303673787 18.998 > 79 85 F 0.04730705986731 0.25000000000000 0.14564303673787 18.998 > 85 86 F 0.54730705986731 0.25000000000000 0.14564303673787 18.998 > 85 87 F 0.04730705986731 0.58333333333333 0.14564303673787 18.998 > 85 88 F 0.54730705986731 0.58333333333333 0.14564303673787 18.998 > 85 89 F 0.04730705986731 0.91666666666667 0.14564303673787 18.998 > 85 90 F 0.54730705986731 0.91666666666667 0.14564303673787 18.998 > 85 91 F 0.45269294013269 0.08333333333333 0.85435696326213 18.998 > 91 92 F 0.95269294013269 0.08333333333333 0.85435696326213 18.998 > 91 93 F 0.45269294013269 0.41666666666667 0.85435696326213 18.998 > 91 94 F 0.95269294013269 0.41666666666667 0.85435696326213 18.998 > 91 95 F 0.45269294013269 0.75000000000000 0.85435696326213 18.998 > 91 96 F 0.95269294013269 0.75000000000000 0.85435696326213 18.998 > 91 97 Rb 0.37717798392020 0.25000000000000 0.03846659849599 85.468 > 97 98 Rb 0.87717798392020 0.25000000000000 0.03846659849599 85.468 > 97 99 Rb 0.37717798392020 0.58333333333333 0.03846659849599 85.468 > 97 100 Rb 0.87717798392020 0.58333333333333 0.03846659849599 85.468 > 97 101 Rb 0.37717798392020 0.91666666666667 0.03846659849599 85.468 > 97 102 Rb 0.87717798392020 0.91666666666667 0.03846659849599 85.468 > 97 103 Rb 0.12282201607980 0.08333333333333 0.96153340150401 85.468 > 103 104 Rb 0.62282201607980 0.08333333333333 0.96153340150401 85.468 > 103 105 Rb 0.12282201607980 0.41666666666667 0.96153340150401 85.468 > 103 106 Rb 0.62282201607980 0.41666666666667 0.96153340150401 85.468 > 103 107 Rb 0.12282201607980 0.75000000000000 0.96153340150401 85.468 > 103 108 Rb 0.62282201607980 0.75000000000000 0.96153340150401 85.468 > 103 109 Rb 0.12717798392020 0.25000000000000 0.46153340150401 85.468 > 109 110 Rb 0.62717798392020 0.25000000000000 0.46153340150401 85.468 > 109 111 Rb 0.12717798392020 0.58333333333333 0.46153340150401 85.468 > 109 112 Rb 0.62717798392020 0.58333333333333 0.46153340150401 85.468 > 109 113 Rb 0.12717798392020 0.91666666666667 0.46153340150401 85.468 > 109 114 Rb 0.62717798392020 0.91666666666667 0.46153340150401 85.468 > 109 115 Rb 0.37282201607980 0.08333333333333 0.53846659849599 85.468 > 115 116 Rb 0.87282201607980 0.08333333333333 0.53846659849599 85.468 > 115 117 Rb 0.37282201607980 0.41666666666667 0.53846659849599 85.468 > 115 118 Rb 0.87282201607980 0.41666666666667 0.53846659849599 85.468 > 115 119 Rb 0.37282201607980 0.75000000000000 0.53846659849599 85.468 > 115 120 Rb 0.87282201607980 0.75000000000000 0.53846659849599 85.468 > 115 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 2.0656385 0.0000000 0.0000000 0.0000000 2.1571351 0.0000000 0.0000000 0.0000000 2.0865506 -------------------------- Born effective charges -------------------------- 1 H 0.3361317 0.1944623 0.0545591 0.2326926 1.0234753 0.4259043 0.0620122 0.3810306 0.4543993 2 H 0.3361317 -0.1944623 0.0545591 -0.2326926 1.0234753 -0.4259043 0.0620122 -0.3810306 0.4543993 3 H 0.3361317 -0.1944623 -0.0545591 -0.2326926 1.0234753 0.4259043 -0.0620122 0.3810306 0.4543993 4 H 0.3361317 0.1944623 -0.0545591 0.2326926 1.0234753 -0.4259043 -0.0620122 -0.3810306 0.4543993 5 H 0.3361317 0.1944623 0.0545591 0.2326926 1.0234753 0.4259043 0.0620122 0.3810306 0.4543993 6 H 0.3361317 -0.1944623 0.0545591 -0.2326926 1.0234753 -0.4259043 0.0620122 -0.3810306 0.4543993 7 H 0.3361317 -0.1944623 -0.0545591 -0.2326926 1.0234753 0.4259043 -0.0620122 0.3810306 0.4543993 8 H 0.3361317 0.1944623 -0.0545591 0.2326926 1.0234753 -0.4259043 -0.0620122 -0.3810306 0.4543993 9 O -0.9954555 0.0000000 0.0388198 0.0000000 -1.5666208 0.0000000 0.0376233 0.0000000 -1.0096767 10 O -0.9954555 0.0000000 0.0388198 0.0000000 -1.5666208 0.0000000 0.0376233 0.0000000 -1.0096767 11 O -0.9954555 0.0000000 -0.0388198 0.0000000 -1.5666208 0.0000000 -0.0376233 0.0000000 -1.0096767 12 O -0.9954555 0.0000000 -0.0388198 0.0000000 -1.5666208 0.0000000 -0.0376233 0.0000000 -1.0096767 13 F -0.9291659 0.0000000 -0.0767202 0.0000000 -1.6162293 0.0000000 -0.0957969 0.0000000 -1.1282142 14 F -0.9291659 0.0000000 -0.0767202 0.0000000 -1.6162293 0.0000000 -0.0957969 0.0000000 -1.1282142 15 F -0.9291659 0.0000000 0.0767202 0.0000000 -1.6162293 0.0000000 0.0957969 0.0000000 -1.1282142 16 F -0.9291659 0.0000000 0.0767202 0.0000000 -1.6162293 0.0000000 0.0957969 0.0000000 -1.1282142 17 Rb 1.2523580 0.0000000 -0.0134594 0.0000000 1.1358996 0.0000000 -0.0232556 0.0000000 1.2290924 18 Rb 1.2523580 0.0000000 -0.0134594 0.0000000 1.1358996 0.0000000 -0.0232556 0.0000000 1.2290924 19 Rb 1.2523580 0.0000000 0.0134594 0.0000000 1.1358996 0.0000000 0.0232556 0.0000000 1.2290924 20 Rb 1.2523580 0.0000000 0.0134594 0.0000000 1.1358996 0.0000000 0.0232556 0.0000000 1.2290924 ---------------------------------------------------------------------------- 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[ 49, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 73, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 97, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Expanding fc3. Symmetrizing fc3 by traditional approach (N=3). Symmetrizing fc2 by traditional approach (N=3). Max drift of fc3: -0.00000001 (yyy) -0.00000001 (yyy) -0.00000001 (yyy) fc3 was written into "fc3.hdf5". Max drift of fc2: 0.00000000 (xz) 0.00000000 (xz) 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 05:32:51]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 05:32:52]------------------------- 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 3 1] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: Pnma (62) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 7.951794750000000 0.000000000000000 0.000000000000000 b 0.000000000000000 4.153403370000001 0.000000000000000 c 0.000000000000000 0.000000000000000 8.441643010000000 Atomic positions (fractional): 1 H 0.46161043188963 0.55608937120054 0.73939520637614 1.008 2 H 0.53838956811037 0.05608937120054 0.26060479362386 1.008 3 H 0.96161043188963 0.94391062879946 0.76060479362386 1.008 4 H 0.03838956811037 0.44391062879946 0.23939520637614 1.008 5 H 0.53838956811037 0.44391062879946 0.26060479362386 1.008 6 H 0.46161043188963 0.94391062879946 0.73939520637614 1.008 7 H 0.03838956811037 0.05608937120054 0.23939520637614 1.008 8 H 0.96161043188963 0.55608937120054 0.76060479362386 1.008 9 O 0.99082492506065 0.75000000000000 0.69402178167301 15.999 10 O 0.00917507493935 0.25000000000000 0.30597821832699 15.999 11 O 0.49082492506065 0.75000000000000 0.80597821832699 15.999 12 O 0.50917507493935 0.25000000000000 0.19402178167301 15.999 13 F 0.59461411973463 0.75000000000000 0.35435696326213 18.998 14 F 0.40538588026537 0.25000000000000 0.64564303673787 18.998 15 F 0.09461411973463 0.75000000000000 0.14564303673787 18.998 16 F 0.90538588026537 0.25000000000000 0.85435696326213 18.998 17 Rb 0.75435596784041 0.75000000000000 0.03846659849599 85.468 18 Rb 0.24564403215959 0.25000000000000 0.96153340150401 85.468 19 Rb 0.25435596784041 0.75000000000000 0.46153340150401 85.468 20 Rb 0.74564403215959 0.25000000000000 0.53846659849599 85.468 -------------------------------- supercell --------------------------------- Lattice vectors: a 15.903589500000001 0.000000000000000 0.000000000000000 b 0.000000000000000 12.460210110000004 0.000000000000000 c 0.000000000000000 0.000000000000000 8.441643010000000 Atomic positions (fractional): 1 H 0.23080521594481 0.18536312373351 0.73939520637614 1.008 > 1 2 H 0.73080521594481 0.18536312373351 0.73939520637614 1.008 > 1 3 H 0.23080521594481 0.51869645706685 0.73939520637614 1.008 > 1 4 H 0.73080521594481 0.51869645706685 0.73939520637614 1.008 > 1 5 H 0.23080521594481 0.85202979040018 0.73939520637614 1.008 > 1 6 H 0.73080521594481 0.85202979040018 0.73939520637614 1.008 > 1 7 H 0.26919478405519 0.01869645706685 0.26060479362386 1.008 > 7 8 H 0.76919478405519 0.01869645706685 0.26060479362386 1.008 > 7 9 H 0.26919478405519 0.35202979040018 0.26060479362386 1.008 > 7 10 H 0.76919478405519 0.35202979040018 0.26060479362386 1.008 > 7 11 H 0.26919478405519 0.68536312373351 0.26060479362386 1.008 > 7 12 H 0.76919478405519 0.68536312373351 0.26060479362386 1.008 > 7 13 H 0.48080521594481 0.31463687626649 0.76060479362386 1.008 > 13 14 H 0.98080521594481 0.31463687626649 0.76060479362386 1.008 > 13 15 H 0.48080521594481 0.64797020959982 0.76060479362386 1.008 > 13 16 H 0.98080521594481 0.64797020959982 0.76060479362386 1.008 > 13 17 H 0.48080521594481 0.98130354293315 0.76060479362386 1.008 > 13 18 H 0.98080521594481 0.98130354293315 0.76060479362386 1.008 > 13 19 H 0.01919478405519 0.14797020959982 0.23939520637614 1.008 > 19 20 H 0.51919478405519 0.14797020959982 0.23939520637614 1.008 > 19 21 H 0.01919478405519 0.48130354293315 0.23939520637614 1.008 > 19 22 H 0.51919478405519 0.48130354293315 0.23939520637614 1.008 > 19 23 H 0.01919478405519 0.81463687626649 0.23939520637614 1.008 > 19 24 H 0.51919478405519 0.81463687626649 0.23939520637614 1.008 > 19 25 H 0.26919478405519 0.14797020959982 0.26060479362386 1.008 > 25 26 H 0.76919478405519 0.14797020959982 0.26060479362386 1.008 > 25 27 H 0.26919478405519 0.48130354293315 0.26060479362386 1.008 > 25 28 H 0.76919478405519 0.48130354293315 0.26060479362386 1.008 > 25 29 H 0.26919478405519 0.81463687626649 0.26060479362386 1.008 > 25 30 H 0.76919478405519 0.81463687626649 0.26060479362386 1.008 > 25 31 H 0.23080521594481 0.31463687626649 0.73939520637614 1.008 > 31 32 H 0.73080521594481 0.31463687626649 0.73939520637614 1.008 > 31 33 H 0.23080521594481 0.64797020959982 0.73939520637614 1.008 > 31 34 H 0.73080521594481 0.64797020959982 0.73939520637614 1.008 > 31 35 H 0.23080521594481 0.98130354293315 0.73939520637614 1.008 > 31 36 H 0.73080521594481 0.98130354293315 0.73939520637614 1.008 > 31 37 H 0.01919478405519 0.01869645706685 0.23939520637614 1.008 > 37 38 H 0.51919478405519 0.01869645706685 0.23939520637614 1.008 > 37 39 H 0.01919478405519 0.35202979040018 0.23939520637614 1.008 > 37 40 H 0.51919478405519 0.35202979040018 0.23939520637614 1.008 > 37 41 H 0.01919478405519 0.68536312373351 0.23939520637614 1.008 > 37 42 H 0.51919478405519 0.68536312373351 0.23939520637614 1.008 > 37 43 H 0.48080521594481 0.18536312373351 0.76060479362386 1.008 > 43 44 H 0.98080521594481 0.18536312373351 0.76060479362386 1.008 > 43 45 H 0.48080521594481 0.51869645706685 0.76060479362386 1.008 > 43 46 H 0.98080521594481 0.51869645706685 0.76060479362386 1.008 > 43 47 H 0.48080521594481 0.85202979040018 0.76060479362386 1.008 > 43 48 H 0.98080521594481 0.85202979040018 0.76060479362386 1.008 > 43 49 O 0.49541246253033 0.25000000000000 0.69402178167301 15.999 > 49 50 O 0.99541246253033 0.25000000000000 0.69402178167301 15.999 > 49 51 O 0.49541246253033 0.58333333333333 0.69402178167301 15.999 > 49 52 O 0.99541246253033 0.58333333333333 0.69402178167301 15.999 > 49 53 O 0.49541246253033 0.91666666666667 0.69402178167301 15.999 > 49 54 O 0.99541246253033 0.91666666666667 0.69402178167301 15.999 > 49 55 O 0.00458753746967 0.08333333333333 0.30597821832699 15.999 > 55 56 O 0.50458753746967 0.08333333333333 0.30597821832699 15.999 > 55 57 O 0.00458753746967 0.41666666666667 0.30597821832699 15.999 > 55 58 O 0.50458753746967 0.41666666666667 0.30597821832699 15.999 > 55 59 O 0.00458753746967 0.75000000000000 0.30597821832699 15.999 > 55 60 O 0.50458753746967 0.75000000000000 0.30597821832699 15.999 > 55 61 O 0.24541246253033 0.25000000000000 0.80597821832699 15.999 > 61 62 O 0.74541246253033 0.25000000000000 0.80597821832699 15.999 > 61 63 O 0.24541246253033 0.58333333333333 0.80597821832699 15.999 > 61 64 O 0.74541246253033 0.58333333333333 0.80597821832699 15.999 > 61 65 O 0.24541246253033 0.91666666666667 0.80597821832699 15.999 > 61 66 O 0.74541246253033 0.91666666666667 0.80597821832699 15.999 > 61 67 O 0.25458753746967 0.08333333333333 0.19402178167301 15.999 > 67 68 O 0.75458753746967 0.08333333333333 0.19402178167301 15.999 > 67 69 O 0.25458753746967 0.41666666666667 0.19402178167301 15.999 > 67 70 O 0.75458753746967 0.41666666666667 0.19402178167301 15.999 > 67 71 O 0.25458753746967 0.75000000000000 0.19402178167301 15.999 > 67 72 O 0.75458753746967 0.75000000000000 0.19402178167301 15.999 > 67 73 F 0.29730705986731 0.25000000000000 0.35435696326213 18.998 > 73 74 F 0.79730705986731 0.25000000000000 0.35435696326213 18.998 > 73 75 F 0.29730705986731 0.58333333333333 0.35435696326213 18.998 > 73 76 F 0.79730705986731 0.58333333333333 0.35435696326213 18.998 > 73 77 F 0.29730705986731 0.91666666666667 0.35435696326213 18.998 > 73 78 F 0.79730705986731 0.91666666666667 0.35435696326213 18.998 > 73 79 F 0.20269294013269 0.08333333333333 0.64564303673787 18.998 > 79 80 F 0.70269294013269 0.08333333333333 0.64564303673787 18.998 > 79 81 F 0.20269294013269 0.41666666666667 0.64564303673787 18.998 > 79 82 F 0.70269294013269 0.41666666666667 0.64564303673787 18.998 > 79 83 F 0.20269294013269 0.75000000000000 0.64564303673787 18.998 > 79 84 F 0.70269294013269 0.75000000000000 0.64564303673787 18.998 > 79 85 F 0.04730705986731 0.25000000000000 0.14564303673787 18.998 > 85 86 F 0.54730705986731 0.25000000000000 0.14564303673787 18.998 > 85 87 F 0.04730705986731 0.58333333333333 0.14564303673787 18.998 > 85 88 F 0.54730705986731 0.58333333333333 0.14564303673787 18.998 > 85 89 F 0.04730705986731 0.91666666666667 0.14564303673787 18.998 > 85 90 F 0.54730705986731 0.91666666666667 0.14564303673787 18.998 > 85 91 F 0.45269294013269 0.08333333333333 0.85435696326213 18.998 > 91 92 F 0.95269294013269 0.08333333333333 0.85435696326213 18.998 > 91 93 F 0.45269294013269 0.41666666666667 0.85435696326213 18.998 > 91 94 F 0.95269294013269 0.41666666666667 0.85435696326213 18.998 > 91 95 F 0.45269294013269 0.75000000000000 0.85435696326213 18.998 > 91 96 F 0.95269294013269 0.75000000000000 0.85435696326213 18.998 > 91 97 Rb 0.37717798392020 0.25000000000000 0.03846659849599 85.468 > 97 98 Rb 0.87717798392020 0.25000000000000 0.03846659849599 85.468 > 97 99 Rb 0.37717798392020 0.58333333333333 0.03846659849599 85.468 > 97 100 Rb 0.87717798392020 0.58333333333333 0.03846659849599 85.468 > 97 101 Rb 0.37717798392020 0.91666666666667 0.03846659849599 85.468 > 97 102 Rb 0.87717798392020 0.91666666666667 0.03846659849599 85.468 > 97 103 Rb 0.12282201607980 0.08333333333333 0.96153340150401 85.468 > 103 104 Rb 0.62282201607980 0.08333333333333 0.96153340150401 85.468 > 103 105 Rb 0.12282201607980 0.41666666666667 0.96153340150401 85.468 > 103 106 Rb 0.62282201607980 0.41666666666667 0.96153340150401 85.468 > 103 107 Rb 0.12282201607980 0.75000000000000 0.96153340150401 85.468 > 103 108 Rb 0.62282201607980 0.75000000000000 0.96153340150401 85.468 > 103 109 Rb 0.12717798392020 0.25000000000000 0.46153340150401 85.468 > 109 110 Rb 0.62717798392020 0.25000000000000 0.46153340150401 85.468 > 109 111 Rb 0.12717798392020 0.58333333333333 0.46153340150401 85.468 > 109 112 Rb 0.62717798392020 0.58333333333333 0.46153340150401 85.468 > 109 113 Rb 0.12717798392020 0.91666666666667 0.46153340150401 85.468 > 109 114 Rb 0.62717798392020 0.91666666666667 0.46153340150401 85.468 > 109 115 Rb 0.37282201607980 0.08333333333333 0.53846659849599 85.468 > 115 116 Rb 0.87282201607980 0.08333333333333 0.53846659849599 85.468 > 115 117 Rb 0.37282201607980 0.41666666666667 0.53846659849599 85.468 > 115 118 Rb 0.87282201607980 0.41666666666667 0.53846659849599 85.468 > 115 119 Rb 0.37282201607980 0.75000000000000 0.53846659849599 85.468 > 115 120 Rb 0.87282201607980 0.75000000000000 0.53846659849599 85.468 > 115 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 2.0656385 0.0000000 0.0000000 0.0000000 2.1571351 0.0000000 0.0000000 0.0000000 2.0865506 -------------------------- Born effective charges -------------------------- 1 H 0.3361317 0.1944623 0.0545591 0.2326926 1.0234753 0.4259043 0.0620122 0.3810306 0.4543993 2 H 0.3361317 -0.1944623 0.0545591 -0.2326926 1.0234753 -0.4259043 0.0620122 -0.3810306 0.4543993 3 H 0.3361317 -0.1944623 -0.0545591 -0.2326926 1.0234753 0.4259043 -0.0620122 0.3810306 0.4543993 4 H 0.3361317 0.1944623 -0.0545591 0.2326926 1.0234753 -0.4259043 -0.0620122 -0.3810306 0.4543993 5 H 0.3361317 0.1944623 0.0545591 0.2326926 1.0234753 0.4259043 0.0620122 0.3810306 0.4543993 6 H 0.3361317 -0.1944623 0.0545591 -0.2326926 1.0234753 -0.4259043 0.0620122 -0.3810306 0.4543993 7 H 0.3361317 -0.1944623 -0.0545591 -0.2326926 1.0234753 0.4259043 -0.0620122 0.3810306 0.4543993 8 H 0.3361317 0.1944623 -0.0545591 0.2326926 1.0234753 -0.4259043 -0.0620122 -0.3810306 0.4543993 9 O -0.9954555 0.0000000 0.0388198 0.0000000 -1.5666208 0.0000000 0.0376233 0.0000000 -1.0096767 10 O -0.9954555 0.0000000 0.0388198 0.0000000 -1.5666208 0.0000000 0.0376233 0.0000000 -1.0096767 11 O -0.9954555 0.0000000 -0.0388198 0.0000000 -1.5666208 0.0000000 -0.0376233 0.0000000 -1.0096767 12 O -0.9954555 0.0000000 -0.0388198 0.0000000 -1.5666208 0.0000000 -0.0376233 0.0000000 -1.0096767 13 F -0.9291659 0.0000000 -0.0767202 0.0000000 -1.6162293 0.0000000 -0.0957969 0.0000000 -1.1282142 14 F -0.9291659 0.0000000 -0.0767202 0.0000000 -1.6162293 0.0000000 -0.0957969 0.0000000 -1.1282142 15 F -0.9291659 0.0000000 0.0767202 0.0000000 -1.6162293 0.0000000 0.0957969 0.0000000 -1.1282142 16 F -0.9291659 0.0000000 0.0767202 0.0000000 -1.6162293 0.0000000 0.0957969 0.0000000 -1.1282142 17 Rb 1.2523580 0.0000000 -0.0134594 0.0000000 1.1358996 0.0000000 -0.0232556 0.0000000 1.2290924 18 Rb 1.2523580 0.0000000 -0.0134594 0.0000000 1.1358996 0.0000000 -0.0232556 0.0000000 1.2290924 19 Rb 1.2523580 0.0000000 0.0134594 0.0000000 1.1358996 0.0000000 0.0232556 0.0000000 1.2290924 20 Rb 1.2523580 0.0000000 0.0134594 0.0000000 1.1358996 0.0000000 0.0232556 0.0000000 1.2290924 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: -0.00000001 (yyy) -0.00000001 (yyy) -0.00000001 (yyy) Max drift of fc2: 0.00000000 (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 ... [ 6 12 6 ] fc3-r2q-transformation over three atoms: True --------------------------- Phonon calculations ---------------------------- Use NAC by Gonze et al. (no real space sum in current implementation) PRB 50, 13035(R) (1994), PRB 55, 10355 (1997) G-cutoff distance: 0.64, Number of G-points: 297, Lambda: 0.10 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/112) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 112 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| -0.000 ( 0.000 0.000 0.000) 0.000 0.000 ( 0.000 0.000 0.000) 0.000 0.000 ( 0.000 0.000 0.000) 0.000 1.120 ( 0.000 0.000 0.000) 0.000 1.342 ( 0.000 0.000 0.000) 0.000 1.366 ( 0.000 0.000 0.000) 0.000 1.501 ( 0.000 0.000 0.000) 0.000 1.584 ( 0.000 0.000 0.000) 0.000 1.729 ( 0.000 0.000 0.000) 0.000 2.105 ( 0.000 0.000 0.000) 0.000 2.316 ( 0.000 0.000 0.000) 0.000 2.683 ( 0.000 0.000 0.000) 0.000 2.746 ( 0.000 0.000 0.000) 0.000 2.864 ( 0.000 0.000 0.000) 0.000 2.948 ( 0.000 0.000 0.000) 0.000 3.064 ( 0.000 0.000 0.000) 0.000 3.127 ( 0.000 0.000 0.000) 0.000 3.261 ( 0.000 0.000 0.000) 0.000 3.448 ( 0.000 0.000 0.000) 0.000 3.449 ( 0.000 0.000 0.000) 0.000 3.780 ( 0.000 0.000 0.000) 0.000 4.022 ( 0.000 0.000 0.000) 0.000 4.213 ( 0.000 0.000 0.000) 0.000 4.443 ( 0.000 0.000 0.000) 0.000 4.468 ( 0.000 0.000 0.000) 0.000 4.520 ( 0.000 0.000 0.000) 0.000 4.871 ( 0.000 0.000 0.000) 0.000 5.038 ( 0.000 0.000 0.000) 0.000 8.968 ( 0.000 0.000 0.000) 0.000 9.098 ( 0.000 0.000 0.000) 0.000 9.126 ( 0.000 0.000 0.000) 0.000 9.147 ( 0.000 0.000 0.000) 0.000 9.478 ( 0.000 0.000 0.000) 0.000 9.557 ( 0.000 0.000 0.000) 0.000 9.735 ( 0.000 0.000 0.000) 0.000 10.031 ( 0.000 0.000 0.000) 0.000 23.896 ( 0.000 0.000 0.000) 0.000 23.935 ( 0.000 0.000 0.000) 0.000 23.958 ( 0.000 0.000 0.000) 0.000 24.082 ( 0.000 0.000 0.000) 0.000 26.995 ( 0.000 0.000 0.000) 0.000 27.007 ( 0.000 0.000 0.000) 0.000 27.214 ( 0.000 0.000 0.000) 0.000 27.317 ( 0.000 0.000 0.000) 0.000 27.434 ( 0.000 0.000 0.000) 0.000 27.512 ( 0.000 0.000 0.000) 0.000 27.899 ( 0.000 0.000 0.000) 0.000 28.255 ( 0.000 0.000 0.000) 0.000 49.674 ( 0.000 0.000 0.000) 0.000 49.746 ( 0.000 0.000 0.000) 0.000 49.846 ( 0.000 0.000 0.000) 0.000 49.907 ( 0.000 0.000 0.000) 0.000 89.315 ( 0.000 0.000 0.000) 0.000 89.327 ( 0.000 0.000 0.000) 0.000 89.331 ( 0.000 0.000 0.000) 0.000 89.334 ( 0.000 0.000 0.000) 0.000 93.139 ( 0.000 0.000 0.000) 0.000 93.159 ( 0.000 0.000 0.000) 0.000 93.188 ( 0.000 0.000 0.000) 0.000 94.020 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/112) ======================= q-point: ( 0.17 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.303 ( 13.984 0.000 0.000) 13.984 0.387 ( 17.911 0.000 0.000) 17.911 0.691 ( 31.530 0.000 0.000) 31.530 1.083 ( -3.507 0.000 0.000) 3.507 1.339 ( -0.343 0.000 0.000) 0.343 1.383 ( 1.560 0.000 0.000) 1.560 1.488 ( -0.883 0.000 0.000) 0.883 1.571 ( -1.247 0.000 0.000) 1.247 1.826 ( 8.727 0.000 0.000) 8.727 1.998 ( -8.227 0.000 0.000) 8.227 2.589 ( 1.315 0.000 0.000) 1.315 2.689 ( 0.564 0.000 0.000) 0.564 2.742 ( -0.362 0.000 0.000) 0.362 2.848 ( -1.117 0.000 0.000) 1.117 2.966 ( 1.606 0.000 0.000) 1.606 3.037 ( -2.399 0.000 0.000) 2.399 3.120 ( -0.723 0.000 0.000) 0.723 3.201 ( -12.728 0.000 0.000) 12.728 3.335 ( -2.427 0.000 0.000) 2.427 3.498 ( -2.524 0.000 0.000) 2.524 3.823 ( 3.566 0.000 0.000) 3.566 4.073 ( 4.504 0.000 0.000) 4.504 4.198 ( -1.648 0.000 0.000) 1.648 4.445 ( -1.944 0.000 0.000) 1.944 4.528 ( 0.813 0.000 0.000) 0.813 4.826 ( -3.710 0.000 0.000) 3.710 5.182 ( 11.851 0.000 0.000) 11.851 6.122 ( -4.749 0.000 0.000) 4.749 8.976 ( 0.696 0.000 0.000) 0.696 9.086 ( -1.021 0.000 0.000) 1.021 9.129 ( 0.250 0.000 0.000) 0.250 9.149 ( 0.099 0.000 0.000) 0.099 9.485 ( 0.711 0.000 0.000) 0.711 9.556 ( -0.107 0.000 0.000) 0.107 9.750 ( 1.523 0.000 0.000) 1.523 10.048 ( -2.640 0.000 0.000) 2.640 23.897 ( 0.150 0.000 0.000) 0.150 23.947 ( 1.088 0.000 0.000) 1.088 23.950 ( -0.639 0.000 0.000) 0.639 24.074 ( -0.710 0.000 0.000) 0.710 27.067 ( 6.638 0.000 0.000) 6.638 27.227 ( 1.277 0.000 0.000) 1.277 27.332 ( 1.317 0.000 0.000) 1.317 27.417 ( -1.515 0.000 0.000) 1.515 27.500 ( -1.086 0.000 0.000) 1.086 27.847 ( -4.856 0.000 0.000) 4.856 28.214 ( 0.936 0.000 0.000) 0.936 28.259 ( 0.331 0.000 0.000) 0.331 49.680 ( 0.520 0.000 0.000) 0.520 49.746 ( -0.019 0.000 0.000) 0.019 49.844 ( -0.159 0.000 0.000) 0.159 49.910 ( -0.675 0.000 0.000) 0.675 89.312 ( -0.191 0.000 0.000) 0.191 89.328 ( 0.022 0.000 0.000) 0.022 89.331 ( -0.290 0.000 0.000) 0.290 89.333 ( 0.121 0.000 0.000) 0.121 93.172 ( 1.145 0.000 0.000) 1.145 93.216 ( 2.266 0.000 0.000) 2.266 93.389 ( 1.537 0.000 0.000) 1.537 93.964 ( -5.154 0.000 0.000) 5.154 ======================= Grid point 2 (3/112) ======================= q-point: ( 0.33 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 112 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.578 ( 12.124 0.000 0.000) 12.124 0.736 ( 15.076 0.000 0.000) 15.076 0.976 ( -6.636 0.000 0.000) 6.636 1.137 ( 1.872 0.000 0.000) 1.872 1.427 ( 2.459 0.000 0.000) 2.459 1.448 ( 16.489 0.000 0.000) 16.489 1.486 ( 1.209 0.000 0.000) 1.209 1.534 ( -2.220 0.000 0.000) 2.220 1.852 ( -2.070 0.000 0.000) 2.070 2.061 ( 12.641 0.000 0.000) 12.641 2.552 ( -5.474 0.000 0.000) 5.474 2.704 ( 0.790 0.000 0.000) 0.790 2.733 ( -0.533 0.000 0.000) 0.533 2.768 ( -24.680 0.000 0.000) 24.680 2.841 ( 1.005 0.000 0.000) 1.005 2.973 ( -3.785 0.000 0.000) 3.785 3.009 ( 2.331 0.000 0.000) 2.331 3.097 ( -1.505 0.000 0.000) 1.505 3.361 ( 2.327 0.000 0.000) 2.327 3.446 ( -2.122 0.000 0.000) 2.122 3.922 ( 5.544 0.000 0.000) 5.544 4.140 ( -3.847 0.000 0.000) 3.847 4.187 ( 5.862 0.000 0.000) 5.862 4.390 ( -3.352 0.000 0.000) 3.352 4.559 ( 2.255 0.000 0.000) 2.255 4.729 ( -5.134 0.000 0.000) 5.134 5.466 ( 14.208 0.000 0.000) 14.208 5.977 ( -9.027 0.000 0.000) 9.027 8.997 ( 1.252 0.000 0.000) 1.252 9.059 ( -1.488 0.000 0.000) 1.488 9.136 ( 0.384 0.000 0.000) 0.384 9.149 ( -0.122 0.000 0.000) 0.122 9.505 ( 1.134 0.000 0.000) 1.134 9.549 ( -0.652 0.000 0.000) 0.652 9.800 ( 3.226 0.000 0.000) 3.226 9.973 ( -4.219 0.000 0.000) 4.219 23.903 ( 0.429 0.000 0.000) 0.429 23.933 ( -0.907 0.000 0.000) 0.907 23.978 ( 1.776 0.000 0.000) 1.776 24.052 ( -1.410 0.000 0.000) 1.410 27.254 ( 10.635 0.000 0.000) 10.635 27.265 ( 2.265 0.000 0.000) 2.265 27.370 ( 2.214 0.000 0.000) 2.214 27.374 ( -2.478 0.000 0.000) 2.478 27.467 ( -2.006 0.000 0.000) 2.006 27.701 ( -8.850 0.000 0.000) 8.850 28.238 ( 1.185 0.000 0.000) 1.185 28.264 ( 0.054 0.000 0.000) 0.054 49.696 ( 0.985 0.000 0.000) 0.985 49.740 ( -0.699 0.000 0.000) 0.699 49.846 ( 0.529 0.000 0.000) 0.529 49.891 ( -1.146 0.000 0.000) 1.146 89.310 ( -0.004 0.000 0.000) 0.004 89.321 ( -0.456 0.000 0.000) 0.456 89.330 ( 0.116 0.000 0.000) 0.116 89.334 ( 0.005 0.000 0.000) 0.005 93.203 ( 1.717 0.000 0.000) 1.717 93.250 ( 0.424 0.000 0.000) 0.424 93.466 ( 6.106 0.000 0.000) 6.106 93.817 ( -8.441 0.000 0.000) 8.441 ======================= Grid point 3 (4/112) ======================= q-point: (-0.50 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 56 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.806 ( -9.544 0.000 0.000) 9.544 0.806 ( 9.544 0.000 0.000) 9.544 1.005 ( -10.365 0.000 0.000) 10.365 1.005 ( 10.365 0.000 0.000) 10.365 1.482 ( -2.672 0.000 0.000) 2.672 1.482 ( 2.672 0.000 0.000) 2.672 1.548 ( -3.967 0.000 0.000) 3.967 1.548 ( 3.967 0.000 0.000) 3.967 2.155 ( -20.411 0.000 0.000) 20.411 2.155 ( 20.411 0.000 0.000) 20.411 2.386 ( -5.588 0.000 0.000) 5.588 2.386 ( 5.588 0.000 0.000) 5.588 2.720 ( -0.697 0.000 0.000) 0.697 2.720 ( 0.697 0.000 0.000) 0.697 2.893 ( -3.566 0.000 0.000) 3.566 2.893 ( 3.566 0.000 0.000) 3.566 3.058 ( -2.171 0.000 0.000) 2.171 3.058 ( 2.171 0.000 0.000) 2.171 3.406 ( -1.910 0.000 0.000) 1.910 3.406 ( 1.910 0.000 0.000) 1.910 4.041 ( -5.454 0.000 0.000) 5.454 4.041 ( 5.454 0.000 0.000) 5.454 4.303 ( -4.959 0.000 0.000) 4.959 4.303 ( 4.959 0.000 0.000) 4.959 4.627 ( -4.261 0.000 0.000) 4.261 4.627 ( 4.261 0.000 0.000) 4.261 5.750 ( -12.439 0.000 0.000) 12.439 5.750 ( 12.439 0.000 0.000) 12.439 9.026 ( -1.542 0.000 0.000) 1.542 9.026 ( 1.542 0.000 0.000) 1.542 9.144 ( -0.334 0.000 0.000) 0.334 9.144 ( 0.334 0.000 0.000) 0.334 9.530 ( -1.110 0.000 0.000) 1.110 9.530 ( 1.110 0.000 0.000) 1.110 9.881 ( -4.341 0.000 0.000) 4.341 9.881 ( 4.341 0.000 0.000) 4.341 23.915 ( -0.763 0.000 0.000) 0.763 23.915 ( 0.763 0.000 0.000) 0.763 24.017 ( -1.859 0.000 0.000) 1.859 24.017 ( 1.859 0.000 0.000) 1.859 27.319 ( -2.716 0.000 0.000) 2.716 27.319 ( 2.716 0.000 0.000) 2.716 27.420 ( -2.449 0.000 0.000) 2.449 27.420 ( 2.449 0.000 0.000) 2.449 27.488 ( -11.137 0.000 0.000) 11.137 27.488 ( 11.137 0.000 0.000) 11.137 28.258 ( -0.669 0.000 0.000) 0.669 28.258 ( 0.669 0.000 0.000) 0.669 49.719 ( -1.167 0.000 0.000) 1.167 49.719 ( 1.167 0.000 0.000) 1.167 49.865 ( -1.171 0.000 0.000) 1.171 49.865 ( 1.171 0.000 0.000) 1.171 89.313 ( -0.298 0.000 0.000) 0.298 89.313 ( 0.298 0.000 0.000) 0.298 89.333 ( -0.101 0.000 0.000) 0.101 89.333 ( 0.101 0.000 0.000) 0.101 93.237 ( -1.354 0.000 0.000) 1.354 93.237 ( 1.354 0.000 0.000) 1.354 93.630 ( -8.927 0.000 0.000) 8.927 93.630 ( 8.927 0.000 0.000) 8.927 ======================= Grid point 7 (5/112) ======================= q-point: ( 0.00 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.283 ( 0.000 14.420 0.000) 14.420 0.393 ( 0.000 19.038 0.000) 19.038 0.721 ( 0.000 32.212 0.000) 32.212 1.285 ( 0.000 13.161 0.000) 13.161 1.427 ( 0.000 8.936 0.000) 8.936 1.464 ( 0.000 8.847 0.000) 8.847 1.554 ( 0.000 5.905 0.000) 5.905 1.609 ( 0.000 2.307 0.000) 2.307 1.687 ( 0.000 -3.552 0.000) 3.552 2.082 ( 0.000 -2.225 0.000) 2.225 2.275 ( 0.000 -2.555 0.000) 2.555 2.783 ( 0.000 7.851 0.000) 7.851 2.850 ( 0.000 -1.360 0.000) 1.360 3.037 ( 0.000 5.420 0.000) 5.420 3.071 ( 0.000 0.708 0.000) 0.708 3.202 ( 0.000 6.832 0.000) 6.832 3.257 ( 0.000 -0.342 0.000) 0.342 3.446 ( 0.000 0.593 0.000) 0.593 3.452 ( 0.000 0.499 0.000) 0.499 3.768 ( 0.000 -3.347 0.000) 3.347 3.813 ( 0.000 4.726 0.000) 4.726 4.110 ( 0.000 7.694 0.000) 7.694 4.236 ( 0.000 2.365 0.000) 2.365 4.432 ( 0.000 -1.034 0.000) 1.034 4.443 ( 0.000 -2.301 0.000) 2.301 4.516 ( 0.000 -0.107 0.000) 0.107 4.774 ( 0.000 -8.857 0.000) 8.857 4.970 ( 0.000 -6.502 0.000) 6.502 9.125 ( 0.000 14.521 0.000) 14.521 9.160 ( 0.000 2.343 0.000) 2.343 9.213 ( 0.000 5.574 0.000) 5.574 9.444 ( 0.000 -3.252 0.000) 3.252 9.594 ( 0.000 4.543 0.000) 4.543 9.690 ( 0.000 -4.114 0.000) 4.114 10.016 ( 0.000 -0.700 0.000) 0.700 11.026 ( 0.000 -0.037 0.000) 0.037 24.070 ( 0.000 13.029 0.000) 13.029 24.099 ( 0.000 13.671 0.000) 13.671 24.208 ( 0.000 12.261 0.000) 12.261 24.556 ( 0.000 8.992 0.000) 8.992 26.978 ( 0.000 -1.554 0.000) 1.554 26.984 ( 0.000 -2.045 0.000) 2.045 27.360 ( 0.000 3.924 0.000) 3.924 27.426 ( 0.000 3.171 0.000) 3.171 27.436 ( 0.000 0.197 0.000) 0.197 27.500 ( 0.000 -1.151 0.000) 1.151 27.924 ( 0.000 2.495 0.000) 2.495 28.276 ( 0.000 2.039 0.000) 2.039 49.610 ( 0.000 -6.290 0.000) 6.290 49.673 ( 0.000 -7.107 0.000) 7.107 49.770 ( 0.000 -7.450 0.000) 7.450 49.831 ( 0.000 -7.416 0.000) 7.416 89.431 ( 0.000 11.045 0.000) 11.045 89.490 ( 0.000 15.114 0.000) 15.114 89.499 ( 0.000 15.595 0.000) 15.595 92.895 ( 0.000 -19.436 0.000) 19.436 93.164 ( 0.000 2.688 0.000) 2.688 93.181 ( 0.000 2.314 0.000) 2.314 93.730 ( 0.000 16.888 0.000) 16.888 93.971 ( 0.000 -4.552 0.000) 4.552 ======================= Grid point 8 (6/112) ======================= q-point: ( 0.17 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.537 ( 11.593 12.772 0.000) 17.249 0.588 ( 14.593 11.546 0.000) 18.608 0.882 ( 17.020 20.833 0.000) 26.902 1.247 ( -3.492 12.852 0.000) 13.318 1.385 ( -2.288 5.866 0.000) 6.296 1.462 ( -0.165 7.342 0.000) 7.344 1.560 ( 0.803 7.639 0.000) 7.681 1.621 ( 0.441 4.742 0.000) 4.762 1.780 ( 8.382 -3.864 0.000) 9.230 1.971 ( -6.567 -0.565 0.000) 6.591 2.392 ( 4.716 -6.922 0.000) 8.375 2.775 ( -1.356 5.859 0.000) 6.014 2.831 ( -1.200 -1.413 0.000) 1.854 3.043 ( -2.584 0.327 0.000) 2.604 3.063 ( 1.905 6.601 0.000) 6.871 3.190 ( -2.653 6.172 0.000) 6.718 3.228 ( -6.058 3.301 0.000) 6.898 3.263 ( -13.818 23.604 0.000) 27.351 3.336 ( -3.953 1.017 0.000) 4.082 3.489 ( -5.185 -0.162 0.000) 5.188 3.847 ( 3.091 3.431 0.000) 4.618 4.101 ( 4.053 3.432 0.000) 5.311 4.219 ( -1.791 2.144 0.000) 2.794 4.428 ( -1.400 -1.572 0.000) 2.105 4.499 ( 0.755 -2.800 0.000) 2.900 4.740 ( -2.932 -7.962 0.000) 8.485 5.092 ( 10.036 -8.443 0.000) 13.115 5.223 ( 30.658 -38.019 0.000) 48.840 9.134 ( 0.769 13.606 0.000) 13.628 9.168 ( 0.894 3.622 0.000) 3.731 9.207 ( -0.571 5.626 0.000) 5.655 9.448 ( 0.177 -2.919 0.000) 2.924 9.589 ( -0.482 3.860 0.000) 3.890 9.711 ( 1.948 -3.206 0.000) 3.752 9.970 ( -6.118 6.408 0.000) 8.860 10.241 ( -38.854 37.332 0.000) 53.882 24.080 ( 0.940 12.875 0.000) 12.910 24.093 ( -0.518 13.769 0.000) 13.778 24.200 ( -0.748 12.211 0.000) 12.234 24.242 ( -12.362 23.341 0.000) 26.412 27.037 ( 5.659 -2.472 0.000) 6.175 27.215 ( 6.146 -3.503 0.000) 7.074 27.352 ( 0.923 2.933 0.000) 3.075 27.417 ( -1.768 -0.067 0.000) 1.770 27.489 ( -0.970 -1.048 0.000) 1.427 27.805 ( 21.380 -18.229 0.000) 28.096 27.873 ( -4.722 2.620 0.000) 5.400 28.273 ( -0.332 1.429 0.000) 1.467 49.614 ( 0.415 -6.400 0.000) 6.414 49.673 ( -0.029 -7.124 0.000) 7.124 49.768 ( -0.115 -7.398 0.000) 7.399 49.829 ( -0.426 -7.652 0.000) 7.664 89.432 ( 0.162 11.379 0.000) 11.380 89.491 ( -0.678 15.276 0.000) 15.291 89.508 ( 1.709 16.551 0.000) 16.639 91.203 ( -89.206 88.775 0.000) 125.852 93.194 ( 1.199 2.352 0.000) 2.640 93.262 ( 4.772 1.409 0.000) 4.975 93.394 ( -4.738 6.907 0.000) 8.375 93.918 ( -4.890 -4.237 0.000) 6.470 ======================= Grid point 9 (7/112) ======================= q-point: ( 0.33 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.799 ( 12.200 6.616 0.000) 13.879 0.812 ( 9.045 15.651 0.000) 18.077 1.144 ( -0.847 3.102 0.000) 3.215 1.144 ( -6.147 13.025 0.000) 14.403 1.468 ( 1.258 5.024 0.000) 5.179 1.514 ( 17.070 7.211 0.000) 18.530 1.592 ( 2.196 9.290 0.000) 9.546 1.608 ( -1.523 5.973 0.000) 6.165 1.857 ( -1.786 1.314 0.000) 2.217 2.005 ( 12.097 -4.436 0.000) 12.885 2.405 ( -3.513 -7.526 0.000) 8.306 2.631 ( -16.038 -3.446 0.000) 16.404 2.828 ( 1.312 -1.177 0.000) 1.763 2.957 ( -4.762 2.891 0.000) 5.571 3.008 ( -4.878 13.425 0.000) 14.284 3.047 ( -4.236 19.245 0.000) 19.705 3.134 ( 0.751 11.278 0.000) 11.303 3.185 ( -1.045 7.789 0.000) 7.859 3.343 ( 1.632 -1.575 0.000) 2.268 3.413 ( -2.559 -2.671 0.000) 3.699 3.939 ( 5.343 2.079 0.000) 5.733 4.158 ( -4.007 1.753 0.000) 4.374 4.207 ( 5.405 2.387 0.000) 5.909 4.385 ( -2.725 -0.249 0.000) 2.736 4.525 ( 1.867 -3.167 0.000) 3.676 4.663 ( -4.101 -6.157 0.000) 7.397 5.326 ( 11.154 -12.568 0.000) 16.803 5.557 ( 4.601 -29.819 0.000) 30.172 9.153 ( 0.931 9.463 0.000) 9.509 9.191 ( -0.872 5.917 0.000) 5.981 9.206 ( 2.895 9.273 0.000) 9.715 9.424 ( -3.922 4.001 0.000) 5.603 9.576 ( -0.727 3.731 0.000) 3.801 9.643 ( -11.297 29.796 0.000) 31.866 9.768 ( 3.429 -2.268 0.000) 4.111 9.944 ( -4.745 -2.014 0.000) 5.155 24.081 ( -0.534 14.161 0.000) 14.171 24.103 ( -1.690 16.392 0.000) 16.479 24.109 ( 0.407 14.272 0.000) 14.278 24.177 ( -1.403 12.159 0.000) 12.240 27.178 ( 6.666 -3.756 0.000) 7.651 27.325 ( 5.589 0.154 0.000) 5.592 27.366 ( -3.070 -0.838 0.000) 3.182 27.393 ( 3.359 3.867 0.000) 5.122 27.459 ( -1.878 -0.889 0.000) 2.078 27.733 ( -8.431 3.093 0.000) 8.980 28.092 ( 8.113 -10.872 0.000) 13.566 28.257 ( -1.412 -0.489 0.000) 1.494 49.627 ( 0.864 -6.648 0.000) 6.704 49.667 ( -0.648 -7.091 0.000) 7.121 49.771 ( 0.532 -7.335 0.000) 7.354 49.813 ( -1.032 -7.528 0.000) 7.599 89.439 ( 0.511 12.217 0.000) 12.227 89.473 ( -0.982 14.432 0.000) 14.465 89.568 ( 4.295 21.679 0.000) 22.101 90.078 ( -28.459 58.539 0.000) 65.090 93.228 ( 1.942 2.582 0.000) 3.231 93.309 ( -1.236 6.108 0.000) 6.232 93.421 ( 6.841 -3.586 0.000) 7.724 93.777 ( -8.132 -3.506 0.000) 8.856 ======================= Grid point 10 (8/112) ======================= q-point: (-0.50 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.984 ( -4.841 10.260 0.000) 11.345 0.984 ( 4.841 10.260 0.000) 11.345 1.030 ( -5.355 7.145 0.000) 8.929 1.030 ( 5.355 7.145 0.000) 8.929 1.528 ( -4.103 4.379 0.000) 6.001 1.528 ( 4.103 4.379 0.000) 6.001 1.647 ( -2.547 8.916 0.000) 9.272 1.647 ( 2.547 8.916 0.000) 9.272 2.151 ( -20.891 -0.193 0.000) 20.891 2.151 ( 20.891 -0.193 0.000) 20.891 2.264 ( -6.500 -7.462 0.000) 9.896 2.264 ( 6.500 -7.462 0.000) 9.896 2.884 ( -3.476 -0.528 0.000) 3.516 2.884 ( 3.476 -0.528 0.000) 3.516 2.980 ( -1.661 19.286 0.000) 19.357 2.980 ( 1.661 19.286 0.000) 19.357 3.161 ( -1.254 8.839 0.000) 8.928 3.161 ( 1.254 8.839 0.000) 8.928 3.375 ( -1.417 -2.846 0.000) 3.179 3.375 ( 1.417 -2.846 0.000) 3.179 4.056 ( -5.475 1.618 0.000) 5.709 4.056 ( 5.475 1.618 0.000) 5.709 4.311 ( -4.320 1.157 0.000) 4.473 4.311 ( 4.320 1.157 0.000) 4.473 4.581 ( -3.433 -4.300 0.000) 5.503 4.581 ( 3.433 -4.300 0.000) 5.503 5.521 ( -6.569 -19.149 0.000) 20.244 5.521 ( 6.569 -19.149 0.000) 20.244 9.172 ( -0.935 6.776 0.000) 6.841 9.172 ( 0.935 6.776 0.000) 6.841 9.297 ( -5.870 14.268 0.000) 15.428 9.297 ( 5.870 14.268 0.000) 15.428 9.565 ( -0.046 7.083 0.000) 7.083 9.565 ( 0.046 7.083 0.000) 7.083 9.850 ( -4.299 -2.172 0.000) 4.817 9.850 ( 4.299 -2.172 0.000) 4.817 24.076 ( -0.298 15.249 0.000) 15.252 24.076 ( 0.298 15.249 0.000) 15.252 24.143 ( -1.745 12.273 0.000) 12.396 24.143 ( 1.745 12.273 0.000) 12.396 27.290 ( -4.235 -2.343 0.000) 4.840 27.290 ( 4.235 -2.343 0.000) 4.840 27.412 ( -2.706 -1.029 0.000) 2.895 27.412 ( 2.706 -1.029 0.000) 2.895 27.538 ( -9.505 4.421 0.000) 10.483 27.538 ( 9.505 4.421 0.000) 10.483 28.207 ( -3.565 -4.165 0.000) 5.482 28.207 ( 3.565 -4.165 0.000) 5.482 49.648 ( -1.053 -6.907 0.000) 6.987 49.648 ( 1.053 -6.907 0.000) 6.987 49.789 ( -1.109 -7.391 0.000) 7.473 49.789 ( 1.109 -7.391 0.000) 7.473 89.453 ( -0.860 13.318 0.000) 13.345 89.453 ( 0.860 13.318 0.000) 13.345 89.710 ( -10.272 33.394 0.000) 34.938 89.710 ( 10.272 33.394 0.000) 34.938 93.271 ( -2.051 3.391 0.000) 3.963 93.271 ( 2.051 3.391 0.000) 3.963 93.594 ( -8.963 -2.913 0.000) 9.425 93.594 ( 8.963 -2.913 0.000) 9.425 ======================= Grid point 14 (9/112) ======================= q-point: ( 0.00 0.17 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 112 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.580 ( 0.000 15.066 0.000) 15.066 0.753 ( 0.000 16.725 0.000) 16.725 1.220 ( 0.000 17.242 0.000) 17.242 1.502 ( 0.000 7.693 0.000) 7.693 1.593 ( 0.000 -3.460 0.000) 3.460 1.671 ( 0.000 3.780 0.000) 3.780 1.689 ( 0.000 10.380 0.000) 10.380 1.720 ( 0.000 19.329 0.000) 19.329 1.773 ( 0.000 14.739 0.000) 14.739 2.021 ( 0.000 -3.595 0.000) 3.595 2.253 ( 0.000 0.567 0.000) 0.567 2.810 ( 0.000 -2.569 0.000) 2.569 2.892 ( 0.000 1.628 0.000) 1.628 3.063 ( 0.000 -2.612 0.000) 2.612 3.081 ( 0.000 -0.110 0.000) 0.110 3.249 ( 0.000 -0.498 0.000) 0.498 3.356 ( 0.000 7.104 0.000) 7.104 3.440 ( 0.000 -2.635 0.000) 2.635 3.502 ( 0.000 4.135 0.000) 4.135 3.686 ( 0.000 -4.886 0.000) 4.886 4.029 ( 0.000 16.295 0.000) 16.295 4.271 ( 0.000 6.198 0.000) 6.198 4.315 ( 0.000 5.617 0.000) 5.617 4.388 ( 0.000 -2.841 0.000) 2.841 4.404 ( 0.000 -1.623 0.000) 1.623 4.552 ( 0.000 5.400 0.000) 5.400 4.570 ( 0.000 -9.618 0.000) 9.618 4.791 ( 0.000 -10.879 0.000) 10.879 9.184 ( 0.000 0.065 0.000) 0.065 9.303 ( 0.000 1.797 0.000) 1.797 9.357 ( 0.000 -5.052 0.000) 5.052 9.457 ( 0.000 12.054 0.000) 12.054 9.623 ( 0.000 3.016 0.000) 3.016 9.764 ( 0.000 11.956 0.000) 11.956 10.058 ( 0.000 6.119 0.000) 6.119 11.022 ( 0.000 -0.351 0.000) 0.351 24.429 ( 0.000 21.868 0.000) 21.868 24.477 ( 0.000 23.050 0.000) 23.050 24.551 ( 0.000 21.168 0.000) 21.168 24.810 ( 0.000 15.729 0.000) 15.729 26.936 ( 0.000 -2.507 0.000) 2.507 26.939 ( 0.000 -2.164 0.000) 2.164 27.439 ( 0.000 0.049 0.000) 0.049 27.459 ( 0.000 5.657 0.000) 5.657 27.470 ( 0.000 -1.623 0.000) 1.623 27.510 ( 0.000 4.914 0.000) 4.914 27.999 ( 0.000 4.894 0.000) 4.894 28.332 ( 0.000 3.345 0.000) 3.345 49.432 ( 0.000 -11.083 0.000) 11.083 49.472 ( 0.000 -12.482 0.000) 12.482 49.560 ( 0.000 -13.110 0.000) 13.110 49.622 ( 0.000 -13.049 0.000) 13.049 89.724 ( 0.000 17.070 0.000) 17.070 89.881 ( 0.000 21.992 0.000) 21.992 89.903 ( 0.000 22.897 0.000) 22.897 92.497 ( 0.000 -19.734 0.000) 19.734 93.260 ( 0.000 7.255 0.000) 7.255 93.260 ( 0.000 5.785 0.000) 5.785 93.866 ( 0.000 -4.914 0.000) 4.914 94.049 ( 0.000 14.461 0.000) 14.461 ======================= Grid point 15 (10/112) ======================= q-point: ( 0.17 0.17 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.778 ( 14.306 9.623 0.000) 17.241 0.824 ( 6.359 14.662 0.000) 15.982 1.278 ( 4.753 15.238 0.000) 15.962 1.445 ( -4.087 6.485 0.000) 7.665 1.571 ( -3.239 9.850 0.000) 10.369 1.677 ( -0.234 7.247 0.000) 7.251 1.705 ( 7.909 1.827 0.000) 8.118 1.777 ( 1.218 12.160 0.000) 12.221 1.780 ( 0.880 13.239 0.000) 13.268 1.982 ( -2.753 1.267 0.000) 3.031 2.294 ( 1.943 -2.917 0.000) 3.505 2.793 ( -1.002 -2.331 0.000) 2.537 2.826 ( -7.095 -0.973 0.000) 7.162 3.040 ( -3.520 -0.476 0.000) 3.552 3.104 ( 3.491 -2.570 0.000) 4.335 3.255 ( 0.447 -0.358 0.000) 0.572 3.348 ( -0.851 6.947 0.000) 6.999 3.438 ( -0.743 -1.753 0.000) 1.904 3.443 ( -3.909 7.985 0.000) 8.890 3.573 ( -7.891 3.805 0.000) 8.760 4.023 ( -0.655 14.378 0.000) 14.393 4.233 ( 1.665 8.863 0.000) 9.018 4.282 ( -2.769 3.476 0.000) 4.444 4.404 ( 0.797 0.348 0.000) 0.870 4.428 ( 0.731 -3.733 0.000) 3.804 4.553 ( -1.406 -8.988 0.000) 9.097 4.805 ( 16.215 -8.196 0.000) 18.168 4.875 ( 6.969 -12.439 0.000) 14.258 9.188 ( 0.456 -0.167 0.000) 0.485 9.287 ( -1.129 0.308 0.000) 1.170 9.378 ( 1.582 -3.194 0.000) 3.565 9.456 ( -0.089 10.208 0.000) 10.208 9.638 ( 1.584 5.017 0.000) 5.261 9.787 ( 2.130 12.272 0.000) 12.455 10.031 ( -2.512 5.932 0.000) 6.443 10.721 ( -23.668 12.596 0.000) 26.811 24.436 ( 0.613 21.678 0.000) 21.686 24.472 ( -0.355 23.083 0.000) 23.086 24.542 ( -0.866 21.070 0.000) 21.088 24.686 ( -8.493 21.326 0.000) 22.955 26.983 ( 4.756 -2.674 0.000) 5.456 27.095 ( 9.863 -6.446 0.000) 11.783 27.413 ( -2.392 -0.396 0.000) 2.425 27.448 ( 0.977 6.003 0.000) 6.081 27.461 ( -0.968 -1.663 0.000) 1.924 27.668 ( 12.139 0.523 0.000) 12.150 27.951 ( -4.405 5.078 0.000) 6.723 28.316 ( -1.619 2.705 0.000) 3.153 49.433 ( 0.175 -11.215 0.000) 11.216 49.472 ( -0.044 -12.498 0.000) 12.498 49.559 ( 0.001 -13.022 0.000) 13.022 49.617 ( -0.477 -13.091 0.000) 13.100 89.733 ( 0.898 17.500 0.000) 17.523 89.888 ( -1.367 22.519 0.000) 22.561 89.929 ( 4.768 23.370 0.000) 23.851 92.027 ( -42.358 7.262 0.000) 42.976 93.274 ( 1.253 5.756 0.000) 5.891 93.288 ( 2.780 4.433 0.000) 5.232 93.735 ( -17.249 21.561 0.000) 27.611 93.824 ( -3.867 -4.071 0.000) 5.615 ======================= Grid point 16 (11/112) ======================= q-point: ( 0.33 0.17 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 152 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.991 ( 8.667 11.624 0.000) 14.500 1.033 ( 8.920 7.352 0.000) 11.559 1.302 ( -2.834 10.880 0.000) 11.243 1.346 ( -5.034 6.390 0.000) 8.134 1.653 ( -0.965 11.562 0.000) 11.602 1.699 ( 11.249 5.666 0.000) 12.596 1.759 ( 0.908 12.388 0.000) 12.421 1.807 ( 2.025 10.939 0.000) 11.124 1.925 ( 11.294 -2.328 0.000) 11.531 1.930 ( -1.665 5.915 0.000) 6.145 2.283 ( -3.467 -4.625 0.000) 5.780 2.568 ( -17.110 -2.792 0.000) 17.336 2.798 ( 1.819 -1.740 0.000) 2.517 2.955 ( -4.273 -0.565 0.000) 4.310 3.189 ( 4.172 -2.164 0.000) 4.700 3.266 ( 0.711 0.323 0.000) 0.781 3.321 ( -1.516 7.085 0.000) 7.245 3.380 ( -4.311 1.727 0.000) 4.644 3.395 ( -0.653 10.524 0.000) 10.545 3.454 ( -3.178 10.564 0.000) 11.031 4.040 ( 2.583 9.175 0.000) 9.532 4.208 ( -4.091 3.229 0.000) 5.211 4.304 ( 3.856 7.240 0.000) 8.203 4.406 ( -0.726 3.143 0.000) 3.226 4.446 ( 1.134 -4.186 0.000) 4.337 4.517 ( -1.928 -7.272 0.000) 7.523 5.032 ( 6.987 -15.190 0.000) 16.719 5.068 ( 7.787 -17.149 0.000) 18.834 9.204 ( 1.083 -0.651 0.000) 1.264 9.261 ( -1.337 -0.601 0.000) 1.466 9.412 ( 1.553 -1.143 0.000) 1.928 9.452 ( -0.332 5.790 0.000) 5.800 9.698 ( 4.415 9.143 0.000) 10.153 9.849 ( 3.829 13.785 0.000) 14.307 9.956 ( -4.652 5.298 0.000) 7.051 10.240 ( -19.333 23.670 0.000) 30.562 24.455 ( 1.143 21.255 0.000) 21.286 24.467 ( -0.059 23.211 0.000) 23.211 24.517 ( -1.402 20.956 0.000) 21.003 24.543 ( -4.688 23.986 0.000) 24.440 27.109 ( 6.571 -3.154 0.000) 7.289 27.265 ( 6.318 -5.219 0.000) 8.195 27.343 ( -4.178 -1.303 0.000) 4.376 27.428 ( -2.202 -2.236 0.000) 3.138 27.509 ( 4.893 6.782 0.000) 8.363 27.822 ( -7.635 5.660 0.000) 9.504 27.935 ( 11.806 -3.552 0.000) 12.329 28.258 ( -4.048 0.846 0.000) 4.136 49.440 ( 0.504 -11.595 0.000) 11.606 49.467 ( -0.489 -12.409 0.000) 12.418 49.564 ( 0.554 -12.908 0.000) 12.920 49.602 ( -0.917 -13.062 0.000) 13.094 89.761 ( 1.711 18.620 0.000) 18.699 89.850 ( -2.151 21.493 0.000) 21.600 90.093 ( 11.372 27.581 0.000) 29.833 91.086 ( -40.010 34.878 0.000) 53.078 93.311 ( 2.215 5.673 0.000) 6.090 93.364 ( 3.271 0.328 0.000) 3.288 93.525 ( -3.631 14.599 0.000) 15.044 93.714 ( -6.403 -1.631 0.000) 6.607 ======================= Grid point 17 (12/112) ======================= q-point: (-0.50 0.17 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.128 ( -1.903 8.703 0.000) 8.909 1.128 ( 1.903 8.703 0.000) 8.909 1.259 ( -1.558 9.236 0.000) 9.366 1.259 ( 1.558 9.236 0.000) 9.366 1.665 ( -2.534 8.683 0.000) 9.045 1.665 ( 2.534 8.683 0.000) 9.045 1.854 ( -2.079 10.578 0.000) 10.780 1.854 ( 2.079 10.578 0.000) 10.780 2.143 ( -1.951 -3.946 0.000) 4.402 2.143 ( 1.951 -3.946 0.000) 4.402 2.161 ( -13.523 1.077 0.000) 13.565 2.161 ( 13.523 1.077 0.000) 13.565 2.865 ( -4.154 -1.127 0.000) 4.305 2.865 ( 4.154 -1.127 0.000) 4.305 3.262 ( -2.368 -2.769 0.000) 3.643 3.262 ( 2.368 -2.769 0.000) 3.643 3.310 ( -1.823 7.757 0.000) 7.969 3.310 ( 1.823 7.757 0.000) 7.969 3.406 ( -1.548 10.862 0.000) 10.971 3.406 ( 1.548 10.862 0.000) 10.971 4.117 ( -4.335 5.178 0.000) 6.753 4.117 ( 4.335 5.178 0.000) 6.753 4.372 ( -2.488 5.204 0.000) 5.768 4.372 ( 2.488 5.204 0.000) 5.768 4.477 ( -1.781 -5.312 0.000) 5.603 4.477 ( 1.781 -5.312 0.000) 5.603 5.129 ( -1.479 -17.523 0.000) 17.585 5.129 ( 1.479 -17.523 0.000) 17.585 9.232 ( -1.454 -0.895 0.000) 1.707 9.232 ( 1.454 -0.895 0.000) 1.707 9.439 ( -0.967 1.579 0.000) 1.852 9.439 ( 0.967 1.579 0.000) 1.852 9.828 ( -7.350 8.353 0.000) 11.126 9.828 ( 7.350 8.353 0.000) 11.126 9.960 ( -7.731 19.897 0.000) 21.347 9.960 ( 7.731 19.897 0.000) 21.347 24.475 ( -0.338 22.479 0.000) 22.482 24.475 ( 0.338 22.479 0.000) 22.482 24.490 ( -0.362 22.149 0.000) 22.152 24.490 ( 0.362 22.149 0.000) 22.152 27.240 ( -5.694 -2.506 0.000) 6.221 27.240 ( 5.694 -2.506 0.000) 6.221 27.367 ( -3.695 -3.455 0.000) 5.059 27.367 ( 3.695 -3.455 0.000) 5.059 27.650 ( -8.133 6.589 0.000) 10.467 27.650 ( 8.133 6.589 0.000) 10.467 28.138 ( -7.562 -1.855 0.000) 7.786 28.138 ( 7.562 -1.855 0.000) 7.786 49.454 ( -0.719 -12.061 0.000) 12.083 49.454 ( 0.719 -12.061 0.000) 12.083 49.581 ( -1.002 -12.954 0.000) 12.993 49.581 ( 1.002 -12.954 0.000) 12.993 89.803 ( -2.208 20.079 0.000) 20.200 89.803 ( 2.208 20.079 0.000) 20.200 90.438 ( -22.552 33.812 0.000) 40.643 90.438 ( 22.552 33.812 0.000) 40.643 93.362 ( -2.370 4.802 0.000) 5.355 93.362 ( 2.370 4.802 0.000) 5.355 93.574 ( -6.195 3.224 0.000) 6.984 93.574 ( 6.195 3.224 0.000) 6.984 ======================= Grid point 21 (13/112) ======================= q-point: ( 0.00 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.881 ( 0.000 14.718 0.000) 14.718 1.061 ( 0.000 13.944 0.000) 13.944 1.481 ( 0.000 10.016 0.000) 10.016 1.509 ( 0.000 -4.140 0.000) 4.140 1.631 ( 0.000 5.543 0.000) 5.543 1.763 ( 0.000 5.588 0.000) 5.588 1.891 ( 0.000 8.380 0.000) 8.380 1.948 ( 0.000 -2.675 0.000) 2.675 2.058 ( 0.000 12.613 0.000) 12.613 2.103 ( 0.000 16.311 0.000) 16.311 2.284 ( 0.000 2.005 0.000) 2.005 2.748 ( 0.000 -3.548 0.000) 3.548 2.862 ( 0.000 -3.553 0.000) 3.553 2.977 ( 0.000 -5.198 0.000) 5.198 3.074 ( 0.000 -0.268 0.000) 0.268 3.239 ( 0.000 -0.409 0.000) 0.409 3.351 ( 0.000 -5.634 0.000) 5.634 3.445 ( 0.000 1.286 0.000) 1.286 3.509 ( 0.000 -4.805 0.000) 4.805 3.570 ( 0.000 -6.684 0.000) 6.684 4.309 ( 0.000 -5.652 0.000) 5.652 4.318 ( 0.000 -0.238 0.000) 0.238 4.367 ( 0.000 0.399 0.000) 0.399 4.391 ( 0.000 15.642 0.000) 15.642 4.449 ( 0.000 6.995 0.000) 6.995 4.488 ( 0.000 2.537 0.000) 2.537 4.553 ( 0.000 -12.250 0.000) 12.250 4.750 ( 0.000 12.380 0.000) 12.380 9.190 ( 0.000 1.230 0.000) 1.230 9.257 ( 0.000 -4.491 0.000) 4.491 9.283 ( 0.000 -2.647 0.000) 2.647 9.455 ( 0.000 -3.036 0.000) 3.036 9.934 ( 0.000 18.299 0.000) 18.299 10.033 ( 0.000 13.842 0.000) 13.842 10.254 ( 0.000 12.061 0.000) 12.061 11.009 ( 0.000 -1.062 0.000) 1.062 24.906 ( 0.000 24.541 0.000) 24.541 24.980 ( 0.000 25.982 0.000) 25.982 25.020 ( 0.000 24.512 0.000) 24.512 25.161 ( 0.000 18.472 0.000) 18.472 26.887 ( 0.000 -2.415 0.000) 2.415 26.894 ( 0.000 -2.275 0.000) 2.275 27.436 ( 0.000 -0.446 0.000) 0.446 27.439 ( 0.000 -1.474 0.000) 1.474 27.577 ( 0.000 5.873 0.000) 5.873 27.614 ( 0.000 5.268 0.000) 5.268 28.116 ( 0.000 6.589 0.000) 6.589 28.402 ( 0.000 3.467 0.000) 3.467 49.184 ( 0.000 -13.071 0.000) 13.071 49.194 ( 0.000 -14.671 0.000) 14.671 49.266 ( 0.000 -15.545 0.000) 15.545 49.330 ( 0.000 -15.466 0.000) 15.466 90.068 ( 0.000 16.218 0.000) 16.218 90.297 ( 0.000 17.911 0.000) 17.911 90.352 ( 0.000 20.654 0.000) 20.654 92.113 ( 0.000 -18.410 0.000) 18.410 93.419 ( 0.000 9.973 0.000) 9.973 93.465 ( 0.000 13.169 0.000) 13.169 93.809 ( 0.000 -0.162 0.000) 0.162 94.297 ( 0.000 10.050 0.000) 10.050 ======================= Grid point 22 (14/112) ======================= q-point: ( 0.17 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.987 ( 8.561 11.025 0.000) 13.959 1.101 ( 4.036 12.705 0.000) 13.331 1.526 ( 3.250 10.211 0.000) 10.716 1.533 ( -1.213 1.414 0.000) 1.863 1.640 ( 3.871 0.064 0.000) 3.872 1.713 ( -2.066 5.644 0.000) 6.010 1.913 ( 1.989 8.746 0.000) 8.969 1.971 ( 0.916 1.637 0.000) 1.876 2.045 ( -1.122 12.119 0.000) 12.171 2.095 ( -0.909 12.513 0.000) 12.546 2.276 ( -0.971 0.928 0.000) 1.343 2.740 ( -0.287 -2.962 0.000) 2.976 2.771 ( -8.543 -3.597 0.000) 9.269 3.013 ( 3.130 -5.493 0.000) 6.322 3.032 ( -3.555 -0.275 0.000) 3.565 3.235 ( -0.483 -1.163 0.000) 1.260 3.360 ( 0.545 -5.399 0.000) 5.427 3.429 ( -1.230 0.794 0.000) 1.464 3.507 ( -0.218 -3.113 0.000) 3.121 3.546 ( -1.826 -4.946 0.000) 5.272 4.298 ( -0.828 -3.103 0.000) 3.212 4.302 ( -1.389 6.189 0.000) 6.343 4.359 ( -0.289 -0.259 0.000) 0.388 4.417 ( 2.179 10.645 0.000) 10.866 4.447 ( -0.716 2.031 0.000) 2.154 4.485 ( 0.323 3.411 0.000) 3.426 4.630 ( 6.321 -9.667 0.000) 11.550 4.809 ( 4.443 6.909 0.000) 8.215 9.188 ( -0.129 0.905 0.000) 0.914 9.235 ( -1.234 -3.547 0.000) 3.756 9.317 ( 2.234 -3.304 0.000) 3.988 9.451 ( -0.427 -3.045 0.000) 3.075 9.940 ( 0.871 17.306 0.000) 17.328 10.075 ( 3.655 14.883 0.000) 15.325 10.227 ( -2.463 12.285 0.000) 12.529 10.872 ( -11.770 3.977 0.000) 12.424 24.909 ( 0.325 24.419 0.000) 24.421 24.975 ( -0.440 25.862 0.000) 25.865 25.008 ( -1.039 24.401 0.000) 24.423 25.110 ( -4.015 20.748 0.000) 21.133 26.932 ( 4.289 -2.467 0.000) 4.948 26.986 ( 7.344 -4.473 0.000) 8.599 27.400 ( -2.942 -0.887 0.000) 3.073 27.427 ( -1.570 -1.717 0.000) 2.326 27.576 ( 1.646 6.501 0.000) 6.706 27.723 ( 8.319 3.909 0.000) 9.192 28.072 ( -4.059 6.761 0.000) 7.886 28.376 ( -2.580 3.091 0.000) 4.026 49.183 ( -0.084 -13.201 0.000) 13.202 49.194 ( -0.030 -14.665 0.000) 14.665 49.267 ( 0.149 -15.455 0.000) 15.455 49.324 ( -0.484 -15.465 0.000) 15.473 90.085 ( 1.595 16.516 0.000) 16.593 90.330 ( -1.997 20.355 0.000) 20.452 90.362 ( 6.290 18.099 0.000) 19.161 91.931 ( -17.088 -11.446 0.000) 20.567 93.429 ( 0.969 9.718 0.000) 9.767 93.461 ( -0.259 12.359 0.000) 12.362 93.791 ( -1.565 1.378 0.000) 2.085 94.118 ( -13.680 15.527 0.000) 20.694 ======================= Grid point 23 (15/112) ======================= q-point: ( 0.33 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.166 ( 7.534 6.483 0.000) 9.940 1.228 ( 7.597 11.189 0.000) 13.524 1.445 ( -5.551 4.086 0.000) 6.893 1.529 ( -3.124 11.249 0.000) 11.675 1.767 ( 4.947 2.466 0.000) 5.528 1.768 ( 5.424 -0.675 0.000) 5.466 1.973 ( 3.716 8.237 0.000) 9.036 1.996 ( 3.982 8.694 0.000) 9.563 2.027 ( 0.254 8.887 0.000) 8.891 2.066 ( -1.687 6.867 0.000) 7.071 2.231 ( -3.644 0.019 0.000) 3.644 2.526 ( -14.078 -1.183 0.000) 14.128 2.761 ( 2.558 -1.946 0.000) 3.214 2.942 ( -4.773 -0.717 0.000) 4.827 3.092 ( 3.985 -5.784 0.000) 7.024 3.214 ( -1.595 -3.088 0.000) 3.476 3.365 ( 0.096 -3.204 0.000) 3.206 3.401 ( -1.432 0.405 0.000) 1.489 3.502 ( -0.131 -2.085 0.000) 2.089 3.514 ( -0.948 -3.362 0.000) 3.493 4.277 ( -0.745 10.552 0.000) 10.578 4.281 ( -0.685 1.882 0.000) 2.003 4.363 ( 0.667 -2.833 0.000) 2.911 4.421 ( -1.602 -0.678 0.000) 1.740 4.465 ( 2.048 7.177 0.000) 7.464 4.496 ( 0.407 3.882 0.000) 3.904 4.776 ( 6.645 -8.270 0.000) 10.609 4.887 ( 2.158 -1.035 0.000) 2.393 9.188 ( 0.137 -0.047 0.000) 0.145 9.212 ( -0.938 -2.662 0.000) 2.822 9.365 ( 2.242 -3.313 0.000) 4.000 9.436 ( -1.028 -3.088 0.000) 3.255 9.981 ( 3.038 15.898 0.000) 16.186 10.156 ( -4.170 12.979 0.000) 13.632 10.178 ( 6.206 16.068 0.000) 17.225 10.590 ( -13.568 12.066 0.000) 18.157 24.920 ( 0.811 24.160 0.000) 24.174 24.965 ( -0.560 25.240 0.000) 25.246 24.982 ( -1.121 24.479 0.000) 24.504 25.028 ( -3.256 23.655 0.000) 23.878 27.050 ( 6.588 -2.687 0.000) 7.115 27.149 ( 7.406 -5.686 0.000) 9.337 27.315 ( -5.095 -1.498 0.000) 5.311 27.374 ( -3.431 -2.990 0.000) 4.551 27.652 ( 5.472 7.320 0.000) 9.139 27.929 ( 10.535 1.859 0.000) 10.697 27.953 ( -7.013 7.190 0.000) 10.044 28.290 ( -5.670 2.161 0.000) 6.067 49.182 ( 0.046 -13.579 0.000) 13.579 49.191 ( -0.235 -14.509 0.000) 14.511 49.274 ( 0.597 -15.339 0.000) 15.350 49.310 ( -0.848 -15.432 0.000) 15.455 90.133 ( 2.868 17.322 0.000) 17.558 90.274 ( -3.250 19.537 0.000) 19.806 90.568 ( 13.586 18.040 0.000) 22.583 91.454 ( -25.989 4.746 0.000) 26.419 93.455 ( 1.278 8.787 0.000) 8.879 93.463 ( 0.501 9.667 0.000) 9.680 93.754 ( -1.569 5.994 0.000) 6.196 93.865 ( -8.957 17.376 0.000) 19.549 ======================= Grid point 24 (16/112) ======================= q-point: (-0.50 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.300 ( -5.013 6.860 0.000) 8.496 1.300 ( 5.013 6.860 0.000) 8.496 1.418 ( -6.539 8.228 0.000) 10.510 1.418 ( 6.539 8.228 0.000) 10.510 1.814 ( -0.300 4.777 0.000) 4.787 1.814 ( 0.300 4.777 0.000) 4.787 2.027 ( -1.860 5.846 0.000) 6.135 2.027 ( 1.860 5.846 0.000) 6.135 2.108 ( -5.032 1.519 0.000) 5.256 2.108 ( 5.032 1.519 0.000) 5.256 2.222 ( -12.943 4.714 0.000) 13.775 2.222 ( 12.943 4.714 0.000) 13.775 2.841 ( -4.684 -1.317 0.000) 4.865 2.841 ( 4.684 -1.317 0.000) 4.865 3.167 ( -2.978 -5.054 0.000) 5.866 3.167 ( 2.978 -5.054 0.000) 5.866 3.374 ( -0.899 -0.595 0.000) 1.078 3.374 ( 0.899 -0.595 0.000) 1.078 3.503 ( -0.239 -2.655 0.000) 2.666 3.503 ( 0.239 -2.655 0.000) 2.666 4.272 ( -0.168 7.465 0.000) 7.467 4.272 ( 0.168 7.465 0.000) 7.467 4.387 ( -1.492 -2.136 0.000) 2.606 4.387 ( 1.492 -2.136 0.000) 2.606 4.494 ( -0.703 4.922 0.000) 4.972 4.494 ( 0.703 4.922 0.000) 4.972 4.880 ( -2.862 -5.972 0.000) 6.622 4.880 ( 2.862 -5.972 0.000) 6.622 9.195 ( -0.607 -1.402 0.000) 1.528 9.195 ( 0.607 -1.402 0.000) 1.528 9.407 ( -1.719 -3.191 0.000) 3.624 9.407 ( 1.719 -3.191 0.000) 3.624 10.062 ( -4.479 14.286 0.000) 14.972 10.062 ( 4.479 14.286 0.000) 14.972 10.342 ( -9.732 15.955 0.000) 18.689 10.342 ( 9.732 15.955 0.000) 18.689 24.943 ( -1.268 24.068 0.000) 24.102 24.943 ( 1.268 24.068 0.000) 24.102 24.982 ( -1.124 24.968 0.000) 24.993 24.982 ( 1.124 24.968 0.000) 24.993 27.191 ( -6.555 -2.302 0.000) 6.947 27.191 ( 6.555 -2.302 0.000) 6.947 27.283 ( -5.314 -4.612 0.000) 7.036 27.283 ( 5.314 -4.612 0.000) 7.036 27.794 ( -7.665 7.565 0.000) 10.770 27.794 ( 7.665 7.565 0.000) 10.770 28.137 ( -8.869 1.356 0.000) 8.972 28.137 ( 8.869 1.356 0.000) 8.972 49.185 ( -0.252 -14.088 0.000) 14.091 49.185 ( 0.252 -14.088 0.000) 14.091 49.291 ( -0.919 -15.360 0.000) 15.387 49.291 ( 0.919 -15.360 0.000) 15.387 90.201 ( -3.502 18.425 0.000) 18.755 90.201 ( 3.502 18.425 0.000) 18.755 90.939 ( -21.724 15.184 0.000) 26.505 90.939 ( 21.724 15.184 0.000) 26.505 93.471 ( -0.064 7.728 0.000) 7.728 93.471 ( 0.064 7.728 0.000) 7.728 93.752 ( -2.100 12.780 0.000) 12.951 93.752 ( 2.100 12.780 0.000) 12.951 ======================= Grid point 28 (17/112) ======================= q-point: ( 0.00 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 112 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.159 ( 0.000 12.689 0.000) 12.689 1.315 ( 0.000 11.374 0.000) 11.374 1.440 ( 0.000 -2.309 0.000) 2.309 1.614 ( 0.000 2.471 0.000) 2.471 1.717 ( 0.000 2.709 0.000) 2.709 1.897 ( 0.000 7.631 0.000) 7.631 1.948 ( 0.000 3.933 0.000) 3.933 1.998 ( 0.000 1.887 0.000) 1.887 2.267 ( 0.000 8.376 0.000) 8.376 2.320 ( 0.000 1.471 0.000) 1.471 2.345 ( 0.000 7.386 0.000) 7.386 2.672 ( 0.000 -3.919 0.000) 3.919 2.777 ( 0.000 -4.883 0.000) 4.883 2.860 ( 0.000 -6.820 0.000) 6.820 3.073 ( 0.000 0.256 0.000) 0.256 3.233 ( 0.000 -0.264 0.000) 0.264 3.242 ( 0.000 -4.421 0.000) 4.421 3.362 ( 0.000 -7.547 0.000) 7.547 3.413 ( 0.000 -3.991 0.000) 3.991 3.426 ( 0.000 -7.325 0.000) 7.325 4.196 ( 0.000 -5.138 0.000) 5.138 4.304 ( 0.000 -0.811 0.000) 0.811 4.317 ( 0.000 -10.476 0.000) 10.476 4.336 ( 0.000 -1.484 0.000) 1.484 4.574 ( 0.000 4.772 0.000) 4.772 4.584 ( 0.000 4.971 0.000) 4.971 4.706 ( 0.000 13.500 0.000) 13.500 4.976 ( 0.000 8.972 0.000) 8.972 9.190 ( 0.000 -2.001 0.000) 2.001 9.234 ( 0.000 -1.828 0.000) 1.828 9.243 ( 0.000 3.920 0.000) 3.920 9.419 ( 0.000 -0.563 0.000) 0.563 10.254 ( 0.000 13.077 0.000) 13.077 10.288 ( 0.000 10.998 0.000) 10.998 10.495 ( 0.000 11.256 0.000) 11.256 10.977 ( 0.000 -2.155 0.000) 2.155 25.374 ( 0.000 21.177 0.000) 21.177 25.476 ( 0.000 22.407 0.000) 22.407 25.493 ( 0.000 21.583 0.000) 21.583 25.518 ( 0.000 16.365 0.000) 16.365 26.840 ( 0.000 -2.203 0.000) 2.203 26.849 ( 0.000 -2.247 0.000) 2.247 27.412 ( 0.000 -1.247 0.000) 1.247 27.421 ( 0.000 -1.075 0.000) 1.075 27.688 ( 0.000 4.965 0.000) 4.965 27.713 ( 0.000 4.398 0.000) 4.398 28.253 ( 0.000 6.869 0.000) 6.869 28.462 ( 0.000 2.338 0.000) 2.338 48.911 ( 0.000 -12.850 0.000) 12.850 48.932 ( 0.000 -11.438 0.000) 11.438 48.963 ( 0.000 -13.966 0.000) 13.966 49.028 ( 0.000 -13.915 0.000) 13.915 90.347 ( 0.000 11.295 0.000) 11.295 90.562 ( 0.000 8.301 0.000) 8.301 90.709 ( 0.000 15.031 0.000) 15.031 91.764 ( 0.000 -16.260 0.000) 16.260 93.645 ( 0.000 11.946 0.000) 11.946 93.771 ( 0.000 16.581 0.000) 16.581 93.862 ( 0.000 4.801 0.000) 4.801 94.443 ( 0.000 4.277 0.000) 4.277 ======================= Grid point 29 (18/112) ======================= q-point: ( 0.17 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.206 ( 3.914 10.425 0.000) 11.136 1.324 ( 2.021 9.129 0.000) 9.350 1.515 ( 4.720 -1.035 0.000) 4.832 1.653 ( 3.189 1.481 0.000) 3.516 1.690 ( -1.376 3.139 0.000) 3.428 1.857 ( -1.783 9.437 0.000) 9.604 2.016 ( 4.494 4.290 0.000) 6.213 2.023 ( 2.264 1.937 0.000) 2.980 2.249 ( -1.778 8.282 0.000) 8.471 2.268 ( -4.382 3.605 0.000) 5.674 2.327 ( -1.815 3.913 0.000) 4.314 2.676 ( 0.688 -3.410 0.000) 3.479 2.700 ( -6.804 -3.497 0.000) 7.650 2.891 ( 2.830 -7.078 0.000) 7.623 3.030 ( -3.814 0.189 0.000) 3.818 3.214 ( -1.802 -0.914 0.000) 2.020 3.251 ( 0.826 -4.517 0.000) 4.592 3.362 ( 0.037 -7.846 0.000) 7.846 3.400 ( -1.244 -4.324 0.000) 4.500 3.418 ( -0.697 -6.945 0.000) 6.980 4.209 ( 1.279 -4.484 0.000) 4.663 4.311 ( 0.645 -0.919 0.000) 1.123 4.339 ( 0.200 -1.353 0.000) 1.368 4.345 ( 2.030 -9.371 0.000) 9.589 4.570 ( 0.282 5.346 0.000) 5.353 4.632 ( 4.004 3.954 0.000) 5.628 4.692 ( -1.254 12.771 0.000) 12.833 4.973 ( -0.450 7.302 0.000) 7.316 9.185 ( -0.230 -1.178 0.000) 1.200 9.236 ( -0.657 3.710 0.000) 3.768 9.259 ( 1.957 -2.199 0.000) 2.944 9.412 ( -0.710 -0.794 0.000) 1.066 10.248 ( 0.416 13.032 0.000) 13.038 10.341 ( 4.084 11.037 0.000) 11.768 10.474 ( -1.925 11.559 0.000) 11.718 10.910 ( -5.953 0.203 0.000) 5.957 25.375 ( 0.198 21.152 0.000) 21.153 25.467 ( -0.815 22.185 0.000) 22.200 25.479 ( -1.153 21.529 0.000) 21.560 25.499 ( -1.559 17.430 0.000) 17.499 26.884 ( 4.065 -2.240 0.000) 4.642 26.909 ( 5.369 -3.284 0.000) 6.294 27.378 ( -3.155 -1.261 0.000) 3.398 27.393 ( -2.603 -1.676 0.000) 3.096 27.701 ( 2.545 5.783 0.000) 6.319 27.801 ( 6.857 3.504 0.000) 7.701 28.213 ( -3.792 6.996 0.000) 7.957 28.431 ( -3.054 2.162 0.000) 3.742 48.911 ( 0.036 -12.811 0.000) 12.811 48.928 ( -0.305 -11.533 0.000) 11.537 48.965 ( 0.266 -13.912 0.000) 13.914 49.023 ( -0.477 -13.917 0.000) 13.925 90.368 ( 2.004 11.452 0.000) 11.626 90.620 ( 5.603 7.627 0.000) 9.464 90.682 ( -2.556 14.706 0.000) 14.927 91.667 ( -9.056 -13.808 0.000) 16.513 93.651 ( 0.546 11.856 0.000) 11.868 93.757 ( -1.268 16.311 0.000) 16.360 93.876 ( 1.357 6.156 0.000) 6.304 94.348 ( -8.068 7.325 0.000) 10.897 ======================= Grid point 30 (19/112) ======================= q-point: ( 0.33 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 152 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.298 ( 4.548 6.555 0.000) 7.978 1.415 ( 6.229 6.903 0.000) 9.298 1.513 ( -4.202 2.409 0.000) 4.843 1.693 ( -1.564 2.345 0.000) 2.819 1.754 ( 6.441 0.979 0.000) 6.515 1.845 ( 1.306 7.619 0.000) 7.730 2.086 ( 3.607 2.050 0.000) 4.149 2.119 ( 4.130 5.187 0.000) 6.630 2.176 ( -2.227 4.406 0.000) 4.937 2.193 ( -3.423 7.713 0.000) 8.438 2.274 ( -2.889 2.555 0.000) 3.857 2.520 ( -9.639 0.317 0.000) 9.644 2.715 ( 3.216 -2.853 0.000) 4.299 2.927 ( -5.646 -0.735 0.000) 5.694 2.970 ( 4.441 -6.987 0.000) 8.279 3.157 ( -3.618 -2.805 0.000) 4.578 3.276 ( 1.537 -4.639 0.000) 4.887 3.363 ( -2.151 -5.120 0.000) 5.554 3.365 ( 0.298 -7.462 0.000) 7.468 3.398 ( -1.094 -6.631 0.000) 6.720 4.246 ( 2.100 -3.004 0.000) 3.665 4.317 ( -0.525 -1.513 0.000) 1.601 4.349 ( 0.942 -1.125 0.000) 1.467 4.375 ( 0.594 -5.986 0.000) 6.015 4.587 ( 1.274 6.258 0.000) 6.387 4.659 ( -1.789 10.583 0.000) 10.734 4.744 ( 6.159 2.010 0.000) 6.479 4.946 ( -2.417 4.013 0.000) 4.685 9.186 ( 0.369 0.218 0.000) 0.429 9.218 ( -0.960 2.998 0.000) 3.148 9.305 ( 2.354 -2.288 0.000) 3.283 9.390 ( -1.437 -1.352 0.000) 1.973 10.279 ( 2.462 13.255 0.000) 13.481 10.418 ( -3.280 12.282 0.000) 12.713 10.447 ( 5.886 10.341 0.000) 11.898 10.755 ( -8.223 4.928 0.000) 9.586 25.384 ( 0.694 21.113 0.000) 21.124 25.440 ( -1.680 21.448 0.000) 21.514 25.456 ( -0.778 21.539 0.000) 21.553 25.466 ( -1.347 19.344 0.000) 19.390 27.000 ( 6.609 -2.355 0.000) 7.016 27.047 ( 7.212 -4.388 0.000) 8.442 27.283 ( -5.720 -1.646 0.000) 5.952 27.314 ( -4.837 -2.870 0.000) 5.624 27.795 ( 6.178 6.752 0.000) 9.152 27.977 ( 9.387 2.368 0.000) 9.681 28.101 ( -6.698 7.241 0.000) 9.864 28.333 ( -6.245 1.815 0.000) 6.503 48.912 ( 0.060 -12.613 0.000) 12.613 48.921 ( -0.364 -11.816 0.000) 11.822 48.975 ( 0.633 -13.850 0.000) 13.865 49.009 ( -0.807 -13.906 0.000) 13.929 90.429 ( 3.639 11.956 0.000) 12.498 90.609 ( -4.181 13.857 0.000) 14.474 90.796 ( 11.122 5.247 0.000) 12.297 91.406 ( -15.079 -7.114 0.000) 16.673 93.667 ( 0.964 12.134 0.000) 12.172 93.724 ( -1.698 15.268 0.000) 15.362 93.921 ( 3.098 9.153 0.000) 9.663 94.161 ( -8.587 11.259 0.000) 14.160 ======================= Grid point 31 (20/112) ======================= q-point: (-0.50 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.399 ( -5.169 3.842 0.000) 6.440 1.399 ( 5.169 3.842 0.000) 6.440 1.578 ( -7.723 5.942 0.000) 9.744 1.578 ( 7.723 5.942 0.000) 9.744 1.860 ( -2.180 1.773 0.000) 2.810 1.860 ( 2.180 1.773 0.000) 2.810 2.125 ( -1.407 4.699 0.000) 4.905 2.125 ( 1.407 4.699 0.000) 4.905 2.170 ( -3.465 3.295 0.000) 4.782 2.170 ( 3.465 3.295 0.000) 4.782 2.323 ( -8.415 4.633 0.000) 9.606 2.323 ( 8.415 4.633 0.000) 9.606 2.808 ( -5.400 -2.068 0.000) 5.783 2.808 ( 5.400 -2.068 0.000) 5.783 3.068 ( -4.675 -5.353 0.000) 7.107 3.068 ( 4.675 -5.353 0.000) 7.107 3.315 ( -2.186 -4.822 0.000) 5.294 3.315 ( 2.186 -4.822 0.000) 5.294 3.377 ( -0.843 -7.069 0.000) 7.119 3.377 ( 0.843 -7.069 0.000) 7.119 4.290 ( -1.875 -1.862 0.000) 2.642 4.290 ( 1.875 -1.862 0.000) 2.642 4.371 ( -0.863 -2.780 0.000) 2.911 4.371 ( 0.863 -2.780 0.000) 2.911 4.620 ( -1.821 7.991 0.000) 8.196 4.620 ( 1.821 7.991 0.000) 8.196 4.867 ( -5.073 1.785 0.000) 5.378 4.867 ( 5.073 1.785 0.000) 5.378 9.199 ( -0.824 1.746 0.000) 1.930 9.199 ( 0.824 1.746 0.000) 1.930 9.353 ( -2.060 -1.945 0.000) 2.833 9.353 ( 2.060 -1.945 0.000) 2.833 10.344 ( -3.543 12.990 0.000) 13.465 10.344 ( 3.543 12.990 0.000) 13.465 10.587 ( -7.479 8.580 0.000) 11.382 10.587 ( 7.479 8.580 0.000) 11.382 25.406 ( -1.408 21.165 0.000) 21.212 25.406 ( 1.408 21.165 0.000) 21.212 25.449 ( -0.200 20.771 0.000) 20.772 25.449 ( 0.200 20.771 0.000) 20.772 27.147 ( -7.073 -2.144 0.000) 7.391 27.147 ( 7.073 -2.144 0.000) 7.391 27.194 ( -6.514 -4.068 0.000) 7.680 27.194 ( 6.514 -4.068 0.000) 7.680 27.945 ( -7.716 7.269 0.000) 10.600 27.945 ( 7.716 7.269 0.000) 10.600 28.173 ( -8.845 1.748 0.000) 9.016 28.173 ( 8.845 1.748 0.000) 9.016 48.914 ( -0.205 -12.228 0.000) 12.230 48.914 ( 0.205 -12.228 0.000) 12.230 48.991 ( -0.868 -13.868 0.000) 13.895 48.991 ( 0.868 -13.868 0.000) 13.895 90.516 ( -4.493 12.818 0.000) 13.583 90.516 ( 4.493 12.818 0.000) 13.583 91.077 ( -15.253 0.303 0.000) 15.256 91.077 ( 15.253 0.303 0.000) 15.256 93.692 ( -1.361 13.490 0.000) 13.559 93.692 ( 1.361 13.490 0.000) 13.559 94.011 ( -5.646 11.536 0.000) 12.844 94.011 ( 5.646 11.536 0.000) 12.844 ======================= Grid point 35 (21/112) ======================= q-point: ( 0.00 0.42 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.378 ( 0.000 8.901 0.000) 8.901 1.433 ( 0.000 1.857 0.000) 1.857 1.499 ( 0.000 5.669 0.000) 5.669 1.597 ( 0.000 -2.957 0.000) 2.957 1.748 ( 0.000 1.650 0.000) 1.650 1.967 ( 0.000 -4.556 0.000) 4.556 2.058 ( 0.000 7.974 0.000) 7.974 2.087 ( 0.000 8.103 0.000) 8.103 2.351 ( 0.000 1.904 0.000) 1.904 2.403 ( 0.000 -0.717 0.000) 0.717 2.408 ( 0.000 6.124 0.000) 6.124 2.596 ( 0.000 -3.560 0.000) 3.560 2.661 ( 0.000 -6.495 0.000) 6.495 2.696 ( 0.000 -9.066 0.000) 9.066 3.097 ( 0.000 2.466 0.000) 2.466 3.195 ( 0.000 -0.348 0.000) 0.348 3.225 ( 0.000 -0.787 0.000) 0.787 3.261 ( 0.000 -2.434 0.000) 2.434 3.295 ( 0.000 -5.315 0.000) 5.315 3.310 ( 0.000 -5.457 0.000) 5.457 4.112 ( 0.000 -2.982 0.000) 2.982 4.151 ( 0.000 -5.783 0.000) 5.783 4.293 ( 0.000 -0.189 0.000) 0.189 4.311 ( 0.000 -1.025 0.000) 1.025 4.641 ( 0.000 2.065 0.000) 2.065 4.653 ( 0.000 1.820 0.000) 1.820 4.930 ( 0.000 8.873 0.000) 8.873 5.087 ( 0.000 2.002 0.000) 2.002 9.176 ( 0.000 0.371 0.000) 0.371 9.210 ( 0.000 -0.825 0.000) 0.825 9.331 ( 0.000 4.298 0.000) 4.298 9.418 ( 0.000 -0.086 0.000) 0.086 10.452 ( 0.000 6.568 0.000) 6.568 10.459 ( 0.000 5.902 0.000) 5.902 10.691 ( 0.000 8.264 0.000) 8.264 10.920 ( 0.000 -3.611 0.000) 3.611 25.723 ( 0.000 12.902 0.000) 12.902 25.785 ( 0.000 9.427 0.000) 9.427 25.841 ( 0.000 13.205 0.000) 13.205 25.847 ( 0.000 12.833 0.000) 12.833 26.801 ( 0.000 -1.550 0.000) 1.550 26.807 ( 0.000 -1.780 0.000) 1.780 27.389 ( 0.000 -0.918 0.000) 0.918 27.396 ( 0.000 -1.205 0.000) 1.205 27.769 ( 0.000 3.042 0.000) 3.042 27.783 ( 0.000 2.395 0.000) 2.395 28.380 ( 0.000 5.437 0.000) 5.437 28.489 ( 0.000 0.131 0.000) 0.131 48.704 ( 0.000 -7.231 0.000) 7.231 48.731 ( 0.000 -8.554 0.000) 8.554 48.749 ( 0.000 -6.266 0.000) 6.266 48.796 ( 0.000 -8.664 0.000) 8.664 90.524 ( 0.000 6.548 0.000) 6.548 90.647 ( 0.000 0.851 0.000) 0.851 90.973 ( 0.000 11.838 0.000) 11.838 91.463 ( 0.000 -13.814 0.000) 13.814 93.864 ( 0.000 9.023 0.000) 9.023 93.960 ( 0.000 3.892 0.000) 3.892 94.095 ( 0.000 14.874 0.000) 14.874 94.462 ( 0.000 -2.467 0.000) 2.467 ======================= Grid point 36 (22/112) ======================= q-point: ( 0.17 0.42 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.394 ( 1.330 8.087 0.000) 8.196 1.443 ( 1.583 3.302 0.000) 3.662 1.532 ( 1.685 1.413 0.000) 2.199 1.622 ( 2.040 -3.487 0.000) 4.040 1.755 ( 1.444 4.241 0.000) 4.480 1.995 ( 2.531 -4.324 0.000) 5.010 2.058 ( -0.026 9.534 0.000) 9.534 2.139 ( 4.290 6.915 0.000) 8.137 2.320 ( -2.798 2.827 0.000) 3.978 2.363 ( -3.306 -0.291 0.000) 3.318 2.389 ( -1.854 6.052 0.000) 6.329 2.599 ( 0.538 -4.327 0.000) 4.360 2.618 ( -3.909 -4.969 0.000) 6.322 2.715 ( 2.026 -10.045 0.000) 10.247 3.048 ( -4.550 1.744 0.000) 4.873 3.182 ( -4.217 -3.553 0.000) 5.514 3.202 ( 0.665 -0.400 0.000) 0.776 3.242 ( -0.794 -2.109 0.000) 2.254 3.294 ( -0.133 -4.974 0.000) 4.976 3.311 ( -0.345 -4.080 0.000) 4.095 4.138 ( 2.372 -2.352 0.000) 3.340 4.192 ( 3.344 -5.507 0.000) 6.443 4.299 ( 0.434 -0.253 0.000) 0.502 4.315 ( 0.226 -1.000 0.000) 1.025 4.651 ( 1.173 2.690 0.000) 2.935 4.684 ( 2.829 1.152 0.000) 3.055 4.903 ( -2.399 8.373 0.000) 8.710 5.061 ( -2.426 1.288 0.000) 2.747 9.185 ( 0.861 0.906 0.000) 1.250 9.229 ( 1.669 -1.018 0.000) 1.955 9.320 ( -0.987 4.170 0.000) 4.285 9.407 ( -1.074 -0.221 0.000) 1.096 10.454 ( 1.111 7.408 0.000) 7.490 10.504 ( 3.285 5.038 0.000) 6.015 10.675 ( -1.533 8.355 0.000) 8.494 10.887 ( -3.037 -2.493 0.000) 3.929 25.724 ( 0.210 12.926 0.000) 12.927 25.781 ( -0.302 9.903 0.000) 9.908 25.828 ( -1.238 13.050 0.000) 13.108 25.833 ( -1.156 12.823 0.000) 12.875 26.844 ( 3.957 -1.616 0.000) 4.274 26.854 ( 4.321 -2.191 0.000) 4.844 27.353 ( -3.376 -1.059 0.000) 3.538 27.361 ( -3.305 -1.430 0.000) 3.601 27.801 ( 3.601 3.990 0.000) 5.375 27.853 ( 5.798 1.481 0.000) 5.984 28.341 ( -3.603 5.537 0.000) 6.606 28.454 ( -3.278 0.027 0.000) 3.278 48.705 ( 0.145 -7.172 0.000) 7.173 48.734 ( 0.304 -8.555 0.000) 8.560 48.744 ( -0.441 -6.311 0.000) 6.327 48.791 ( -0.485 -8.673 0.000) 8.686 90.548 ( 2.344 6.772 0.000) 7.167 90.690 ( 4.142 0.125 0.000) 4.144 90.937 ( -3.265 11.387 0.000) 11.845 91.399 ( -5.889 -12.689 0.000) 13.988 93.875 ( 1.050 9.550 0.000) 9.608 93.990 ( 2.672 4.046 0.000) 4.849 94.076 ( -1.737 14.602 0.000) 14.705 94.412 ( -4.448 -0.885 0.000) 4.535 ======================= Grid point 37 (23/112) ======================= q-point: ( 0.33 0.42 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.427 ( 1.830 6.309 0.000) 6.569 1.502 ( 2.765 2.272 0.000) 3.579 1.533 ( -0.280 -0.047 0.000) 0.284 1.655 ( 0.254 -4.325 0.000) 4.332 1.831 ( 5.426 6.128 0.000) 8.185 2.034 ( -2.652 9.318 0.000) 9.688 2.066 ( 4.144 -3.506 0.000) 5.429 2.224 ( -0.238 3.638 0.000) 3.646 2.270 ( 0.869 5.074 0.000) 5.148 2.299 ( -1.003 1.385 0.000) 1.710 2.332 ( -3.354 6.252 0.000) 7.094 2.514 ( -5.550 -1.553 0.000) 5.763 2.640 ( 3.886 -4.324 0.000) 5.814 2.788 ( 4.975 -10.695 0.000) 11.795 2.919 ( -7.323 0.177 0.000) 7.325 3.064 ( -6.646 -6.797 0.000) 9.506 3.219 ( 0.823 -0.835 0.000) 1.173 3.235 ( -0.022 -2.051 0.000) 2.051 3.287 ( -0.488 -4.134 0.000) 4.162 3.294 ( -1.006 -3.200 0.000) 3.354 4.201 ( 3.316 -1.200 0.000) 3.527 4.264 ( 3.023 -4.393 0.000) 5.333 4.299 ( -0.761 -0.373 0.000) 0.847 4.318 ( 0.074 -1.345 0.000) 1.347 4.691 ( 2.597 3.824 0.000) 4.622 4.768 ( 4.956 -0.029 0.000) 4.956 4.837 ( -3.712 7.031 0.000) 7.951 4.988 ( -4.461 -0.102 0.000) 4.462 9.212 ( 1.682 1.948 0.000) 2.574 9.274 ( 2.465 -1.128 0.000) 2.711 9.291 ( -1.721 3.746 0.000) 4.123 9.374 ( -1.970 -0.558 0.000) 2.047 10.497 ( 2.789 8.228 0.000) 8.688 10.589 ( 4.680 3.872 0.000) 6.075 10.629 ( -2.782 8.538 0.000) 8.979 10.802 ( -4.821 -0.026 0.000) 4.821 25.733 ( 0.719 12.958 0.000) 12.978 25.776 ( -0.010 10.890 0.000) 10.890 25.793 ( -1.897 12.938 0.000) 13.077 25.806 ( -1.293 12.491 0.000) 12.558 26.958 ( 6.609 -1.668 0.000) 6.816 26.975 ( 6.836 -2.781 0.000) 7.380 27.252 ( -6.108 -1.335 0.000) 6.252 27.263 ( -5.823 -2.057 0.000) 6.176 27.915 ( 6.983 5.027 0.000) 8.604 28.008 ( 8.558 0.501 0.000) 8.573 28.233 ( -6.569 5.700 0.000) 8.697 28.352 ( -6.406 -0.142 0.000) 6.408 48.710 ( 0.331 -6.982 0.000) 6.990 48.732 ( -0.637 -6.458 0.000) 6.490 48.744 ( 0.621 -8.586 0.000) 8.608 48.777 ( -0.792 -8.677 0.000) 8.713 90.620 ( 4.398 7.497 0.000) 8.692 90.818 ( 7.934 -2.057 0.000) 8.196 90.845 ( -5.319 10.199 0.000) 11.502 91.230 ( -9.777 -9.569 0.000) 13.680 93.910 ( 2.237 10.923 0.000) 11.150 94.027 ( -2.816 13.812 0.000) 14.097 94.066 ( 4.428 4.228 0.000) 6.122 94.297 ( -6.096 2.023 0.000) 6.423 ======================= Grid point 38 (24/112) ======================= q-point: (-0.50 0.42 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.472 ( -2.445 3.636 0.000) 4.382 1.472 ( 2.445 3.636 0.000) 4.382 1.611 ( -4.167 -1.952 0.000) 4.602 1.611 ( 4.167 -1.952 0.000) 4.602 1.950 ( -5.202 6.650 0.000) 8.443 1.950 ( 5.202 6.650 0.000) 8.443 2.158 ( -4.244 -1.576 0.000) 4.528 2.158 ( 4.244 -1.576 0.000) 4.528 2.270 ( -1.700 6.373 0.000) 6.596 2.270 ( 1.700 6.373 0.000) 6.596 2.395 ( -5.814 2.212 0.000) 6.221 2.395 ( 5.814 2.212 0.000) 6.221 2.761 ( -7.200 -2.103 0.000) 7.501 2.761 ( 7.200 -2.103 0.000) 7.501 2.917 ( -6.993 -9.276 0.000) 11.616 2.917 ( 6.993 -9.276 0.000) 11.616 3.233 ( -0.379 -1.792 0.000) 1.832 3.233 ( 0.379 -1.792 0.000) 1.832 3.280 ( -0.095 -3.179 0.000) 3.180 3.280 ( 0.095 -3.179 0.000) 3.180 4.264 ( -2.487 -0.513 0.000) 2.539 4.264 ( 2.487 -0.513 0.000) 2.539 4.309 ( -1.189 -2.671 0.000) 2.924 4.309 ( 1.189 -2.671 0.000) 2.924 4.758 ( -3.649 5.346 0.000) 6.473 4.758 ( 3.649 5.346 0.000) 6.473 4.881 ( -5.539 -0.740 0.000) 5.588 4.881 ( 5.539 -0.740 0.000) 5.588 9.251 ( -1.995 2.981 0.000) 3.587 9.251 ( 1.995 2.981 0.000) 3.587 9.327 ( -2.498 -0.930 0.000) 2.665 9.327 ( 2.498 -0.930 0.000) 2.665 10.563 ( -3.336 8.580 0.000) 9.205 10.563 ( 3.336 8.580 0.000) 9.205 10.694 ( -5.235 2.287 0.000) 5.713 10.694 ( 5.235 2.287 0.000) 5.713 25.757 ( -1.486 12.954 0.000) 13.039 25.757 ( 1.486 12.954 0.000) 13.039 25.784 ( -0.737 11.807 0.000) 11.830 25.784 ( 0.737 11.807 0.000) 11.830 27.108 ( -7.349 -1.579 0.000) 7.516 27.108 ( 7.349 -1.579 0.000) 7.516 27.125 ( -7.158 -2.696 0.000) 7.649 27.125 ( 7.158 -2.696 0.000) 7.649 28.077 ( -7.981 5.614 0.000) 9.758 28.077 ( 7.981 5.614 0.000) 9.758 28.192 ( -8.570 -0.061 0.000) 8.570 28.192 ( 8.570 -0.061 0.000) 8.570 48.719 ( -0.548 -6.706 0.000) 6.729 48.719 ( 0.548 -6.706 0.000) 6.729 48.760 ( -0.827 -8.643 0.000) 8.683 48.760 ( 0.827 -8.643 0.000) 8.683 90.727 ( -5.611 8.729 0.000) 10.377 90.727 ( 5.611 8.729 0.000) 10.377 91.013 ( -10.312 -5.545 0.000) 11.708 91.013 ( 10.312 -5.545 0.000) 11.708 93.965 ( -2.943 12.523 0.000) 12.864 93.965 ( 2.943 12.523 0.000) 12.864 94.172 ( -5.614 3.813 0.000) 6.787 94.172 ( 5.614 3.813 0.000) 6.787 ======================= Grid point 42 (25/112) ======================= q-point: ( 0.00 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 64 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.501 ( 0.000 -3.780 0.000) 3.780 1.501 ( 0.000 3.780 0.000) 3.780 1.517 ( 0.000 -5.177 0.000) 5.177 1.517 ( 0.000 5.177 0.000) 5.177 1.842 ( 0.000 -6.907 0.000) 6.907 1.842 ( 0.000 6.907 0.000) 6.907 2.175 ( 0.000 -1.696 0.000) 1.696 2.175 ( 0.000 1.696 0.000) 1.696 2.383 ( 0.000 -0.534 0.000) 0.534 2.383 ( 0.000 0.534 0.000) 0.534 2.530 ( 0.000 -6.305 0.000) 6.305 2.530 ( 0.000 6.305 0.000) 6.305 2.559 ( 0.000 -2.096 0.000) 2.096 2.559 ( 0.000 2.096 0.000) 2.096 3.170 ( 0.000 -4.387 0.000) 4.387 3.170 ( 0.000 4.387 0.000) 4.387 3.218 ( 0.000 -2.466 0.000) 2.466 3.218 ( 0.000 2.466 0.000) 2.466 3.246 ( 0.000 -0.622 0.000) 0.622 3.246 ( 0.000 0.622 0.000) 0.622 4.087 ( 0.000 -0.730 0.000) 0.730 4.087 ( 0.000 0.730 0.000) 0.730 4.296 ( 0.000 -0.466 0.000) 0.466 4.296 ( 0.000 0.466 0.000) 0.466 4.665 ( 0.000 -0.406 0.000) 0.406 4.665 ( 0.000 0.406 0.000) 0.406 5.062 ( 0.000 -4.189 0.000) 4.189 5.062 ( 0.000 4.189 0.000) 4.189 9.192 ( 0.000 -0.977 0.000) 0.977 9.192 ( 0.000 0.977 0.000) 0.977 9.398 ( 0.000 -2.161 0.000) 2.161 9.398 ( 0.000 2.161 0.000) 2.161 10.518 ( 0.000 -0.133 0.000) 0.133 10.518 ( 0.000 0.133 0.000) 0.133 10.829 ( 0.000 -5.569 0.000) 5.569 10.829 ( 0.000 5.569 0.000) 5.569 25.870 ( 0.000 -1.455 0.000) 1.455 25.870 ( 0.000 1.455 0.000) 1.455 25.979 ( 0.000 -0.105 0.000) 0.105 25.979 ( 0.000 0.105 0.000) 0.105 26.785 ( 0.000 -0.160 0.000) 0.160 26.785 ( 0.000 0.160 0.000) 0.160 27.380 ( 0.000 -0.182 0.000) 0.182 27.380 ( 0.000 0.182 0.000) 0.182 27.804 ( 0.000 -0.354 0.000) 0.354 27.804 ( 0.000 0.354 0.000) 0.354 28.463 ( 0.000 -2.753 0.000) 2.753 28.463 ( 0.000 2.753 0.000) 2.753 48.636 ( 0.000 -0.704 0.000) 0.704 48.636 ( 0.000 0.704 0.000) 0.704 48.696 ( 0.000 -1.172 0.000) 1.172 48.696 ( 0.000 1.172 0.000) 1.172 90.620 ( 0.000 -3.171 0.000) 3.171 90.620 ( 0.000 3.171 0.000) 3.171 91.206 ( 0.000 -11.901 0.000) 11.901 91.206 ( 0.000 11.901 0.000) 11.901 93.981 ( 0.000 -2.313 0.000) 2.313 93.981 ( 0.000 2.313 0.000) 2.313 94.343 ( 0.000 -9.378 0.000) 9.378 94.343 ( 0.000 9.378 0.000) 9.378 ======================= Grid point 44 (26/112) ======================= q-point: ( 0.17 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.508 ( 0.644 -3.156 0.000) 3.221 1.508 ( 0.644 3.156 0.000) 3.221 1.530 ( 1.087 -5.613 0.000) 5.717 1.530 ( 1.087 5.613 0.000) 5.717 1.875 ( 3.038 -6.867 0.000) 7.509 1.875 ( 3.038 6.867 0.000) 7.509 2.198 ( 1.459 -3.176 0.000) 3.495 2.198 ( 1.459 3.176 0.000) 3.495 2.368 ( -1.263 -0.380 0.000) 1.319 2.368 ( -1.263 0.380 0.000) 1.319 2.506 ( -2.185 -5.833 0.000) 6.228 2.506 ( -2.185 5.833 0.000) 6.228 2.552 ( 0.142 -3.069 0.000) 3.073 2.552 ( 0.142 3.069 0.000) 3.073 3.101 ( -5.742 -3.537 0.000) 6.744 3.101 ( -5.742 3.537 0.000) 6.744 3.223 ( 0.403 -2.250 0.000) 2.286 3.223 ( 0.403 2.250 0.000) 2.286 3.250 ( -0.073 -1.895 0.000) 1.896 3.250 ( -0.073 1.895 0.000) 1.896 4.125 ( 3.289 -1.257 0.000) 3.521 4.125 ( 3.289 1.257 0.000) 3.521 4.301 ( 0.302 -0.397 0.000) 0.499 4.301 ( 0.302 0.397 0.000) 0.499 4.685 ( 1.970 -0.868 0.000) 2.153 4.685 ( 1.970 0.868 0.000) 2.153 5.030 ( -2.975 -4.155 0.000) 5.111 5.030 ( -2.975 4.155 0.000) 5.111 9.208 ( 1.434 -1.172 0.000) 1.852 9.208 ( 1.434 1.172 0.000) 1.852 9.386 ( -1.158 -2.127 0.000) 2.421 9.386 ( -1.158 2.127 0.000) 2.421 10.542 ( 2.172 -1.255 0.000) 2.509 10.542 ( 2.172 1.255 0.000) 2.509 10.810 ( -1.756 -5.191 0.000) 5.480 10.810 ( -1.756 5.191 0.000) 5.480 25.871 ( 0.172 -1.355 0.000) 1.366 25.871 ( 0.172 1.355 0.000) 1.366 25.965 ( -1.273 -0.119 0.000) 1.279 25.965 ( -1.273 0.119 0.000) 1.279 26.828 ( 3.950 -0.202 0.000) 3.955 26.828 ( 3.950 0.202 0.000) 3.955 27.343 ( -3.514 -0.176 0.000) 3.518 27.343 ( -3.514 0.176 0.000) 3.518 27.855 ( 4.717 -1.328 0.000) 4.901 27.855 ( 4.717 1.328 0.000) 4.901 28.427 ( -3.441 -2.848 0.000) 4.467 28.427 ( -3.441 2.848 0.000) 4.467 48.639 ( 0.253 -0.750 0.000) 0.792 48.639 ( 0.253 0.750 0.000) 0.792 48.690 ( -0.489 -1.168 0.000) 1.266 48.690 ( -0.489 1.168 0.000) 1.266 90.651 ( 2.992 -3.635 0.000) 4.708 90.651 ( 2.992 3.635 0.000) 4.708 91.160 ( -4.279 -11.243 0.000) 12.030 91.160 ( -4.279 11.243 0.000) 12.030 94.005 ( 2.163 -2.938 0.000) 3.648 94.005 ( 2.163 2.938 0.000) 3.648 94.315 ( -2.553 -8.673 0.000) 9.041 94.315 ( -2.553 8.673 0.000) 9.041 ======================= Grid point 46 (27/112) ======================= q-point: ( 0.33 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 88 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.527 ( 1.039 -0.570 0.000) 1.185 1.527 ( 1.039 0.570 0.000) 1.185 1.550 ( 0.520 -5.860 0.000) 5.883 1.550 ( 0.520 5.860 0.000) 5.883 1.963 ( 5.189 -6.347 0.000) 8.198 1.963 ( 5.189 6.347 0.000) 8.198 2.185 ( -3.357 -5.497 0.000) 6.441 2.185 ( -3.357 5.497 0.000) 6.441 2.353 ( 0.401 -0.990 0.000) 1.068 2.353 ( 0.401 0.990 0.000) 1.068 2.447 ( -3.224 -4.955 0.000) 5.912 2.447 ( -3.224 4.955 0.000) 5.912 2.608 ( 5.638 -4.311 0.000) 7.097 2.608 ( 5.638 4.311 0.000) 7.097 2.951 ( -8.291 -3.506 0.000) 9.001 2.951 ( -8.291 3.506 0.000) 9.001 3.230 ( 0.262 -1.711 0.000) 1.731 3.230 ( 0.262 1.711 0.000) 1.731 3.243 ( -0.466 -1.847 0.000) 1.905 3.243 ( -0.466 1.847 0.000) 1.905 4.204 ( 3.803 -1.569 0.000) 4.114 4.204 ( 3.803 1.569 0.000) 4.114 4.300 ( -0.554 -0.461 0.000) 0.721 4.300 ( -0.554 0.461 0.000) 0.721 4.746 ( 3.810 -1.913 0.000) 4.264 4.746 ( 3.810 1.913 0.000) 4.264 4.946 ( -4.792 -3.884 0.000) 6.169 4.946 ( -4.792 3.884 0.000) 6.169 9.249 ( 2.359 -1.529 0.000) 2.811 9.249 ( 2.359 1.529 0.000) 2.811 9.351 ( -2.085 -2.018 0.000) 2.902 9.351 ( -2.085 2.018 0.000) 2.902 10.604 ( 3.561 -2.341 0.000) 4.262 10.604 ( 3.561 2.341 0.000) 4.262 10.758 ( -3.141 -4.304 0.000) 5.328 10.758 ( -3.141 4.304 0.000) 5.328 25.879 ( 0.607 -1.094 0.000) 1.251 25.879 ( 0.607 1.094 0.000) 1.251 25.931 ( -1.730 -0.366 0.000) 1.768 25.931 ( -1.730 0.366 0.000) 1.768 26.942 ( 6.645 -0.340 0.000) 6.654 26.942 ( 6.645 0.340 0.000) 6.654 27.239 ( -6.215 -0.232 0.000) 6.219 27.239 ( -6.215 0.232 0.000) 6.219 27.990 ( 7.786 -2.344 0.000) 8.131 27.990 ( 7.786 2.344 0.000) 8.131 28.321 ( -6.488 -2.999 0.000) 7.148 28.321 ( -6.488 2.999 0.000) 7.148 48.647 ( 0.525 -0.877 0.000) 1.022 48.647 ( 0.525 0.877 0.000) 1.022 48.677 ( -0.761 -1.130 0.000) 1.363 48.677 ( -0.761 1.130 0.000) 1.363 90.743 ( 5.703 -5.010 0.000) 7.591 90.743 ( 5.703 5.010 0.000) 7.591 91.038 ( -7.010 -9.454 0.000) 11.769 91.038 ( -7.010 9.454 0.000) 11.769 94.068 ( 3.695 -4.168 0.000) 5.570 94.068 ( 3.695 4.168 0.000) 5.570 94.243 ( -4.048 -7.116 0.000) 8.187 94.243 ( -4.048 7.116 0.000) 8.187 ======================= Grid point 48 (28/112) ======================= q-point: (-0.50 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 56 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.547 ( -0.719 -3.760 0.000) 3.829 1.547 ( 0.719 -3.760 0.000) 3.829 1.547 ( -0.719 3.760 0.000) 3.829 1.547 ( 0.719 3.760 0.000) 3.829 2.081 ( -5.781 -5.698 0.000) 8.117 2.081 ( 5.781 -5.698 0.000) 8.117 2.081 ( -5.781 5.698 0.000) 8.117 2.081 ( 5.781 5.698 0.000) 8.117 2.384 ( -2.438 -3.817 0.000) 4.529 2.384 ( 2.438 -3.817 0.000) 4.529 2.384 ( -2.438 3.817 0.000) 4.529 2.384 ( 2.438 3.817 0.000) 4.529 2.768 ( -8.791 -4.007 0.000) 9.662 2.768 ( -8.791 4.007 0.000) 9.662 2.768 ( 8.791 -4.007 0.000) 9.662 2.768 ( 8.791 4.007 0.000) 9.662 3.235 ( -0.244 -1.408 0.000) 1.429 3.235 ( 0.244 -1.408 0.000) 1.429 3.235 ( -0.244 1.408 0.000) 1.429 3.235 ( 0.244 1.408 0.000) 1.429 4.271 ( -2.336 -1.122 0.000) 2.592 4.271 ( -2.336 1.122 0.000) 2.592 4.271 ( 2.336 -1.122 0.000) 2.592 4.271 ( 2.336 1.122 0.000) 2.592 4.840 ( -4.982 -3.103 0.000) 5.869 4.840 ( 4.982 -3.103 0.000) 5.869 4.840 ( -4.982 3.103 0.000) 5.869 4.840 ( 4.982 3.103 0.000) 5.869 9.302 ( -2.553 -1.824 0.000) 3.138 9.302 ( 2.553 -1.824 0.000) 3.138 9.302 ( -2.553 1.824 0.000) 3.138 9.302 ( 2.553 1.824 0.000) 3.138 10.683 ( -3.840 -3.315 0.000) 5.073 10.683 ( 3.840 -3.315 0.000) 5.073 10.683 ( -3.840 3.315 0.000) 5.073 10.683 ( 3.840 3.315 0.000) 5.073 25.898 ( -1.303 -0.737 0.000) 1.497 25.898 ( 1.303 -0.737 0.000) 1.497 25.898 ( -1.303 0.737 0.000) 1.497 25.898 ( 1.303 0.737 0.000) 1.497 27.093 ( -7.406 -0.344 0.000) 7.414 27.093 ( -7.406 0.344 0.000) 7.414 27.093 ( 7.406 -0.344 0.000) 7.414 27.093 ( 7.406 0.344 0.000) 7.414 28.163 ( -8.279 -2.908 0.000) 8.775 28.163 ( -8.279 2.908 0.000) 8.775 28.163 ( 8.279 -2.908 0.000) 8.775 28.163 ( 8.279 2.908 0.000) 8.775 48.660 ( -0.743 -1.027 0.000) 1.268 48.660 ( 0.743 -1.027 0.000) 1.268 48.660 ( -0.743 1.027 0.000) 1.268 48.660 ( 0.743 1.027 0.000) 1.268 90.883 ( -7.372 -7.121 0.000) 10.250 90.883 ( 7.372 -7.121 0.000) 10.250 90.883 ( -7.372 7.121 0.000) 10.250 90.883 ( 7.372 7.121 0.000) 10.250 94.154 ( -4.351 -5.544 0.000) 7.047 94.154 ( 4.351 -5.544 0.000) 7.047 94.154 ( -4.351 5.544 0.000) 7.047 94.154 ( 4.351 5.544 0.000) 7.047 ======================= Grid point 91 (29/112) ======================= q-point: ( 0.00 0.00 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.353 ( 0.000 0.000 17.451) 17.451 0.360 ( 0.000 0.000 17.537) 17.537 0.594 ( 0.000 0.000 27.779) 27.779 1.155 ( 0.000 0.000 3.448) 3.448 1.318 ( 0.000 0.000 -4.827) 4.827 1.319 ( 0.000 0.000 -1.644) 1.644 1.555 ( 0.000 0.000 -2.856) 2.856 1.595 ( 0.000 0.000 2.538) 2.538 1.664 ( 0.000 0.000 -5.562) 5.562 2.202 ( 0.000 0.000 9.439) 9.439 2.345 ( 0.000 0.000 1.883) 1.883 2.713 ( 0.000 0.000 2.824) 2.824 2.755 ( 0.000 0.000 0.818) 0.818 2.846 ( 0.000 0.000 -1.757) 1.757 2.938 ( 0.000 0.000 -0.891) 0.891 3.059 ( 0.000 0.000 -1.843) 1.843 3.105 ( 0.000 0.000 -2.244) 2.244 3.300 ( 0.000 0.000 -11.215) 11.215 3.316 ( 0.000 0.000 -1.153) 1.153 3.343 ( 0.000 0.000 -9.605) 9.605 3.873 ( 0.000 0.000 7.584) 7.584 4.046 ( 0.000 0.000 2.256) 2.256 4.399 ( 0.000 0.000 -2.886) 2.886 4.489 ( 0.000 0.000 -3.100) 3.100 4.523 ( 0.000 0.000 3.829) 3.829 4.969 ( 0.000 0.000 -3.481) 3.481 4.994 ( 0.000 0.000 11.267) 11.267 5.943 ( 0.000 0.000 -5.798) 5.798 8.977 ( 0.000 0.000 0.897) 0.897 9.091 ( 0.000 0.000 -0.719) 0.719 9.126 ( 0.000 0.000 -0.007) 0.007 9.145 ( 0.000 0.000 -0.183) 0.183 9.496 ( 0.000 0.000 1.819) 1.819 9.717 ( 0.000 0.000 -1.725) 1.725 9.907 ( 0.000 0.000 1.260) 1.260 10.027 ( 0.000 0.000 -0.489) 0.489 23.898 ( 0.000 0.000 0.200) 0.200 23.929 ( 0.000 0.000 -0.478) 0.478 23.970 ( 0.000 0.000 1.070) 1.070 24.075 ( 0.000 0.000 -0.730) 0.730 26.996 ( 0.000 0.000 0.146) 0.146 27.007 ( 0.000 0.000 -0.011) 0.011 27.219 ( 0.000 0.000 0.545) 0.545 27.307 ( 0.000 0.000 -0.935) 0.935 27.442 ( 0.000 0.000 0.752) 0.752 27.508 ( 0.000 0.000 -0.390) 0.390 27.930 ( 0.000 0.000 3.082) 3.082 28.381 ( 0.000 0.000 -3.872) 3.872 49.682 ( 0.000 0.000 0.756) 0.756 49.822 ( 0.000 0.000 -1.984) 1.984 49.919 ( 0.000 0.000 0.409) 0.409 49.922 ( 0.000 0.000 0.970) 0.970 89.316 ( 0.000 0.000 0.103) 0.103 89.328 ( 0.000 0.000 0.046) 0.046 89.330 ( 0.000 0.000 -0.106) 0.106 89.334 ( 0.000 0.000 -0.045) 0.045 93.146 ( 0.000 0.000 0.645) 0.645 93.188 ( 0.000 0.000 -0.025) 0.025 94.038 ( 0.000 0.000 1.709) 1.709 94.254 ( 0.000 0.000 -1.643) 1.643 ======================= Grid point 92 (30/112) ======================= q-point: ( 0.17 0.00 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.451 ( 11.499 0.000 9.560) 14.954 0.461 ( 8.800 0.000 12.965) 15.669 0.895 ( 19.639 0.000 14.075) 24.162 1.119 ( -3.317 0.000 3.574) 4.876 1.308 ( 2.023 0.000 1.043) 2.277 1.338 ( 1.748 0.000 -4.560) 4.883 1.541 ( -1.326 0.000 -2.943) 3.228 1.556 ( -3.012 0.000 1.091) 3.204 1.766 ( 7.039 0.000 -4.102) 8.147 2.062 ( -8.021 0.000 4.798) 9.347 2.494 ( 5.067 0.000 -1.937) 5.424 2.718 ( 0.447 0.000 2.706) 2.743 2.753 ( -0.159 0.000 1.059) 1.071 2.804 ( -3.982 0.000 -4.076) 5.698 2.955 ( 1.458 0.000 -1.078) 1.813 3.034 ( -2.429 0.000 -2.237) 3.302 3.098 ( -0.679 0.000 -2.197) 2.299 3.168 ( -10.862 0.000 -3.378) 11.375 3.347 ( 2.878 0.000 -3.065) 4.205 3.377 ( 1.423 0.000 -5.578) 5.757 3.884 ( 2.045 0.000 5.490) 5.859 4.100 ( 4.515 0.000 2.661) 5.241 4.292 ( -5.278 0.000 2.423) 5.807 4.466 ( -2.132 0.000 2.837) 3.549 4.549 ( 1.403 0.000 1.361) 1.954 4.934 ( -4.958 0.000 9.997) 11.159 5.114 ( 11.034 0.000 -6.061) 12.589 5.944 ( -2.249 0.000 -12.247) 12.452 8.984 ( 0.657 0.000 0.856) 1.079 9.083 ( -0.756 0.000 -0.361) 0.837 9.126 ( 0.090 0.000 -0.248) 0.264 9.146 ( 0.039 0.000 -0.253) 0.256 9.502 ( 0.589 0.000 1.727) 1.825 9.674 ( -4.892 0.000 2.904) 5.690 9.782 ( -1.067 0.000 5.020) 5.133 10.034 ( -1.764 0.000 -1.182) 2.123 23.899 ( 0.189 0.000 0.243) 0.308 23.936 ( 0.512 0.000 -0.563) 0.761 23.967 ( -0.132 0.000 1.083) 1.091 24.067 ( -0.684 0.000 -0.705) 0.983 27.073 ( 7.181 0.000 0.690) 7.214 27.233 ( 1.259 0.000 0.529) 1.365 27.320 ( 1.190 0.000 -1.008) 1.560 27.427 ( -1.360 0.000 0.856) 1.607 27.496 ( -1.092 0.000 -0.401) 1.164 27.602 ( 28.391 0.000 -27.312) 39.395 27.880 ( -4.658 0.000 3.066) 5.576 28.341 ( -3.210 0.000 -2.789) 4.252 49.682 ( 0.198 0.000 0.593) 0.625 49.790 ( -2.485 0.000 0.043) 2.485 49.868 ( -1.218 0.000 2.839) 3.089 49.919 ( -0.606 0.000 0.691) 0.919 89.314 ( -0.179 0.000 0.125) 0.218 89.328 ( -0.021 0.000 -0.036) 0.042 89.331 ( -0.250 0.000 -0.012) 0.251 89.332 ( 0.112 0.000 -0.077) 0.136 93.162 ( 1.820 0.000 0.876) 2.020 93.244 ( 4.517 0.000 0.067) 4.517 93.779 ( -21.832 0.000 20.336) 29.836 93.978 ( -5.555 0.000 1.310) 5.707 ======================= Grid point 93 (31/112) ======================= q-point: ( 0.33 0.00 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.667 ( 10.087 0.000 8.238) 13.023 0.742 ( 14.235 0.000 1.853) 14.355 1.020 ( -6.126 0.000 4.259) 7.461 1.127 ( -0.075 0.000 0.002) 0.075 1.385 ( 2.690 0.000 -4.106) 4.908 1.492 ( 4.377 0.000 0.191) 4.381 1.502 ( -2.379 0.000 -3.205) 3.991 1.503 ( 6.693 0.000 1.557) 6.871 1.845 ( 2.820 0.000 0.631) 2.889 2.053 ( 8.626 0.000 -0.256) 8.630 2.485 ( -5.140 0.000 -4.414) 6.775 2.626 ( -15.106 0.000 -8.695) 17.430 2.729 ( 0.598 0.000 2.411) 2.484 2.748 ( -0.276 0.000 1.554) 1.578 2.942 ( -5.444 0.000 3.766) 6.620 2.980 ( -4.066 0.000 1.720) 4.414 2.994 ( 2.159 0.000 -1.456) 2.604 3.076 ( -1.416 0.000 -2.051) 2.492 3.402 ( 2.582 0.000 2.762) 3.781 3.421 ( 2.058 0.000 -2.409) 3.168 3.969 ( 5.556 0.000 4.250) 6.995 4.191 ( -2.728 0.000 4.184) 4.995 4.216 ( 3.996 0.000 1.891) 4.421 4.411 ( -3.178 0.000 3.084) 4.428 4.583 ( 2.321 0.000 2.281) 3.254 4.800 ( -7.187 0.000 6.860) 9.935 5.375 ( 13.029 0.000 -8.741) 15.690 5.836 ( -7.688 0.000 -12.646) 14.800 9.004 ( 1.171 0.000 0.728) 1.378 9.061 ( -1.300 0.000 0.159) 1.310 9.131 ( 0.351 0.000 -0.489) 0.602 9.145 ( -0.191 0.000 -0.392) 0.437 9.521 ( 1.201 0.000 1.583) 1.987 9.595 ( -2.592 0.000 3.117) 4.054 9.814 ( 2.895 0.000 1.628) 3.321 9.971 ( -3.798 0.000 -0.262) 3.807 23.906 ( 0.475 0.000 0.336) 0.582 23.935 ( -0.619 0.000 0.110) 0.629 23.979 ( 1.362 0.000 0.204) 1.377 24.046 ( -1.334 0.000 -0.601) 1.463 27.270 ( 2.198 0.000 0.449) 2.243 27.273 ( 11.214 0.000 1.980) 11.387 27.348 ( 0.743 0.000 -1.206) 1.417 27.395 ( -0.970 0.000 1.124) 1.485 27.464 ( -1.973 0.000 -0.384) 2.010 27.732 ( -8.783 0.000 3.016) 9.287 27.991 ( 11.338 0.000 -16.901) 20.351 28.264 ( -4.031 0.000 -4.215) 5.833 49.693 ( 0.844 0.000 0.088) 0.849 49.747 ( -1.637 0.000 0.071) 1.639 49.864 ( 0.422 0.000 1.689) 1.741 49.901 ( -1.014 0.000 0.876) 1.340 89.311 ( -0.010 0.000 0.132) 0.132 89.322 ( -0.419 0.000 0.023) 0.419 89.330 ( 0.090 0.000 -0.057) 0.106 89.333 ( 0.000 0.000 -0.098) 0.098 93.218 ( 3.285 0.000 2.162) 3.933 93.334 ( 1.908 0.000 3.752) 4.209 93.535 ( -2.297 0.000 7.729) 8.063 93.822 ( -8.778 0.000 0.422) 8.789 ======================= Grid point 94 (32/112) ======================= q-point: (-0.50 0.00 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.865 ( -8.557 0.000 5.661) 10.260 0.865 ( 8.557 0.000 5.661) 10.260 1.003 ( -10.035 0.000 0.569) 10.051 1.003 ( 10.035 0.000 0.569) 10.051 1.445 ( -2.892 0.000 -3.619) 4.632 1.445 ( 2.892 0.000 -3.619) 4.632 1.531 ( -3.903 0.000 -2.981) 4.911 1.531 ( 3.903 0.000 -2.981) 4.911 2.140 ( -15.099 0.000 -1.158) 15.144 2.140 ( 15.099 0.000 -1.158) 15.144 2.340 ( -3.805 0.000 -3.349) 5.069 2.340 ( 3.805 0.000 -3.349) 5.069 2.741 ( -0.464 0.000 2.024) 2.076 2.741 ( 0.464 0.000 2.024) 2.076 2.916 ( -1.786 0.000 2.516) 3.085 2.916 ( 1.786 0.000 2.516) 3.085 3.039 ( -2.036 0.000 -1.803) 2.719 3.039 ( 2.036 0.000 -1.803) 2.719 3.439 ( -0.560 0.000 1.928) 2.008 3.439 ( 0.560 0.000 1.928) 2.008 4.091 ( -5.590 0.000 4.356) 7.087 4.091 ( 5.590 0.000 4.356) 7.087 4.327 ( -4.919 0.000 2.724) 5.623 4.327 ( 4.919 0.000 2.724) 5.623 4.662 ( -5.409 0.000 3.572) 6.482 4.662 ( 5.409 0.000 3.572) 6.482 5.634 ( -11.274 0.000 -10.995) 15.747 5.634 ( 11.274 0.000 -10.995) 15.747 9.032 ( -1.416 0.000 0.504) 1.503 9.032 ( 1.416 0.000 0.504) 1.503 9.139 ( -0.373 0.000 -0.499) 0.623 9.139 ( 0.373 0.000 -0.499) 0.623 9.552 ( -1.705 0.000 1.879) 2.537 9.552 ( 1.705 0.000 1.879) 2.537 9.888 ( -3.962 0.000 0.618) 4.009 9.888 ( 3.962 0.000 0.618) 4.009 23.919 ( -0.753 0.000 0.377) 0.842 23.919 ( 0.753 0.000 0.377) 0.842 24.013 ( -1.702 0.000 -0.354) 1.738 24.013 ( 1.702 0.000 -0.354) 1.738 27.320 ( -2.422 0.000 0.136) 2.426 27.320 ( 2.422 0.000 0.136) 2.426 27.418 ( -2.190 0.000 -0.143) 2.195 27.418 ( 2.190 0.000 -0.143) 2.195 27.516 ( -11.411 0.000 2.875) 11.767 27.516 ( 11.411 0.000 2.875) 11.767 28.163 ( -5.969 0.000 -8.767) 10.606 28.163 ( 5.969 0.000 -8.767) 10.606 49.716 ( -1.325 0.000 -0.183) 1.337 49.716 ( 1.325 0.000 -0.183) 1.337 49.879 ( -0.995 0.000 1.216) 1.571 49.879 ( 0.995 0.000 1.216) 1.571 89.314 ( -0.271 0.000 0.094) 0.287 89.314 ( 0.271 0.000 0.094) 0.287 89.332 ( -0.090 0.000 -0.095) 0.131 89.332 ( 0.090 0.000 -0.095) 0.131 93.292 ( -3.676 0.000 4.876) 6.107 93.292 ( 3.676 0.000 4.876) 6.107 93.634 ( -8.509 0.000 0.330) 8.516 93.634 ( 8.509 0.000 0.330) 8.516 ======================= Grid point 98 (33/112) ======================= q-point: ( 0.00 0.08 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.451 ( 0.000 8.422 13.335) 15.772 0.589 ( 0.000 14.196 14.082) 19.996 0.854 ( 0.000 21.662 12.195) 24.859 1.317 ( 0.000 12.951 2.083) 13.118 1.378 ( 0.000 6.997 -1.623) 7.183 1.416 ( 0.000 8.685 -4.884) 9.964 1.540 ( 0.000 -0.521 -4.433) 4.464 1.633 ( 0.000 6.146 5.195) 8.048 1.712 ( 0.000 3.600 0.246) 3.609 2.163 ( 0.000 -2.632 8.398) 8.800 2.276 ( 0.000 -4.425 -0.052) 4.425 2.801 ( 0.000 5.501 1.300) 5.652 2.824 ( 0.000 -1.347 -2.708) 3.025 2.967 ( 0.000 1.346 -5.044) 5.221 3.114 ( 0.000 12.256 -9.130) 15.283 3.123 ( 0.000 4.202 2.858) 5.082 3.201 ( 0.000 7.679 -2.778) 8.166 3.325 ( 0.000 1.591 -10.580) 10.699 3.352 ( 0.000 4.024 -8.250) 9.179 3.388 ( 0.000 11.210 -8.148) 13.858 3.899 ( 0.000 3.489 7.140) 7.947 4.065 ( 0.000 2.460 1.742) 3.014 4.387 ( 0.000 -1.021 -2.624) 2.815 4.485 ( 0.000 -0.383 -2.671) 2.699 4.502 ( 0.000 -2.013 3.815) 4.314 4.876 ( 0.000 -10.736 9.278) 14.190 4.897 ( 0.000 -8.558 3.391) 9.205 5.055 ( 0.000 -34.628 23.437) 41.813 9.120 ( 0.000 11.616 -0.453) 11.625 9.143 ( 0.000 2.826 -1.462) 3.182 9.233 ( 0.000 8.919 1.902) 9.120 9.459 ( 0.000 -3.208 1.445) 3.518 9.562 ( 0.000 9.932 -3.233) 10.445 9.672 ( 0.000 -4.084 -1.703) 4.425 10.017 ( 0.000 -0.163 0.052) 0.171 10.472 ( 0.000 31.705 -31.126) 44.430 24.066 ( 0.000 13.244 -0.266) 13.247 24.111 ( 0.000 13.610 1.059) 13.651 24.194 ( 0.000 12.824 -1.800) 12.950 24.306 ( 0.000 23.074 -12.558) 26.270 26.974 ( 0.000 -1.666 -0.146) 1.672 26.983 ( 0.000 -2.069 -0.053) 2.070 27.339 ( 0.000 7.714 -3.581) 8.505 27.351 ( 0.000 3.983 -0.825) 4.067 27.444 ( 0.000 0.153 0.679) 0.696 27.498 ( 0.000 -0.993 -0.280) 1.032 27.954 ( 0.000 2.430 3.010) 3.868 28.327 ( 0.000 -1.990 0.341) 2.019 49.616 ( 0.000 -6.395 0.708) 6.434 49.749 ( 0.000 -7.188 -1.801) 7.411 49.756 ( 0.000 -11.280 4.630) 12.193 49.842 ( 0.000 -7.726 0.725) 7.760 89.433 ( 0.000 11.138 0.214) 11.140 89.475 ( 0.000 13.736 -0.793) 13.759 89.526 ( 0.000 18.156 2.059) 18.272 91.044 ( 0.000 83.328 -84.503) 118.678 93.171 ( 0.000 2.613 0.604) 2.682 93.203 ( 0.000 1.333 0.148) 1.341 93.986 ( 0.000 -4.722 1.493) 4.953 94.091 ( 0.000 -9.506 6.467) 11.498 ======================= Grid point 99 (34/112) ======================= q-point: ( 0.17 0.08 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 216 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.556 ( 9.498 9.295 6.276) 14.697 0.712 ( 7.851 15.211 8.648) 19.178 1.003 ( 12.448 11.464 8.770) 19.060 1.280 ( -3.357 12.525 2.506) 13.207 1.370 ( 1.483 6.759 1.060) 7.001 1.442 ( 2.006 9.209 -4.148) 10.297 1.526 ( -1.759 2.014 -2.424) 3.609 1.644 ( 0.004 7.206 1.560) 7.373 1.754 ( 4.131 -1.171 -1.289) 4.483 2.033 ( -5.497 -0.648 4.793) 7.322 2.402 ( 4.501 -5.749 1.562) 7.467 2.738 ( -5.496 -0.689 -4.354) 7.046 2.832 ( 0.659 3.294 0.409) 3.384 2.980 ( 0.088 0.515 -4.024) 4.058 3.054 ( -3.636 14.601 -5.066) 15.878 3.133 ( -0.143 8.069 0.359) 8.079 3.165 ( -3.801 6.244 -2.537) 7.737 3.234 ( -6.860 9.287 -3.535) 12.075 3.359 ( 1.561 2.080 -2.243) 3.434 3.374 ( -0.424 1.332 -6.297) 6.450 3.907 ( 1.702 3.063 5.368) 6.410 4.118 ( 4.369 2.200 2.152) 5.344 4.304 ( -4.432 1.345 1.988) 5.040 4.448 ( -2.036 -1.695 3.180) 4.139 4.526 ( 1.040 -2.221 1.669) 2.966 4.830 ( -3.985 -9.549 8.354) 13.298 5.033 ( 9.501 -7.451 -5.141) 13.123 5.303 ( 14.877 -36.499 4.855) 39.712 9.125 ( 0.454 10.823 -0.685) 10.854 9.147 ( 0.334 3.353 -1.636) 3.746 9.234 ( 0.189 9.598 2.198) 9.848 9.459 ( -0.264 -2.051 0.946) 2.274 9.552 ( -0.897 10.239 -3.410) 10.829 9.684 ( 0.709 -1.783 -2.390) 3.065 9.971 ( -5.977 7.214 0.056) 9.368 10.122 ( -19.500 24.814 -7.559) 32.452 24.072 ( 0.508 13.161 -0.434) 13.178 24.108 ( -0.191 13.605 1.112) 13.651 24.165 ( -3.991 17.952 -3.776) 18.774 24.210 ( -3.101 16.307 -1.322) 16.652 27.041 ( 6.044 -2.584 0.494) 6.592 27.200 ( 8.030 -5.115 -1.749) 9.680 27.341 ( 1.239 3.583 -0.871) 3.890 27.421 ( -1.403 -0.245 0.154) 1.432 27.486 ( -0.874 -0.910 -0.319) 1.302 27.579 ( 18.952 -0.279 -12.921) 22.939 27.904 ( -4.669 2.529 3.072) 6.134 28.304 ( -2.119 -1.486 -0.571) 2.650 49.617 ( 0.169 -6.406 0.536) 6.430 49.709 ( -1.959 -7.782 1.023) 8.090 49.772 ( 0.471 -8.477 1.405) 8.606 49.838 ( -0.484 -7.788 0.639) 7.829 89.435 ( 0.223 11.511 0.283) 11.516 89.484 ( 0.578 14.437 -0.581) 14.460 89.524 ( 0.179 18.315 1.558) 18.382 90.529 ( -35.263 77.827 -41.876) 95.153 93.188 ( 1.894 2.732 0.755) 3.409 93.260 ( 4.840 1.208 -0.150) 4.991 93.739 ( -19.040 -1.473 17.681) 26.025 93.929 ( -5.236 -4.378 1.114) 6.915 ======================= Grid point 100 (35/112) ======================= q-point: ( 0.33 0.08 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 216 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.794 ( 11.915 5.457 1.179) 13.158 0.876 ( 7.959 15.269 5.599) 18.106 1.138 ( -1.719 2.823 0.229) 3.313 1.181 ( -5.884 12.498 3.193) 14.178 1.467 ( 0.242 5.236 -0.877) 5.315 1.514 ( 1.877 6.968 -5.916) 9.331 1.545 ( 10.810 5.103 0.423) 11.961 1.615 ( -2.585 7.249 -1.217) 7.792 1.826 ( 5.222 -1.095 0.326) 5.346 2.049 ( 7.440 0.350 2.712) 7.926 2.404 ( -3.997 -5.189 -0.104) 6.551 2.548 ( -13.907 -3.680 -6.793) 15.909 2.853 ( 1.349 2.960 1.108) 3.436 2.939 ( -3.327 -0.609 -0.521) 3.422 2.983 ( -2.591 16.174 -2.196) 16.527 3.037 ( -4.875 11.961 0.776) 12.939 3.132 ( 0.254 9.832 -0.049) 9.835 3.170 ( -1.339 8.888 -1.705) 9.149 3.382 ( 1.756 -2.166 1.799) 3.318 3.402 ( 1.477 -0.880 -0.927) 1.953 3.985 ( 5.356 2.027 4.222) 7.114 4.207 ( -1.218 1.601 3.899) 4.388 4.232 ( 2.038 2.048 1.643) 3.324 4.399 ( -2.740 -0.963 2.559) 3.870 4.552 ( 1.813 -2.928 2.412) 4.204 4.723 ( -5.696 -7.012 5.784) 10.727 5.249 ( 10.271 -11.340 -7.404) 16.997 5.483 ( 2.231 -26.412 -7.111) 27.443 9.137 ( 0.649 8.585 -1.162) 8.687 9.153 ( 0.146 4.790 -1.974) 5.183 9.250 ( 1.669 12.008 2.476) 12.374 9.417 ( -4.377 9.879 -0.973) 10.849 9.541 ( 0.381 7.387 -1.505) 7.548 9.643 ( -4.954 9.026 -0.728) 10.321 9.815 ( -0.751 4.091 3.680) 5.553 9.946 ( -4.311 -1.601 0.134) 4.601 24.077 ( -0.133 13.658 -0.256) 13.661 24.094 ( -1.912 16.957 -0.836) 17.085 24.114 ( 0.987 13.148 0.591) 13.198 24.175 ( -1.427 12.633 -0.279) 12.716 27.188 ( 6.645 -3.911 0.995) 7.774 27.321 ( 5.040 -1.125 -0.604) 5.199 27.367 ( -1.798 0.091 0.281) 1.822 27.397 ( 2.886 3.271 0.463) 4.387 27.458 ( -1.335 -0.446 -0.007) 1.407 27.764 ( -8.444 3.058 3.137) 9.512 27.930 ( 12.725 -4.688 -12.578) 18.496 28.240 ( -3.982 -1.375 -3.173) 5.274 49.626 ( 0.729 -6.570 0.115) 6.611 49.675 ( -1.450 -7.106 0.184) 7.255 49.783 ( 0.678 -7.768 1.255) 7.898 49.822 ( -0.940 -7.687 0.739) 7.779 89.443 ( 0.612 12.467 0.460) 12.491 89.480 ( -0.848 14.824 0.676) 14.864 89.560 ( 3.476 21.366 -0.632) 21.656 89.949 ( -19.039 50.604 -10.642) 55.104 93.245 ( 3.333 2.721 2.057) 4.770 93.379 ( 4.285 3.903 1.689) 6.037 93.486 ( -4.649 -3.190 8.727) 10.390 93.781 ( -8.462 -3.579 0.311) 9.193 ======================= Grid point 101 (36/112) ======================= q-point: (-0.50 0.08 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.014 ( -7.626 2.955 1.409) 8.299 1.014 ( 7.626 2.955 1.409) 8.299 1.042 ( -6.333 13.365 3.262) 15.145 1.042 ( 6.333 13.365 3.262) 15.145 1.509 ( -3.325 4.829 -2.348) 6.316 1.509 ( 3.325 4.829 -2.348) 6.316 1.592 ( -1.728 6.505 -5.422) 8.643 1.592 ( 1.728 6.505 -5.422) 8.643 2.139 ( -16.216 -0.003 -1.069) 16.251 2.139 ( 16.216 -0.003 -1.069) 16.251 2.271 ( -4.970 -4.114 0.539) 6.474 2.271 ( 4.970 -4.114 0.539) 6.474 2.888 ( -1.821 1.180 0.274) 2.188 2.888 ( 1.821 1.180 0.274) 2.188 2.970 ( -1.448 14.747 0.523) 14.827 2.970 ( 1.448 14.747 0.523) 14.827 3.145 ( -0.987 9.118 -1.423) 9.281 3.145 ( 0.987 9.118 -1.423) 9.281 3.413 ( -0.614 -2.373 2.241) 3.321 3.413 ( 0.614 -2.373 2.241) 3.321 4.107 ( -5.754 1.754 4.479) 7.500 4.107 ( 5.754 1.754 4.479) 7.500 4.327 ( -4.258 0.388 1.884) 4.672 4.327 ( 4.258 0.388 1.884) 4.672 4.614 ( -4.255 -4.401 3.318) 6.963 4.614 ( 4.255 -4.401 3.318) 6.963 5.431 ( -6.334 -17.242 -8.665) 20.310 5.431 ( 6.334 -17.242 -8.665) 20.310 9.150 ( -0.465 6.429 -1.649) 6.653 9.150 ( 0.465 6.429 -1.649) 6.653 9.313 ( -4.391 15.201 1.082) 15.859 9.313 ( 4.391 15.201 1.082) 15.859 9.569 ( -2.196 4.654 0.394) 5.161 9.569 ( 2.196 4.654 0.394) 5.161 9.862 ( -3.627 -1.538 1.099) 4.090 9.862 ( 3.627 -1.538 1.099) 4.090 24.075 ( -0.173 14.773 -0.096) 14.774 24.075 ( 0.173 14.773 -0.096) 14.774 24.143 ( -1.568 12.615 -0.046) 12.712 24.143 ( 1.568 12.615 -0.046) 12.712 27.296 ( -4.042 -2.166 0.639) 4.630 27.296 ( 4.042 -2.166 0.639) 4.630 27.401 ( -2.570 -1.368 -0.969) 3.069 27.401 ( 2.570 -1.368 -0.969) 3.069 27.567 ( -9.711 4.282 2.868) 10.994 27.567 ( 9.711 4.282 2.868) 10.994 28.129 ( -6.937 -2.659 -7.226) 10.364 28.129 ( 6.937 -2.659 -7.226) 10.364 49.647 ( -1.197 -6.821 -0.110) 6.926 49.647 ( 1.197 -6.821 -0.110) 6.926 49.801 ( -1.006 -7.621 1.010) 7.753 49.801 ( 1.006 -7.621 1.010) 7.753 89.460 ( -0.957 13.734 0.681) 13.784 89.460 ( 0.957 13.734 0.681) 13.784 89.678 ( -8.298 31.038 -2.956) 32.263 89.678 ( 8.298 31.038 -2.956) 32.263 93.325 ( -4.350 3.156 4.838) 7.231 93.325 ( 4.350 3.156 4.838) 7.231 93.594 ( -8.883 -3.167 -0.026) 9.431 93.594 ( 8.883 -3.167 -0.026) 9.431 ======================= Grid point 105 (37/112) ======================= q-point: ( 0.00 0.17 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.667 ( 0.000 12.468 8.006) 14.817 0.869 ( 0.000 13.483 10.284) 16.957 1.226 ( 0.000 14.074 0.141) 14.075 1.522 ( 0.000 7.017 1.636) 7.205 1.530 ( 0.000 0.789 -4.107) 4.182 1.631 ( 0.000 9.887 -2.718) 10.254 1.641 ( 0.000 17.563 -3.420) 17.892 1.780 ( 0.000 3.226 5.282) 6.190 1.862 ( 0.000 14.549 5.403) 15.520 2.105 ( 0.000 -2.445 8.095) 8.456 2.224 ( 0.000 -0.494 -2.785) 2.828 2.784 ( 0.000 -2.552 -2.655) 3.683 2.846 ( 0.000 -0.667 -4.985) 5.030 2.963 ( 0.000 -2.309 -5.394) 5.868 3.151 ( 0.000 -0.623 2.724) 2.794 3.227 ( 0.000 0.693 -2.369) 2.468 3.309 ( 0.000 5.956 -3.104) 6.716 3.352 ( 0.000 0.810 -6.392) 6.443 3.503 ( 0.000 6.925 -1.110) 7.014 3.616 ( 0.000 5.601 -5.144) 7.605 4.069 ( 0.000 13.941 3.849) 14.463 4.180 ( 0.000 9.147 -1.480) 9.266 4.370 ( 0.000 -0.149 -1.542) 1.549 4.443 ( 0.000 -3.941 3.319) 5.152 4.459 ( 0.000 -3.056 1.514) 3.411 4.630 ( 0.000 -11.666 5.635) 12.956 4.645 ( 0.000 -4.651 10.192) 11.203 4.769 ( 0.000 -8.815 -1.808) 8.998 9.176 ( 0.000 0.274 -0.575) 0.637 9.273 ( 0.000 2.767 -2.411) 3.670 9.372 ( 0.000 -4.935 1.440) 5.141 9.485 ( 0.000 6.511 1.867) 6.774 9.623 ( 0.000 7.226 0.403) 7.237 9.762 ( 0.000 12.018 -0.178) 12.020 10.075 ( 0.000 7.095 1.757) 7.309 10.833 ( 0.000 8.782 -16.224) 18.449 24.430 ( 0.000 22.112 0.152) 22.112 24.487 ( 0.000 22.889 0.931) 22.908 24.542 ( 0.000 21.300 -0.968) 21.322 24.726 ( 0.000 20.029 -6.770) 21.142 26.936 ( 0.000 -2.304 -0.149) 2.309 26.936 ( 0.000 -2.272 -0.165) 2.278 27.438 ( 0.000 1.520 -0.160) 1.528 27.459 ( 0.000 4.197 0.040) 4.197 27.469 ( 0.000 -0.242 -0.261) 0.356 27.481 ( 0.000 5.135 -2.037) 5.524 28.026 ( 0.000 4.716 2.758) 5.463 28.334 ( 0.000 2.135 -0.514) 2.196 49.436 ( 0.000 -11.227 0.525) 11.239 49.507 ( 0.000 -13.675 2.875) 13.974 49.545 ( 0.000 -12.745 -1.326) 12.814 49.625 ( 0.000 -13.423 0.173) 13.424 89.728 ( 0.000 17.139 0.403) 17.143 89.831 ( 0.000 20.090 -2.436) 20.237 89.991 ( 0.000 25.973 6.389) 26.747 91.932 ( 0.000 14.434 -46.668) 48.849 93.247 ( 0.000 3.965 -0.370) 3.982 93.261 ( 0.000 6.712 0.084) 6.712 93.880 ( 0.000 -4.752 1.385) 4.950 94.051 ( 0.000 5.546 -0.470) 5.566 ======================= Grid point 106 (38/112) ======================= q-point: ( 0.17 0.17 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 216 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.770 ( 7.638 11.275 3.024) 13.951 0.959 ( 7.843 11.007 9.199) 16.349 1.262 ( 2.750 11.716 -1.393) 12.115 1.471 ( -3.698 6.351 1.193) 7.445 1.543 ( 1.566 7.276 -2.081) 7.728 1.668 ( 2.200 12.080 -4.252) 12.994 1.682 ( 3.517 10.806 -1.873) 11.517 1.732 ( -2.961 1.831 3.516) 4.948 1.847 ( -1.403 12.224 3.104) 12.689 2.057 ( -1.414 2.566 5.135) 5.912 2.305 ( 3.684 -3.357 1.679) 5.259 2.702 ( -6.871 -2.307 -6.361) 9.644 2.855 ( 0.016 -1.107 -1.032) 1.514 2.952 ( -1.304 -2.766 -4.398) 5.357 3.146 ( 0.166 -0.718 1.846) 1.987 3.243 ( 1.114 0.942 -1.607) 2.170 3.301 ( -0.710 6.111 -2.786) 6.753 3.363 ( 0.528 1.870 -4.712) 5.097 3.471 ( -2.189 7.521 0.163) 7.835 3.539 ( -5.752 8.595 -2.908) 10.743 4.055 ( -0.551 12.295 3.232) 12.724 4.217 ( 3.399 8.041 0.300) 8.735 4.349 ( -2.399 2.762 1.116) 3.825 4.406 ( -1.045 -2.075 3.126) 3.895 4.466 ( 0.493 -3.294 2.245) 4.016 4.611 ( -1.756 -10.496 5.293) 11.885 4.812 ( 9.891 -13.934 -1.100) 17.123 4.854 ( 8.191 -8.969 -0.310) 12.150 9.181 ( 0.454 0.132 -0.570) 0.740 9.265 ( -0.713 1.968 -1.920) 2.840 9.385 ( 1.120 -3.960 0.834) 4.199 9.479 ( -0.558 5.181 1.454) 5.411 9.641 ( 1.819 8.855 0.633) 9.062 9.785 ( 2.088 12.378 -0.224) 12.555 10.046 ( -2.652 6.841 1.554) 7.499 10.601 ( -18.695 16.160 -10.553) 26.870 24.434 ( 0.393 21.989 -0.038) 21.992 24.483 ( -0.294 22.834 0.943) 22.855 24.531 ( -0.995 21.306 -1.088) 21.357 24.643 ( -5.950 22.580 -3.605) 23.628 26.986 ( 4.995 -2.740 0.296) 5.705 27.078 ( 9.568 -5.788 -1.571) 11.292 27.416 ( -2.221 -0.161 0.255) 2.242 27.447 ( 0.884 5.428 -0.095) 5.500 27.461 ( -0.628 -0.957 0.059) 1.146 27.616 ( 10.507 3.541 -4.139) 11.835 27.980 ( -4.317 4.923 2.834) 7.135 28.310 ( -2.281 1.857 -1.091) 3.138 49.436 ( 0.054 -11.295 0.402) 11.302 49.495 ( -0.916 -13.002 1.497) 13.120 49.553 ( 0.616 -13.096 -0.165) 13.112 49.621 ( -0.450 -13.406 0.210) 13.415 89.739 ( 1.034 17.599 0.550) 17.638 89.854 ( 1.724 20.736 -2.068) 20.911 89.993 ( 0.925 26.142 5.226) 26.675 91.583 ( -30.092 26.468 -36.240) 54.032 93.271 ( 2.050 4.618 0.132) 5.054 93.290 ( 2.897 3.931 0.171) 4.886 93.826 ( -13.914 9.003 5.199) 17.369 93.837 ( -5.312 -2.267 1.673) 6.013 ======================= Grid point 107 (39/112) ======================= q-point: ( 0.33 0.17 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 216 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.947 ( 9.078 8.981 -0.890) 12.801 1.124 ( 6.448 9.302 5.858) 12.745 1.266 ( -2.586 8.473 -2.213) 9.131 1.379 ( -4.670 7.198 1.733) 8.754 1.646 ( -2.011 9.738 -0.840) 9.979 1.665 ( 6.386 7.062 -6.276) 11.403 1.709 ( -1.254 7.991 -3.508) 8.817 1.744 ( 1.738 6.777 -3.449) 7.801 1.867 ( 6.774 6.964 2.076) 9.934 2.089 ( 4.820 3.743 6.797) 9.135 2.319 ( -2.593 -2.976 2.785) 4.831 2.497 ( -12.990 -1.252 -5.472) 14.151 2.843 ( -0.135 -2.029 2.954) 3.586 2.918 ( -1.963 -1.312 -2.739) 3.616 3.173 ( 2.201 0.629 0.226) 2.300 3.254 ( -0.624 2.747 -2.849) 4.007 3.292 ( 0.462 5.247 -0.464) 5.288 3.364 ( -0.605 1.224 -0.846) 1.606 3.415 ( -2.849 11.442 0.226) 11.793 3.454 ( -1.686 8.315 -0.545) 8.502 4.079 ( 3.009 8.186 3.646) 9.453 4.260 ( -2.905 3.210 3.961) 5.867 4.313 ( 2.360 6.235 0.719) 6.706 4.397 ( -0.406 1.680 0.573) 1.821 4.478 ( 0.815 -3.880 2.379) 4.624 4.562 ( -2.676 -7.830 4.171) 9.266 4.977 ( 6.642 -14.803 -5.288) 17.065 5.031 ( 5.836 -15.815 -3.625) 17.243 9.196 ( 0.996 -0.103 -0.642) 1.190 9.246 ( -1.089 0.780 -1.302) 1.868 9.413 ( 1.407 -2.174 0.096) 2.591 9.463 ( -0.905 2.439 0.598) 2.669 9.706 ( 4.575 11.804 0.982) 12.698 9.845 ( 3.546 14.200 -0.420) 14.642 9.969 ( -4.577 5.887 1.250) 7.561 10.205 ( -16.590 22.663 -3.253) 28.274 24.446 ( 0.634 21.978 -0.488) 21.992 24.479 ( 0.034 22.462 0.806) 22.477 24.501 ( -1.756 22.100 -1.324) 22.210 24.542 ( -3.150 22.984 -0.211) 23.200 27.115 ( 6.650 -3.303 0.681) 7.457 27.248 ( 6.344 -5.265 -1.540) 8.387 27.350 ( -3.925 -1.173 0.562) 4.135 27.421 ( -2.374 -1.920 -0.655) 3.123 27.522 ( 5.458 6.535 1.339) 8.619 27.835 ( -2.007 2.738 -0.748) 3.476 27.885 ( 6.463 2.159 -2.165) 7.150 28.235 ( -5.072 0.908 -2.556) 5.752 49.440 ( 0.434 -11.560 0.149) 11.569 49.474 ( -1.037 -12.410 0.380) 12.459 49.568 ( 0.833 -13.183 0.541) 13.220 49.607 ( -0.833 -13.325 0.360) 13.356 89.770 ( 1.945 18.798 0.951) 18.922 89.861 ( -1.381 21.343 0.905) 21.406 90.087 ( 8.896 28.206 -0.214) 29.576 90.896 ( -30.829 36.847 -16.668) 50.852 93.324 ( 2.955 4.892 1.251) 5.851 93.375 ( 4.359 -1.246 0.678) 4.584 93.587 ( -6.907 11.949 5.205) 14.750 93.720 ( -6.594 -1.177 0.572) 6.722 ======================= Grid point 108 (40/112) ======================= q-point: (-0.50 0.17 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.122 ( -6.616 7.555 -0.323) 10.047 1.122 ( 6.616 7.555 -0.323) 10.047 1.282 ( -4.526 8.824 2.026) 10.122 1.282 ( 4.526 8.824 2.026) 10.122 1.637 ( -1.997 7.580 -3.268) 8.492 1.637 ( 1.997 7.580 -3.268) 8.492 1.751 ( -1.795 8.239 -7.114) 11.032 1.751 ( 1.795 8.239 -7.114) 11.032 2.146 ( -14.870 0.711 -0.565) 14.898 2.146 ( 14.870 0.711 -0.565) 14.898 2.236 ( -7.128 1.293 5.606) 9.160 2.236 ( 7.128 1.293 5.606) 9.160 2.870 ( -2.308 -1.417 0.538) 2.761 2.870 ( 2.308 -1.417 0.538) 2.761 3.221 ( -2.146 3.690 -1.709) 4.598 3.221 ( 2.146 3.690 -1.709) 4.598 3.321 ( -2.166 3.423 0.150) 4.053 3.321 ( 2.166 3.423 0.150) 4.053 3.420 ( -1.732 8.390 0.354) 8.574 3.420 ( 1.732 8.390 0.354) 8.574 4.167 ( -4.823 4.493 4.423) 7.938 4.167 ( 4.823 4.493 4.423) 7.938 4.372 ( -2.175 4.708 0.189) 5.189 4.372 ( 2.175 4.708 0.189) 5.189 4.509 ( -2.174 -5.461 2.960) 6.582 4.509 ( 2.174 -5.461 2.960) 6.582 5.072 ( -1.746 -16.270 -5.566) 17.284 5.072 ( 1.746 -16.270 -5.566) 17.284 9.221 ( -1.273 0.019 -0.894) 1.556 9.221 ( 1.273 0.019 -0.894) 1.556 9.441 ( -1.228 -0.104 0.005) 1.232 9.441 ( 1.228 -0.104 0.005) 1.232 9.833 ( -6.843 11.484 0.602) 13.382 9.833 ( 6.843 11.484 0.602) 13.382 9.959 ( -6.818 17.252 -0.148) 18.551 9.959 ( 6.818 17.252 -0.148) 18.551 24.462 ( -1.111 22.432 -0.838) 22.475 24.462 ( 1.111 22.432 -0.838) 22.475 24.499 ( -1.302 22.180 0.540) 22.225 24.499 ( 1.302 22.180 0.540) 22.225 27.245 ( -5.506 -2.694 0.564) 6.156 27.245 ( 5.506 -2.694 0.564) 6.156 27.357 ( -3.791 -3.166 -0.974) 5.035 27.357 ( 3.791 -3.166 -0.974) 5.035 27.673 ( -8.409 6.157 2.239) 10.660 27.673 ( 8.409 6.157 2.239) 10.660 28.093 ( -8.598 -0.407 -4.326) 9.634 28.093 ( 8.598 -0.407 -4.326) 9.634 49.454 ( -0.855 -11.968 0.045) 11.998 49.454 ( 0.855 -11.968 0.045) 11.998 49.587 ( -0.973 -13.224 0.559) 13.271 49.587 ( 0.973 -13.224 0.559) 13.271 89.817 ( -2.378 20.303 1.412) 20.490 89.817 ( 2.378 20.303 1.412) 20.490 90.374 ( -18.883 33.545 -5.831) 38.933 90.374 ( 18.883 33.545 -5.831) 38.933 93.390 ( -2.919 2.156 2.515) 4.415 93.390 ( 2.919 2.156 2.515) 4.415 93.582 ( -5.554 4.547 0.730) 7.215 93.582 ( 5.554 4.547 0.730) 7.215 ======================= Grid point 112 (41/112) ======================= q-point: ( 0.00 0.25 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.931 ( 0.000 13.421 4.845) 14.268 1.121 ( 0.000 11.608 5.642) 12.907 1.464 ( 0.000 10.308 -1.680) 10.444 1.532 ( 0.000 -0.784 2.021) 2.168 1.641 ( 0.000 5.021 0.905) 5.101 1.786 ( 0.000 5.530 1.553) 5.743 1.872 ( 0.000 5.796 -1.237) 5.927 1.929 ( 0.000 5.848 -3.122) 6.630 2.051 ( 0.000 7.505 4.151) 8.576 2.191 ( 0.000 10.770 5.053) 11.897 2.240 ( 0.000 1.543 -4.245) 4.517 2.726 ( 0.000 -2.984 -2.058) 3.625 2.809 ( 0.000 -2.890 -4.816) 5.616 2.898 ( 0.000 -2.937 -5.899) 6.590 3.119 ( 0.000 -2.730 2.184) 3.496 3.221 ( 0.000 -0.743 -1.795) 1.942 3.320 ( 0.000 -3.227 -2.099) 3.850 3.386 ( 0.000 1.213 -3.499) 3.704 3.541 ( 0.000 -3.904 2.340) 4.552 3.611 ( 0.000 -4.511 2.009) 4.938 4.330 ( 0.000 1.157 0.839) 1.429 4.332 ( 0.000 -6.440 1.595) 6.634 4.383 ( 0.000 0.819 0.984) 1.280 4.400 ( 0.000 15.692 1.633) 15.776 4.436 ( 0.000 4.412 -0.937) 4.510 4.500 ( 0.000 0.550 1.482) 1.581 4.530 ( 0.000 -9.553 -1.744) 9.711 4.762 ( 0.000 8.525 0.473) 8.538 9.174 ( 0.000 -0.108 -1.032) 1.037 9.265 ( 0.000 -2.311 -1.741) 2.893 9.284 ( 0.000 -3.111 2.162) 3.788 9.446 ( 0.000 -3.011 -0.933) 3.153 9.950 ( 0.000 17.502 1.466) 17.563 10.031 ( 0.000 13.847 -0.172) 13.848 10.286 ( 0.000 12.462 3.318) 12.896 10.931 ( 0.000 2.185 -7.335) 7.653 24.910 ( 0.000 24.637 0.457) 24.641 24.986 ( 0.000 25.799 0.613) 25.806 25.012 ( 0.000 24.532 -0.777) 24.544 25.130 ( 0.000 20.081 -2.697) 20.262 26.887 ( 0.000 -2.382 -0.003) 2.382 26.892 ( 0.000 -2.209 -0.165) 2.215 27.438 ( 0.000 -0.492 0.155) 0.516 27.440 ( 0.000 -1.429 0.145) 1.437 27.575 ( 0.000 5.974 -0.220) 5.978 27.602 ( 0.000 5.808 -1.068) 5.905 28.138 ( 0.000 6.269 2.258) 6.664 28.392 ( 0.000 3.240 -1.177) 3.447 49.183 ( 0.000 -13.473 0.262) 13.475 49.216 ( 0.000 -14.847 1.766) 14.952 49.258 ( 0.000 -15.264 -0.773) 15.283 49.327 ( 0.000 -15.660 -0.304) 15.663 90.073 ( 0.000 16.198 0.454) 16.204 90.220 ( 0.000 17.499 -3.999) 17.950 90.482 ( 0.000 21.283 9.390) 23.263 91.935 ( 0.000 -8.884 -17.171) 19.334 93.390 ( 0.000 10.169 -2.188) 10.402 93.447 ( 0.000 11.785 -1.673) 11.904 93.835 ( 0.000 0.902 2.466) 2.626 94.225 ( 0.000 9.523 -6.140) 11.330 ======================= Grid point 113 (42/112) ======================= q-point: ( 0.17 0.25 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 216 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.999 ( 5.264 11.477 2.005) 12.785 1.172 ( 4.862 10.041 5.957) 12.647 1.462 ( -0.217 7.841 -3.170) 8.460 1.585 ( 1.934 3.980 1.217) 4.589 1.622 ( 0.019 2.796 -0.614) 2.863 1.736 ( -1.966 3.931 2.441) 5.028 1.878 ( 1.464 7.737 -4.064) 8.861 1.953 ( -0.308 8.072 -3.088) 8.648 2.060 ( -0.206 8.713 4.091) 9.627 2.136 ( -1.531 6.081 2.387) 6.710 2.286 ( 1.897 1.403 0.973) 2.552 2.661 ( -5.370 -1.377 -4.829) 7.352 2.806 ( -0.939 -3.523 0.359) 3.664 2.899 ( 0.298 -1.776 -5.593) 5.876 3.105 ( -0.793 -3.083 2.408) 3.991 3.228 ( 0.279 -1.633 -0.833) 1.854 3.327 ( 0.544 -4.079 -2.326) 4.727 3.374 ( -1.061 0.853 -3.472) 3.729 3.533 ( -0.564 -2.939 2.196) 3.712 3.588 ( -1.956 -2.775 1.872) 3.877 4.310 ( -1.438 5.080 0.804) 5.341 4.327 ( -0.554 -2.216 2.340) 3.270 4.375 ( -0.350 -1.707 1.468) 2.279 4.413 ( 1.854 10.331 -0.285) 10.500 4.469 ( 1.047 3.482 1.860) 4.085 4.486 ( -0.456 0.258 0.653) 0.837 4.598 ( 5.782 -7.745 -2.800) 10.063 4.805 ( 3.300 4.834 -0.753) 5.901 9.174 ( 0.074 -0.290 -0.887) 0.936 9.242 ( -1.288 -2.177 -0.002) 2.529 9.314 ( 1.954 -3.129 0.139) 3.692 9.441 ( -0.483 -3.020 -0.989) 3.214 9.957 ( 0.940 16.693 1.571) 16.794 10.070 ( 3.356 14.629 -0.459) 15.016 10.259 ( -2.483 12.820 3.199) 13.444 10.811 ( -10.384 6.166 -5.788) 13.392 24.912 ( 0.211 24.551 0.332) 24.554 24.980 ( -0.515 25.631 0.524) 25.641 25.001 ( -1.014 24.474 -0.743) 24.506 25.090 ( -3.250 21.711 -1.808) 22.027 26.934 ( 4.426 -2.500 0.191) 5.087 26.979 ( 7.036 -4.126 -0.646) 8.182 27.404 ( -2.844 -0.916 0.323) 3.005 27.426 ( -1.678 -1.664 -0.036) 2.363 27.579 ( 2.002 6.590 0.322) 6.895 27.702 ( 7.664 4.671 -1.930) 9.181 28.096 ( -3.945 6.436 2.350) 7.906 28.363 ( -2.819 3.003 -1.413) 4.354 49.182 ( -0.082 -13.498 0.205) 13.500 49.210 ( -0.468 -14.738 1.214) 14.795 49.262 ( 0.438 -15.318 -0.313) 15.327 49.323 ( -0.416 -15.656 -0.230) 15.663 90.091 ( 1.750 16.487 0.620) 16.592 90.253 ( 2.541 17.818 -3.825) 18.401 90.483 ( 0.885 20.903 8.297) 22.507 91.767 ( -15.500 -3.041 -15.601) 22.201 93.400 ( 0.947 9.769 -2.051) 10.027 93.450 ( 0.313 10.681 -1.248) 10.758 93.815 ( -1.711 2.410 2.268) 3.725 94.087 ( -10.859 13.120 -2.852) 17.267 ======================= Grid point 114 (43/112) ======================= q-point: ( 0.33 0.25 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 216 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.126 ( 6.899 8.502 -1.773) 11.091 1.293 ( 5.633 7.703 4.310) 10.471 1.407 ( -4.686 5.353 -3.353) 7.865 1.541 ( -4.070 9.133 0.551) 10.014 1.679 ( 2.899 -0.428 -5.352) 6.102 1.797 ( 5.488 3.760 0.640) 6.684 1.886 ( -3.834 8.720 -4.126) 10.381 1.913 ( 0.972 7.055 -6.700) 9.778 2.048 ( 1.549 9.312 0.542) 9.456 2.183 ( 4.632 5.086 7.771) 10.379 2.286 ( -2.231 -0.503 3.401) 4.099 2.506 ( -9.352 2.155 -0.862) 9.635 2.794 ( 0.818 -2.661 2.559) 3.781 2.894 ( -1.484 -0.820 -3.550) 3.934 3.114 ( 2.004 -4.396 1.765) 5.144 3.219 ( -1.321 -3.588 0.204) 3.829 3.334 ( 0.012 -3.922 -2.153) 4.474 3.349 ( -1.053 -0.251 -3.268) 3.442 3.525 ( -0.131 -1.756 1.678) 2.433 3.547 ( -1.534 -0.710 1.202) 2.074 4.287 ( -0.492 7.665 1.295) 7.789 4.310 ( -0.997 2.304 2.537) 3.569 4.382 ( 1.097 -3.303 1.805) 3.921 4.452 ( -0.829 -2.050 2.000) 2.982 4.459 ( 1.333 7.257 0.477) 7.394 4.495 ( 0.356 4.216 -0.033) 4.231 4.737 ( 6.546 -6.950 -3.642) 10.218 4.861 ( 1.314 -1.107 -2.627) 3.139 9.179 ( 0.447 -0.742 -0.536) 1.019 9.216 ( -1.193 -1.836 0.148) 2.194 9.357 ( 2.040 -3.158 -0.665) 3.818 9.425 ( -1.071 -3.045 -1.078) 3.403 9.999 ( 3.092 15.547 1.738) 15.946 10.149 ( 1.503 13.599 -0.684) 13.699 10.203 ( 0.090 15.556 2.536) 15.762 10.559 ( -12.316 12.770 -3.026) 17.997 24.920 ( 0.624 24.396 0.018) 24.404 24.965 ( -1.121 24.708 -0.219) 24.735 24.979 ( -0.591 24.939 -0.083) 24.946 25.023 ( -2.701 23.795 -0.487) 23.952 27.054 ( 6.634 -2.790 0.421) 7.209 27.138 ( 7.277 -5.296 -1.034) 9.059 27.321 ( -4.882 -1.584 0.578) 5.165 27.371 ( -3.555 -2.840 -0.281) 4.558 27.662 ( 5.794 7.221 1.050) 9.318 27.887 ( 7.858 3.298 -3.093) 9.066 27.988 ( -4.608 6.420 2.603) 8.321 28.271 ( -5.974 2.438 -1.944) 6.739 49.182 ( 0.100 -13.677 0.123) 13.678 49.198 ( -0.617 -14.445 0.502) 14.467 49.275 ( 0.752 -15.422 0.143) 15.441 49.310 ( -0.748 -15.620 -0.040) 15.638 90.143 ( 3.103 17.250 1.045) 17.558 90.273 ( -1.407 18.604 -0.230) 18.658 90.585 ( 9.993 19.481 1.987) 21.984 91.344 ( -22.777 9.133 -10.329) 26.625 93.429 ( 1.641 8.096 -1.585) 8.411 93.460 ( 0.465 8.204 -0.850) 8.261 93.775 ( -1.668 6.766 1.916) 7.227 93.874 ( -7.969 15.214 0.679) 17.188 ======================= Grid point 115 (44/112) ======================= q-point: (-0.50 0.25 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.274 ( -6.589 6.506 -2.253) 9.530 1.274 ( 6.589 6.506 -2.253) 9.530 1.427 ( -6.161 6.836 0.367) 9.210 1.427 ( 6.161 6.836 0.367) 9.210 1.753 ( -4.485 3.451 -5.304) 7.756 1.753 ( 4.485 3.451 -5.304) 7.756 1.916 ( -1.277 8.139 -5.468) 9.888 1.916 ( 1.277 8.139 -5.468) 9.888 2.168 ( -8.097 1.478 1.687) 8.401 2.168 ( 8.097 1.478 1.687) 8.401 2.315 ( -7.523 5.540 7.321) 11.869 2.315 ( 7.523 5.540 7.321) 11.869 2.841 ( -3.029 -1.390 0.101) 3.334 2.841 ( 3.029 -1.390 0.101) 3.334 3.172 ( -2.936 -4.781 0.692) 5.653 3.172 ( 2.936 -4.781 0.692) 5.653 3.335 ( -0.296 -2.000 -2.522) 3.232 3.335 ( 0.296 -2.000 -2.522) 3.232 3.528 ( -0.428 -0.880 1.086) 1.462 3.528 ( 0.428 -0.880 1.086) 1.462 4.291 ( -0.711 5.594 1.932) 5.961 4.291 ( 0.711 5.594 1.932) 5.961 4.416 ( -1.902 -2.331 2.682) 4.031 4.416 ( 1.902 -2.331 2.682) 4.031 4.490 ( -0.891 5.047 -0.359) 5.137 4.490 ( 0.891 5.047 -0.359) 5.137 4.843 ( -3.155 -5.123 -3.619) 7.022 4.843 ( 3.155 -5.123 -3.619) 7.022 9.193 ( -0.920 -1.338 -0.139) 1.629 9.193 ( 0.920 -1.338 -0.139) 1.629 9.396 ( -1.660 -3.099 -1.025) 3.662 9.396 ( 1.660 -3.099 -1.025) 3.662 10.081 ( -4.429 14.071 1.769) 14.858 10.081 ( 4.429 14.071 1.769) 14.858 10.331 ( -8.993 16.161 -1.068) 18.525 10.331 ( 8.993 16.161 -1.068) 18.525 24.939 ( -1.129 24.365 -0.360) 24.394 24.939 ( 1.129 24.365 -0.360) 24.394 24.984 ( -1.016 24.740 0.128) 24.761 24.984 ( 1.016 24.740 0.128) 24.761 27.193 ( -5.929 -2.506 0.131) 6.438 27.193 ( 5.929 -2.506 0.131) 6.438 27.280 ( -4.872 -4.249 -0.278) 6.471 27.280 ( 4.872 -4.249 -0.278) 6.471 27.809 ( -7.648 7.207 1.410) 10.603 27.809 ( 7.648 7.207 1.410) 10.603 28.114 ( -8.837 2.162 -2.218) 9.364 28.114 ( 8.837 2.162 -2.218) 9.364 49.187 ( -0.427 -14.042 0.174) 14.049 49.187 ( 0.427 -14.042 0.174) 14.049 49.293 ( -0.875 -15.534 0.155) 15.559 49.293 ( 0.875 -15.534 0.155) 15.559 90.215 ( -3.489 18.184 1.338) 18.564 90.215 ( 3.489 18.184 1.338) 18.564 90.893 ( -18.910 16.862 -4.186) 25.680 90.893 ( 18.910 16.862 -4.186) 25.680 93.458 ( -0.835 6.638 -1.097) 6.780 93.458 ( 0.835 6.638 -1.097) 6.780 93.771 ( -1.959 12.411 1.638) 12.671 93.771 ( 1.959 12.411 1.638) 12.671 ======================= Grid point 119 (45/112) ======================= q-point: ( 0.00 0.33 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.190 ( 0.000 11.945 3.038) 12.325 1.336 ( 0.000 9.778 1.943) 9.969 1.500 ( 0.000 -1.864 5.653) 5.952 1.625 ( 0.000 4.802 0.833) 4.873 1.712 ( 0.000 1.684 -0.147) 1.690 1.893 ( 0.000 4.257 -0.712) 4.316 1.964 ( 0.000 4.108 -2.917) 5.038 1.966 ( 0.000 3.347 1.416) 3.634 2.252 ( 0.000 9.059 -0.487) 9.072 2.277 ( 0.000 2.145 -3.804) 4.367 2.349 ( 0.000 4.095 -0.565) 4.134 2.673 ( 0.000 -2.282 0.348) 2.309 2.723 ( 0.000 -5.637 -4.721) 7.353 2.855 ( 0.000 -2.891 -1.361) 3.195 3.047 ( 0.000 -2.890 -1.093) 3.089 3.201 ( 0.000 -1.423 -2.929) 3.257 3.274 ( 0.000 -0.855 1.572) 1.789 3.369 ( 0.000 -2.380 -1.779) 2.971 3.393 ( 0.000 -8.877 3.218) 9.443 3.480 ( 0.000 -7.607 2.575) 8.031 4.214 ( 0.000 -5.070 1.650) 5.332 4.301 ( 0.000 -3.269 -0.275) 3.280 4.326 ( 0.000 -7.408 0.975) 7.472 4.347 ( 0.000 -2.236 1.044) 2.468 4.564 ( 0.000 4.874 -0.875) 4.952 4.575 ( 0.000 4.752 -0.850) 4.828 4.709 ( 0.000 12.924 0.399) 12.930 4.949 ( 0.000 8.249 -2.604) 8.651 9.169 ( 0.000 -0.349 -1.286) 1.332 9.222 ( 0.000 -1.519 -1.189) 1.929 9.276 ( 0.000 2.253 2.395) 3.289 9.414 ( 0.000 -0.348 -0.595) 0.689 10.258 ( 0.000 12.742 0.389) 12.748 10.287 ( 0.000 11.042 -0.098) 11.042 10.526 ( 0.000 10.803 3.091) 11.237 10.943 ( 0.000 -0.709 -3.330) 3.404 25.378 ( 0.000 21.122 0.469) 21.127 25.479 ( 0.000 22.279 0.298) 22.281 25.479 ( 0.000 20.401 -1.252) 20.440 25.516 ( 0.000 18.258 -0.245) 18.260 26.841 ( 0.000 -2.181 0.053) 2.181 26.848 ( 0.000 -2.203 -0.076) 2.205 27.414 ( 0.000 -1.239 0.202) 1.256 27.422 ( 0.000 -1.084 0.093) 1.088 27.687 ( 0.000 5.050 -0.030) 5.050 27.708 ( 0.000 4.641 -0.463) 4.664 28.269 ( 0.000 6.462 1.531) 6.641 28.451 ( 0.000 2.454 -1.122) 2.698 48.913 ( 0.000 -12.717 0.302) 12.721 48.941 ( 0.000 -11.929 0.904) 11.963 48.959 ( 0.000 -13.816 -0.380) 13.822 49.024 ( 0.000 -13.893 -0.429) 13.899 90.351 ( 0.000 11.259 0.388) 11.266 90.501 ( 0.000 10.176 -3.984) 10.929 90.816 ( 0.000 12.398 8.630) 15.106 91.699 ( 0.000 -13.180 -6.547) 14.717 93.628 ( 0.000 12.637 -1.554) 12.732 93.716 ( 0.000 13.962 -3.916) 14.501 93.920 ( 0.000 7.182 4.267) 8.354 94.380 ( 0.000 5.241 -5.772) 7.796 ======================= Grid point 120 (46/112) ======================= q-point: ( 0.17 0.33 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 216 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.222 ( 2.569 10.512 1.725) 10.958 1.353 ( 1.921 7.621 2.599) 8.278 1.528 ( 1.568 -0.017 1.259) 2.011 1.646 ( 0.761 3.421 -0.728) 3.580 1.696 ( 0.242 1.889 0.931) 2.120 1.859 ( -1.369 7.628 -0.306) 7.756 1.979 ( 1.677 2.528 -3.366) 4.531 2.024 ( 2.394 3.522 -0.469) 4.284 2.232 ( -0.604 5.404 0.325) 5.447 2.253 ( -3.002 5.992 -1.982) 6.989 2.329 ( -0.957 2.236 -0.575) 2.499 2.647 ( -2.391 -0.713 -1.180) 2.760 2.720 ( -0.345 -4.851 0.421) 4.881 2.873 ( 1.705 -2.497 -1.687) 3.463 3.025 ( -1.923 -3.530 -0.047) 4.020 3.187 ( -1.315 -2.172 -2.267) 3.404 3.262 ( -0.914 -1.814 0.357) 2.062 3.348 ( -1.904 -3.126 -2.323) 4.335 3.398 ( 0.467 -8.330 3.241) 8.951 3.474 ( -0.630 -7.275 2.582) 7.745 4.226 ( 1.133 -4.506 1.547) 4.897 4.314 ( 0.916 -1.827 0.118) 2.047 4.344 ( 1.021 -5.774 0.496) 5.884 4.355 ( 0.978 -4.303 1.061) 4.538 4.562 ( 0.394 5.324 -0.672) 5.380 4.618 ( 3.561 4.087 -1.330) 5.581 4.696 ( -1.093 12.101 0.515) 12.162 4.946 ( -0.471 6.823 -2.636) 7.329 9.169 ( 0.128 -0.066 -1.020) 1.031 9.227 ( 0.112 0.003 -1.115) 1.120 9.280 ( 0.631 0.647 1.848) 2.058 9.406 ( -0.749 -0.573 -0.638) 1.139 10.256 ( 0.639 12.760 0.766) 12.799 10.334 ( 3.603 11.114 -0.623) 11.700 10.506 ( -1.800 11.085 3.081) 11.645 10.882 ( -5.490 1.359 -2.817) 6.319 25.379 ( 0.138 21.122 0.402) 21.126 25.464 ( -1.193 20.948 -0.816) 20.998 25.472 ( -0.694 21.697 -0.051) 21.708 25.499 ( -1.439 18.912 -0.104) 18.967 26.886 ( 4.134 -2.259 0.135) 4.713 26.907 ( 5.254 -3.135 -0.220) 6.122 27.381 ( -3.107 -1.296 0.254) 3.376 27.394 ( -2.639 -1.641 0.054) 3.108 27.705 ( 2.785 5.787 0.387) 6.434 27.791 ( 6.488 3.892 -1.011) 7.633 28.229 ( -3.716 6.567 1.600) 7.713 28.419 ( -3.132 2.329 -1.206) 4.085 48.913 ( -0.013 -12.635 0.250) 12.638 48.935 ( -0.466 -12.040 0.592) 12.064 48.964 ( 0.405 -13.758 -0.091) 13.764 49.019 ( -0.429 -13.914 -0.377) 13.925 90.373 ( 2.121 11.393 0.515) 11.600 90.540 ( 3.276 10.425 -4.364) 11.766 90.801 ( -0.865 11.306 8.331) 14.071 91.606 ( -8.598 -10.923 -6.077) 15.171 93.635 ( 0.624 12.596 -1.481) 12.698 93.709 ( -0.595 14.445 -3.566) 14.890 93.924 ( 0.540 7.636 3.772) 8.534 94.301 ( -6.733 7.561 -4.324) 11.009 ======================= Grid point 121 (47/112) ======================= q-point: ( 0.33 0.33 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 216 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.286 ( 3.632 7.468 -0.850) 8.347 1.419 ( 4.153 4.641 0.304) 6.235 1.492 ( -4.415 2.899 -2.165) 5.709 1.673 ( -1.025 1.638 -2.164) 2.901 1.713 ( 1.940 4.823 -2.212) 5.650 1.861 ( 0.608 4.261 -0.743) 4.368 2.023 ( 2.412 4.879 -3.730) 6.598 2.033 ( 0.571 5.878 -4.112) 7.196 2.186 ( -2.377 3.843 -1.587) 4.789 2.271 ( 1.481 2.256 1.792) 3.239 2.306 ( 0.588 3.800 6.506) 7.557 2.555 ( -6.161 1.636 2.768) 6.950 2.738 ( 2.465 -2.912 2.039) 4.326 2.891 ( -1.733 0.364 -2.296) 2.900 3.004 ( 1.549 -7.080 2.154) 7.560 3.145 ( -2.724 -3.296 -1.035) 4.400 3.245 ( -0.407 -4.036 -1.941) 4.496 3.298 ( -2.532 -4.278 -3.505) 6.083 3.411 ( 0.796 -7.457 3.216) 8.160 3.455 ( -1.118 -6.760 2.699) 7.364 4.259 ( 1.875 -3.097 1.223) 3.822 4.324 ( -0.422 -1.839 0.634) 1.991 4.358 ( 0.950 -1.942 0.746) 2.287 4.380 ( 0.735 -5.570 0.547) 5.645 4.582 ( 1.436 6.133 -0.372) 6.310 4.658 ( -1.568 9.549 -0.088) 9.677 4.727 ( 5.537 2.925 -1.465) 6.431 4.919 ( -2.367 4.035 -2.610) 5.357 9.177 ( 0.638 0.709 -0.645) 1.152 9.217 ( -0.935 1.824 -0.372) 2.083 9.307 ( 1.817 -1.455 0.269) 2.344 9.383 ( -1.431 -1.103 -0.676) 1.929 10.291 ( 2.607 12.995 1.153) 13.304 10.407 ( 1.011 11.514 -0.844) 11.589 10.475 ( 1.190 10.872 2.477) 11.214 10.737 ( -7.666 5.544 -1.724) 9.617 25.386 ( 0.592 21.142 0.228) 21.152 25.435 ( -1.479 21.209 -0.543) 21.268 25.456 ( -0.716 21.438 0.009) 21.450 25.466 ( -1.411 19.829 -0.018) 19.879 27.002 ( 6.633 -2.414 0.256) 7.063 27.043 ( 7.134 -4.130 -0.418) 8.254 27.288 ( -5.619 -1.748 0.390) 5.898 27.314 ( -4.884 -2.779 -0.042) 5.619 27.803 ( 6.332 6.631 0.817) 9.205 27.956 ( 8.572 3.151 -1.841) 9.317 28.121 ( -6.095 6.570 1.892) 9.159 28.320 ( -6.293 2.101 -1.346) 6.769 48.913 ( 0.057 -12.442 0.184) 12.443 48.925 ( -0.483 -12.110 0.333) 12.124 48.975 ( 0.652 -13.839 0.045) 13.855 49.007 ( -0.725 -13.943 -0.234) 13.964 90.437 ( 3.769 11.823 0.797) 12.435 90.585 ( -0.677 12.410 -2.046) 12.596 90.841 ( 6.458 6.577 4.107) 10.091 91.361 ( -13.969 -5.022 -4.399) 15.483 93.652 ( 0.928 12.789 -1.419) 12.901 93.692 ( -0.944 14.684 -2.623) 14.946 93.949 ( 2.047 9.186 2.387) 9.709 94.144 ( -7.280 10.642 -1.648) 12.998 ======================= Grid point 122 (48/112) ======================= q-point: (-0.50 0.33 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.377 ( -4.935 4.191 -2.216) 6.843 1.377 ( 4.935 4.191 -2.216) 6.843 1.551 ( -7.163 4.443 -2.577) 8.814 1.551 ( 7.163 4.443 -2.577) 8.814 1.810 ( -4.754 3.484 -3.668) 6.941 1.810 ( 4.754 3.484 -3.668) 6.941 2.064 ( -0.508 6.254 -4.833) 7.920 2.064 ( 0.508 6.254 -4.833) 7.920 2.197 ( -4.333 1.427 2.838) 5.373 2.197 ( 4.333 1.427 2.838) 5.373 2.416 ( -6.599 3.902 6.708) 10.187 2.416 ( 6.599 3.902 6.708) 10.187 2.815 ( -4.363 -1.241 0.637) 4.580 2.815 ( 4.363 -1.241 0.637) 4.580 3.073 ( -3.930 -5.453 0.519) 6.742 3.073 ( 3.930 -5.453 0.519) 6.742 3.255 ( -1.369 -4.847 -3.700) 6.249 3.255 ( 1.369 -4.847 -3.700) 6.249 3.431 ( -1.079 -6.796 2.984) 7.500 3.431 ( 1.079 -6.796 2.984) 7.500 4.298 ( -1.757 -1.976 0.866) 2.783 4.298 ( 1.757 -1.976 0.866) 2.783 4.379 ( -0.747 -3.218 0.729) 3.383 4.379 ( 0.747 -3.218 0.729) 3.383 4.619 ( -1.930 7.646 -0.049) 7.886 4.619 ( 1.930 7.646 -0.049) 7.886 4.843 ( -4.861 2.222 -2.317) 5.826 4.843 ( 4.861 2.222 -2.317) 5.826 9.195 ( -1.035 1.569 -0.354) 1.913 9.195 ( 1.035 1.569 -0.354) 1.913 9.347 ( -1.886 -1.586 -0.481) 2.511 9.347 ( 1.886 -1.586 -0.481) 2.511 10.358 ( -3.467 12.728 1.252) 13.251 10.358 ( 3.467 12.728 1.252) 13.251 10.581 ( -6.890 8.824 -0.569) 11.210 10.581 ( 6.890 8.824 -0.569) 11.210 25.405 ( -1.225 21.250 -0.057) 21.285 25.405 ( 1.225 21.250 -0.057) 21.285 25.449 ( -0.190 20.737 -0.058) 20.738 25.449 ( 0.190 20.737 -0.058) 20.738 27.145 ( -5.615 -2.234 -0.146) 6.045 27.145 ( 5.615 -2.234 -0.146) 6.045 27.197 ( -5.135 -3.880 0.242) 6.440 27.197 ( 5.135 -3.880 0.242) 6.440 27.954 ( -7.420 7.019 0.804) 10.245 27.954 ( 7.420 7.019 0.804) 10.245 28.161 ( -8.431 2.164 -1.096) 8.773 28.161 ( 8.431 2.164 -1.096) 8.773 48.917 ( -0.270 -12.240 0.208) 12.245 48.917 ( 0.270 -12.240 0.208) 12.245 48.990 ( -0.797 -13.925 -0.055) 13.948 48.990 ( 0.797 -13.925 -0.055) 13.948 90.523 ( -4.155 12.499 0.698) 13.190 90.523 ( 4.155 12.499 0.698) 13.190 91.062 ( -13.471 1.390 -1.402) 13.615 91.062 ( 13.471 1.390 -1.402) 13.615 93.672 ( -0.978 13.725 -1.738) 13.869 93.672 ( 0.978 13.725 -1.738) 13.869 94.018 ( -4.610 10.891 0.553) 11.839 94.018 ( 4.610 10.891 0.553) 11.839 ======================= Grid point 126 (49/112) ======================= q-point: ( 0.00 0.42 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.395 ( 0.000 8.237 2.000) 8.476 1.487 ( 0.000 1.253 4.962) 5.118 1.496 ( 0.000 5.102 0.090) 5.103 1.642 ( 0.000 -2.355 3.697) 4.383 1.728 ( 0.000 1.164 -1.488) 1.889 1.894 ( 0.000 -3.102 -5.389) 6.219 2.094 ( 0.000 7.503 1.859) 7.730 2.096 ( 0.000 8.264 0.648) 8.289 2.327 ( 0.000 2.984 -2.352) 3.799 2.357 ( 0.000 -0.508 -4.102) 4.133 2.406 ( 0.000 4.690 -0.381) 4.706 2.578 ( 0.000 -8.589 -5.377) 10.133 2.625 ( 0.000 -2.684 2.669) 3.785 2.749 ( 0.000 -6.732 2.669) 7.242 3.050 ( 0.000 2.272 -3.210) 3.932 3.159 ( 0.000 -2.672 -4.523) 5.254 3.249 ( 0.000 -4.346 2.482) 5.005 3.279 ( 0.000 0.993 2.974) 3.135 3.300 ( 0.000 -4.464 -0.311) 4.475 3.354 ( 0.000 -3.825 3.328) 5.070 4.132 ( 0.000 -2.900 1.890) 3.461 4.169 ( 0.000 -5.366 1.804) 5.661 4.288 ( 0.000 -0.508 -0.531) 0.735 4.309 ( 0.000 -1.491 -0.221) 1.507 4.632 ( 0.000 2.035 -0.851) 2.206 4.642 ( 0.000 1.801 -1.045) 2.083 4.920 ( 0.000 8.196 -0.830) 8.238 5.056 ( 0.000 2.148 -2.930) 3.633 9.173 ( 0.000 0.815 -0.217) 0.843 9.204 ( 0.000 -0.470 -0.540) 0.716 9.343 ( 0.000 3.655 1.098) 3.817 9.416 ( 0.000 0.098 -0.200) 0.223 10.452 ( 0.000 6.504 0.076) 6.504 10.459 ( 0.000 5.923 -0.027) 5.923 10.710 ( 0.000 7.546 1.808) 7.760 10.908 ( 0.000 -2.739 -1.189) 2.986 25.725 ( 0.000 12.773 0.268) 12.776 25.778 ( 0.000 9.923 -0.648) 9.944 25.843 ( 0.000 13.138 0.105) 13.138 25.848 ( 0.000 12.682 0.104) 12.682 26.802 ( 0.000 -1.551 0.073) 1.552 26.807 ( 0.000 -1.746 -0.006) 1.746 27.391 ( 0.000 -0.934 0.190) 0.953 27.397 ( 0.000 -1.187 0.108) 1.192 27.770 ( 0.000 3.060 0.066) 3.061 27.782 ( 0.000 2.523 -0.142) 2.527 28.387 ( 0.000 5.029 0.716) 5.080 28.482 ( 0.000 0.401 -0.688) 0.796 48.706 ( 0.000 -7.323 0.226) 7.327 48.730 ( 0.000 -8.458 -0.154) 8.459 48.753 ( 0.000 -6.458 0.371) 6.469 48.794 ( 0.000 -8.537 -0.252) 8.540 90.527 ( 0.000 6.478 0.306) 6.486 90.626 ( 0.000 2.444 -1.830) 3.053 91.021 ( 0.000 9.162 4.470) 10.194 91.439 ( 0.000 -12.290 -2.371) 12.516 93.859 ( 0.000 9.519 -0.434) 9.529 93.939 ( 0.000 6.729 -1.958) 7.008 94.112 ( 0.000 11.481 1.606) 11.593 94.420 ( 0.000 -1.431 -3.973) 4.222 ======================= Grid point 127 (50/112) ======================= q-point: ( 0.17 0.42 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 216 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.405 ( 0.714 7.182 1.376) 7.347 1.458 ( -0.195 3.354 1.488) 3.675 1.546 ( 1.250 1.418 1.438) 2.376 1.657 ( 1.129 -2.710 2.735) 4.013 1.728 ( 1.223 3.255 -2.207) 4.118 1.923 ( 2.391 -2.437 -5.172) 6.197 2.079 ( -0.549 8.299 0.874) 8.363 2.145 ( 2.895 7.420 -0.190) 7.967 2.303 ( -2.340 1.163 -3.283) 4.196 2.310 ( -2.894 2.036 -1.992) 4.060 2.402 ( -0.604 4.012 0.156) 4.060 2.577 ( -0.515 -6.984 -2.884) 7.573 2.632 ( 0.896 -3.404 2.884) 4.551 2.756 ( 0.985 -7.618 3.116) 8.290 3.023 ( -2.744 2.286 -2.030) 4.108 3.142 ( -1.785 -2.741 -3.360) 4.689 3.226 ( -2.935 -3.118 0.042) 4.282 3.257 ( -0.383 -2.204 3.922) 4.515 3.297 ( -0.723 -2.753 -0.600) 2.909 3.345 ( -0.738 -4.532 2.788) 5.372 4.155 ( 2.140 -2.301 1.649) 3.549 4.207 ( 3.054 -5.118 1.457) 6.135 4.295 ( 0.596 -0.491 -0.396) 0.867 4.315 ( 0.423 -1.417 0.033) 1.479 4.642 ( 1.198 2.610 -0.792) 2.979 4.672 ( 2.680 1.222 -1.212) 3.185 4.895 ( -2.311 7.722 -0.742) 8.094 5.032 ( -2.254 1.461 -2.766) 3.856 9.182 ( 0.866 1.238 -0.204) 1.524 9.220 ( 1.406 -0.420 -0.770) 1.657 9.332 ( -0.975 3.389 1.058) 3.681 9.404 ( -1.128 -0.060 -0.261) 1.160 10.458 ( 1.282 7.243 0.383) 7.365 10.501 ( 3.122 5.261 -0.304) 6.125 10.693 ( -1.540 7.609 1.775) 7.963 10.877 ( -2.889 -1.735 -1.025) 3.523 25.727 ( 0.187 12.813 0.243) 12.817 25.774 ( -0.256 10.357 -0.592) 10.377 25.830 ( -1.185 12.952 0.116) 13.007 25.834 ( -1.216 12.693 0.081) 12.752 26.845 ( 3.986 -1.631 0.099) 4.308 26.853 ( 4.300 -2.124 -0.027) 4.796 27.355 ( -3.365 -1.083 0.199) 3.541 27.362 ( -3.307 -1.406 0.110) 3.596 27.804 ( 3.724 3.901 0.288) 5.401 27.849 ( 5.627 1.745 -0.414) 5.906 28.349 ( -3.573 5.110 0.748) 6.280 28.447 ( -3.301 0.315 -0.715) 3.392 48.707 ( 0.134 -7.250 0.214) 7.255 48.732 ( 0.187 -8.280 -0.211) 8.284 48.748 ( -0.342 -6.679 0.411) 6.700 48.789 ( -0.471 -8.561 -0.238) 8.577 90.552 ( 2.424 6.686 0.394) 7.123 90.665 ( 3.690 2.200 -2.115) 4.788 90.986 ( -3.144 8.385 4.401) 9.978 91.377 ( -5.748 -11.294 -2.228) 12.867 93.871 ( 1.091 10.000 -0.365) 10.066 93.959 ( 1.665 7.954 -2.516) 8.507 94.101 ( -0.854 10.239 2.011) 10.470 94.377 ( -3.871 -0.148 -3.358) 5.126 ======================= Grid point 128 (51/112) ======================= q-point: ( 0.33 0.42 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 216 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.422 ( 1.023 5.847 -0.373) 5.947 1.484 ( 2.084 2.019 -1.211) 3.144 1.526 ( -1.877 1.173 -0.714) 2.325 1.656 ( -1.794 -3.274 -0.742) 3.806 1.806 ( 5.229 5.476 -2.022) 7.837 1.970 ( 0.743 2.865 -5.239) 6.018 2.063 ( -0.008 2.644 -0.506) 2.692 2.195 ( 1.756 8.633 -2.818) 9.249 2.213 ( -3.967 -0.700 -3.179) 5.132 2.317 ( 0.624 3.365 1.412) 3.702 2.387 ( 0.543 2.874 3.625) 4.658 2.540 ( -3.112 -3.463 1.515) 4.896 2.677 ( 3.862 -2.920 3.479) 5.962 2.810 ( 4.372 -8.878 2.251) 10.149 2.930 ( -5.939 1.086 0.834) 6.095 3.065 ( -5.649 -5.525 -0.074) 7.903 3.184 ( -0.390 -0.902 -2.260) 2.464 3.236 ( -1.765 -0.979 -0.378) 2.054 3.291 ( 0.405 -4.423 0.885) 4.529 3.327 ( -0.979 -5.191 2.061) 5.670 4.212 ( 3.056 -1.190 1.140) 3.472 4.273 ( 2.754 -4.103 0.898) 5.023 4.301 ( -0.388 -0.533 0.150) 0.676 4.322 ( 0.158 -1.578 0.326) 1.619 4.683 ( 2.607 3.645 -0.724) 4.540 4.750 ( 4.476 0.459 -1.688) 4.806 4.832 ( -3.357 6.207 -0.463) 7.072 4.964 ( -4.188 0.113 -2.331) 4.795 9.209 ( 1.635 2.145 -0.251) 2.709 9.254 ( 1.332 0.833 -1.304) 2.041 9.309 ( -0.837 1.749 1.083) 2.221 9.371 ( -1.971 -0.466 -0.336) 2.053 10.504 ( 2.918 8.000 0.698) 8.544 10.579 ( 3.897 4.954 -0.722) 6.345 10.650 ( -2.185 7.177 1.815) 7.719 10.795 ( -4.621 0.473 -0.652) 4.691 25.735 ( 0.676 12.889 0.175) 12.908 25.771 ( -0.061 11.391 -0.497) 11.402 25.796 ( -1.743 12.583 0.227) 12.705 25.806 ( -1.343 12.467 -0.030) 12.539 26.960 ( 6.631 -1.702 0.162) 6.848 26.974 ( 6.825 -2.657 -0.064) 7.324 27.254 ( -6.082 -1.395 0.235) 6.244 27.264 ( -5.841 -2.014 0.086) 6.179 27.920 ( 7.047 4.831 0.496) 8.559 28.000 ( 8.358 0.988 -0.767) 8.451 28.241 ( -6.474 5.181 0.841) 8.334 28.345 ( -6.401 0.173 -0.745) 6.446 48.712 ( 0.317 -7.037 0.189) 7.047 48.732 ( -0.404 -6.832 -0.065) 6.844 48.746 ( 0.354 -8.283 0.211) 8.294 48.775 ( -0.757 -8.607 -0.186) 8.642 90.626 ( 4.466 7.385 0.576) 8.650 90.763 ( 4.028 4.171 -2.987) 6.523 90.913 ( -1.975 3.492 4.321) 5.896 91.213 ( -9.375 -8.606 -1.670) 12.835 93.905 ( 2.092 11.313 -0.442) 11.513 93.984 ( -0.095 12.362 -2.873) 12.692 94.099 ( 1.523 5.448 2.048) 6.016 94.276 ( -5.314 2.173 -1.962) 6.068 ======================= Grid point 129 (52/112) ======================= q-point: (-0.50 0.42 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.456 ( -2.344 3.910 -1.485) 4.795 1.456 ( 2.344 3.910 -1.485) 4.795 1.581 ( -4.636 -1.097 -2.682) 5.467 1.581 ( 4.636 -1.097 -2.682) 5.467 1.916 ( -4.763 6.550 -3.025) 8.645 1.916 ( 4.763 6.550 -3.025) 8.645 2.118 ( -4.183 -1.505 -3.687) 5.775 2.118 ( 4.183 -1.505 -3.687) 5.775 2.267 ( -3.909 6.039 1.024) 7.267 2.267 ( 3.909 6.039 1.024) 7.267 2.457 ( -4.447 -0.195 4.221) 6.134 2.457 ( 4.447 -0.195 4.221) 6.134 2.792 ( -6.574 -0.816 2.740) 7.168 2.792 ( 6.574 -0.816 2.740) 7.168 2.931 ( -6.555 -8.088 1.338) 10.497 2.931 ( 6.555 -8.088 1.338) 10.497 3.199 ( -1.500 -0.273 -2.505) 2.932 3.199 ( 1.500 -0.273 -2.505) 2.932 3.306 ( -0.936 -5.149 1.643) 5.485 3.306 ( 0.936 -5.149 1.643) 5.485 4.271 ( -2.255 -0.546 0.650) 2.409 4.271 ( 2.255 -0.546 0.650) 2.409 4.315 ( -1.018 -2.660 0.580) 2.907 4.315 ( 1.018 -2.660 0.580) 2.907 4.748 ( -3.484 5.026 -0.819) 6.170 4.748 ( 3.484 5.026 -0.819) 6.170 4.863 ( -5.145 -0.520 -1.703) 5.444 4.863 ( 5.145 -0.520 -1.703) 5.444 9.246 ( -1.661 3.024 -0.524) 3.490 9.246 ( 1.661 3.024 -0.524) 3.490 9.326 ( -2.072 -0.861 -0.036) 2.244 9.326 ( 2.072 -0.861 -0.036) 2.244 10.572 ( -3.218 8.337 0.774) 8.970 10.572 ( 3.218 8.337 0.774) 8.970 10.693 ( -4.871 2.507 -0.131) 5.480 10.693 ( 4.871 2.507 -0.131) 5.480 25.757 ( -1.315 12.953 0.009) 13.020 25.757 ( 1.315 12.953 0.009) 13.020 25.783 ( -0.668 11.822 -0.067) 11.841 25.783 ( 0.668 11.822 -0.067) 11.841 27.106 ( -4.704 -1.496 -0.132) 4.938 27.106 ( 4.704 -1.496 -0.132) 4.938 27.129 ( -4.540 -2.738 0.352) 5.314 27.129 ( 4.540 -2.738 0.352) 5.314 28.081 ( -7.519 5.408 0.366) 9.269 28.081 ( 7.519 5.408 0.366) 9.269 28.188 ( -8.037 0.200 -0.472) 8.053 28.188 ( 8.037 0.200 -0.472) 8.053 48.721 ( -0.516 -6.762 0.142) 6.783 48.721 ( 0.516 -6.762 0.142) 6.783 48.759 ( -0.758 -8.615 -0.074) 8.649 48.759 ( 0.758 -8.615 -0.074) 8.649 90.730 ( -4.982 8.594 0.258) 9.937 90.730 ( 4.982 8.594 0.258) 9.937 91.011 ( -9.067 -5.234 -0.183) 10.471 91.011 ( 9.067 -5.234 -0.183) 10.471 93.953 ( -2.286 12.882 -1.123) 13.132 93.953 ( 2.286 12.882 -1.123) 13.132 94.169 ( -4.586 3.519 -0.258) 5.786 94.169 ( 4.586 3.519 -0.258) 5.786 ======================= Grid point 133 (53/112) ======================= q-point: ( 0.00 -0.50 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.508 ( 0.000 -3.062 1.478) 3.400 1.508 ( 0.000 3.062 1.478) 3.400 1.560 ( 0.000 -5.051 3.194) 5.976 1.560 ( 0.000 5.051 3.194) 5.976 1.802 ( 0.000 -5.378 -3.320) 6.320 1.802 ( 0.000 5.378 -3.320) 6.320 2.201 ( 0.000 -1.068 2.007) 2.274 2.201 ( 0.000 1.068 2.007) 2.274 2.362 ( 0.000 -2.181 -2.172) 3.078 2.362 ( 0.000 2.181 -2.172) 3.078 2.449 ( 0.000 -0.673 -4.995) 5.040 2.449 ( 0.000 0.673 -4.995) 5.040 2.624 ( 0.000 -4.368 3.889) 5.848 2.624 ( 0.000 4.368 3.889) 5.848 3.103 ( 0.000 -2.759 -4.681) 5.433 3.103 ( 0.000 2.759 -4.681) 5.433 3.228 ( 0.000 -1.888 0.992) 2.133 3.228 ( 0.000 1.888 0.992) 2.133 3.307 ( 0.000 -1.665 3.906) 4.246 3.307 ( 0.000 1.665 3.906) 4.246 4.108 ( 0.000 -0.775 2.038) 2.181 4.108 ( 0.000 0.775 2.038) 2.181 4.289 ( 0.000 -0.549 -0.770) 0.945 4.289 ( 0.000 0.549 -0.770) 0.945 4.654 ( 0.000 -0.332 -0.961) 1.017 4.654 ( 0.000 0.332 -0.961) 1.017 5.039 ( 0.000 -3.594 -2.125) 4.175 5.039 ( 0.000 3.594 -2.125) 4.175 9.192 ( 0.000 -0.853 -0.019) 0.853 9.192 ( 0.000 0.853 -0.019) 0.853 9.401 ( 0.000 -1.854 0.251) 1.871 9.401 ( 0.000 1.854 0.251) 1.871 10.518 ( 0.000 -0.115 0.007) 0.115 10.518 ( 0.000 0.115 0.007) 0.115 10.833 ( 0.000 -4.839 0.364) 4.852 10.833 ( 0.000 4.839 0.364) 4.852 25.869 ( 0.000 -1.245 -0.056) 1.246 25.869 ( 0.000 1.245 -0.056) 1.246 25.979 ( 0.000 -0.101 0.031) 0.106 25.979 ( 0.000 0.101 0.031) 0.106 26.786 ( 0.000 -0.138 0.049) 0.147 26.786 ( 0.000 0.138 0.049) 0.147 27.382 ( 0.000 -0.160 0.150) 0.219 27.382 ( 0.000 0.160 0.150) 0.219 27.805 ( 0.000 -0.299 0.028) 0.300 27.805 ( 0.000 0.299 0.028) 0.300 28.462 ( 0.000 -2.397 -0.048) 2.397 28.462 ( 0.000 2.397 -0.048) 2.397 48.636 ( 0.000 -0.606 0.033) 0.607 48.636 ( 0.000 0.606 0.033) 0.607 48.696 ( 0.000 -1.017 0.037) 1.018 48.696 ( 0.000 1.017 0.037) 1.018 90.618 ( 0.000 -2.697 -0.138) 2.701 90.618 ( 0.000 2.697 -0.138) 2.701 91.212 ( 0.000 -10.299 0.557) 10.314 91.212 ( 0.000 10.299 0.557) 10.314 93.982 ( 0.000 -2.213 0.018) 2.213 93.982 ( 0.000 2.213 0.018) 2.213 94.322 ( 0.000 -8.218 -1.946) 8.445 94.322 ( 0.000 8.218 -1.946) 8.445 ======================= Grid point 135 (54/112) ======================= q-point: ( 0.17 -0.50 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.494 ( -0.577 -2.052 0.148) 2.137 1.494 ( -0.577 2.052 0.148) 2.137 1.580 ( 0.884 -3.995 3.262) 5.233 1.580 ( 0.884 3.995 3.262) 5.233 1.831 ( 2.861 -5.922 -3.772) 7.582 1.831 ( 2.861 5.922 -3.772) 7.582 2.212 ( 0.061 -3.401 0.653) 3.464 2.212 ( 0.061 3.401 0.653) 3.464 2.342 ( -1.253 -4.120 -2.329) 4.896 2.342 ( -1.253 4.120 -2.329) 4.896 2.446 ( -0.168 -3.625 -3.456) 5.011 2.446 ( -0.168 3.625 -3.456) 5.011 2.623 ( 0.346 -4.197 4.789) 6.377 2.623 ( 0.346 4.197 4.789) 6.377 3.079 ( -2.879 -3.057 -2.431) 4.852 3.079 ( -2.879 3.057 -2.431) 4.852 3.211 ( -0.946 -1.626 0.305) 1.906 3.211 ( -0.946 1.626 0.305) 1.906 3.291 ( -1.326 -1.404 2.612) 3.249 3.291 ( -1.326 1.404 2.612) 3.249 4.143 ( 3.011 -1.259 1.726) 3.692 4.143 ( 3.011 1.259 1.726) 3.692 4.296 ( 0.544 -0.511 -0.505) 0.901 4.296 ( 0.544 0.511 -0.505) 0.901 4.675 ( 1.928 -0.750 -0.994) 2.295 4.675 ( 1.928 0.750 -0.994) 2.295 5.008 ( -2.826 -3.594 -1.978) 4.982 5.008 ( -2.826 3.595 -1.978) 4.982 9.207 ( 1.367 -1.014 -0.093) 1.704 9.207 ( 1.367 1.014 -0.093) 1.704 9.388 ( -1.255 -1.826 0.150) 2.221 9.388 ( -1.255 1.826 0.150) 2.221 10.543 ( 2.228 -1.089 0.066) 2.481 10.543 ( 2.228 1.089 0.066) 2.481 10.814 ( -1.751 -4.511 0.371) 4.853 10.814 ( -1.751 4.511 0.371) 4.853 25.870 ( 0.176 -1.160 -0.053) 1.175 25.870 ( 0.176 1.160 -0.053) 1.175 25.965 ( -1.282 -0.102 0.022) 1.286 25.965 ( -1.282 0.102 0.022) 1.286 26.829 ( 3.962 -0.175 0.060) 3.966 26.829 ( 3.962 0.175 0.060) 3.966 27.345 ( -3.511 -0.155 0.154) 3.518 27.345 ( -3.511 0.155 0.154) 3.518 27.856 ( 4.707 -1.150 0.017) 4.845 27.856 ( 4.707 1.150 0.017) 4.845 28.426 ( -3.440 -2.479 -0.048) 4.241 28.426 ( -3.440 2.479 -0.048) 4.241 48.639 ( 0.250 -0.648 0.030) 0.695 48.639 ( 0.250 0.648 0.030) 0.695 48.691 ( -0.492 -1.013 0.033) 1.127 48.691 ( -0.492 1.013 0.033) 1.127 90.650 ( 3.022 -3.099 -0.108) 4.330 90.650 ( 3.022 3.099 -0.108) 4.330 91.165 ( -4.360 -9.720 0.471) 10.664 91.165 ( -4.360 9.720 0.471) 10.664 94.004 ( 2.091 -2.713 -0.053) 3.426 94.004 ( 2.091 2.713 -0.053) 3.426 94.296 ( -2.327 -7.614 -1.711) 8.144 94.296 ( -2.327 7.614 -1.711) 8.144 ======================= Grid point 137 (55/112) ======================= q-point: ( 0.33 -0.50 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.497 ( 0.934 -1.152 -1.487) 2.100 1.497 ( 0.934 1.152 -1.487) 2.100 1.574 ( -1.469 -4.092 0.947) 4.449 1.574 ( -1.469 4.092 0.947) 4.449 1.920 ( 5.372 -5.292 -3.629) 8.368 1.920 ( 5.372 5.292 -3.629) 8.368 2.160 ( -4.784 -4.480 -2.705) 7.090 2.160 ( -4.784 4.480 -2.705) 7.090 2.347 ( 1.720 -4.863 0.011) 5.158 2.347 ( 1.720 4.863 0.011) 5.158 2.437 ( -1.127 -5.380 -0.769) 5.550 2.437 ( -1.127 5.380 -0.769) 5.550 2.669 ( 4.616 -3.623 5.197) 7.838 2.669 ( 4.616 3.623 5.197) 7.838 2.971 ( -7.024 -3.157 1.602) 7.866 2.971 ( -7.024 3.157 1.602) 7.866 3.208 ( 0.524 -2.498 -1.219) 2.829 3.208 ( 0.524 2.498 -1.219) 2.829 3.259 ( -1.625 -1.702 0.671) 2.447 3.259 ( -1.625 1.702 0.671) 2.447 4.216 ( 3.526 -1.541 1.137) 4.013 4.216 ( 3.526 1.541 1.137) 4.013 4.301 ( -0.277 -0.487 0.066) 0.564 4.301 ( -0.277 0.487 0.066) 0.564 4.735 ( 3.739 -1.701 -1.101) 4.252 4.735 ( 3.739 1.701 -1.101) 4.252 4.928 ( -4.600 -3.420 -1.637) 5.961 4.928 ( -4.600 3.420 -1.637) 5.961 9.247 ( 2.312 -1.312 -0.218) 2.667 9.247 ( 2.312 1.312 -0.218) 2.667 9.351 ( -2.199 -1.734 -0.067) 2.801 9.351 ( -2.199 1.734 -0.067) 2.801 10.606 ( 3.632 -2.031 0.195) 4.166 10.606 ( 3.632 2.031 0.195) 4.166 10.762 ( -3.153 -3.739 0.367) 4.905 10.762 ( -3.153 3.739 0.367) 4.905 25.878 ( 0.614 -0.937 -0.042) 1.121 25.878 ( 0.614 0.937 -0.042) 1.121 25.931 ( -1.743 -0.309 0.001) 1.770 25.931 ( -1.743 0.309 0.001) 1.770 26.943 ( 6.665 -0.294 0.091) 6.672 26.943 ( 6.665 0.294 0.091) 6.672 27.240 ( -6.221 -0.202 0.152) 6.226 27.240 ( -6.221 0.202 0.152) 6.226 27.990 ( 7.773 -2.034 -0.007) 8.035 27.990 ( 7.773 2.034 -0.007) 8.035 28.321 ( -6.484 -2.608 -0.043) 6.988 28.321 ( -6.484 2.608 -0.043) 6.988 48.647 ( 0.522 -0.761 0.025) 0.923 48.647 ( 0.522 0.761 0.025) 0.923 48.677 ( -0.765 -0.981 0.026) 1.244 48.677 ( -0.765 0.981 0.026) 1.244 90.743 ( 5.758 -4.289 -0.026) 7.180 90.743 ( 5.758 4.289 -0.026) 7.180 91.041 ( -7.112 -8.153 0.283) 10.823 91.041 ( -7.112 8.153 0.283) 10.823 94.065 ( 3.546 -3.737 -0.267) 5.158 94.065 ( 3.546 3.737 -0.267) 5.158 94.231 ( -3.751 -6.275 -1.175) 7.405 94.231 ( -3.751 6.275 -1.175) 7.405 ======================= Grid point 139 (56/112) ======================= q-point: (-0.50 -0.50 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.532 ( -1.842 -3.338 -1.413) 4.066 1.532 ( 1.182 -3.262 -1.413) 3.747 1.532 ( -1.182 3.262 -1.413) 3.747 1.532 ( 1.842 3.338 -1.413) 4.066 2.042 ( -5.569 -5.347 -3.412) 8.441 2.042 ( 2.749 -4.768 -3.412) 6.476 2.042 ( -2.749 4.768 -3.412) 6.476 2.042 ( 5.569 5.347 -3.412) 8.441 2.395 ( -2.426 -5.669 0.895) 6.231 2.395 ( 2.310 -5.657 0.895) 6.176 2.395 ( -2.310 5.657 0.895) 6.176 2.395 ( 2.426 5.669 0.895) 6.231 2.808 ( -7.922 -3.266 3.674) 9.324 2.808 ( -7.911 3.259 3.674) 9.311 2.808 ( 7.911 -3.259 3.674) 9.311 2.808 ( 7.922 3.266 3.674) 9.324 3.227 ( -1.138 -2.751 -0.749) 3.071 3.227 ( 0.956 -2.734 -0.749) 2.992 3.227 ( -0.956 2.734 -0.749) 2.992 3.227 ( 1.138 2.751 -0.749) 3.071 4.277 ( -2.088 -1.118 0.610) 2.446 4.277 ( 0.315 -0.431 0.610) 0.810 4.277 ( -0.315 0.431 0.610) 0.810 4.277 ( 2.088 1.118 0.610) 2.446 4.826 ( -4.775 -2.887 -1.308) 5.731 4.826 ( 1.693 -1.832 -1.308) 2.816 4.826 ( -1.693 1.832 -1.308) 2.816 4.826 ( 4.775 2.887 -1.308) 5.731 9.299 ( -2.353 -1.980 -0.227) 3.084 9.299 ( 0.510 -1.613 -0.227) 1.707 9.299 ( -0.510 1.613 -0.227) 1.707 9.299 ( 2.353 1.980 -0.227) 3.084 10.687 ( -3.792 -3.046 0.311) 4.874 10.687 ( 2.537 -2.701 0.311) 3.719 10.687 ( -2.537 2.701 0.311) 3.719 10.687 ( 3.792 3.046 0.311) 4.874 25.898 ( -1.274 -0.691 -0.024) 1.450 25.898 ( -0.111 -0.274 -0.024) 0.296 25.898 ( 0.111 0.274 -0.024) 0.296 25.898 ( 1.274 0.691 -0.024) 1.450 27.094 ( -7.375 -0.348 0.129) 7.384 27.094 ( -7.357 0.234 0.129) 7.362 27.094 ( 7.357 -0.234 0.129) 7.362 27.094 ( 7.375 0.348 0.129) 7.384 28.163 ( -8.187 -2.634 -0.029) 8.601 28.163 ( -7.126 1.695 -0.029) 7.325 28.163 ( 7.126 -1.695 -0.029) 7.325 28.163 ( 8.187 2.634 -0.029) 8.601 48.661 ( -0.715 -0.957 0.022) 1.195 48.661 ( 0.610 -0.939 0.022) 1.120 48.661 ( -0.610 0.939 0.022) 1.120 48.661 ( 0.715 0.957 0.022) 1.195 90.884 ( -7.021 -6.943 0.103) 9.875 90.884 ( 4.204 -6.348 0.103) 7.614 90.884 ( -4.204 6.348 0.103) 7.614 90.884 ( 7.021 6.943 0.103) 9.875 94.147 ( -3.786 -5.679 -0.643) 6.856 94.147 ( 2.861 -5.542 -0.643) 6.270 94.147 ( -2.861 5.542 -0.643) 6.270 94.147 ( 3.786 5.679 -0.643) 6.856 ======================= Grid point 182 (57/112) ======================= q-point: ( 0.00 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 112 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.678 ( 0.000 0.000 14.329) 14.329 0.681 ( 0.000 0.000 15.563) 15.563 0.974 ( 0.000 0.000 6.253) 6.253 1.179 ( 0.000 0.000 -9.148) 9.148 1.248 ( 0.000 0.000 5.624) 5.624 1.347 ( 0.000 0.000 6.326) 6.326 1.476 ( 0.000 0.000 -4.971) 4.971 1.551 ( 0.000 0.000 -5.217) 5.217 1.709 ( 0.000 0.000 11.228) 11.228 2.327 ( 0.000 0.000 -5.984) 5.984 2.450 ( 0.000 0.000 14.635) 14.635 2.777 ( 0.000 0.000 1.346) 1.346 2.777 ( 0.000 0.000 2.970) 2.970 2.804 ( 0.000 0.000 -1.920) 1.920 2.880 ( 0.000 0.000 -13.085) 13.085 2.924 ( 0.000 0.000 0.010) 0.010 3.043 ( 0.000 0.000 -3.888) 3.888 3.105 ( 0.000 0.000 -13.277) 13.277 3.210 ( 0.000 0.000 0.936) 0.936 3.289 ( 0.000 0.000 -1.566) 1.566 4.028 ( 0.000 0.000 7.272) 7.272 4.098 ( 0.000 0.000 2.655) 2.655 4.341 ( 0.000 0.000 -2.566) 2.566 4.407 ( 0.000 0.000 -4.795) 4.795 4.614 ( 0.000 0.000 5.574) 5.574 4.872 ( 0.000 0.000 -6.112) 6.112 5.260 ( 0.000 0.000 14.559) 14.559 5.781 ( 0.000 0.000 -10.452) 10.452 9.002 ( 0.000 0.000 1.551) 1.551 9.069 ( 0.000 0.000 -1.475) 1.475 9.128 ( 0.000 0.000 0.224) 0.224 9.140 ( 0.000 0.000 -0.311) 0.311 9.545 ( 0.000 0.000 2.974) 2.974 9.670 ( 0.000 0.000 -2.878) 2.878 9.940 ( 0.000 0.000 1.963) 1.963 10.010 ( 0.000 0.000 -1.211) 1.211 23.903 ( 0.000 0.000 0.344) 0.344 23.919 ( 0.000 0.000 -0.455) 0.455 23.996 ( 0.000 0.000 1.459) 1.459 24.054 ( 0.000 0.000 -1.286) 1.286 27.000 ( 0.000 0.000 0.210) 0.210 27.006 ( 0.000 0.000 -0.076) 0.076 27.235 ( 0.000 0.000 1.005) 1.005 27.284 ( 0.000 0.000 -1.320) 1.320 27.460 ( 0.000 0.000 1.013) 1.013 27.497 ( 0.000 0.000 -0.726) 0.726 28.017 ( 0.000 0.000 5.592) 5.592 28.277 ( 0.000 0.000 -6.380) 6.380 49.703 ( 0.000 0.000 1.437) 1.437 49.779 ( 0.000 0.000 -2.230) 2.230 49.929 ( 0.000 0.000 0.535) 0.535 49.936 ( 0.000 0.000 0.408) 0.408 89.319 ( 0.000 0.000 0.179) 0.179 89.327 ( 0.000 0.000 -0.180) 0.180 89.329 ( 0.000 0.000 0.081) 0.081 89.333 ( 0.000 0.000 -0.080) 0.080 93.162 ( 0.000 0.000 0.860) 0.860 93.185 ( 0.000 0.000 -0.246) 0.246 94.084 ( 0.000 0.000 2.911) 2.911 94.209 ( 0.000 0.000 -2.843) 2.843 ======================= Grid point 183 (58/112) ======================= q-point: ( 0.17 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.707 ( 3.719 0.000 14.120) 14.602 0.736 ( 4.879 0.000 13.975) 14.803 1.055 ( 5.728 0.000 0.555) 5.755 1.186 ( -0.284 0.000 -4.114) 4.124 1.235 ( -0.265 0.000 1.289) 1.316 1.387 ( 4.158 0.000 4.333) 6.005 1.460 ( -1.582 0.000 -5.153) 5.391 1.499 ( -3.947 0.000 -4.743) 6.171 1.803 ( 7.099 0.000 9.955) 12.227 2.156 ( -9.452 0.000 3.355) 10.030 2.490 ( -1.566 0.000 -1.052) 1.887 2.696 ( -9.023 0.000 -7.810) 11.933 2.776 ( 0.200 0.000 2.224) 2.233 2.786 ( 0.489 0.000 2.498) 2.546 2.927 ( 2.952 0.000 -4.320) 5.233 2.934 ( 0.881 0.000 -0.524) 1.025 3.037 ( -0.527 0.000 -3.767) 3.804 3.089 ( -1.005 0.000 -5.778) 5.865 3.258 ( 4.600 0.000 0.288) 4.609 3.355 ( 4.547 0.000 -1.338) 4.740 4.003 ( -0.040 0.000 5.922) 5.922 4.149 ( 3.007 0.000 0.674) 3.082 4.301 ( -1.034 0.000 1.462) 1.791 4.472 ( 2.738 0.000 -3.174) 4.192 4.624 ( 1.117 0.000 6.665) 6.758 4.961 ( 7.617 0.000 -8.601) 11.489 5.181 ( -7.208 0.000 13.554) 15.351 5.705 ( -6.386 0.000 -12.275) 13.836 9.008 ( 0.537 0.000 1.465) 1.561 9.068 ( -0.110 0.000 -1.180) 1.186 9.124 ( -0.265 0.000 0.143) 0.301 9.139 ( -0.121 0.000 -0.434) 0.450 9.548 ( 0.346 0.000 2.787) 2.808 9.661 ( -1.081 0.000 -2.279) 2.522 9.888 ( -2.793 0.000 4.480) 5.279 10.005 ( -1.285 0.000 -1.844) 2.248 23.906 ( 0.293 0.000 0.418) 0.510 23.925 ( 0.511 0.000 -0.516) 0.726 23.992 ( -0.319 0.000 1.395) 1.431 24.048 ( -0.607 0.000 -1.239) 1.380 27.097 ( 8.950 0.000 1.827) 9.134 27.248 ( 1.208 0.000 0.977) 1.554 27.271 ( 20.027 0.000 -9.314) 22.087 27.296 ( 1.111 0.000 -1.331) 1.734 27.447 ( -1.206 0.000 1.077) 1.617 27.485 ( -1.110 0.000 -0.747) 1.338 27.968 ( -4.588 0.000 5.746) 7.353 28.239 ( -3.489 0.000 -6.652) 7.511 49.701 ( -0.134 0.000 1.274) 1.281 49.766 ( -1.175 0.000 -1.732) 2.093 49.912 ( -1.072 0.000 1.445) 1.799 49.930 ( -0.526 0.000 0.343) 0.628 89.317 ( -0.147 0.000 0.214) 0.260 89.326 ( -0.085 0.000 -0.164) 0.185 89.330 ( -0.037 0.000 -0.020) 0.042 89.330 ( -0.070 0.000 -0.030) 0.076 93.188 ( 2.751 0.000 1.579) 3.172 93.237 ( 4.520 0.000 -0.670) 4.569 93.998 ( -12.697 0.000 3.914) 13.287 94.014 ( -9.660 0.000 2.448) 9.965 ======================= Grid point 184 (59/112) ======================= q-point: ( 0.33 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.848 ( 9.226 0.000 8.768) 12.727 0.865 ( 6.915 0.000 10.934) 12.937 1.127 ( -4.646 0.000 5.753) 7.395 1.147 ( 1.796 0.000 0.816) 1.973 1.272 ( 3.081 0.000 -6.680) 7.356 1.395 ( -4.469 0.000 -7.089) 8.380 1.412 ( -2.867 0.000 -5.674) 6.357 1.473 ( 0.756 0.000 -5.339) 5.392 1.948 ( 6.486 0.000 8.939) 11.045 2.075 ( 3.567 0.000 2.275) 4.231 2.396 ( -6.086 0.000 -4.804) 7.753 2.471 ( -11.547 0.000 -6.969) 13.487 2.784 ( 0.469 0.000 2.587) 2.629 2.794 ( 0.182 0.000 2.897) 2.903 2.959 ( 1.492 0.000 -1.676) 2.244 2.961 ( 0.688 0.000 1.500) 1.650 3.020 ( -1.101 0.000 -3.391) 3.565 3.053 ( -2.796 0.000 1.974) 3.423 3.365 ( 4.583 0.000 -1.392) 4.790 3.437 ( 2.558 0.000 -0.188) 2.565 4.065 ( 5.435 0.000 4.923) 7.333 4.209 ( 2.597 0.000 -1.897) 3.216 4.306 ( 1.309 0.000 6.753) 6.879 4.480 ( -1.924 0.000 1.178) 2.256 4.669 ( 3.436 0.000 7.769) 8.495 4.985 ( -10.565 0.000 11.209) 15.404 5.152 ( 9.927 0.000 -12.770) 16.174 5.546 ( -8.400 0.000 -15.550) 17.674 9.024 ( 0.914 0.000 1.191) 1.501 9.061 ( -0.595 0.000 -0.261) 0.650 9.121 ( 0.061 0.000 -0.301) 0.307 9.134 ( -0.339 0.000 -0.624) 0.710 9.561 ( 0.913 0.000 2.258) 2.435 9.626 ( -1.974 0.000 -0.110) 1.977 9.866 ( 0.662 0.000 3.251) 3.318 9.959 ( -2.737 0.000 -1.109) 2.953 23.915 ( 0.570 0.000 0.550) 0.792 23.934 ( 0.146 0.000 -0.228) 0.271 23.989 ( 0.255 0.000 0.753) 0.795 24.030 ( -1.094 0.000 -1.025) 1.499 27.283 ( 1.997 0.000 0.826) 2.161 27.324 ( 1.216 0.000 -1.198) 1.706 27.336 ( 12.865 0.000 4.528) 13.639 27.417 ( -1.344 0.000 1.061) 1.712 27.453 ( -1.864 0.000 -0.707) 1.993 27.670 ( 15.973 0.000 -13.213) 20.730 27.829 ( -8.184 0.000 5.655) 9.947 28.134 ( -6.576 0.000 -8.123) 10.451 49.702 ( 0.257 0.000 0.712) 0.757 49.738 ( -1.339 0.000 -0.860) 1.592 49.899 ( -0.162 0.000 1.503) 1.512 49.917 ( -0.725 0.000 0.507) 0.884 89.315 ( -0.035 0.000 0.218) 0.221 89.322 ( -0.286 0.000 -0.044) 0.290 89.329 ( 0.010 0.000 -0.053) 0.054 89.331 ( -0.028 0.000 -0.122) 0.125 93.274 ( 5.221 0.000 3.118) 6.081 93.357 ( 6.119 0.000 -0.526) 6.142 93.705 ( -11.026 0.000 7.361) 13.257 93.827 ( -9.772 0.000 -0.191) 9.774 ======================= Grid point 185 (60/112) ======================= q-point: (-0.50 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.008 ( -6.502 0.000 8.247) 10.502 1.008 ( 6.502 0.000 8.247) 10.502 1.057 ( -9.363 0.000 5.179) 10.700 1.057 ( 9.363 0.000 5.179) 10.700 1.344 ( -3.510 0.000 -6.410) 7.308 1.344 ( 3.510 0.000 -6.410) 7.308 1.405 ( -4.790 0.000 -9.188) 10.362 1.405 ( 4.790 0.000 -9.188) 10.362 2.122 ( -6.776 0.000 -0.573) 6.800 2.122 ( 6.776 0.000 -0.573) 6.800 2.295 ( -2.692 0.000 -1.068) 2.897 2.295 ( 2.692 0.000 -1.068) 2.897 2.793 ( -0.286 0.000 2.915) 2.929 2.793 ( 0.286 0.000 2.915) 2.929 2.989 ( -2.474 0.000 4.390) 5.039 2.989 ( 2.474 0.000 4.390) 5.039 2.992 ( -1.535 0.000 -2.710) 3.115 2.992 ( 1.535 0.000 -2.710) 3.115 3.439 ( -2.213 0.000 -1.937) 2.941 3.439 ( 2.213 0.000 -1.937) 2.941 4.184 ( -4.751 0.000 4.513) 6.553 4.184 ( 4.751 0.000 4.513) 6.553 4.395 ( -5.793 0.000 2.950) 6.501 4.395 ( 5.793 0.000 2.950) 6.501 4.783 ( -7.754 0.000 9.192) 12.026 4.783 ( 7.754 0.000 9.192) 12.026 5.358 ( -9.474 0.000 -15.791) 18.415 5.358 ( 9.474 0.000 -15.791) 18.415 9.044 ( -0.974 0.000 0.655) 1.174 9.044 ( 0.974 0.000 0.655) 1.174 9.126 ( -0.376 0.000 -0.650) 0.750 9.126 ( 0.376 0.000 -0.650) 0.750 9.587 ( -1.587 0.000 1.415) 2.126 9.587 ( 1.587 0.000 1.415) 2.126 9.902 ( -2.463 0.000 0.695) 2.559 9.902 ( 2.463 0.000 0.695) 2.559 23.928 ( -0.597 0.000 0.461) 0.754 23.928 ( 0.597 0.000 0.461) 0.754 24.005 ( -1.144 0.000 -0.438) 1.225 24.005 ( 1.144 0.000 -0.438) 1.225 27.323 ( -1.491 0.000 0.146) 1.498 27.323 ( 1.491 0.000 0.146) 1.498 27.415 ( -1.357 0.000 -0.153) 1.365 27.415 ( 1.357 0.000 -0.153) 1.365 27.602 ( -11.937 0.000 5.871) 13.303 27.602 ( 11.937 0.000 5.871) 13.303 27.958 ( -10.489 0.000 -10.959) 15.170 27.958 ( 10.489 0.000 -10.959) 15.170 49.714 ( -0.887 0.000 -0.078) 0.890 49.714 ( 0.887 0.000 -0.078) 0.890 49.903 ( -0.504 0.000 0.960) 1.084 49.903 ( 0.504 0.000 0.960) 1.084 89.316 ( -0.184 0.000 0.128) 0.224 89.316 ( 0.184 0.000 0.128) 0.224 89.330 ( -0.066 0.000 -0.128) 0.144 89.330 ( 0.066 0.000 -0.128) 0.144 93.391 ( -4.609 0.000 4.157) 6.207 93.391 ( 4.609 0.000 4.157) 6.207 93.641 ( -6.138 0.000 0.341) 6.147 93.641 ( 6.138 0.000 0.341) 6.147 ======================= Grid point 189 (61/112) ======================= q-point: ( 0.00 0.08 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.721 ( 0.000 4.406 12.926) 13.656 0.851 ( 0.000 13.013 12.300) 17.906 1.035 ( 0.000 6.128 1.557) 6.323 1.280 ( 0.000 8.669 -8.479) 12.126 1.387 ( 0.000 10.707 3.873) 11.386 1.408 ( 0.000 6.768 6.535) 9.408 1.466 ( 0.000 1.565 -2.969) 3.356 1.676 ( 0.000 9.067 -3.775) 9.821 1.769 ( 0.000 6.697 10.210) 12.211 2.244 ( 0.000 -5.690 -4.682) 7.368 2.395 ( 0.000 -3.850 14.167) 14.681 2.754 ( 0.000 -1.548 -3.631) 3.948 2.777 ( 0.000 -3.164 -5.167) 6.059 2.866 ( 0.000 1.768 -4.713) 5.034 3.017 ( 0.000 13.223 -0.967) 13.258 3.093 ( 0.000 8.986 -6.213) 10.924 3.141 ( 0.000 9.379 -3.533) 10.023 3.167 ( 0.000 6.507 -7.169) 9.682 3.221 ( 0.000 4.346 0.893) 4.437 3.311 ( 0.000 3.773 -2.292) 4.415 4.047 ( 0.000 2.367 6.926) 7.320 4.111 ( 0.000 1.550 2.404) 2.861 4.337 ( 0.000 -0.290 -2.109) 2.129 4.411 ( 0.000 0.499 -4.451) 4.479 4.590 ( 0.000 -2.411 5.211) 5.741 4.828 ( 0.000 -4.364 -5.616) 7.112 5.089 ( 0.000 -15.069 11.122) 18.729 5.331 ( 0.000 -31.701 3.480) 31.891 9.111 ( 0.000 7.591 -0.439) 7.604 9.116 ( 0.000 3.770 -1.023) 3.906 9.286 ( 0.000 14.219 3.380) 14.615 9.459 ( 0.000 14.759 -4.231) 15.354 9.514 ( 0.000 0.433 1.622) 1.679 9.627 ( 0.000 -3.930 -2.778) 4.812 10.018 ( 0.000 1.718 0.139) 1.724 10.110 ( 0.000 17.938 -8.365) 19.792 24.064 ( 0.000 13.840 0.145) 13.841 24.119 ( 0.000 17.637 -3.682) 18.017 24.136 ( 0.000 13.609 1.452) 13.686 24.198 ( 0.000 14.740 -1.844) 14.855 26.974 ( 0.000 -1.997 0.147) 2.002 26.981 ( 0.000 -2.116 -0.132) 2.120 27.307 ( 0.000 6.117 -0.257) 6.123 27.332 ( 0.000 4.309 -1.021) 4.428 27.460 ( 0.000 -0.074 0.853) 0.856 27.489 ( 0.000 -0.738 -0.574) 0.935 28.038 ( 0.000 2.144 5.347) 5.761 28.272 ( 0.000 0.014 -4.986) 4.986 49.637 ( 0.000 -6.505 1.381) 6.650 49.709 ( 0.000 -6.878 -2.093) 7.189 49.818 ( 0.000 -10.080 1.985) 10.274 49.851 ( 0.000 -8.216 0.091) 8.216 89.439 ( 0.000 11.427 0.408) 11.435 89.461 ( 0.000 12.680 -0.676) 12.698 89.585 ( 0.000 23.474 4.281) 23.861 90.046 ( 0.000 56.344 -26.940) 62.453 93.185 ( 0.000 2.395 0.769) 2.515 93.204 ( 0.000 1.701 -0.103) 1.704 94.026 ( 0.000 -5.178 2.516) 5.757 94.121 ( 0.000 -7.023 -1.205) 7.126 ======================= Grid point 190 (62/112) ======================= q-point: ( 0.17 0.08 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 216 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.758 ( 3.710 5.062 12.240) 13.755 0.902 ( 4.358 12.800 10.182) 16.927 1.089 ( 4.034 4.142 -1.000) 5.868 1.296 ( 0.693 8.107 -7.143) 10.827 1.358 ( -1.611 9.770 2.224) 10.148 1.415 ( 1.673 3.850 0.704) 4.257 1.486 ( 0.152 6.122 0.174) 6.127 1.635 ( -3.033 9.647 -3.200) 10.607 1.823 ( 4.104 2.329 9.786) 10.865 2.116 ( -6.377 -2.215 2.562) 7.220 2.438 ( -0.017 -4.012 0.903) 4.113 2.614 ( -9.357 -3.533 -7.658) 12.597 2.831 ( 3.353 -0.722 0.107) 3.431 2.924 ( 2.557 3.500 -1.148) 4.484 3.001 ( -1.178 12.983 0.046) 13.037 3.100 ( -2.407 9.538 -3.813) 10.550 3.129 ( 1.696 6.290 -3.935) 7.611 3.152 ( -2.058 13.001 -3.838) 13.711 3.249 ( 3.836 -0.494 -0.073) 3.869 3.352 ( 3.161 0.474 -1.580) 3.566 4.024 ( -0.048 2.512 5.793) 6.315 4.161 ( 3.097 1.526 0.761) 3.536 4.309 ( -0.702 0.901 1.204) 1.660 4.464 ( 2.280 -0.607 -2.713) 3.596 4.596 ( 0.810 -2.684 6.099) 6.712 4.902 ( 6.321 -5.680 -7.773) 11.517 5.028 ( -5.547 -13.470 10.630) 18.034 5.331 ( -0.286 -27.824 -2.416) 27.930 9.113 ( 0.216 7.320 -0.480) 7.339 9.118 ( 0.208 4.034 -1.034) 4.170 9.286 ( 0.117 14.416 3.074) 14.741 9.437 ( -2.007 15.809 -3.963) 16.421 9.521 ( 0.666 0.199 1.634) 1.776 9.630 ( 0.067 -2.284 -2.940) 3.724 9.975 ( -4.582 6.747 0.497) 8.171 10.026 ( -5.076 7.577 -2.626) 9.491 24.067 ( 0.282 13.621 -0.036) 13.624 24.101 ( -1.344 16.982 -2.274) 17.187 24.132 ( -0.288 13.618 1.379) 13.690 24.187 ( -0.905 13.839 -1.221) 13.922 27.058 ( 7.201 -3.035 1.230) 7.911 27.146 ( 10.672 -5.726 -3.177) 12.521 27.331 ( 2.106 5.109 0.082) 5.526 27.391 ( 5.230 4.461 -3.105) 7.543 27.458 ( 1.984 1.632 -0.407) 2.601 27.478 ( -1.000 -0.678 -0.569) 1.335 27.991 ( -4.499 2.248 5.505) 7.456 28.237 ( -3.339 0.151 -5.451) 6.395 49.635 ( -0.149 -6.519 1.213) 6.632 49.695 ( -1.179 -6.914 -1.542) 7.182 49.813 ( -0.250 -9.213 1.906) 9.411 49.846 ( -0.441 -8.142 0.117) 8.155 89.443 ( 0.409 11.909 0.546) 11.928 89.471 ( 0.898 13.436 -0.754) 13.487 89.573 ( -1.006 22.768 3.662) 23.082 89.937 ( -8.842 49.868 -19.231) 54.174 93.212 ( 2.760 2.383 1.412) 3.911 93.254 ( 4.465 1.502 -0.536) 4.741 93.941 ( -12.973 -4.589 4.313) 14.421 93.958 ( -7.235 -4.772 1.709) 8.833 ======================= Grid point 191 (63/112) ======================= q-point: ( 0.33 0.08 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 216 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.880 ( 7.825 3.650 7.616) 11.514 1.015 ( 6.053 11.945 7.813) 15.504 1.149 ( 0.444 1.903 0.205) 1.965 1.247 ( -4.262 7.751 1.099) 8.913 1.379 ( 1.985 8.513 -5.830) 10.507 1.422 ( -1.950 7.059 -2.971) 7.903 1.477 ( -0.074 3.434 -5.298) 6.314 1.557 ( -4.691 7.712 -4.398) 10.041 1.929 ( 7.057 -0.914 8.208) 10.863 2.092 ( 3.843 1.906 1.502) 4.545 2.379 ( -4.910 -1.159 -2.894) 5.817 2.412 ( -9.662 -3.468 -5.980) 11.880 2.877 ( 1.342 2.319 2.454) 3.633 2.950 ( -1.097 -0.623 0.892) 1.545 2.975 ( 0.122 15.320 1.311) 15.376 3.041 ( -2.313 10.189 -1.179) 10.514 3.124 ( -0.626 9.337 -2.389) 9.657 3.147 ( -0.631 8.612 0.921) 8.684 3.347 ( 4.645 -1.724 -1.793) 5.269 3.415 ( 2.152 -1.738 -0.390) 2.794 4.081 ( 5.216 1.975 4.952) 7.458 4.226 ( 2.949 1.853 -1.962) 3.997 4.308 ( 0.266 0.500 6.132) 6.158 4.464 ( -2.247 -1.436 1.399) 3.011 4.632 ( 2.695 -3.558 6.762) 8.103 4.874 ( -8.168 -9.753 8.759) 15.445 5.060 ( 7.803 -8.500 -10.775) 15.787 5.302 ( -2.823 -19.829 -10.578) 22.650 9.119 ( 0.308 6.608 -0.622) 6.644 9.123 ( 0.177 4.729 -1.014) 4.840 9.295 ( 0.856 15.201 2.113) 15.371 9.382 ( -2.934 17.203 -2.291) 17.601 9.542 ( 1.345 0.406 1.323) 1.930 9.616 ( -1.469 0.809 -1.785) 2.449 9.882 ( -2.271 3.558 2.873) 5.106 9.945 ( -3.389 -0.508 -0.429) 3.454 24.073 ( 0.165 13.397 -0.178) 13.399 24.079 ( -0.605 15.173 -0.601) 15.197 24.129 ( 0.145 13.557 0.896) 13.587 24.165 ( -1.146 13.212 -0.724) 13.281 27.216 ( 6.325 -4.202 1.851) 7.816 27.297 ( 4.539 -2.880 -1.733) 5.648 27.380 ( -0.962 -0.346 0.966) 1.407 27.407 ( 1.156 1.201 0.189) 1.677 27.469 ( 2.950 2.459 1.602) 4.162 27.693 ( 14.356 1.777 -10.280) 17.746 27.854 ( -8.426 2.681 5.784) 10.566 28.133 ( -6.574 0.250 -7.022) 9.622 49.634 ( 0.206 -6.587 0.682) 6.625 49.668 ( -1.284 -6.844 -0.737) 7.002 49.813 ( 0.199 -8.272 1.429) 8.397 49.834 ( -0.656 -7.989 0.343) 8.023 89.457 ( 0.910 13.210 0.888) 13.271 89.491 ( 0.513 15.102 -0.042) 15.110 89.558 ( 0.372 22.163 1.136) 22.196 89.747 ( -8.159 36.829 -8.664) 38.704 93.298 ( 5.282 2.268 2.918) 6.446 93.379 ( 7.036 1.666 -0.888) 7.285 93.663 ( -11.347 -2.874 7.202) 13.744 93.784 ( -9.446 -3.684 -0.298) 10.143 ======================= Grid point 192 (64/112) ======================= q-point: (-0.50 0.08 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.058 ( -7.870 2.049 3.963) 9.047 1.058 ( 7.870 2.049 3.963) 9.047 1.145 ( -5.759 9.862 5.575) 12.708 1.145 ( 5.759 9.862 5.575) 12.708 1.414 ( -3.237 4.520 -7.075) 8.998 1.414 ( 3.237 4.520 -7.075) 8.998 1.467 ( -2.348 7.548 -6.024) 9.939 1.467 ( 2.348 7.548 -6.024) 9.939 2.118 ( -7.751 -0.078 -0.868) 7.800 2.118 ( 7.751 -0.078 -0.868) 7.800 2.279 ( -2.864 -0.462 0.237) 2.910 2.279 ( 2.864 -0.462 0.237) 2.910 2.907 ( -1.837 2.545 1.862) 3.649 2.907 ( 1.837 2.545 1.862) 3.649 3.003 ( -1.653 10.688 1.229) 10.885 3.003 ( 1.653 10.688 1.229) 10.885 3.124 ( -0.794 9.008 0.336) 9.049 3.124 ( 0.794 9.008 0.336) 9.049 3.419 ( -1.874 -1.928 -1.716) 3.190 3.419 ( 1.874 -1.928 -1.716) 3.190 4.201 ( -4.980 1.877 4.399) 6.905 4.201 ( 4.980 1.877 4.399) 6.905 4.378 ( -5.443 -1.324 2.401) 6.095 4.378 ( 5.443 -1.324 2.401) 6.095 4.719 ( -5.905 -5.678 7.656) 11.212 4.719 ( 5.905 -5.678 7.656) 11.212 5.208 ( -5.997 -13.013 -12.889) 19.273 5.208 ( 5.997 -13.013 -12.889) 19.273 9.124 ( -0.124 5.666 -0.848) 5.731 9.124 ( 0.124 5.666 -0.848) 5.731 9.326 ( -2.171 16.556 0.260) 16.700 9.326 ( 2.171 16.556 0.260) 16.700 9.577 ( -1.934 1.106 0.387) 2.262 9.577 ( 1.934 1.106 0.387) 2.262 9.885 ( -1.961 -0.724 1.028) 2.329 9.885 ( 1.961 -0.724 1.028) 2.329 24.073 ( -0.058 13.878 -0.056) 13.878 24.073 ( 0.058 13.878 -0.056) 13.878 24.142 ( -0.968 13.253 -0.073) 13.288 24.142 ( 0.968 13.253 -0.073) 13.288 27.313 ( -3.337 -1.409 0.992) 3.755 27.313 ( 3.337 -1.409 0.992) 3.755 27.379 ( -2.437 -2.522 -1.197) 3.706 27.379 ( 2.437 -2.522 -1.197) 3.706 27.649 ( -10.587 3.768 5.456) 12.492 27.649 ( 10.587 3.768 5.456) 12.492 27.957 ( -10.448 0.295 -9.391) 14.051 27.957 ( 10.448 0.295 -9.391) 14.051 49.645 ( -0.820 -6.712 -0.039) 6.762 49.645 ( 0.820 -6.712 -0.039) 6.762 49.821 ( -0.566 -7.958 0.828) 8.021 49.821 ( 0.566 -7.958 0.828) 8.021 89.479 ( -1.145 14.874 1.216) 14.968 89.479 ( 1.145 14.874 1.216) 14.968 89.613 ( -4.626 26.435 -3.124) 27.018 89.613 ( 4.626 26.435 -3.124) 27.018 93.426 ( -6.186 3.277 4.537) 8.342 93.426 ( 6.186 3.277 4.537) 8.342 93.590 ( -7.662 -4.165 -0.385) 8.729 93.590 ( 7.662 -4.165 -0.385) 8.729 ======================= Grid point 196 (65/112) ======================= q-point: ( 0.00 0.17 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 152 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.855 ( 0.000 8.763 10.146) 13.407 1.085 ( 0.000 9.301 8.739) 12.763 1.204 ( 0.000 10.548 -1.311) 10.629 1.449 ( 0.000 6.935 -4.658) 8.354 1.544 ( 0.000 6.530 0.280) 6.536 1.569 ( 0.000 8.415 -2.834) 8.879 1.643 ( 0.000 13.245 4.073) 13.858 1.845 ( 0.000 6.477 0.133) 6.479 1.977 ( 0.000 12.265 6.060) 13.680 2.157 ( 0.000 -2.572 -3.647) 4.463 2.318 ( 0.000 -3.424 12.908) 13.355 2.715 ( 0.000 -2.146 -3.717) 4.292 2.725 ( 0.000 -1.532 -5.660) 5.864 2.828 ( 0.000 -4.377 -9.472) 10.435 3.178 ( 0.000 2.792 -1.595) 3.215 3.181 ( 0.000 -0.946 0.353) 1.009 3.249 ( 0.000 5.678 -2.981) 6.413 3.268 ( 0.000 4.515 -1.536) 4.769 3.473 ( 0.000 11.917 -1.207) 11.978 3.524 ( 0.000 11.772 -3.856) 12.387 4.159 ( 0.000 9.671 4.450) 10.646 4.185 ( 0.000 6.564 1.260) 6.683 4.343 ( 0.000 1.362 -0.786) 1.573 4.431 ( 0.000 1.359 -2.980) 3.276 4.517 ( 0.000 -5.016 4.022) 6.429 4.687 ( 0.000 -10.729 -3.853) 11.400 4.760 ( 0.000 -15.113 6.606) 16.494 4.838 ( 0.000 -13.930 4.940) 14.780 9.170 ( 0.000 0.933 0.160) 0.947 9.224 ( 0.000 2.688 -2.348) 3.569 9.410 ( 0.000 -4.889 2.266) 5.389 9.495 ( 0.000 -2.981 -1.081) 3.171 9.658 ( 0.000 15.164 2.996) 15.457 9.752 ( 0.000 12.683 -0.987) 12.721 10.133 ( 0.000 10.365 4.401) 11.261 10.504 ( 0.000 16.926 -15.170) 22.729 24.439 ( 0.000 22.547 0.855) 22.563 24.511 ( 0.000 22.010 -2.155) 22.115 24.511 ( 0.000 22.711 1.487) 22.760 24.607 ( 0.000 23.123 -4.510) 23.559 26.932 ( 0.000 -2.144 -0.080) 2.146 26.934 ( 0.000 -2.432 -0.099) 2.434 27.434 ( 0.000 4.209 -0.230) 4.215 27.444 ( 0.000 6.984 -1.138) 7.076 27.462 ( 0.000 1.549 0.184) 1.560 27.469 ( 0.000 -1.159 -0.142) 1.168 28.102 ( 0.000 4.153 4.714) 6.283 28.293 ( 0.000 2.125 -3.599) 4.180 49.453 ( 0.000 -11.472 1.183) 11.533 49.514 ( 0.000 -12.212 -1.702) 12.330 49.564 ( 0.000 -14.590 2.538) 14.809 49.623 ( 0.000 -13.989 -0.502) 13.998 89.740 ( 0.000 17.367 0.817) 17.386 89.790 ( 0.000 18.664 -1.747) 18.745 90.162 ( 0.000 30.894 11.575) 32.991 91.052 ( 0.000 37.676 -37.712) 53.308 93.249 ( 0.000 3.040 0.406) 3.067 93.262 ( 0.000 5.367 -0.071) 5.367 93.919 ( 0.000 -4.241 2.427) 4.887 94.023 ( 0.000 -0.818 -2.224) 2.369 ======================= Grid point 197 (66/112) ======================= q-point: ( 0.17 0.17 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 216 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.895 ( 3.178 8.231 8.661) 12.364 1.133 ( 4.073 9.050 6.277) 11.743 1.222 ( 1.339 8.874 -1.418) 9.085 1.444 ( -0.984 7.031 -3.703) 8.007 1.524 ( -0.867 6.032 -0.354) 6.104 1.567 ( 0.859 10.486 -4.594) 11.480 1.693 ( 2.243 11.549 2.686) 12.067 1.796 ( -4.359 4.433 1.137) 6.320 1.926 ( -3.784 8.340 5.544) 10.705 2.111 ( -0.338 1.801 -0.241) 1.848 2.373 ( 1.754 -1.936 4.373) 5.093 2.565 ( -8.704 -1.180 -6.936) 11.191 2.792 ( 4.901 -2.210 -1.854) 5.687 2.908 ( 2.483 -3.424 -2.428) 4.877 3.172 ( 0.996 0.684 0.777) 1.436 3.201 ( 0.718 2.303 -1.417) 2.798 3.269 ( 1.352 4.887 -2.637) 5.715 3.283 ( 1.648 3.122 -1.010) 3.672 3.454 ( -1.486 11.461 -1.517) 11.656 3.476 ( -3.839 11.776 -2.989) 12.741 4.133 ( -0.501 8.835 4.133) 9.767 4.233 ( 2.879 6.345 0.308) 6.975 4.347 ( 0.591 3.150 0.899) 3.329 4.455 ( 0.820 -0.161 -0.947) 1.263 4.517 ( 0.313 -5.245 4.363) 6.830 4.727 ( 0.842 -12.409 -1.041) 12.481 4.740 ( 0.961 -12.778 2.086) 12.983 4.876 ( 3.102 -13.762 0.480) 14.116 9.175 ( 0.432 0.898 0.147) 1.007 9.224 ( -0.065 2.551 -2.050) 3.273 9.411 ( 0.169 -4.533 1.746) 4.861 9.484 ( -0.911 -2.548 -1.019) 2.891 9.677 ( 1.926 15.102 2.902) 15.499 9.773 ( 1.942 13.096 -1.115) 13.286 10.095 ( -3.402 9.958 3.605) 11.124 10.376 ( -10.779 18.499 -10.862) 24.008 24.439 ( -0.008 22.431 0.574) 22.438 24.498 ( -1.175 22.219 -1.921) 22.332 24.507 ( -0.373 22.639 1.171) 22.672 24.577 ( -2.259 23.051 -2.639) 23.311 26.996 ( 5.706 -2.994 0.691) 6.481 27.043 ( 8.389 -4.504 -1.708) 9.673 27.422 ( -1.780 0.366 0.449) 1.872 27.443 ( -0.430 2.198 -0.381) 2.272 27.468 ( 1.509 2.600 0.775) 3.104 27.541 ( 7.203 5.661 -3.122) 9.679 28.058 ( -4.156 4.361 4.846) 7.731 28.259 ( -3.244 2.142 -4.041) 5.607 49.450 ( -0.198 -11.499 1.028) 11.547 49.499 ( -1.153 -12.265 -0.983) 12.359 49.572 ( 0.620 -14.187 1.775) 14.311 49.620 ( -0.292 -13.909 -0.379) 13.917 89.755 ( 1.424 17.903 1.086) 17.992 89.815 ( 2.317 19.323 -1.870) 19.551 90.139 ( -1.944 30.538 9.980) 32.186 90.888 ( -14.239 38.357 -30.629) 51.109 93.279 ( 2.691 3.348 0.571) 4.333 93.293 ( 2.997 3.459 0.020) 4.576 93.864 ( -4.980 -3.046 1.688) 6.077 93.897 ( -10.093 1.798 1.291) 10.333 ======================= Grid point 198 (67/112) ======================= q-point: ( 0.33 0.17 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 220 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.986 ( 5.893 6.459 4.858) 10.003 1.218 ( 0.638 5.315 -2.872) 6.075 1.238 ( 2.279 8.218 4.988) 9.880 1.379 ( -4.398 6.812 -2.374) 8.448 1.538 ( 0.909 4.488 -4.216) 6.225 1.594 ( 0.522 9.891 -5.350) 11.257 1.648 ( -4.093 11.971 0.152) 12.653 1.706 ( -4.055 6.094 -1.617) 7.496 1.952 ( 6.991 3.904 5.519) 9.725 2.149 ( 3.060 3.285 -1.278) 4.668 2.358 ( -3.144 0.206 0.842) 3.261 2.406 ( -6.257 2.871 -2.968) 7.496 2.867 ( 1.731 -1.803 1.024) 2.701 2.913 ( -1.064 -2.654 1.058) 3.048 3.207 ( 1.301 4.675 0.608) 4.891 3.225 ( 1.770 0.814 2.707) 3.335 3.290 ( 0.677 3.665 -0.090) 3.728 3.328 ( 2.338 1.911 -2.668) 4.029 3.388 ( -3.471 13.412 -2.138) 14.018 3.432 ( -1.088 6.543 -1.949) 6.913 4.165 ( 3.576 6.770 4.535) 8.899 4.297 ( 3.372 5.483 -1.639) 6.643 4.344 ( -1.790 3.118 4.002) 5.380 4.439 ( -1.983 -0.183 1.633) 2.576 4.538 ( 1.740 -5.417 4.474) 7.238 4.665 ( -3.745 -9.513 5.653) 11.682 4.843 ( 5.285 -12.482 -7.608) 15.544 4.934 ( 1.662 -13.674 -5.911) 14.989 9.188 ( 0.793 0.930 -0.012) 1.223 9.219 ( -0.433 2.021 -1.297) 2.440 9.419 ( 0.579 -3.585 0.571) 3.676 9.461 ( -1.243 -2.184 -0.881) 2.663 9.742 ( 4.305 15.681 2.504) 16.453 9.830 ( 3.323 15.278 -1.251) 15.686 10.003 ( -5.102 8.351 2.146) 10.018 10.128 ( -11.276 19.051 -4.070) 22.509 24.440 ( 0.182 22.276 0.008) 22.277 24.469 ( -1.346 22.552 -1.369) 22.634 24.500 ( -0.101 22.412 0.920) 22.431 24.534 ( -1.695 22.401 -0.632) 22.473 27.136 ( 6.817 -3.748 1.366) 7.898 27.210 ( 6.675 -5.039 -2.158) 8.637 27.364 ( -3.601 -1.033 0.860) 3.844 27.404 ( -2.773 -1.436 -1.036) 3.290 27.563 ( 6.901 6.065 2.872) 9.626 27.739 ( 10.307 3.060 -5.877) 12.254 27.937 ( -6.744 5.275 4.747) 9.790 28.156 ( -6.565 2.155 -5.145) 8.615 49.448 ( 0.072 -11.610 0.597) 11.626 49.474 ( -1.108 -12.072 -0.414) 12.130 49.586 ( 0.638 -13.802 1.076) 13.859 49.611 ( -0.520 -13.755 -0.023) 13.765 89.798 ( 2.588 19.285 1.798) 19.541 89.868 ( 1.698 20.607 -0.611) 20.686 90.116 ( 1.333 30.464 4.062) 30.763 90.543 ( -16.685 36.883 -17.042) 43.922 93.353 ( 4.204 2.705 1.463) 5.209 93.383 ( 5.131 -1.055 0.054) 5.239 93.683 ( -8.866 6.284 3.750) 11.496 93.731 ( -7.215 0.142 0.432) 7.230 ======================= Grid point 199 (68/112) ======================= q-point: (-0.50 0.17 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.131 ( -6.897 4.819 1.608) 8.566 1.131 ( 6.897 4.819 1.608) 8.566 1.306 ( -2.675 5.675 -0.969) 6.349 1.306 ( 2.675 5.675 -0.969) 6.349 1.548 ( -1.661 7.967 -3.150) 8.726 1.548 ( 1.661 7.967 -3.150) 8.726 1.648 ( -1.826 9.461 -3.827) 10.368 1.648 ( 1.826 9.461 -3.827) 10.368 2.133 ( -7.458 1.781 -0.624) 7.693 2.133 ( 7.458 1.781 -0.624) 7.693 2.313 ( -2.512 4.137 1.998) 5.236 2.313 ( 2.512 4.137 1.998) 5.236 2.889 ( -1.023 -1.883 1.252) 2.482 2.889 ( 1.023 -1.883 1.252) 2.482 3.233 ( -0.968 4.231 2.744) 5.135 3.233 ( 0.968 4.231 2.744) 5.135 3.316 ( -2.018 6.013 -0.502) 6.363 3.316 ( 2.018 6.013 -0.502) 6.363 3.397 ( -2.440 4.687 -2.605) 5.891 3.397 ( 2.440 4.687 -2.605) 5.891 4.263 ( -5.023 3.968 4.724) 7.955 4.263 ( 5.023 3.968 4.724) 7.955 4.378 ( -3.732 2.654 0.020) 4.580 4.378 ( 3.732 2.654 0.020) 4.580 4.590 ( -3.141 -6.430 5.296) 8.903 4.590 ( 3.141 -6.430 5.296) 8.903 4.927 ( -2.366 -13.104 -8.396) 15.742 4.927 ( 2.366 -13.104 -8.396) 15.742 9.206 ( -0.820 1.310 -0.503) 1.625 9.206 ( 0.820 1.310 -0.503) 1.625 9.436 ( -1.056 -2.585 -0.433) 2.826 9.436 ( 1.056 -2.585 -0.433) 2.826 9.851 ( -4.860 18.184 1.017) 18.850 9.851 ( 4.860 18.184 1.017) 18.850 9.952 ( -4.503 11.183 -0.474) 12.065 9.952 ( 4.503 11.183 -0.474) 12.065 24.448 ( -0.612 22.403 -0.547) 22.418 24.448 ( 0.612 22.403 -0.547) 22.418 24.507 ( -0.804 22.170 0.265) 22.186 24.507 ( 0.804 22.170 0.265) 22.186 27.261 ( -4.644 -3.326 0.926) 5.787 27.261 ( 4.644 -3.326 0.926) 5.787 27.333 ( -3.671 -2.403 -1.317) 4.582 27.333 ( 3.671 -2.403 -1.317) 4.582 27.735 ( -8.621 4.838 3.917) 10.634 27.735 ( 8.621 4.838 3.917) 10.634 27.986 ( -9.329 2.800 -5.832) 11.353 27.986 ( 9.329 2.800 -5.832) 11.353 49.455 ( -0.634 -11.820 0.063) 11.837 49.455 ( 0.634 -11.820 0.063) 11.837 49.599 ( -0.626 -13.678 0.497) 13.702 49.599 ( 0.626 -13.678 0.497) 13.702 89.855 ( -2.420 20.721 2.183) 20.976 89.855 ( 2.420 20.721 2.183) 20.976 90.246 ( -10.850 32.805 -6.103) 35.088 90.246 ( 10.850 32.805 -6.103) 35.088 93.439 ( -2.446 -2.970 1.987) 4.331 93.439 ( 2.446 -2.970 1.987) 4.331 93.599 ( -3.323 7.370 0.846) 8.129 93.599 ( 3.323 7.370 0.846) 8.129 ======================= Grid point 203 (69/112) ======================= q-point: ( 0.00 0.25 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.056 ( 0.000 10.826 7.331) 13.074 1.239 ( 0.000 6.878 3.851) 7.882 1.436 ( 0.000 11.639 0.665) 11.658 1.570 ( 0.000 5.147 1.301) 5.309 1.655 ( 0.000 4.665 0.187) 4.668 1.744 ( 0.000 7.915 -5.460) 9.615 1.881 ( 0.000 8.971 -0.691) 8.997 1.905 ( 0.000 -0.205 3.078) 3.085 2.147 ( 0.000 1.485 -3.566) 3.863 2.164 ( 0.000 5.260 4.082) 6.658 2.294 ( 0.000 1.736 7.171) 7.378 2.684 ( 0.000 -0.503 -1.631) 1.707 2.698 ( 0.000 -3.664 -7.020) 7.918 2.760 ( 0.000 0.579 -6.893) 6.918 3.143 ( 0.000 -3.301 0.500) 3.339 3.179 ( 0.000 -1.445 -2.028) 2.490 3.296 ( 0.000 -0.106 -0.159) 0.191 3.338 ( 0.000 1.637 -1.661) 2.332 3.580 ( 0.000 -1.560 1.458) 2.136 3.622 ( 0.000 -1.805 -0.634) 1.913 4.338 ( 0.000 4.022 0.026) 4.023 4.347 ( 0.000 -1.728 -0.064) 1.729 4.404 ( 0.000 3.169 1.418) 3.472 4.430 ( 0.000 -0.698 0.197) 0.726 4.444 ( 0.000 6.681 1.806) 6.920 4.498 ( 0.000 -5.132 -1.501) 5.347 4.563 ( 0.000 -2.420 4.935) 5.496 4.746 ( 0.000 3.104 -2.372) 3.907 9.164 ( 0.000 -0.895 0.201) 0.917 9.223 ( 0.000 -1.747 -2.281) 2.874 9.331 ( 0.000 -2.396 2.432) 3.414 9.419 ( 0.000 -2.763 -1.800) 3.298 9.983 ( 0.000 15.782 1.651) 15.868 10.025 ( 0.000 13.951 -0.487) 13.959 10.386 ( 0.000 12.986 6.792) 14.655 10.749 ( 0.000 8.066 -10.289) 13.074 24.925 ( 0.000 24.779 1.095) 24.803 24.988 ( 0.000 24.576 -1.611) 24.629 25.003 ( 0.000 25.323 1.116) 25.347 25.073 ( 0.000 22.845 -2.687) 23.002 26.887 ( 0.000 -2.296 0.007) 2.296 26.889 ( 0.000 -2.148 -0.142) 2.153 27.441 ( 0.000 -0.655 0.179) 0.679 27.443 ( 0.000 -1.258 0.105) 1.262 27.570 ( 0.000 6.227 -0.175) 6.229 27.581 ( 0.000 6.447 -0.878) 6.506 28.200 ( 0.000 5.415 3.793) 6.611 28.351 ( 0.000 3.397 -2.951) 4.499 49.195 ( 0.000 -13.761 0.856) 13.788 49.238 ( 0.000 -14.708 -1.146) 14.752 49.255 ( 0.000 -15.609 2.025) 15.740 49.316 ( 0.000 -15.949 -0.892) 15.974 90.087 ( 0.000 16.174 0.982) 16.204 90.155 ( 0.000 16.660 -2.657) 16.871 90.713 ( 0.000 22.033 14.322) 26.278 91.505 ( 0.000 9.000 -24.099) 25.725 93.360 ( 0.000 8.950 -0.495) 8.964 93.408 ( 0.000 9.452 -2.125) 9.688 93.900 ( 0.000 2.778 3.983) 4.856 94.099 ( 0.000 7.106 -6.124) 9.381 ======================= Grid point 204 (70/112) ======================= q-point: ( 0.17 0.25 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 216 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.078 ( 1.591 9.781 5.794) 11.479 1.279 ( 3.227 6.354 2.088) 7.426 1.417 ( -1.662 9.486 0.597) 9.649 1.583 ( 0.359 5.892 -0.677) 5.941 1.626 ( -2.253 4.616 0.179) 5.140 1.753 ( 0.300 6.985 -7.102) 9.965 1.810 ( -2.646 1.550 4.690) 5.604 1.925 ( -0.744 7.855 -0.340) 7.897 2.084 ( -4.441 6.740 -0.804) 8.111 2.162 ( 1.050 2.463 -2.525) 3.680 2.357 ( 3.619 -0.109 7.367) 8.208 2.580 ( -4.140 2.650 -3.238) 5.887 2.768 ( 3.301 -0.268 -2.468) 4.130 2.825 ( 3.089 -3.730 -3.186) 5.797 3.133 ( -0.020 -3.271 1.081) 3.445 3.200 ( 1.076 -2.037 -1.877) 2.972 3.295 ( 0.055 -1.819 -0.594) 1.915 3.328 ( -0.827 0.800 -1.463) 1.862 3.566 ( -1.132 -0.861 1.058) 1.773 3.597 ( -2.189 -0.519 -0.602) 2.329 4.329 ( -0.466 5.890 1.092) 6.008 4.366 ( 1.260 -1.655 0.696) 2.193 4.399 ( -0.480 2.025 0.909) 2.271 4.419 ( 0.314 -0.422 1.085) 1.206 4.479 ( 1.285 4.334 0.183) 4.524 4.537 ( 4.342 -4.706 -1.925) 6.686 4.562 ( -0.293 -1.568 4.722) 4.984 4.766 ( 1.461 1.758 -3.373) 4.075 9.167 ( 0.259 -0.974 0.270) 1.043 9.221 ( -0.216 -1.600 -1.810) 2.425 9.334 ( 0.403 -2.570 1.717) 3.117 9.413 ( -0.546 -2.785 -1.811) 3.367 9.994 ( 1.276 15.407 2.021) 15.591 10.056 ( 2.705 14.321 -0.982) 14.607 10.352 ( -3.067 13.535 6.159) 15.184 10.665 ( -7.447 10.232 -8.468) 15.227 24.923 ( -0.110 24.765 0.858) 24.780 24.976 ( -1.048 24.584 -1.420) 24.648 24.997 ( -0.550 25.189 0.908) 25.211 25.051 ( -1.826 23.410 -1.870) 23.555 26.939 ( 4.830 -2.631 0.404) 5.515 26.964 ( 6.293 -3.458 -0.799) 7.225 27.411 ( -2.603 -1.009 0.431) 2.825 27.425 ( -1.955 -1.476 -0.177) 2.456 27.591 ( 3.012 6.650 0.968) 7.364 27.658 ( 6.164 5.802 -2.271) 8.765 28.160 ( -3.774 5.574 3.899) 7.779 28.317 ( -3.260 3.376 -3.190) 5.675 49.192 ( -0.231 -13.741 0.743) 13.763 49.223 ( -0.970 -14.592 -0.265) 14.627 49.267 ( 0.767 -15.634 1.052) 15.688 49.313 ( -0.212 -15.947 -0.738) 15.965 90.110 ( 2.170 16.430 1.267) 16.621 90.188 ( 3.003 16.814 -2.780) 17.305 90.687 ( -2.119 22.023 12.622) 25.472 91.384 ( -10.947 11.694 -21.238) 26.602 93.374 ( 1.240 8.161 -0.392) 8.264 93.417 ( 0.815 8.511 -1.877) 8.753 93.873 ( -2.324 4.220 3.411) 5.903 94.020 ( -6.523 9.033 -3.712) 11.744 ======================= Grid point 205 (71/112) ======================= q-point: ( 0.33 0.25 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 216 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.127 ( 3.601 7.400 2.083) 8.489 1.316 ( -1.782 4.549 -5.115) 7.074 1.376 ( -0.643 5.597 3.348) 6.554 1.524 ( -5.544 6.831 -2.921) 9.270 1.611 ( 1.232 3.228 -0.375) 3.476 1.743 ( -1.248 3.950 -5.661) 7.015 1.820 ( 1.477 6.858 0.101) 7.015 1.856 ( -3.643 8.126 -1.712) 9.068 2.070 ( 3.933 6.657 1.951) 7.974 2.207 ( 2.222 2.645 -3.484) 4.906 2.403 ( 0.842 3.354 6.516) 7.377 2.504 ( -3.728 6.022 0.007) 7.082 2.828 ( 1.699 -1.914 0.491) 2.606 2.855 ( 0.395 -2.536 0.116) 2.569 3.155 ( 1.932 -4.626 2.216) 5.481 3.210 ( -0.080 -3.129 -1.045) 3.300 3.299 ( 0.178 -4.636 -1.029) 4.752 3.310 ( -0.720 -1.321 -1.013) 1.814 3.540 ( -1.284 0.728 -0.220) 1.492 3.549 ( -1.915 1.332 -0.661) 2.425 4.326 ( 0.320 5.991 2.501) 6.500 4.368 ( -1.140 -0.642 2.871) 3.155 4.413 ( 2.085 -0.025 0.141) 2.090 4.442 ( 1.389 0.305 -0.455) 1.493 4.497 ( 0.542 2.275 1.121) 2.593 4.542 ( -1.572 0.398 4.885) 5.147 4.651 ( 5.666 -3.815 -4.275) 8.058 4.785 ( -0.115 -0.863 -4.994) 5.069 9.176 ( 0.635 -1.149 0.319) 1.351 9.211 ( -0.753 -1.428 -0.718) 1.767 9.349 ( 0.986 -2.787 0.099) 2.958 9.397 ( -1.003 -2.822 -1.701) 3.444 10.042 ( 3.301 14.790 2.485) 15.356 10.128 ( 3.552 13.881 -1.507) 14.408 10.274 ( -3.477 15.477 4.490) 16.486 10.478 ( -9.406 14.162 -4.932) 17.702 24.923 ( 0.154 24.761 0.311) 24.764 24.951 ( -1.190 24.698 -0.950) 24.745 24.985 ( -0.422 24.858 0.562) 24.868 25.011 ( -1.711 24.075 -0.655) 24.145 27.067 ( 6.758 -3.113 0.834) 7.487 27.113 ( 7.089 -4.475 -1.378) 8.496 27.335 ( -4.525 -1.751 0.770) 4.913 27.363 ( -3.851 -2.452 -0.544) 4.598 27.695 ( 6.604 6.809 2.221) 9.742 27.818 ( 8.140 4.673 -3.680) 10.081 28.052 ( -5.780 5.974 3.827) 9.151 28.215 ( -6.423 3.410 -3.634) 8.129 49.188 ( -0.070 -13.769 0.468) 13.777 49.204 ( -0.816 -14.248 -0.042) 14.272 49.283 ( 0.684 -15.773 0.607) 15.800 49.307 ( -0.426 -15.926 -0.346) 15.935 90.173 ( 3.667 17.033 1.930) 17.530 90.256 ( 2.329 17.115 -1.557) 17.343 90.664 ( 1.469 21.749 6.357) 22.707 91.093 ( -15.368 16.810 -13.810) 26.636 93.408 ( 1.834 6.082 -0.372) 6.364 93.436 ( 0.781 6.248 -1.338) 6.438 93.819 ( -2.294 7.988 2.294) 8.622 93.879 ( -5.821 11.726 -0.363) 13.097 ======================= Grid point 206 (72/112) ======================= q-point: (-0.50 0.25 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.228 ( -5.341 4.627 -1.919) 7.322 1.228 ( 5.341 4.627 -1.919) 7.322 1.408 ( -3.917 4.833 -2.355) 6.652 1.408 ( 3.917 4.833 -2.355) 6.652 1.675 ( -4.161 4.702 -1.410) 6.435 1.675 ( 4.161 4.702 -1.410) 6.435 1.831 ( -0.295 8.453 -3.355) 9.100 1.831 ( 0.295 8.453 -3.355) 9.100 2.188 ( -4.843 3.386 0.577) 5.937 2.188 ( 4.843 3.386 0.577) 5.937 2.429 ( -2.655 6.530 3.620) 7.924 2.429 ( 2.655 6.530 3.620) 7.924 2.850 ( -0.841 -1.760 0.836) 2.122 2.850 ( 0.841 -1.760 0.836) 2.122 3.195 ( -1.454 -5.029 1.509) 5.448 3.195 ( 1.454 -5.029 1.509) 5.448 3.301 ( -0.143 -3.885 -0.983) 4.010 3.301 ( 0.143 -3.885 -0.983) 4.010 3.526 ( -0.256 1.778 -0.981) 2.046 3.526 ( 0.256 1.778 -0.981) 2.046 4.342 ( -1.111 2.497 2.908) 3.991 4.342 ( 1.111 2.497 2.908) 3.991 4.454 ( -0.901 -0.518 -0.445) 1.130 4.454 ( 0.901 -0.518 -0.445) 1.130 4.508 ( -1.063 2.408 3.564) 4.431 4.508 ( 1.063 2.408 3.564) 4.431 4.749 ( -3.319 -2.972 -5.423) 7.019 4.749 ( 3.319 -2.972 -5.423) 7.019 9.193 ( -0.918 -1.322 0.063) 1.610 9.193 ( 0.918 -1.322 0.063) 1.610 9.373 ( -1.206 -2.838 -1.155) 3.293 9.373 ( 1.206 -2.838 -1.155) 3.293 10.123 ( -3.827 13.391 2.256) 14.109 10.123 ( 3.827 13.391 2.256) 14.109 10.303 ( -6.480 16.836 -1.606) 18.111 10.303 ( 6.480 16.836 -1.606) 18.111 24.931 ( -0.660 24.795 -0.315) 24.806 24.931 ( 0.660 24.795 -0.315) 24.806 24.986 ( -0.605 24.439 0.089) 24.447 24.986 ( 0.605 24.439 0.089) 24.447 27.196 ( -3.786 -2.994 0.147) 4.830 27.196 ( 3.786 -2.994 0.147) 4.830 27.274 ( -3.196 -3.440 -0.299) 4.705 27.274 ( 3.196 -3.440 -0.299) 4.705 27.846 ( -6.669 6.136 2.147) 9.313 27.846 ( 6.669 6.136 2.147) 9.313 28.059 ( -7.504 4.066 -2.908) 9.016 28.059 ( 7.504 4.066 -2.908) 9.016 49.191 ( -0.385 -13.946 0.173) 13.952 49.191 ( 0.385 -13.946 0.173) 13.952 49.296 ( -0.584 -15.869 0.144) 15.881 49.296 ( 0.584 -15.869 0.144) 15.881 90.248 ( -2.815 17.432 1.744) 17.744 90.248 ( 2.815 17.432 1.744) 17.744 90.800 ( -11.324 20.221 -4.472) 23.604 90.800 ( 11.324 20.221 -4.472) 23.604 93.438 ( -0.741 4.675 -0.753) 4.793 93.438 ( 0.741 4.675 -0.753) 4.793 93.803 ( -1.254 11.673 1.259) 11.808 93.803 ( 1.254 11.673 1.259) 11.808 ======================= Grid point 210 (73/112) ======================= q-point: ( 0.00 0.33 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 152 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.271 ( 0.000 10.174 4.861) 11.276 1.376 ( 0.000 6.776 1.380) 6.915 1.631 ( 0.000 0.343 6.446) 6.455 1.639 ( 0.000 7.673 0.953) 7.732 1.722 ( 0.000 1.582 0.946) 1.844 1.824 ( 0.000 -1.120 -6.154) 6.255 1.943 ( 0.000 7.054 1.350) 7.182 1.985 ( 0.000 3.388 0.402) 3.412 2.198 ( 0.000 3.027 -3.471) 4.606 2.252 ( 0.000 3.007 -2.156) 3.700 2.334 ( 0.000 2.487 2.172) 3.302 2.603 ( 0.000 -5.095 -7.276) 8.882 2.696 ( 0.000 0.947 2.075) 2.281 2.806 ( 0.000 1.837 -3.046) 3.557 3.050 ( 0.000 -4.838 1.120) 4.966 3.136 ( 0.000 -2.731 -3.202) 4.208 3.291 ( 0.000 -0.047 0.647) 0.649 3.339 ( 0.000 -1.188 -1.475) 1.894 3.465 ( 0.000 -7.736 3.355) 8.432 3.514 ( 0.000 -7.125 0.794) 7.169 4.251 ( 0.000 -4.463 1.810) 4.816 4.293 ( 0.000 -3.529 -0.495) 3.564 4.353 ( 0.000 -6.071 1.633) 6.287 4.372 ( 0.000 -4.064 1.149) 4.223 4.546 ( 0.000 4.788 -0.815) 4.857 4.554 ( 0.000 4.423 -1.145) 4.569 4.730 ( 0.000 11.061 2.002) 11.240 4.879 ( 0.000 7.417 -4.321) 8.584 9.154 ( 0.000 0.167 -0.105) 0.197 9.192 ( 0.000 -0.804 -1.610) 1.800 9.323 ( 0.000 1.450 2.313) 2.730 9.396 ( 0.000 0.202 -1.250) 1.266 10.268 ( 0.000 12.079 0.514) 12.090 10.283 ( 0.000 11.197 -0.240) 11.200 10.612 ( 0.000 9.235 5.426) 10.711 10.852 ( 0.000 2.712 -5.642) 6.260 25.392 ( 0.000 20.913 0.975) 20.935 25.449 ( 0.000 20.028 -1.698) 20.100 25.487 ( 0.000 21.905 0.510) 21.911 25.509 ( 0.000 20.204 -0.483) 20.210 26.842 ( 0.000 -2.132 0.087) 2.134 26.846 ( 0.000 -2.128 -0.105) 2.131 27.419 ( 0.000 -1.209 0.248) 1.234 27.423 ( 0.000 -1.111 0.041) 1.111 27.687 ( 0.000 5.217 0.051) 5.218 27.698 ( 0.000 5.064 -0.508) 5.090 28.311 ( 0.000 5.401 2.608) 5.997 28.418 ( 0.000 3.001 -2.238) 3.743 48.922 ( 0.000 -12.753 0.580) 12.766 48.949 ( 0.000 -13.453 -0.631) 13.467 48.964 ( 0.000 -12.741 1.312) 12.808 49.011 ( 0.000 -13.756 -0.876) 13.784 90.363 ( 0.000 11.168 0.912) 11.205 90.433 ( 0.000 10.835 -2.844) 11.202 91.018 ( 0.000 9.018 11.662) 14.741 91.516 ( 0.000 -5.325 -11.534) 12.704 93.598 ( 0.000 13.586 -1.047) 13.626 93.643 ( 0.000 13.443 -3.180) 13.814 94.011 ( 0.000 7.280 4.959) 8.809 94.247 ( 0.000 6.424 -7.013) 9.511 ======================= Grid point 211 (74/112) ======================= q-point: ( 0.17 0.33 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 216 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.277 ( 0.149 9.749 3.789) 10.460 1.401 ( 1.729 5.765 1.045) 6.108 1.555 ( -4.968 3.040 1.564) 6.031 1.650 ( -0.730 1.784 1.518) 2.454 1.708 ( -0.961 2.336 -0.432) 2.562 1.810 ( -0.793 2.366 -4.423) 5.078 1.935 ( 1.105 8.734 0.313) 8.809 2.012 ( -0.511 2.097 -0.731) 2.278 2.196 ( -3.825 2.829 -3.570) 5.948 2.211 ( 2.050 3.374 -3.166) 5.061 2.371 ( 3.619 2.032 5.927) 7.236 2.616 ( 0.293 -1.512 -3.275) 3.619 2.727 ( 2.496 -1.694 1.208) 3.250 2.828 ( 1.605 1.922 -2.772) 3.735 3.041 ( -0.526 -5.284 1.716) 5.580 3.136 ( -0.179 -3.673 -2.651) 4.533 3.265 ( -2.236 -0.764 0.230) 2.374 3.310 ( -2.581 -2.025 -1.688) 3.689 3.464 ( -0.068 -7.405 2.926) 7.962 3.506 ( -0.710 -6.746 0.712) 6.821 4.262 ( 1.060 -4.267 1.911) 4.794 4.310 ( 1.376 -3.161 -0.470) 3.479 4.364 ( 0.692 -5.251 1.337) 5.463 4.379 ( 0.679 -4.212 1.127) 4.413 4.550 ( 0.739 5.233 -0.419) 5.302 4.585 ( 2.663 4.158 -1.825) 5.264 4.720 ( -0.847 10.160 2.201) 10.430 4.875 ( -0.518 6.398 -4.388) 7.776 9.157 ( 0.359 0.357 -0.018) 0.507 9.198 ( 0.384 -0.399 -1.632) 1.723 9.319 ( -0.285 0.974 2.023) 2.263 9.387 ( -0.799 -0.021 -1.266) 1.498 10.276 ( 1.235 12.179 1.147) 12.295 10.319 ( 2.824 11.298 -0.916) 11.682 10.588 ( -2.117 9.648 5.059) 11.098 10.804 ( -4.355 4.139 -4.894) 7.750 25.391 ( -0.048 20.989 0.833) 21.005 25.439 ( -0.803 20.360 -1.432) 20.426 25.477 ( -0.832 21.730 0.403) 21.749 25.494 ( -1.240 20.328 -0.351) 20.369 26.890 ( 4.330 -2.337 0.244) 4.927 26.902 ( 4.967 -2.811 -0.321) 5.716 27.387 ( -2.992 -1.372 0.322) 3.307 27.394 ( -2.734 -1.555 -0.020) 3.145 27.717 ( 3.466 5.697 0.847) 6.722 27.765 ( 5.573 4.679 -1.422) 7.415 28.273 ( -3.575 5.472 2.692) 7.069 28.383 ( -3.294 2.971 -2.341) 5.016 48.921 ( -0.106 -12.627 0.517) 12.639 48.941 ( -0.550 -12.845 -0.186) 12.858 48.969 ( 0.397 -13.366 0.804) 13.396 49.008 ( -0.284 -13.836 -0.772) 13.860 90.389 ( 2.428 11.239 1.122) 11.553 90.467 ( 3.086 10.833 -3.020) 11.662 90.989 ( -2.481 8.660 10.593) 13.905 91.438 ( -7.103 -3.800 -10.489) 13.225 93.606 ( 0.665 13.634 -1.080) 13.693 93.643 ( -0.006 13.640 -2.867) 13.938 94.005 ( -0.454 7.763 4.318) 8.895 94.199 ( -4.098 7.650 -5.477) 10.263 ======================= Grid point 212 (75/112) ======================= q-point: ( 0.33 0.33 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 220 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.280 ( 0.685 7.758 0.651) 7.815 1.403 ( -2.732 4.126 -3.422) 6.016 1.458 ( -2.239 2.682 0.915) 3.611 1.612 ( -4.967 1.566 -4.325) 6.770 1.691 ( 1.685 4.579 0.533) 4.909 1.801 ( -0.544 3.073 -3.909) 5.002 1.970 ( 0.291 6.882 -1.786) 7.116 1.986 ( 0.139 6.025 -1.658) 6.251 2.169 ( 2.036 2.586 0.976) 3.433 2.265 ( 1.865 2.954 -1.758) 3.911 2.455 ( 3.944 1.561 7.240) 8.391 2.597 ( -2.188 1.760 0.765) 2.911 2.780 ( 2.418 -2.051 1.962) 3.728 2.851 ( 0.203 1.806 -1.783) 2.546 3.045 ( 1.176 -6.633 2.136) 7.067 3.122 ( -1.221 -4.699 -1.317) 5.031 3.214 ( -2.128 -2.821 -1.019) 3.678 3.244 ( -3.317 -4.277 -2.060) 5.792 3.464 ( 0.123 -6.603 1.952) 6.887 3.488 ( -0.952 -6.015 0.696) 6.130 4.291 ( 1.542 -3.394 1.868) 4.170 4.335 ( 0.422 -2.871 0.175) 2.907 4.374 ( 0.630 -3.061 0.982) 3.276 4.395 ( 0.515 -4.678 0.669) 4.754 4.579 ( 1.973 5.847 0.293) 6.178 4.646 ( 1.491 5.191 -1.667) 5.652 4.711 ( 1.346 6.427 0.877) 6.625 4.849 ( -2.114 4.471 -4.249) 6.520 9.169 ( 0.778 0.826 0.030) 1.136 9.201 ( -0.233 0.673 -1.121) 1.328 9.319 ( 0.386 -0.245 0.875) 0.987 9.364 ( -1.298 -0.529 -1.154) 1.816 10.321 ( 2.948 12.395 1.760) 12.862 10.386 ( 2.904 11.389 -1.288) 11.823 10.537 ( -1.944 10.312 3.747) 11.143 10.688 ( -6.194 7.088 -3.198) 9.941 25.393 ( 0.287 21.185 0.480) 21.193 25.421 ( -0.857 21.089 -0.808) 21.122 25.458 ( -0.900 21.254 0.154) 21.274 25.465 ( -1.358 20.431 -0.144) 20.477 27.010 ( 6.702 -2.613 0.467) 7.209 27.033 ( 6.970 -3.557 -0.615) 7.849 27.297 ( -5.404 -1.980 0.514) 5.778 27.312 ( -5.010 -2.543 -0.179) 5.622 27.827 ( 6.739 6.211 1.620) 9.307 27.913 ( 7.816 4.366 -2.411) 9.272 28.168 ( -5.930 5.454 2.783) 8.524 28.282 ( -6.317 2.948 -2.457) 7.391 48.919 ( -0.025 -12.385 0.375) 12.390 48.930 ( -0.515 -12.382 0.062) 12.393 48.979 ( 0.472 -13.867 0.365) 13.879 49.000 ( -0.472 -13.988 -0.479) 14.005 90.460 ( 4.029 11.473 1.520) 12.254 90.540 ( 2.760 11.213 -2.359) 11.786 90.947 ( -0.208 6.956 6.492) 9.517 91.242 ( -10.765 -0.130 -7.253) 12.981 93.623 ( 0.823 13.760 -1.208) 13.837 93.642 ( -0.108 13.945 -2.162) 14.112 94.001 ( 0.312 8.892 2.661) 9.287 94.103 ( -4.506 9.481 -2.411) 10.771 ======================= Grid point 213 (76/112) ======================= q-point: (-0.50 0.33 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.322 ( -3.353 4.850 -2.812) 6.532 1.322 ( 3.353 4.850 -2.812) 6.532 1.491 ( -4.602 3.113 -2.884) 6.260 1.491 ( 4.602 3.113 -2.884) 6.260 1.759 ( -3.357 4.110 -1.279) 5.459 1.759 ( 3.357 4.110 -1.279) 5.459 1.979 ( -0.954 6.124 -3.368) 7.054 1.979 ( 0.954 6.124 -3.368) 7.054 2.249 ( -3.514 2.306 1.961) 4.638 2.249 ( 3.514 2.306 1.961) 4.638 2.533 ( -3.526 2.798 4.434) 6.318 2.533 ( 3.526 2.798 4.434) 6.318 2.830 ( -2.095 0.017 0.742) 2.222 2.830 ( 2.095 0.017 0.742) 2.222 3.086 ( -2.191 -5.747 0.625) 6.182 3.086 ( 2.191 -5.747 0.625) 6.182 3.196 ( -0.746 -5.150 -2.114) 5.617 3.196 ( 0.746 -5.150 -2.114) 5.617 3.471 ( -0.556 -5.916 1.088) 6.041 3.471 ( 0.556 -5.916 1.088) 6.041 4.322 ( -1.297 -2.518 1.346) 3.136 4.322 ( 1.297 -2.518 1.346) 3.136 4.393 ( -0.743 -3.761 0.462) 3.862 4.393 ( 0.743 -3.761 0.462) 3.862 4.625 ( -2.168 6.528 0.814) 6.927 4.625 ( 2.168 6.528 0.814) 6.927 4.784 ( -3.934 3.416 -3.247) 6.139 4.784 ( 3.934 3.416 -3.247) 6.139 9.188 ( -0.882 1.170 -0.283) 1.493 9.188 ( 0.882 1.170 -0.283) 1.493 9.337 ( -1.219 -0.848 -0.521) 1.573 9.337 ( 1.219 -0.848 -0.521) 1.573 10.387 ( -2.727 12.113 1.464) 12.502 10.387 ( 2.727 12.113 1.464) 12.502 10.566 ( -4.720 9.418 -0.808) 10.566 10.566 ( 4.720 9.418 -0.808) 10.566 25.404 ( -0.713 21.420 -0.059) 21.432 25.404 ( 0.713 21.420 -0.059) 21.432 25.448 ( -0.129 20.665 -0.055) 20.666 25.448 ( 0.129 20.665 -0.055) 20.666 27.142 ( -2.820 -2.343 -0.123) 3.668 27.142 ( 2.820 -2.343 -0.123) 3.668 27.202 ( -2.547 -3.574 0.217) 4.394 27.202 ( 2.547 -3.574 0.217) 4.394 27.974 ( -5.703 6.355 1.097) 8.609 27.974 ( 5.703 6.355 1.097) 8.609 28.135 ( -6.324 3.147 -1.382) 7.197 28.135 ( 6.324 3.147 -1.382) 7.197 48.921 ( -0.246 -12.254 0.219) 12.259 48.921 ( 0.246 -12.254 0.219) 12.259 48.989 ( -0.520 -14.045 -0.069) 14.055 48.989 ( 0.520 -14.045 -0.069) 14.055 90.539 ( -2.776 11.741 0.791) 12.091 90.539 ( 2.776 11.741 0.791) 12.091 91.031 ( -8.149 3.679 -1.504) 9.067 91.031 ( 8.149 3.679 -1.504) 9.067 93.636 ( -0.462 13.939 -1.535) 14.031 93.636 ( 0.462 13.939 -1.535) 14.031 94.028 ( -2.424 9.831 0.387) 10.133 94.028 ( 2.424 9.831 0.387) 10.133 ======================= Grid point 217 (77/112) ======================= q-point: ( 0.00 0.42 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.450 ( 0.000 7.359 3.047) 7.964 1.503 ( 0.000 5.362 0.305) 5.371 1.608 ( 0.000 -1.059 6.677) 6.761 1.697 ( 0.000 -2.486 0.512) 2.538 1.725 ( 0.000 0.221 2.127) 2.138 1.790 ( 0.000 -2.083 -4.638) 5.084 2.103 ( 0.000 8.534 0.047) 8.534 2.112 ( 0.000 8.362 0.063) 8.362 2.259 ( 0.000 -0.746 -5.036) 5.091 2.263 ( 0.000 3.848 -3.935) 5.504 2.406 ( 0.000 2.451 0.525) 2.506 2.482 ( 0.000 -7.503 -3.906) 8.459 2.692 ( 0.000 -1.187 3.811) 3.992 2.785 ( 0.000 -3.658 0.634) 3.712 2.998 ( 0.000 -0.491 -1.555) 1.631 3.071 ( 0.000 -3.559 -4.147) 5.465 3.270 ( 0.000 -2.453 0.617) 2.529 3.292 ( 0.000 -3.139 -0.530) 3.183 3.362 ( 0.000 -1.048 3.932) 4.069 3.407 ( 0.000 -2.831 1.712) 3.308 4.180 ( 0.000 -2.521 2.693) 3.689 4.215 ( 0.000 -4.189 2.475) 4.865 4.272 ( 0.000 -1.685 -1.068) 1.995 4.300 ( 0.000 -2.783 -0.842) 2.907 4.612 ( 0.000 1.975 -0.903) 2.171 4.618 ( 0.000 1.832 -1.180) 2.180 4.907 ( 0.000 6.476 -0.151) 6.478 4.986 ( 0.000 2.840 -3.748) 4.703 9.171 ( 0.000 1.295 0.093) 1.298 9.191 ( 0.000 0.347 -0.743) 0.820 9.368 ( 0.000 2.491 1.360) 2.838 9.409 ( 0.000 0.633 -0.578) 0.857 10.454 ( 0.000 6.336 0.119) 6.337 10.458 ( 0.000 5.998 -0.065) 5.998 10.758 ( 0.000 5.534 2.932) 6.262 10.873 ( 0.000 -0.407 -2.328) 2.364 25.733 ( 0.000 12.385 0.531) 12.396 25.762 ( 0.000 10.865 -0.859) 10.899 25.845 ( 0.000 12.959 0.158) 12.959 25.849 ( 0.000 12.599 0.003) 12.599 26.804 ( 0.000 -1.561 0.100) 1.565 26.806 ( 0.000 -1.671 -0.032) 1.671 27.396 ( 0.000 -0.982 0.229) 1.009 27.399 ( 0.000 -1.133 0.068) 1.136 27.772 ( 0.000 3.077 0.118) 3.079 27.778 ( 0.000 2.791 -0.189) 2.798 28.407 ( 0.000 3.935 1.272) 4.136 28.462 ( 0.000 1.226 -1.250) 1.751 48.712 ( 0.000 -7.561 0.349) 7.569 48.725 ( 0.000 -8.204 -0.281) 8.209 48.763 ( 0.000 -6.964 0.606) 6.990 48.786 ( 0.000 -8.165 -0.485) 8.179 90.536 ( 0.000 6.232 0.716) 6.273 90.587 ( 0.000 4.501 -1.862) 4.870 91.132 ( 0.000 3.908 6.379) 7.481 91.369 ( 0.000 -8.035 -4.672) 9.295 93.852 ( 0.000 10.553 -0.102) 10.554 93.895 ( 0.000 9.925 -2.175) 10.161 94.156 ( 0.000 6.785 2.865) 7.365 94.324 ( 0.000 0.827 -5.273) 5.338 ======================= Grid point 218 (78/112) ======================= q-point: ( 0.17 0.42 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 216 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.450 ( -0.637 6.613 2.877) 7.240 1.496 ( -0.943 3.030 1.828) 3.662 1.579 ( -2.580 1.596 1.708) 3.482 1.671 ( -2.711 0.611 -1.962) 3.402 1.715 ( 1.595 -1.081 1.369) 2.363 1.829 ( 1.958 -1.686 -3.945) 4.716 2.088 ( -1.194 6.619 0.305) 6.732 2.128 ( 0.813 9.132 -1.063) 9.230 2.214 ( -2.680 0.174 -3.400) 4.333 2.282 ( 1.598 3.681 -2.874) 4.936 2.411 ( 1.120 0.098 1.567) 1.928 2.516 ( 2.293 -6.795 -3.053) 7.794 2.709 ( 1.668 -1.000 4.469) 4.874 2.808 ( 1.927 -4.273 1.473) 4.913 2.986 ( -1.135 0.342 -1.109) 1.623 3.068 ( -0.394 -3.113 -3.812) 4.937 3.235 ( -3.186 -2.072 0.808) 3.885 3.278 ( -1.597 -1.425 -1.145) 2.427 3.339 ( -1.646 -3.547 3.738) 5.409 3.389 ( -1.450 -4.041 1.338) 4.497 4.197 ( 1.678 -2.057 2.466) 3.624 4.245 ( 2.439 -4.009 2.084) 5.135 4.281 ( 0.861 -1.448 -0.988) 1.953 4.312 ( 0.947 -2.571 -0.480) 2.782 4.626 ( 1.394 2.400 -0.662) 2.854 4.643 ( 2.299 1.530 -1.456) 3.122 4.884 ( -2.121 6.008 -0.030) 6.372 4.965 ( -1.968 2.211 -3.654) 4.702 9.180 ( 0.852 1.589 0.096) 1.805 9.203 ( 1.055 0.558 -0.913) 1.503 9.356 ( -1.103 2.182 1.267) 2.753 9.396 ( -1.227 0.424 -0.629) 1.443 10.469 ( 1.720 6.819 0.611) 7.059 10.493 ( 2.745 5.735 -0.510) 6.379 10.740 ( -1.687 5.662 2.786) 6.532 10.846 ( -2.507 0.307 -2.072) 3.267 25.734 ( 0.120 12.477 0.481) 12.487 25.760 ( -0.131 11.176 -0.776) 11.204 25.832 ( -1.171 12.810 0.127) 12.864 25.835 ( -1.257 12.575 0.019) 12.638 26.848 ( 4.061 -1.687 0.143) 4.399 26.852 ( 4.241 -1.966 -0.069) 4.675 27.360 ( -3.343 -1.150 0.238) 3.543 27.364 ( -3.313 -1.339 0.070) 3.574 27.812 ( 4.077 3.607 0.538) 5.470 27.838 ( 5.177 2.381 -0.659) 5.736 28.370 ( -3.503 3.976 1.318) 5.460 28.427 ( -3.356 1.182 -1.292) 3.786 48.713 ( 0.114 -7.457 0.341) 7.466 48.727 ( 0.123 -8.018 -0.307) 8.025 48.759 ( -0.324 -7.176 0.601) 7.208 48.782 ( -0.429 -8.234 -0.459) 8.258 90.564 ( 2.636 6.393 0.862) 6.969 90.622 ( 3.231 4.511 -2.061) 5.920 91.092 ( -3.589 3.328 5.975) 7.724 91.312 ( -5.274 -7.439 -4.334) 10.097 93.865 ( 1.135 10.983 -0.075) 11.041 93.908 ( 1.127 10.788 -2.328) 11.093 94.148 ( -0.684 6.138 2.729) 6.752 94.295 ( -2.580 1.480 -4.496) 5.390 ======================= Grid point 219 (79/112) ======================= q-point: ( 0.33 0.42 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 216 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.421 ( -1.282 5.472 0.536) 5.645 1.471 ( -1.623 2.238 -0.399) 2.793 1.508 ( -2.604 3.016 -0.512) 4.018 1.610 ( -3.853 -1.105 -3.568) 5.367 1.776 ( 3.894 3.991 -0.605) 5.608 1.864 ( 1.355 2.160 -4.944) 5.563 2.049 ( -1.910 2.336 -0.534) 3.065 2.112 ( -2.965 2.805 -3.863) 5.620 2.217 ( 3.627 4.963 2.212) 6.533 2.319 ( 1.030 3.117 -1.274) 3.521 2.459 ( 3.143 -1.855 3.447) 5.020 2.548 ( 0.317 -5.670 -0.727) 5.725 2.762 ( 3.493 -0.207 4.665) 5.831 2.860 ( 2.939 -3.823 1.681) 5.107 2.947 ( -2.572 0.107 1.244) 2.859 3.048 ( -2.062 -3.076 -1.937) 4.179 3.157 ( -3.098 -1.143 -0.031) 3.303 3.215 ( -3.856 0.941 -1.655) 4.301 3.321 ( 0.003 -7.054 1.951) 7.319 3.357 ( -1.445 -6.014 0.782) 6.235 4.243 ( 2.424 -1.177 1.829) 3.257 4.297 ( 1.875 -3.523 1.390) 4.226 4.299 ( 0.768 -0.870 -0.486) 1.258 4.328 ( 0.399 -2.235 0.168) 2.277 4.670 ( 2.714 3.149 -0.336) 4.171 4.710 ( 3.747 1.333 -2.117) 4.505 4.826 ( -3.041 4.485 0.201) 5.423 4.905 ( -3.607 0.902 -3.259) 4.944 9.206 ( 1.497 2.354 0.017) 2.790 9.229 ( 1.219 1.625 -1.128) 2.323 9.329 ( -1.221 0.934 0.960) 1.813 9.361 ( -1.915 -0.162 -0.640) 2.026 10.522 ( 3.216 7.403 1.080) 8.143 10.564 ( 3.658 5.835 -0.882) 6.943 10.693 ( -2.520 5.528 2.372) 6.522 10.775 ( -4.064 1.833 -1.453) 4.689 25.740 ( 0.550 12.687 0.348) 12.703 25.760 ( 0.108 11.932 -0.578) 11.946 25.800 ( -1.652 12.400 0.171) 12.511 25.805 ( -1.458 12.418 -0.064) 12.503 26.964 ( 6.685 -1.818 0.240) 6.932 26.972 ( 6.794 -2.360 -0.141) 7.194 27.260 ( -6.020 -1.544 0.288) 6.222 27.266 ( -5.888 -1.895 0.033) 6.185 27.935 ( 7.237 4.241 0.934) 8.440 27.980 ( 7.944 2.097 -1.187) 8.301 28.264 ( -6.348 3.926 1.408) 7.596 28.324 ( -6.373 1.082 -1.329) 6.599 48.717 ( 0.273 -7.177 0.306) 7.188 48.729 ( -0.020 -7.281 -0.224) 7.284 48.753 ( -0.124 -8.003 0.424) 8.016 48.770 ( -0.645 -8.408 -0.357) 8.441 90.643 ( 4.609 7.045 1.139) 8.496 90.710 ( 4.440 5.600 -2.325) 7.515 91.002 ( -3.923 0.589 4.600) 6.074 91.165 ( -8.158 -6.027 -3.179) 10.629 93.896 ( 1.739 12.199 -0.247) 12.325 93.932 ( 0.767 12.869 -2.225) 13.082 94.138 ( 0.072 4.257 1.913) 4.668 94.228 ( -3.484 2.534 -2.641) 5.053 ======================= Grid point 220 (80/112) ======================= q-point: (-0.50 0.42 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.422 ( -1.594 4.870 -1.667) 5.388 1.422 ( 1.594 4.870 -1.667) 5.388 1.526 ( -3.279 0.266 -2.417) 4.082 1.526 ( 3.279 0.266 -2.417) 4.082 1.854 ( -2.722 5.511 -2.669) 6.701 1.854 ( 2.722 5.511 -2.669) 6.701 2.049 ( -2.178 -0.266 -2.692) 3.473 2.049 ( 2.178 -0.266 -2.692) 3.473 2.299 ( -2.992 3.851 1.600) 5.133 2.299 ( 2.992 3.851 1.600) 5.133 2.523 ( -2.505 -3.605 2.239) 4.928 2.523 ( 2.505 -3.605 2.239) 4.928 2.849 ( -4.228 1.561 2.576) 5.191 2.849 ( 4.228 1.561 2.576) 5.192 2.966 ( -4.702 -5.454 2.006) 7.475 2.966 ( 4.702 -5.454 2.006) 7.475 3.148 ( -1.945 0.676 -2.374) 3.143 3.148 ( 1.945 0.676 -2.374) 3.143 3.332 ( -0.904 -7.144 0.880) 7.254 3.332 ( 0.904 -7.144 0.880) 7.254 4.287 ( -1.535 -0.732 0.895) 1.922 4.287 ( 1.535 -0.732 0.895) 1.922 4.327 ( -0.593 -2.568 0.538) 2.690 4.327 ( 0.593 -2.568 0.538) 2.690 4.733 ( -2.763 4.147 -0.559) 5.014 4.733 ( 2.763 4.147 -0.559) 5.014 4.822 ( -3.787 0.138 -2.131) 4.348 4.822 ( 3.787 0.138 -2.131) 4.348 9.235 ( -0.919 3.114 -0.461) 3.279 9.235 ( 0.919 3.114 -0.461) 3.279 9.325 ( -1.130 -0.734 -0.086) 1.350 9.325 ( 1.130 -0.734 -0.086) 1.350 10.589 ( -2.424 7.785 0.873) 8.200 10.589 ( 2.424 7.785 0.873) 8.200 10.689 ( -3.388 3.021 -0.243) 4.545 10.689 ( 3.388 3.021 -0.243) 4.545 25.757 ( -0.796 12.952 0.011) 12.977 25.757 ( 0.796 12.952 0.011) 12.977 25.782 ( -0.425 11.852 -0.068) 11.860 25.782 ( 0.425 11.852 -0.068) 11.860 27.104 ( -1.972 -1.323 -0.065) 2.376 27.104 ( 1.972 -1.323 -0.065) 2.376 27.136 ( -1.879 -2.829 0.286) 3.408 27.136 ( 1.879 -2.829 0.286) 3.408 28.090 ( -5.426 4.913 0.473) 7.336 28.090 ( 5.426 4.913 0.473) 7.336 28.176 ( -5.736 0.803 -0.579) 5.821 28.176 ( 5.736 0.803 -0.579) 5.821 48.724 ( -0.362 -6.878 0.159) 6.890 48.724 ( 0.362 -6.878 0.159) 6.890 48.757 ( -0.502 -8.553 -0.092) 8.568 48.757 ( 0.502 -8.553 -0.092) 8.568 90.735 ( -3.032 8.303 0.271) 8.843 90.735 ( 3.032 8.303 0.271) 8.843 91.007 ( -5.407 -4.587 -0.197) 7.093 91.007 ( 5.407 -4.587 -0.197) 7.093 93.929 ( -1.067 13.532 -1.090) 13.618 93.929 ( 1.067 13.532 -1.090) 13.618 94.163 ( -2.379 2.986 -0.283) 3.828 94.163 ( 2.379 2.986 -0.283) 3.828 ======================= Grid point 224 (81/112) ======================= q-point: ( 0.00 -0.50 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 88 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.550 ( 0.000 -1.684 2.084) 2.679 1.550 ( 0.000 1.684 2.084) 2.679 1.627 ( 0.000 -3.080 3.457) 4.630 1.627 ( 0.000 3.080 3.457) 4.630 1.740 ( 0.000 -2.164 -2.522) 3.323 1.740 ( 0.000 2.164 -2.522) 3.323 2.225 ( 0.000 -2.375 -0.572) 2.443 2.225 ( 0.000 2.375 -0.572) 2.443 2.302 ( 0.000 -9.544 -2.577) 9.886 2.302 ( 0.000 9.544 -2.577) 9.886 2.370 ( 0.000 -5.607 -2.661) 6.206 2.370 ( 0.000 5.607 -2.661) 6.206 2.704 ( 0.000 -3.210 3.967) 5.103 2.704 ( 0.000 3.210 3.967) 5.103 3.011 ( 0.000 -1.938 -4.291) 4.708 3.011 ( 0.000 1.938 -4.291) 4.708 3.249 ( 0.000 -0.729 0.912) 1.168 3.249 ( 0.000 0.730 0.912) 1.168 3.373 ( 0.000 -1.158 2.586) 2.834 3.373 ( 0.000 1.158 2.586) 2.834 4.160 ( 0.000 -0.870 3.042) 3.164 4.160 ( 0.000 0.870 3.042) 3.164 4.264 ( 0.000 -0.742 -1.737) 1.889 4.264 ( 0.000 0.742 -1.737) 1.889 4.633 ( 0.000 -0.169 -1.021) 1.035 4.633 ( 0.000 0.169 -1.021) 1.035 4.992 ( 0.000 -2.041 -2.179) 2.986 4.992 ( 0.000 2.041 -2.179) 2.986 9.192 ( 0.000 -0.500 -0.020) 0.501 9.192 ( 0.000 0.500 -0.020) 0.501 9.406 ( 0.000 -1.051 0.243) 1.079 9.406 ( 0.000 1.051 0.243) 1.079 10.519 ( 0.000 -0.066 0.009) 0.066 10.519 ( 0.000 0.066 0.009) 0.066 10.841 ( 0.000 -2.812 0.359) 2.835 10.841 ( 0.000 2.812 0.359) 2.835 25.868 ( 0.000 -0.702 -0.054) 0.705 25.868 ( 0.000 0.702 -0.054) 0.705 25.980 ( 0.000 -0.070 0.029) 0.075 25.980 ( 0.000 0.070 0.029) 0.075 26.787 ( 0.000 -0.079 0.049) 0.093 26.787 ( 0.000 0.079 0.049) 0.093 27.385 ( 0.000 -0.096 0.150) 0.178 27.385 ( 0.000 0.096 0.150) 0.178 27.805 ( 0.000 -0.164 0.030) 0.167 27.805 ( 0.000 0.164 0.030) 0.167 28.461 ( 0.000 -1.399 -0.051) 1.400 28.461 ( 0.000 1.399 -0.051) 1.400 48.637 ( 0.000 -0.346 0.033) 0.348 48.637 ( 0.000 0.346 0.033) 0.348 48.697 ( 0.000 -0.589 0.037) 0.591 48.697 ( 0.000 0.589 0.037) 0.591 90.615 ( 0.000 -1.503 -0.135) 1.509 90.615 ( 0.000 1.503 -0.135) 1.509 91.225 ( 0.000 -5.941 0.561) 5.968 91.225 ( 0.000 5.941 0.561) 5.968 93.982 ( 0.000 -1.585 0.067) 1.586 93.982 ( 0.000 1.585 0.067) 1.586 94.279 ( 0.000 -4.920 -1.996) 5.309 94.279 ( 0.000 4.920 -1.996) 5.309 ======================= Grid point 226 (82/112) ======================= q-point: ( 0.17 -0.50 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.518 ( -2.216 -1.195 1.833) 3.114 1.518 ( -2.216 1.195 1.833) 3.114 1.637 ( -0.972 -3.902 2.206) 4.587 1.637 ( -0.972 3.902 2.206) 4.587 1.756 ( 2.696 -4.778 -3.183) 6.343 1.756 ( 2.696 4.778 -3.183) 6.343 2.192 ( -3.401 -2.605 -2.561) 4.991 2.192 ( -3.401 2.605 -2.561) 4.991 2.310 ( 1.471 -8.584 -0.225) 8.712 2.310 ( 1.471 8.584 -0.225) 8.712 2.389 ( 1.499 -6.397 -2.251) 6.945 2.389 ( 1.499 6.397 -2.251) 6.945 2.721 ( 1.658 -3.019 4.723) 5.845 2.721 ( 1.658 3.019 4.723) 5.845 3.015 ( 0.018 -2.075 -3.603) 4.158 3.015 ( 0.018 2.075 -3.603) 4.158 3.230 ( -1.615 -1.719 1.106) 2.605 3.230 ( -1.615 1.719 1.106) 2.605 3.337 ( -3.171 -1.625 1.805) 3.994 3.337 ( -3.171 1.625 1.805) 3.994 4.188 ( 2.389 -1.252 2.656) 3.786 4.188 ( 2.389 1.252 2.656) 3.786 4.278 ( 1.123 -0.831 -1.387) 1.969 4.278 ( 1.123 0.831 -1.387) 1.969 4.653 ( 1.895 -0.414 -0.995) 2.180 4.653 ( 1.895 0.414 -0.995) 2.180 4.965 ( -2.568 -2.086 -2.067) 3.901 4.965 ( -2.568 2.086 -2.067) 3.901 9.205 ( 1.234 -0.584 -0.093) 1.368 9.205 ( 1.234 0.584 -0.093) 1.368 9.391 ( -1.445 -1.037 0.146) 1.785 9.391 ( -1.445 1.037 0.146) 1.785 10.544 ( 2.340 -0.631 0.067) 2.424 10.544 ( 2.340 0.631 0.067) 2.424 10.822 ( -1.743 -2.622 0.365) 3.169 10.822 ( -1.743 2.622 0.365) 3.169 25.869 ( 0.183 -0.655 -0.051) 0.682 25.869 ( 0.183 0.655 -0.051) 0.682 25.965 ( -1.299 -0.060 0.021) 1.300 25.965 ( -1.299 0.060 0.021) 1.300 26.830 ( 3.984 -0.101 0.060) 3.986 26.830 ( 3.984 0.101 0.060) 3.986 27.348 ( -3.506 -0.093 0.154) 3.511 27.348 ( -3.506 0.093 0.154) 3.511 27.856 ( 4.686 -0.664 0.018) 4.732 27.856 ( 4.686 0.664 0.018) 4.732 28.425 ( -3.438 -1.446 -0.050) 3.730 28.425 ( -3.438 1.446 -0.050) 3.730 48.640 ( 0.244 -0.372 0.030) 0.446 48.640 ( 0.244 0.372 0.030) 0.446 48.691 ( -0.499 -0.587 0.033) 0.772 48.691 ( -0.499 0.587 0.033) 0.772 90.648 ( 3.082 -1.734 -0.105) 3.538 90.648 ( 3.082 1.734 -0.105) 3.538 91.176 ( -4.526 -5.596 0.474) 7.213 91.176 ( -4.526 5.596 0.474) 7.213 94.003 ( 1.937 -1.821 -0.012) 2.659 94.003 ( 1.937 1.821 -0.012) 2.659 94.259 ( -1.864 -4.574 -1.751) 5.241 94.259 ( -1.864 4.574 -1.751) 5.241 ======================= Grid point 228 (83/112) ======================= q-point: ( 0.33 -0.50 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.483 ( -0.669 -1.189 0.030) 1.365 1.483 ( -0.669 1.189 0.030) 1.365 1.575 ( -4.016 -2.767 -0.735) 4.932 1.575 ( -4.016 2.767 -0.735) 4.932 1.852 ( 5.629 -3.079 -2.663) 6.947 1.852 ( 5.629 3.079 -2.663) 6.947 2.095 ( -5.483 -2.491 -3.158) 6.800 2.095 ( -5.483 2.491 -3.158) 6.800 2.360 ( 2.857 -7.305 1.082) 7.918 2.360 ( 2.857 7.305 1.082) 7.918 2.419 ( 0.890 -6.471 -1.026) 6.612 2.419 ( 0.890 6.471 -1.026) 6.612 2.779 ( 4.049 -2.481 5.278) 7.100 2.779 ( 4.049 2.481 5.278) 7.100 2.989 ( -3.076 -2.731 -0.281) 4.123 2.989 ( -3.076 2.731 -0.281) 4.123 3.198 ( -0.871 -4.466 0.368) 4.564 3.198 ( -0.871 4.466 0.368) 4.564 3.263 ( -3.365 -3.346 -0.256) 4.753 3.263 ( -3.365 3.346 -0.256) 4.753 4.246 ( 2.772 -1.427 1.769) 3.585 4.246 ( 2.772 1.427 1.769) 3.585 4.299 ( 0.540 -0.716 -0.453) 1.004 4.299 ( 0.540 0.716 -0.453) 1.004 4.711 ( 3.551 -1.026 -1.086) 3.853 4.711 ( 3.551 1.026 -1.086) 3.853 4.891 ( -4.225 -2.075 -1.775) 5.031 4.891 ( -4.225 2.075 -1.775) 5.031 9.242 ( 2.219 -0.744 -0.216) 2.351 9.242 ( 2.219 0.744 -0.216) 2.351 9.349 ( -2.423 -0.986 -0.066) 2.616 9.349 ( -2.423 0.986 -0.066) 2.616 10.610 ( 3.771 -1.178 0.194) 3.955 10.610 ( 3.771 1.178 0.194) 3.955 10.770 ( -3.178 -2.173 0.360) 3.867 10.770 ( -3.178 2.173 0.360) 3.867 25.877 ( 0.629 -0.530 -0.041) 0.823 25.877 ( 0.629 0.530 -0.041) 0.823 25.931 ( -1.768 -0.170 0.000) 1.776 25.931 ( -1.768 0.170 0.000) 1.776 26.945 ( 6.704 -0.169 0.091) 6.707 26.945 ( 6.704 0.169 0.091) 6.707 27.244 ( -6.233 -0.118 0.152) 6.236 27.244 ( -6.233 0.118 0.152) 6.236 27.990 ( 7.748 -1.178 -0.006) 7.837 27.990 ( 7.748 1.178 -0.006) 7.837 28.320 ( -6.474 -1.518 -0.044) 6.650 28.320 ( -6.474 1.518 -0.044) 6.650 48.648 ( 0.517 -0.440 0.025) 0.679 48.648 ( 0.517 0.440 0.025) 0.679 48.677 ( -0.772 -0.569 0.026) 0.959 48.677 ( -0.772 0.569 0.026) 0.959 90.743 ( 5.866 -2.421 -0.024) 6.346 90.743 ( 5.866 2.421 -0.024) 6.346 91.047 ( -7.318 -4.671 0.284) 8.686 91.047 ( -7.318 4.671 0.284) 8.686 94.059 ( 3.234 -2.353 -0.245) 4.007 94.059 ( 3.234 2.353 -0.245) 4.007 94.205 ( -3.142 -3.801 -1.196) 5.074 94.205 ( -3.142 3.801 -1.196) 5.074 ======================= Grid point 230 (84/112) ======================= q-point: (-0.50 -0.50 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.501 ( -1.851 -2.576 -1.371) 3.456 1.501 ( 0.146 -2.406 -1.371) 2.773 1.501 ( -0.146 2.406 -1.371) 2.773 1.501 ( 1.851 2.576 -1.371) 3.456 1.974 ( -4.241 -5.559 -2.874) 7.559 1.974 ( -0.365 -5.142 -2.874) 5.902 1.974 ( 0.365 5.142 -2.874) 5.902 1.974 ( 4.241 5.559 -2.874) 7.559 2.412 ( -1.651 -6.577 0.635) 6.811 2.412 ( 1.649 -6.577 0.635) 6.810 2.412 ( -1.649 6.577 0.635) 6.810 2.412 ( 1.651 6.577 0.635) 6.811 2.888 ( -5.757 -2.503 3.685) 7.280 2.888 ( -3.111 0.631 3.685) 4.864 2.888 ( 3.111 -0.631 3.685) 4.864 2.888 ( 5.757 2.503 3.685) 7.280 3.208 ( -1.724 -4.865 -1.093) 5.276 3.208 ( 1.724 -4.865 -1.093) 5.276 3.208 ( -1.724 4.865 -1.093) 5.276 3.208 ( 1.724 4.865 -1.093) 5.276 4.291 ( -1.309 -1.021 0.698) 1.801 4.291 ( 0.875 -0.897 0.698) 1.435 4.291 ( -0.875 0.897 0.698) 1.435 4.291 ( 1.309 1.021 0.698) 1.801 4.797 ( -4.195 -2.195 -1.400) 4.937 4.797 ( -1.438 -0.966 -1.400) 2.228 4.797 ( 1.438 0.967 -1.400) 2.228 4.797 ( 4.195 2.195 -1.400) 4.937 9.294 ( -1.883 -2.228 -0.223) 2.926 9.294 ( -0.528 -2.036 -0.223) 2.115 9.294 ( 0.528 2.036 -0.223) 2.115 9.294 ( 1.883 2.228 -0.223) 2.926 10.693 ( -3.532 -2.355 0.306) 4.256 10.693 ( -0.658 -1.592 0.306) 1.749 10.693 ( 0.658 1.592 0.306) 1.750 10.693 ( 3.532 2.355 0.306) 4.256 25.898 ( -1.178 -0.573 -0.024) 1.310 25.898 ( -0.664 -0.302 -0.024) 0.729 25.898 ( 0.664 0.302 -0.024) 0.729 25.898 ( 1.178 0.573 -0.024) 1.310 27.097 ( -7.308 -0.327 0.129) 7.316 27.097 ( -7.278 -0.006 0.129) 7.279 27.097 ( 7.278 0.006 0.129) 7.279 27.097 ( 7.308 0.327 0.129) 7.316 28.162 ( -7.911 -1.876 -0.029) 8.131 28.162 ( -7.005 0.371 -0.029) 7.015 28.162 ( 7.005 -0.371 -0.029) 7.015 28.162 ( 7.911 1.876 -0.029) 8.131 48.661 ( -0.606 -0.789 0.022) 0.995 48.661 ( 0.167 -0.733 0.022) 0.752 48.661 ( -0.167 0.733 0.022) 0.752 48.661 ( 0.606 0.789 0.022) 0.995 90.887 ( -5.889 -6.481 0.104) 8.757 90.887 ( -0.412 -5.777 0.104) 5.793 90.887 ( 0.412 5.777 0.104) 5.793 90.887 ( 5.889 6.481 0.104) 8.757 94.133 ( -2.434 -5.960 -0.643) 6.470 94.133 ( 0.800 -5.848 -0.643) 5.937 94.133 ( -0.800 5.848 -0.643) 5.937 94.133 ( 2.434 5.960 -0.643) 6.470 ======================= Grid point 273 (85/112) ======================= q-point: ( 0.00 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 56 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.911 ( 0.000 0.000 -8.841) 8.841 0.911 ( 0.000 0.000 8.841) 8.841 0.962 ( 0.000 0.000 -12.729) 12.729 0.962 ( 0.000 0.000 12.729) 12.729 1.366 ( 0.000 0.000 -6.049) 6.049 1.366 ( 0.000 0.000 6.049) 6.049 1.462 ( 0.000 0.000 -4.289) 4.289 1.462 ( 0.000 0.000 4.289) 4.289 2.053 ( 0.000 0.000 -19.783) 19.783 2.053 ( 0.000 0.000 19.783) 19.783 2.703 ( 0.000 0.000 -7.659) 7.659 2.703 ( 0.000 0.000 7.659) 7.659 2.800 ( 0.000 0.000 -0.589) 0.589 2.800 ( 0.000 0.000 0.589) 0.589 2.844 ( 0.000 0.000 -9.824) 9.824 2.844 ( 0.000 0.000 9.824) 9.824 2.963 ( 0.000 0.000 -3.703) 3.703 2.963 ( 0.000 0.000 3.703) 3.703 3.252 ( 0.000 0.000 -2.270) 2.270 3.252 ( 0.000 0.000 2.270) 2.270 4.123 ( 0.000 0.000 -1.364) 1.364 4.123 ( 0.000 0.000 1.364) 1.364 4.327 ( 0.000 0.000 -2.083) 2.083 4.327 ( 0.000 0.000 2.083) 2.083 4.740 ( 0.000 0.000 -6.895) 6.895 4.740 ( 0.000 0.000 6.895) 6.895 5.541 ( 0.000 0.000 -13.516) 13.516 5.541 ( 0.000 0.000 13.516) 13.516 9.036 ( 0.000 0.000 -1.774) 1.774 9.036 ( 0.000 0.000 1.774) 1.774 9.134 ( 0.000 0.000 -0.336) 0.336 9.134 ( 0.000 0.000 0.336) 0.336 9.608 ( 0.000 0.000 -3.303) 3.303 9.608 ( 0.000 0.000 3.303) 3.303 9.979 ( 0.000 0.000 -1.870) 1.870 9.979 ( 0.000 0.000 1.870) 1.870 23.911 ( 0.000 0.000 -0.417) 0.417 23.911 ( 0.000 0.000 0.417) 0.417 24.026 ( 0.000 0.000 -1.541) 1.541 24.026 ( 0.000 0.000 1.541) 1.541 27.004 ( 0.000 0.000 -0.168) 0.168 27.004 ( 0.000 0.000 0.168) 0.168 27.258 ( 0.000 0.000 -1.294) 1.294 27.258 ( 0.000 0.000 1.294) 1.294 27.480 ( 0.000 0.000 -0.955) 0.955 27.480 ( 0.000 0.000 0.955) 0.955 28.143 ( 0.000 0.000 -6.891) 6.891 28.143 ( 0.000 0.000 6.891) 6.891 49.737 ( 0.000 0.000 -1.964) 1.964 49.737 ( 0.000 0.000 1.964) 1.964 49.937 ( 0.000 0.000 -0.232) 0.232 49.937 ( 0.000 0.000 0.232) 0.232 89.323 ( 0.000 0.000 -0.206) 0.206 89.323 ( 0.000 0.000 0.206) 0.206 89.331 ( 0.000 0.000 -0.094) 0.094 89.331 ( 0.000 0.000 0.094) 0.094 93.177 ( 0.000 0.000 -0.623) 0.623 93.177 ( 0.000 0.000 0.623) 0.623 94.147 ( 0.000 0.000 -3.307) 3.307 94.147 ( 0.000 0.000 3.307) 3.307 ======================= Grid point 275 (86/112) ======================= q-point: ( 0.17 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.953 ( 3.588 0.000 -9.773) 10.411 0.953 ( 3.588 0.000 9.773) 10.411 0.994 ( 2.947 0.000 -11.901) 12.261 0.994 ( 2.947 0.000 11.901) 12.261 1.345 ( -1.957 0.000 -6.252) 6.551 1.345 ( -1.957 0.000 6.252) 6.551 1.434 ( -2.300 0.000 -1.899) 2.982 1.434 ( -2.300 0.000 1.899) 2.982 2.074 ( 1.273 0.000 -12.747) 12.811 2.074 ( 1.273 0.000 12.747) 12.811 2.520 ( -10.112 0.000 -6.660) 12.108 2.520 ( -10.112 0.000 6.660) 12.108 2.807 ( 0.644 0.000 -0.772) 1.005 2.807 ( 0.644 0.000 0.772) 1.005 2.961 ( -0.124 0.000 -3.344) 3.347 2.961 ( -0.124 0.000 3.344) 3.347 2.963 ( 4.570 0.000 -5.771) 7.361 2.963 ( 4.570 0.000 5.771) 7.361 3.309 ( 5.027 0.000 -3.207) 5.962 3.309 ( 5.027 0.000 3.207) 5.962 4.105 ( -0.405 0.000 -4.181) 4.201 4.105 ( -0.405 0.000 4.181) 4.201 4.380 ( 3.684 0.000 -5.303) 6.457 4.380 ( 3.684 0.000 5.303) 6.457 4.783 ( 3.792 0.000 -8.996) 9.762 4.783 ( 3.792 0.000 8.996) 9.762 5.451 ( -7.990 0.000 -13.450) 15.644 5.451 ( -7.990 0.000 13.450) 15.644 9.039 ( 0.315 0.000 -1.625) 1.656 9.039 ( 0.315 0.000 1.625) 1.656 9.130 ( -0.293 0.000 -0.435) 0.525 9.130 ( -0.293 0.000 0.435) 0.525 9.607 ( -0.141 0.000 -2.986) 2.989 9.607 ( -0.141 0.000 2.986) 2.989 9.959 ( -1.656 0.000 -2.865) 3.309 9.959 ( -1.656 0.000 2.865) 3.309 23.915 ( 0.421 0.000 -0.497) 0.652 23.915 ( 0.421 0.000 0.497) 0.652 24.020 ( -0.484 0.000 -1.478) 1.556 24.020 ( -0.484 0.000 1.478) 1.556 27.151 ( 12.660 0.000 -3.864) 13.237 27.151 ( 12.660 0.000 3.864) 13.237 27.270 ( 1.144 0.000 -1.270) 1.709 27.270 ( 1.144 0.000 1.270) 1.709 27.468 ( -1.141 0.000 -0.990) 1.510 27.468 ( -1.141 0.000 0.990) 1.510 28.099 ( -4.165 0.000 -7.196) 8.315 28.099 ( -4.165 0.000 7.196) 8.315 49.731 ( -0.540 0.000 -1.690) 1.774 49.731 ( -0.540 0.000 1.690) 1.774 49.930 ( -0.601 0.000 -0.434) 0.741 49.930 ( -0.601 0.000 0.434) 0.741 89.322 ( -0.109 0.000 -0.238) 0.262 89.322 ( -0.109 0.000 0.238) 0.262 89.330 ( -0.060 0.000 -0.010) 0.061 89.330 ( -0.060 0.000 0.010) 0.061 93.218 ( 3.813 0.000 -1.287) 4.024 93.218 ( 3.813 0.000 1.287) 4.024 94.034 ( -9.673 0.000 -0.657) 9.696 94.034 ( -9.673 0.000 0.657) 9.696 ======================= Grid point 277 (87/112) ======================= q-point: ( 0.33 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.052 ( 5.941 0.000 -10.231) 11.831 1.052 ( 5.941 0.000 10.231) 11.831 1.074 ( 4.338 0.000 -9.687) 10.613 1.074 ( 4.338 0.000 9.687) 10.613 1.287 ( -3.392 0.000 -6.569) 7.393 1.287 ( -3.392 0.000 6.569) 7.393 1.362 ( -5.254 0.000 -4.242) 6.753 1.362 ( -5.254 0.000 4.242) 6.753 2.091 ( 0.999 0.000 -2.972) 3.135 2.091 ( 0.999 0.000 2.972) 3.135 2.356 ( -5.556 0.000 -2.814) 6.228 2.356 ( -5.556 0.000 2.814) 6.228 2.823 ( 0.701 0.000 -0.743) 1.021 2.823 ( 0.701 0.000 0.743) 1.021 2.958 ( -0.182 0.000 -2.140) 2.148 2.958 ( -0.182 0.000 2.140) 2.148 3.021 ( 1.909 0.000 -3.828) 4.278 3.021 ( 1.909 0.000 3.828) 4.278 3.396 ( 1.974 0.000 -3.274) 3.823 3.396 ( 1.974 0.000 3.274) 3.823 4.152 ( 4.971 0.000 -3.774) 6.241 4.152 ( 4.971 0.000 3.774) 6.241 4.432 ( 0.638 0.000 -5.208) 5.247 4.432 ( 0.638 0.000 5.208) 5.247 4.884 ( 5.518 0.000 -12.861) 13.995 4.884 ( 5.518 0.000 12.861) 13.995 5.248 ( -10.252 0.000 -14.278) 17.577 5.248 ( -10.252 0.000 14.278) 17.577 9.047 ( 0.378 0.000 -1.087) 1.150 9.047 ( 0.378 0.000 1.087) 1.150 9.123 ( -0.355 0.000 -0.439) 0.564 9.123 ( -0.355 0.000 0.439) 0.564 9.603 ( -0.142 0.000 -1.854) 1.860 9.603 ( -0.142 0.000 1.854) 1.860 9.924 ( -1.338 0.000 -2.423) 2.768 9.924 ( -1.338 0.000 2.423) 2.768 23.926 ( 0.565 0.000 -0.537) 0.780 23.926 ( 0.565 0.000 0.537) 0.780 24.008 ( -0.629 0.000 -1.113) 1.278 24.008 ( -0.629 0.000 1.113) 1.278 27.302 ( 1.663 0.000 -1.080) 1.983 27.302 ( 1.663 0.000 1.080) 1.983 27.436 ( -1.659 0.000 -0.932) 1.903 27.436 ( -1.659 0.000 0.932) 1.903 27.459 ( 15.204 0.000 -8.197) 17.273 27.459 ( 15.204 0.000 8.197) 17.273 27.969 ( -8.147 0.000 -8.082) 11.475 27.969 ( -8.147 0.000 8.082) 11.475 49.719 ( -0.510 0.000 -0.967) 1.093 49.719 ( -0.510 0.000 0.967) 1.093 49.918 ( -0.452 0.000 -0.434) 0.626 49.918 ( -0.452 0.000 0.434) 0.626 89.319 ( -0.107 0.000 -0.202) 0.228 89.319 ( -0.107 0.000 0.202) 0.228 89.329 ( -0.063 0.000 -0.067) 0.092 89.329 ( -0.063 0.000 0.067) 0.092 93.329 ( 6.416 0.000 -2.217) 6.788 93.329 ( 6.416 0.000 2.217) 6.788 93.802 ( -11.126 0.000 -2.738) 11.458 93.802 ( -11.126 0.000 2.738) 11.458 ======================= Grid point 279 (88/112) ======================= q-point: (-0.50 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 56 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.142 ( 0.000 0.000 0.000) 0.000 1.142 ( 0.000 0.000 0.000) 0.000 1.183 ( 0.000 0.000 0.000) 0.000 1.183 ( 0.000 0.000 0.000) 0.000 1.230 ( 0.000 0.000 -0.000) 0.000 1.230 ( 0.000 0.000 0.000) 0.000 1.232 ( -0.000 0.000 -0.000) 0.000 1.232 ( 0.000 0.000 0.000) 0.000 2.117 ( 0.000 0.000 0.000) 0.000 2.117 ( 0.000 0.000 0.000) 0.000 2.287 ( -0.000 0.000 0.000) 0.000 2.287 ( 0.000 0.000 0.000) 0.000 2.831 ( 0.000 0.000 0.000) 0.000 2.831 ( 0.000 0.000 0.000) 0.000 2.956 ( 0.000 0.000 0.000) 0.000 2.956 ( 0.000 0.000 0.000) 0.000 3.046 ( 0.000 0.000 0.000) 0.000 3.046 ( 0.000 0.000 0.000) 0.000 3.406 ( 0.000 0.000 0.000) 0.000 3.406 ( 0.000 0.000 0.000) 0.000 4.237 ( 0.000 0.000 0.000) 0.000 4.237 ( 0.000 0.000 0.000) 0.000 4.421 ( -0.000 0.000 -0.000) 0.000 4.421 ( 0.000 0.000 0.000) 0.000 4.982 ( 0.000 0.000 -0.000) 0.000 4.982 ( 0.000 0.000 0.000) 0.000 5.092 ( -0.000 0.000 -0.000) 0.000 5.092 ( -0.000 0.000 0.000) 0.000 9.052 ( 0.000 0.000 0.000) 0.000 9.052 ( 0.000 0.000 0.000) 0.000 9.119 ( 0.000 0.000 0.000) 0.000 9.119 ( 0.000 0.000 0.000) 0.000 9.602 ( 0.000 0.000 0.000) 0.000 9.602 ( 0.000 0.000 0.000) 0.000 9.910 ( 0.000 0.000 0.000) 0.000 9.910 ( 0.000 0.000 0.000) 0.000 23.934 ( 0.000 0.000 0.000) 0.000 23.934 ( 0.000 0.000 0.000) 0.000 24.000 ( 0.000 0.000 -0.000) 0.000 24.000 ( 0.000 0.000 0.000) 0.000 27.325 ( -0.000 0.000 0.000) 0.000 27.325 ( 0.000 0.000 0.000) 0.000 27.413 ( -0.000 0.000 0.000) 0.000 27.413 ( 0.000 0.000 0.000) 0.000 27.726 ( 0.000 0.000 -0.000) 0.000 27.726 ( 0.000 0.000 0.000) 0.000 27.780 ( -0.000 0.000 -0.000) 0.000 27.780 ( -0.000 0.000 0.000) 0.000 49.713 ( 0.000 0.000 0.000) 0.000 49.713 ( 0.000 0.000 0.000) 0.000 49.913 ( 0.000 0.000 0.000) 0.000 49.913 ( 0.000 0.000 0.000) 0.000 89.318 ( 0.000 0.000 0.000) 0.000 89.318 ( 0.000 0.000 0.000) 0.000 89.328 ( 0.000 0.000 0.000) 0.000 89.328 ( 0.000 0.000 0.000) 0.000 93.434 ( 0.000 0.000 0.000) 0.000 93.434 ( 0.000 0.000 0.000) 0.000 93.645 ( -0.000 0.000 0.000) 0.000 93.645 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 287 (89/112) ======================= q-point: ( 0.00 0.08 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.936 ( 0.000 3.208 -8.144) 8.753 0.936 ( 0.000 3.208 8.144) 8.753 1.090 ( 0.000 10.681 -10.384) 14.897 1.090 ( 0.000 10.681 10.384) 14.897 1.423 ( 0.000 4.799 -1.541) 5.041 1.423 ( 0.000 4.799 1.541) 5.041 1.570 ( 0.000 9.773 -6.918) 11.973 1.570 ( 0.000 9.773 6.918) 11.973 2.041 ( 0.000 -0.132 -14.905) 14.906 2.041 ( 0.000 -0.132 14.905) 14.906 2.672 ( 0.000 -2.918 -10.932) 11.314 2.672 ( 0.000 -2.918 10.932) 11.314 2.718 ( 0.000 -3.583 -2.623) 4.440 2.718 ( 0.000 -3.583 2.623) 4.440 3.042 ( 0.000 10.240 -2.562) 10.556 3.042 ( 0.000 10.240 2.562) 10.556 3.078 ( 0.000 12.013 -1.420) 12.097 3.078 ( 0.000 12.013 1.420) 12.097 3.267 ( 0.000 2.797 -2.395) 3.683 3.267 ( 0.000 2.797 2.395) 3.683 4.134 ( 0.000 1.485 -1.104) 1.850 4.134 ( 0.000 1.485 1.104) 1.850 4.333 ( 0.000 0.641 -2.434) 2.517 4.333 ( 0.000 0.641 2.434) 2.517 4.706 ( 0.000 -3.385 -6.331) 7.180 4.706 ( 0.000 -3.385 6.331) 7.180 5.278 ( 0.000 -21.678 -7.220) 22.848 5.278 ( 0.000 -21.678 7.220) 22.848 9.106 ( 0.000 5.085 -0.053) 5.085 9.106 ( 0.000 5.085 0.053) 5.085 9.364 ( 0.000 18.190 -4.556) 18.752 9.364 ( 0.000 18.190 4.556) 18.752 9.568 ( 0.000 -3.453 -3.056) 4.611 9.568 ( 0.000 -3.453 3.056) 4.611 10.030 ( 0.000 6.307 -1.453) 6.472 10.030 ( 0.000 6.307 1.453) 6.472 24.075 ( 0.000 15.244 -1.147) 15.287 24.075 ( 0.000 15.244 1.147) 15.287 24.166 ( 0.000 13.720 -1.568) 13.809 24.166 ( 0.000 13.720 1.568) 13.809 26.978 ( 0.000 -2.121 -0.198) 2.130 26.978 ( 0.000 -2.121 0.198) 2.130 27.314 ( 0.000 4.966 -0.730) 5.020 27.314 ( 0.000 4.966 0.730) 5.020 27.476 ( 0.000 -0.410 -0.774) 0.876 27.476 ( 0.000 -0.410 0.774) 0.876 28.156 ( 0.000 1.434 -6.303) 6.464 28.156 ( 0.000 1.434 6.303) 6.464 49.669 ( 0.000 -6.653 -1.872) 6.912 49.669 ( 0.000 -6.653 1.872) 6.912 49.844 ( 0.000 -8.894 -0.804) 8.930 49.844 ( 0.000 -8.894 0.804) 8.930 89.449 ( 0.000 11.932 -0.564) 11.946 89.449 ( 0.000 11.932 0.564) 11.946 89.716 ( 0.000 34.207 -9.878) 35.605 89.716 ( 0.000 34.207 9.878) 35.605 93.198 ( 0.000 2.067 -0.489) 2.124 93.198 ( 0.000 2.067 0.489) 2.124 94.079 ( 0.000 -5.864 -2.651) 6.436 94.079 ( 0.000 -5.864 2.651) 6.436 ======================= Grid point 289 (90/112) ======================= q-point: ( 0.17 0.08 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.976 ( 3.368 2.906 -8.387) 9.493 0.976 ( 3.368 2.906 8.387) 9.493 1.115 ( 2.127 10.046 -9.620) 14.071 1.115 ( 2.127 10.046 9.620) 14.071 1.396 ( -1.928 4.623 -1.342) 5.185 1.396 ( -1.928 4.623 1.342) 5.185 1.550 ( -2.211 10.301 -4.711) 11.541 1.550 ( -2.211 10.301 4.711) 11.541 2.052 ( 0.658 -1.311 -9.925) 10.033 2.052 ( 0.658 -1.311 9.925) 10.033 2.474 ( -8.897 -2.647 -4.880) 10.487 2.474 ( -8.897 -2.647 4.880) 10.487 2.881 ( 5.819 -0.316 -3.858) 6.989 2.881 ( 5.819 -0.316 3.858) 6.989 3.032 ( -0.925 10.719 -2.674) 11.086 3.032 ( -0.925 10.719 2.674) 11.086 3.088 ( 0.706 11.178 -1.373) 11.284 3.088 ( 0.706 11.178 1.373) 11.284 3.302 ( 3.528 -0.031 -3.344) 4.861 3.302 ( 3.528 -0.031 3.344) 4.861 4.122 ( -0.110 2.020 -3.930) 4.420 4.122 ( -0.110 2.020 3.930) 4.420 4.381 ( 3.357 0.206 -4.935) 5.972 4.381 ( 3.357 0.206 4.935) 5.972 4.741 ( 3.052 -4.109 -8.137) 9.613 4.741 ( 3.052 -4.109 8.137) 9.613 5.220 ( -5.192 -19.271 -8.258) 21.599 5.220 ( -5.192 -19.271 8.258) 21.599 9.108 ( 0.203 5.152 -0.063) 5.157 9.108 ( 0.203 5.152 0.063) 5.157 9.355 ( -0.802 17.842 -3.905) 18.282 9.355 ( -0.802 17.842 3.905) 18.282 9.571 ( 0.292 -2.642 -2.916) 3.946 9.571 ( 0.292 -2.642 2.916) 3.946 9.992 ( -3.115 4.609 -1.205) 5.692 9.992 ( -3.115 4.609 1.205) 5.692 24.073 ( -0.142 14.774 -0.719) 14.792 24.073 ( -0.142 14.774 0.719) 14.792 24.161 ( -0.512 13.629 -1.418) 13.712 24.161 ( -0.512 13.629 1.418) 13.712 27.092 ( 9.121 -4.059 -2.234) 10.230 27.092 ( 9.121 -4.059 2.234) 10.230 27.346 ( 3.342 5.578 -1.460) 6.665 27.346 ( 3.342 5.578 1.460) 6.665 27.466 ( -0.691 -0.132 -0.645) 0.954 27.466 ( -0.691 -0.132 0.645) 0.954 28.113 ( -4.088 1.520 -6.611) 7.920 28.113 ( -4.088 1.520 6.611) 7.920 49.663 ( -0.548 -6.663 -1.600) 6.875 49.663 ( -0.548 -6.663 1.600) 6.875 49.840 ( -0.357 -8.642 -0.804) 8.687 49.840 ( -0.357 -8.642 0.804) 8.687 89.456 ( 0.686 12.566 -0.730) 12.606 89.456 ( 0.686 12.566 0.730) 12.606 89.684 ( -2.795 31.862 -8.149) 33.006 89.684 ( -2.795 31.862 8.149) 33.006 93.238 ( 3.749 1.937 -1.102) 4.361 93.238 ( 3.749 1.937 1.102) 4.361 93.976 ( -8.898 -4.934 -0.416) 10.183 93.976 ( -8.898 -4.934 0.416) 10.183 ======================= Grid point 291 (91/112) ======================= q-point: ( 0.33 0.08 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.062 ( 4.869 1.543 -8.961) 10.315 1.062 ( 4.869 1.543 8.961) 10.315 1.164 ( 2.112 7.441 -6.138) 9.874 1.164 ( 2.112 7.441 6.138) 9.874 1.362 ( -1.257 6.289 -2.684) 6.953 1.362 ( -1.257 6.289 2.684) 6.953 1.464 ( -5.908 9.579 -4.236) 12.025 1.464 ( -5.908 9.579 4.236) 12.025 2.072 ( 1.804 -1.259 -4.708) 5.196 2.072 ( 1.804 -1.259 4.708) 5.196 2.338 ( -4.495 -0.545 -0.906) 4.618 2.338 ( -4.495 -0.545 0.906) 4.618 2.940 ( 0.488 -0.118 -2.669) 2.716 2.940 ( 0.488 -0.118 2.669) 2.716 3.008 ( -1.003 13.998 -1.789) 14.147 3.008 ( -1.003 13.998 1.789) 14.147 3.119 ( 2.161 8.548 -2.342) 9.123 3.119 ( 2.161 8.548 2.342) 9.123 3.373 ( 1.977 -2.109 -3.217) 4.325 3.373 ( 1.977 -2.109 3.217) 4.325 4.168 ( 4.654 1.921 -3.730) 6.266 4.168 ( 4.654 1.921 3.730) 6.266 4.424 ( 0.039 -0.683 -4.764) 4.813 4.424 ( 0.039 -0.683 4.764) 4.813 4.818 ( 3.889 -6.140 -11.064) 13.237 4.818 ( 3.889 -6.140 11.064) 13.237 5.088 ( -6.544 -13.647 -10.597) 18.476 5.088 ( -6.544 -13.647 10.597) 18.476 9.113 ( 0.229 5.274 -0.060) 5.279 9.113 ( 0.229 5.274 0.060) 5.279 9.337 ( -0.777 17.223 -2.205) 17.381 9.337 ( -0.777 17.223 2.205) 17.381 9.578 ( 0.305 -1.002 -2.022) 2.277 9.578 ( 0.305 -1.002 2.022) 2.277 9.926 ( -2.642 1.223 -1.543) 3.295 9.926 ( -2.642 1.223 1.543) 3.295 24.072 ( 0.051 13.889 -0.119) 13.890 24.072 ( 0.051 13.889 0.119) 13.890 24.148 ( -0.585 13.543 -0.949) 13.589 24.148 ( -0.585 13.543 0.949) 13.589 27.257 ( 5.389 -3.988 -2.183) 7.051 27.257 ( 5.389 -3.988 2.183) 7.051 27.399 ( -1.127 -0.937 -0.823) 1.681 27.399 ( -1.127 -0.937 0.823) 1.681 27.538 ( 10.265 4.627 -5.524) 12.542 27.538 ( 10.265 4.627 5.524) 12.542 27.986 ( -7.976 1.801 -7.422) 11.043 27.986 ( -7.976 1.801 7.422) 11.043 49.651 ( -0.513 -6.673 -0.906) 6.754 49.651 ( -0.513 -6.673 0.906) 6.754 49.833 ( -0.276 -8.243 -0.552) 8.266 49.833 ( -0.276 -8.243 0.552) 8.266 89.477 ( 1.275 14.306 -1.065) 14.402 89.477 ( 1.275 14.306 1.065) 14.402 89.616 ( -3.147 26.934 -4.709) 27.523 89.616 ( -3.147 26.934 4.709) 27.523 93.349 ( 6.658 1.777 -2.118) 7.209 93.349 ( 6.658 1.777 2.118) 7.209 93.758 ( -10.866 -3.537 -2.690) 11.740 93.758 ( -10.866 -3.537 2.690) 11.740 ======================= Grid point 293 (92/112) ======================= q-point: (-0.50 0.08 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.164 ( -3.285 1.058 -5.128) 6.181 1.164 ( 3.214 0.899 -5.017) 6.026 1.164 ( -3.214 1.838 5.017) 6.235 1.164 ( 3.285 1.679 5.127) 6.317 1.354 ( 0.000 9.551 -0.000) 9.551 1.354 ( 0.000 9.551 0.000) 9.551 1.362 ( -0.000 10.586 -0.000) 10.586 1.362 ( -0.000 10.586 0.000) 10.586 2.109 ( 0.000 -0.241 0.000) 0.241 2.109 ( 0.000 -0.241 0.000) 0.241 2.281 ( 0.000 0.229 0.000) 0.229 2.281 ( 0.000 0.229 0.000) 0.229 2.939 ( 0.000 -1.358 0.000) 1.358 2.939 ( 0.000 -1.358 0.000) 1.358 2.998 ( 0.000 14.781 0.000) 14.781 2.998 ( 0.000 14.781 0.000) 14.781 3.149 ( 0.000 8.507 0.000) 8.507 3.149 ( 0.000 8.507 0.000) 8.507 3.386 ( 0.000 -2.019 0.000) 2.019 3.386 ( 0.000 -2.019 0.000) 2.019 4.252 ( 0.000 1.780 0.000) 1.780 4.252 ( 0.000 1.780 0.000) 1.780 4.400 ( -0.000 -1.875 -0.000) 1.875 4.400 ( 0.000 -1.875 0.000) 1.875 4.875 ( -0.000 -9.161 -0.000) 9.161 4.875 ( 0.000 -9.161 0.000) 9.161 4.998 ( -0.000 -8.562 -0.000) 8.562 4.998 ( 0.000 -8.562 0.000) 8.562 9.116 ( 0.000 5.326 0.000) 5.326 9.116 ( 0.000 5.326 0.000) 5.326 9.328 ( 0.000 16.937 0.000) 16.937 9.328 ( 0.000 16.937 0.000) 16.937 9.581 ( 0.000 -0.124 0.000) 0.124 9.581 ( 0.000 -0.124 0.000) 0.124 9.896 ( 0.000 -0.487 0.000) 0.487 9.896 ( 0.000 -0.487 0.000) 0.487 24.073 ( 0.000 13.445 0.000) 13.445 24.073 ( 0.000 13.445 0.000) 13.445 24.141 ( 0.000 13.562 0.000) 13.562 24.141 ( 0.000 13.562 0.000) 13.562 27.327 ( -0.000 0.051 0.000) 0.051 27.327 ( 0.000 0.051 0.000) 0.051 27.362 ( -0.000 -4.184 0.000) 4.184 27.362 ( 0.000 -4.184 0.000) 4.184 27.778 ( 0.000 0.013 -0.000) 0.013 27.778 ( 0.000 0.013 0.000) 0.013 27.786 ( -0.000 5.120 -0.000) 5.120 27.786 ( -0.000 5.120 0.000) 5.120 49.645 ( 0.000 -6.675 0.000) 6.675 49.645 ( 0.000 -6.675 0.000) 6.675 49.830 ( 0.000 -8.084 0.000) 8.084 49.830 ( 0.000 -8.084 0.000) 8.084 89.497 ( 0.000 15.686 0.000) 15.686 89.497 ( 0.000 15.686 0.000) 15.686 89.575 ( -0.000 24.070 0.000) 24.070 89.575 ( 0.000 24.070 0.000) 24.070 93.477 ( 0.000 4.320 0.000) 4.320 93.477 ( 0.000 4.320 0.000) 4.320 93.583 ( -0.000 -5.600 0.000) 5.600 93.583 ( -0.000 -5.600 0.000) 5.600 ======================= Grid point 301 (93/112) ======================= q-point: ( 0.00 0.17 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.041 ( 0.000 6.957 -8.075) 10.659 1.041 ( 0.000 6.957 8.075) 10.659 1.322 ( 0.000 11.406 -8.204) 14.050 1.322 ( 0.000 11.406 8.204) 14.050 1.542 ( 0.000 6.499 -0.078) 6.500 1.542 ( 0.000 6.499 0.078) 6.500 1.769 ( 0.000 8.443 -6.869) 10.884 1.769 ( 0.000 8.443 6.869) 10.884 2.083 ( 0.000 4.166 -4.334) 6.012 2.083 ( 0.000 4.166 4.334) 6.012 2.590 ( 0.000 -4.835 -13.816) 14.637 2.590 ( 0.000 -4.835 13.816) 14.637 2.668 ( 0.000 -1.245 -0.209) 1.262 2.668 ( 0.000 -1.245 0.209) 1.262 3.172 ( 0.000 1.283 -0.641) 1.434 3.172 ( 0.000 1.283 0.641) 1.434 3.239 ( 0.000 5.641 -1.127) 5.752 3.239 ( 0.000 5.641 1.127) 5.752 3.472 ( 0.000 12.912 -1.271) 12.974 3.472 ( 0.000 12.912 1.271) 12.974 4.205 ( 0.000 6.168 -0.066) 6.168 4.205 ( 0.000 6.168 0.066) 6.168 4.364 ( 0.000 2.933 -3.050) 4.231 4.364 ( 0.000 2.933 3.050) 4.231 4.601 ( 0.000 -7.280 -4.472) 8.544 4.601 ( 0.000 -7.280 4.472) 8.544 4.858 ( 0.000 -16.902 -2.554) 17.094 4.858 ( 0.000 -16.902 2.554) 17.094 9.186 ( 0.000 1.841 -1.429) 2.331 9.186 ( 0.000 1.841 1.429) 2.331 9.457 ( 0.000 -4.859 -2.378) 5.410 9.457 ( 0.000 -4.859 2.378) 5.410 9.718 ( 0.000 14.625 -2.583) 14.851 9.718 ( 0.000 14.625 2.583) 14.851 10.263 ( 0.000 15.327 -9.166) 17.859 10.263 ( 0.000 15.327 9.166) 17.859 24.467 ( 0.000 22.776 -1.967) 22.861 24.467 ( 0.000 22.776 1.967) 22.861 24.546 ( 0.000 22.815 -2.142) 22.916 24.546 ( 0.000 22.815 2.142) 22.916 26.932 ( 0.000 -2.309 -0.073) 2.310 26.932 ( 0.000 -2.309 0.073) 2.310 27.432 ( 0.000 5.972 -0.170) 5.974 27.432 ( 0.000 5.972 0.170) 5.974 27.466 ( 0.000 -0.133 -0.192) 0.234 27.466 ( 0.000 -0.133 0.192) 0.234 28.203 ( 0.000 3.195 -5.178) 6.085 28.203 ( 0.000 3.195 5.178) 6.085 49.481 ( 0.000 -11.785 -1.591) 11.892 49.481 ( 0.000 -11.785 1.591) 11.892 49.603 ( 0.000 -14.458 -1.488) 14.534 49.603 ( 0.000 -14.458 1.488) 14.534 89.760 ( 0.000 17.827 -1.251) 17.871 89.760 ( 0.000 17.827 1.251) 17.871 90.478 ( 0.000 36.692 -21.393) 42.473 90.478 ( 0.000 36.692 21.393) 42.473 93.257 ( 0.000 3.882 -0.364) 3.899 93.257 ( 0.000 3.882 0.364) 3.899 93.972 ( 0.000 -3.193 -2.806) 4.251 93.972 ( 0.000 -3.193 2.806) 4.251 ======================= Grid point 303 (94/112) ======================= q-point: ( 0.17 0.17 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.069 ( 2.094 6.080 -7.939) 10.216 1.069 ( 2.094 6.080 7.939) 10.216 1.330 ( 0.422 10.385 -7.464) 12.796 1.330 ( 0.422 10.385 7.464) 12.796 1.519 ( -1.145 7.066 -0.466) 7.173 1.519 ( -1.145 7.066 0.466) 7.173 1.765 ( -1.767 9.410 -3.597) 10.228 1.765 ( -1.767 9.410 3.597) 10.228 2.048 ( -1.920 0.997 -5.700) 6.097 2.048 ( -1.920 0.997 5.700) 6.097 2.453 ( -5.531 0.976 -4.299) 7.073 2.453 ( -5.531 0.976 4.299) 7.073 2.830 ( 7.107 -3.697 -4.555) 9.216 2.830 ( 7.107 -3.697 4.555) 9.216 3.181 ( 1.212 2.251 -0.868) 2.700 3.181 ( 1.212 2.251 0.868) 2.700 3.263 ( 2.020 3.605 -1.526) 4.405 3.263 ( 2.020 3.605 1.526) 4.405 3.438 ( -2.771 12.773 -0.602) 13.084 3.438 ( -2.771 12.773 0.602) 13.084 4.204 ( 0.443 6.555 -2.874) 7.172 4.204 ( 0.443 6.555 2.874) 7.172 4.401 ( 2.457 2.209 -3.653) 4.926 4.401 ( 2.457 2.209 3.653) 4.926 4.618 ( 1.592 -8.134 -5.648) 10.030 4.618 ( 1.592 -8.134 5.648) 10.030 4.843 ( -1.319 -15.143 -3.841) 15.678 4.843 ( -1.319 -15.143 3.841) 15.678 9.190 ( 0.314 1.841 -1.326) 2.291 9.190 ( 0.314 1.841 1.326) 2.291 9.450 ( -0.570 -4.476 -2.085) 4.970 9.450 ( -0.570 -4.476 2.085) 4.970 9.736 ( 1.799 14.846 -2.644) 15.187 9.736 ( 1.799 14.846 2.644) 15.187 10.198 ( -5.712 15.073 -7.024) 17.583 10.198 ( -5.712 15.073 7.024) 17.583 24.460 ( -0.596 22.723 -1.564) 22.784 24.460 ( -0.596 22.723 1.564) 22.784 24.536 ( -0.799 22.627 -1.684) 22.704 24.536 ( -0.799 22.627 1.684) 22.704 27.014 ( 6.881 -3.542 -1.195) 7.831 27.014 ( 6.881 -3.542 1.195) 7.831 27.433 ( -1.318 0.710 -0.575) 1.603 27.433 ( -1.318 0.710 0.575) 1.603 27.493 ( 4.163 5.021 -1.771) 6.758 27.493 ( 4.163 5.021 1.771) 6.758 28.162 ( -3.852 3.339 -5.429) 7.447 28.162 ( -3.852 3.339 5.429) 7.447 49.474 ( -0.558 -11.787 -1.330) 11.875 49.474 ( -0.558 -11.787 1.330) 11.875 49.604 ( 0.019 -14.280 -1.252) 14.335 49.604 ( 0.019 -14.280 1.252) 14.335 89.781 ( 1.963 18.446 -1.552) 18.615 89.781 ( 1.963 18.446 1.552) 18.615 90.410 ( -5.970 35.845 -18.248) 40.663 90.410 ( -5.970 35.845 18.248) 40.663 93.289 ( 2.973 3.109 -0.365) 4.317 93.289 ( 2.973 3.109 0.365) 4.317 93.895 ( -6.721 -1.583 -1.169) 7.003 93.895 ( -6.721 -1.583 1.169) 7.003 ======================= Grid point 305 (95/112) ======================= q-point: ( 0.33 0.17 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.116 ( 2.677 3.660 -7.103) 8.427 1.116 ( 2.677 3.660 7.103) 8.427 1.317 ( -2.236 7.266 -3.103) 8.211 1.317 ( -2.236 7.266 3.103) 8.211 1.517 ( 0.970 8.169 -1.978) 8.461 1.517 ( 0.970 8.169 1.978) 8.461 1.671 ( -5.675 9.583 -1.790) 11.280 1.671 ( -5.675 9.583 1.790) 11.280 2.067 ( 3.510 1.222 -5.747) 6.844 2.067 ( 3.510 1.222 5.747) 6.844 2.371 ( -2.993 4.134 -1.007) 5.202 2.371 ( -2.993 4.134 1.007) 5.202 2.906 ( 0.662 -2.508 -1.837) 3.179 2.906 ( 0.662 -2.508 1.837) 3.179 3.236 ( 3.669 2.998 -2.681) 5.444 3.236 ( 3.669 2.998 2.681) 5.444 3.301 ( 1.008 2.554 -1.635) 3.195 3.301 ( 1.008 2.554 1.635) 3.195 3.379 ( -2.474 10.247 -2.328) 10.795 3.379 ( -2.474 10.247 2.328) 10.795 4.245 ( 3.633 5.966 -3.437) 7.785 4.245 ( 3.633 5.966 3.437) 7.785 4.420 ( -1.244 0.818 -3.046) 3.390 4.420 ( -1.244 0.818 3.046) 3.390 4.661 ( 2.044 -8.715 -7.023) 11.377 4.661 ( 2.044 -8.715 7.023) 11.377 4.812 ( -1.293 -11.594 -5.799) 13.028 4.812 ( -1.293 -11.594 5.799) 13.028 9.197 ( 0.338 1.836 -0.879) 2.063 9.197 ( 0.338 1.836 0.879) 2.063 9.437 ( -0.583 -3.823 -1.247) 4.063 9.437 ( -0.583 -3.823 1.247) 4.063 9.793 ( 3.604 16.364 -2.417) 16.930 9.793 ( 3.604 16.364 2.417) 16.930 10.055 ( -7.131 13.339 -3.210) 15.462 10.055 ( -7.131 13.339 3.210) 15.462 24.447 ( -0.463 22.521 -0.722) 22.538 24.447 ( -0.463 22.521 0.722) 22.538 24.519 ( -0.751 22.304 -0.873) 22.334 24.519 ( -0.751 22.304 0.873) 22.334 27.169 ( 6.888 -4.414 -1.956) 8.411 27.169 ( 6.888 -4.414 1.956) 8.411 27.383 ( -3.222 -1.129 -1.059) 3.574 27.383 ( -3.222 -1.129 1.059) 3.574 27.635 ( 8.845 5.234 -4.468) 11.207 27.635 ( 8.845 5.234 4.468) 11.207 28.044 ( -7.224 3.904 -5.870) 10.094 28.044 ( -7.224 3.904 5.870) 10.094 49.462 ( -0.510 -11.772 -0.730) 11.806 49.462 ( -0.510 -11.772 0.730) 11.806 49.604 ( 0.007 -13.991 -0.693) 14.008 49.604 ( 0.007 -13.991 0.693) 14.008 89.838 ( 3.165 19.926 -2.076) 20.282 89.838 ( 3.165 19.926 2.076) 20.282 90.264 ( -6.911 33.737 -10.903) 36.122 90.264 ( -6.911 33.737 10.903) 36.122 93.376 ( 5.018 0.458 -0.779) 5.099 93.376 ( 5.018 0.458 0.779) 5.099 93.728 ( -8.213 2.402 -1.008) 8.616 93.728 ( -8.213 2.402 1.008) 8.616 ======================= Grid point 307 (96/112) ======================= q-point: (-0.50 0.17 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.171 ( 0.000 1.043 0.000) 1.043 1.171 ( 0.000 1.043 0.000) 1.043 1.259 ( 0.000 5.774 -0.000) 5.774 1.259 ( 0.000 5.774 0.000) 5.774 1.546 ( 0.000 8.371 0.000) 8.371 1.546 ( 0.000 8.371 0.000) 8.371 1.592 ( -0.000 11.239 -0.000) 11.239 1.592 ( 0.000 11.239 0.000) 11.239 2.126 ( 0.000 2.164 0.000) 2.164 2.126 ( 0.000 2.164 0.000) 2.164 2.329 ( 0.000 4.885 0.000) 4.885 2.329 ( 0.000 4.885 0.000) 4.885 2.904 ( 0.000 -2.032 0.000) 2.032 2.904 ( 0.000 -2.032 0.000) 2.032 3.299 ( 0.000 4.350 0.000) 4.350 3.299 ( -0.000 4.350 0.000) 4.350 3.302 ( 0.000 4.765 -0.000) 4.765 3.302 ( -0.000 4.765 -0.000) 4.765 3.343 ( 0.000 5.767 0.000) 5.767 3.343 ( 0.000 5.767 0.000) 5.767 4.325 ( 0.000 5.702 -0.000) 5.702 4.325 ( 0.000 5.702 0.000) 5.702 4.367 ( -0.000 -0.537 -0.000) 0.537 4.367 ( -0.000 -0.537 0.000) 0.537 4.685 ( 0.000 -8.528 0.000) 8.528 4.685 ( 0.000 -8.528 0.000) 8.528 4.798 ( -0.000 -9.933 -0.000) 9.933 4.798 ( 0.000 -9.933 0.000) 9.933 9.201 ( 0.000 1.831 0.000) 1.831 9.201 ( 0.000 1.831 0.000) 1.831 9.430 ( 0.000 -3.544 0.000) 3.544 9.430 ( 0.000 -3.544 0.000) 3.544 9.863 ( -0.000 22.955 0.000) 22.955 9.863 ( 0.000 22.955 0.000) 22.955 9.946 ( -0.000 6.577 -0.000) 6.577 9.946 ( 0.000 6.577 0.000) 6.577 24.442 ( 0.000 22.382 0.000) 22.382 24.442 ( 0.000 22.382 0.000) 22.382 24.510 ( 0.000 22.169 0.000) 22.169 24.510 ( 0.000 22.169 0.000) 22.169 27.274 ( 0.000 -4.284 0.000) 4.284 27.274 ( 0.000 -4.284 0.000) 4.284 27.316 ( 0.000 -1.408 0.000) 1.408 27.316 ( -0.000 -1.408 0.000) 1.408 27.798 ( 0.000 2.340 -0.000) 2.340 27.798 ( 0.000 2.340 0.000) 2.340 27.904 ( -0.000 6.172 -0.000) 6.172 27.904 ( -0.000 6.172 0.000) 6.172 49.456 ( 0.000 -11.760 0.000) 11.760 49.456 ( 0.000 -11.760 0.000) 11.760 49.604 ( 0.000 -13.872 0.000) 13.872 49.604 ( 0.000 -13.872 0.000) 13.872 89.883 ( 0.000 20.766 0.000) 20.766 89.883 ( 0.000 20.766 0.000) 20.766 90.176 ( -0.000 32.510 0.000) 32.510 90.176 ( 0.000 32.510 0.000) 32.510 93.460 ( 0.000 -5.347 0.000) 5.347 93.460 ( 0.000 -5.347 0.000) 5.347 93.609 ( -0.000 8.738 0.000) 8.738 93.609 ( 0.000 8.738 0.000) 8.738 ======================= Grid point 315 (97/112) ======================= q-point: ( 0.00 0.25 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.198 ( 0.000 8.250 -6.207) 10.324 1.198 ( 0.000 8.250 6.207) 10.324 1.535 ( 0.000 9.753 -6.209) 11.561 1.535 ( 0.000 9.753 6.209) 11.561 1.657 ( 0.000 4.603 -1.127) 4.739 1.657 ( 0.000 4.603 1.127) 4.739 1.905 ( 0.000 5.300 -2.286) 5.772 1.905 ( 0.000 5.300 2.286) 5.772 2.155 ( 0.000 1.993 -3.034) 3.630 2.155 ( 0.000 1.993 3.034) 3.630 2.498 ( 0.000 -3.843 -11.784) 12.395 2.498 ( 0.000 -3.843 11.784) 12.395 2.682 ( 0.000 2.747 -1.657) 3.208 2.682 ( 0.000 2.747 1.657) 3.208 3.152 ( 0.000 -2.484 -0.728) 2.588 3.152 ( 0.000 -2.484 0.728) 2.588 3.309 ( 0.000 1.140 -1.238) 1.683 3.309 ( 0.000 1.140 1.238) 1.683 3.603 ( 0.000 -0.427 -1.068) 1.151 3.603 ( 0.000 -0.427 1.068) 1.151 4.341 ( 0.000 2.645 -0.321) 2.665 4.341 ( 0.000 2.645 0.321) 2.665 4.428 ( 0.000 -0.247 -0.687) 0.730 4.428 ( 0.000 -0.247 0.687) 0.730 4.471 ( 0.000 0.180 -1.217) 1.230 4.471 ( 0.000 0.180 1.217) 1.230 4.669 ( 0.000 -0.854 -5.107) 5.178 4.669 ( 0.000 -0.854 5.107) 5.178 9.183 ( 0.000 -1.310 -1.614) 2.078 9.183 ( 0.000 -1.310 1.614) 2.078 9.378 ( 0.000 -2.424 -2.296) 3.339 9.378 ( 0.000 -2.424 2.296) 3.339 10.010 ( 0.000 14.471 -1.048) 14.509 10.010 ( 0.000 14.471 1.048) 14.509 10.549 ( 0.000 11.927 -9.535) 15.270 10.549 ( 0.000 11.927 9.535) 15.270 24.953 ( 0.000 24.731 -1.744) 24.792 24.953 ( 0.000 24.731 1.744) 24.792 25.031 ( 0.000 24.524 -1.681) 24.582 25.031 ( 0.000 24.524 1.681) 24.582 26.887 ( 0.000 -2.195 -0.056) 2.196 26.887 ( 0.000 -2.195 0.056) 2.196 27.444 ( 0.000 -0.950 -0.061) 0.952 27.444 ( 0.000 -0.950 0.061) 0.952 27.570 ( 0.000 6.490 -0.235) 6.495 27.570 ( 0.000 6.490 0.235) 6.495 28.280 ( 0.000 4.300 -4.068) 5.920 28.280 ( 0.000 4.300 4.068) 5.920 49.215 ( 0.000 -14.176 -1.150) 14.223 49.215 ( 0.000 -14.176 1.150) 14.223 49.291 ( 0.000 -15.993 -1.578) 16.071 49.291 ( 0.000 -15.993 1.578) 16.071 90.113 ( 0.000 16.265 -1.678) 16.352 90.113 ( 0.000 16.265 1.678) 16.352 91.056 ( 0.000 19.416 -20.425) 28.181 91.056 ( 0.000 19.416 20.425) 28.181 93.371 ( 0.000 8.252 -1.388) 8.367 93.371 ( 0.000 8.252 1.388) 8.367 93.989 ( 0.000 4.688 -5.020) 6.868 93.989 ( 0.000 4.688 5.020) 6.868 ======================= Grid point 317 (98/112) ======================= q-point: ( 0.17 0.25 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.208 ( 0.392 7.526 -6.586) 10.009 1.208 ( 0.392 7.526 6.586) 10.009 1.516 ( -1.833 7.877 -6.324) 10.266 1.516 ( -1.833 7.877 6.324) 10.266 1.649 ( -0.374 5.455 -2.766) 6.127 1.649 ( -0.374 5.455 2.766) 6.127 1.901 ( -1.917 4.178 -3.213) 5.609 1.901 ( -1.917 4.178 3.213) 5.609 2.088 ( -2.395 3.143 -2.439) 4.644 2.088 ( -2.395 3.143 2.439) 4.644 2.503 ( -0.090 2.654 -5.718) 6.305 2.503 ( -0.090 2.654 5.718) 6.305 2.762 ( 5.612 -2.067 -2.146) 6.353 2.762 ( 5.612 -2.067 2.146) 6.353 3.162 ( 0.856 -2.732 -1.827) 3.397 3.162 ( 0.856 -2.732 1.827) 3.397 3.303 ( -0.454 -0.222 -1.081) 1.193 3.303 ( -0.454 -0.222 1.081) 1.193 3.581 ( -1.892 0.463 -0.717) 2.075 3.581 ( -1.892 0.463 0.717) 2.075 4.353 ( 1.067 4.439 -1.270) 4.738 4.353 ( 1.067 4.439 1.270) 4.738 4.423 ( -0.333 -2.905 -0.912) 3.063 4.423 ( -0.333 -2.905 0.912) 3.063 4.495 ( 2.219 0.478 -1.589) 2.771 4.495 ( 2.219 0.478 1.589) 2.771 4.675 ( 0.299 -0.619 -5.586) 5.628 4.675 ( 0.299 -0.619 5.586) 5.628 9.185 ( 0.244 -1.319 -1.557) 2.055 9.185 ( 0.244 -1.319 1.557) 2.055 9.373 ( -0.379 -2.489 -2.107) 3.283 9.373 ( -0.379 -2.489 2.107) 3.283 10.031 ( 1.937 14.496 -1.602) 14.713 10.031 ( 1.937 14.496 1.602) 14.713 10.496 ( -4.745 12.937 -8.218) 16.045 10.496 ( -4.745 12.937 8.218) 16.045 24.946 ( -0.597 24.782 -1.444) 24.832 24.946 ( -0.597 24.782 1.444) 24.832 25.020 ( -0.948 24.524 -1.338) 24.579 25.020 ( -0.948 24.524 1.338) 24.579 26.950 ( 5.479 -2.931 -0.633) 6.246 26.950 ( 5.479 -2.931 0.633) 6.246 27.419 ( -2.291 -1.206 -0.348) 2.612 27.419 ( -2.291 -1.206 0.348) 2.612 27.618 ( 4.485 6.429 -1.738) 8.029 27.618 ( 4.485 6.429 1.738) 8.029 28.242 ( -3.584 4.411 -4.222) 7.080 28.242 ( -3.584 4.411 4.222) 7.080 49.209 ( -0.504 -14.099 -0.922) 14.139 49.209 ( -0.504 -14.099 0.922) 14.139 49.293 ( 0.159 -16.004 -1.282) 16.056 49.293 ( 0.159 -16.004 1.282) 16.056 90.142 ( 2.698 16.460 -1.969) 16.795 90.142 ( 2.698 16.460 1.969) 16.795 90.988 ( -5.972 20.075 -17.984) 27.606 90.988 ( -5.972 20.075 17.984) 27.606 93.384 ( 1.165 7.404 -1.266) 7.602 93.384 ( 1.165 7.404 1.266) 7.602 93.945 ( -3.758 6.170 -3.785) 8.156 93.945 ( -3.758 6.170 3.785) 8.156 ======================= Grid point 319 (99/112) ======================= q-point: ( 0.33 0.25 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.205 ( -0.196 5.172 -5.427) 7.499 1.205 ( -0.196 5.172 5.427) 7.499 1.447 ( -4.863 5.307 -3.987) 8.228 1.447 ( -4.863 5.307 3.987) 8.228 1.652 ( 1.033 5.016 -3.641) 6.284 1.652 ( 1.033 5.016 3.641) 6.284 1.830 ( -3.154 6.625 -0.892) 7.391 1.830 ( -3.154 6.625 0.892) 7.391 2.128 ( 4.488 4.464 -3.771) 7.368 2.128 ( 4.488 4.464 3.771) 7.368 2.487 ( -1.446 6.304 -2.133) 6.810 2.487 ( -1.446 6.304 2.133) 6.810 2.848 ( 2.003 -2.940 -1.229) 3.764 2.848 ( 2.003 -2.940 1.229) 3.764 3.189 ( 1.773 -4.427 -1.144) 4.904 3.189 ( 1.773 -4.427 1.144) 4.904 3.296 ( -0.277 -3.034 -0.503) 3.088 3.296 ( -0.277 -3.034 0.503) 3.088 3.536 ( -2.058 2.158 -0.302) 2.997 3.536 ( -2.058 2.158 0.302) 2.997 4.377 ( 0.814 4.236 -2.323) 4.899 4.377 ( 0.814 4.236 2.323) 4.899 4.422 ( 0.535 -2.157 -1.796) 2.858 4.422 ( 0.535 -2.157 1.796) 2.858 4.548 ( 2.286 -0.699 -3.546) 4.276 4.548 ( 2.286 -0.699 3.546) 4.276 4.674 ( -0.368 -0.451 -5.743) 5.772 4.674 ( -0.368 -0.451 5.743) 5.772 9.191 ( 0.245 -1.352 -1.098) 1.759 9.191 ( 0.245 -1.352 1.098) 1.759 9.364 ( -0.397 -2.609 -1.371) 2.974 9.364 ( -0.397 -2.609 1.371) 2.974 10.090 ( 3.611 14.179 -2.244) 14.803 10.090 ( 3.611 14.179 2.244) 14.803 10.374 ( -6.255 15.168 -5.380) 17.267 10.374 ( -6.255 15.168 5.380) 17.267 24.934 ( -0.503 24.896 -0.747) 24.913 24.934 ( -0.503 24.896 0.747) 24.913 24.998 ( -0.939 24.426 -0.676) 24.453 24.998 ( -0.939 24.426 0.676) 24.453 27.087 ( 6.920 -3.684 -1.203) 7.931 27.087 ( 6.920 -3.684 1.203) 7.931 27.350 ( -4.190 -2.031 -0.722) 4.712 27.350 ( -4.190 -2.031 0.722) 4.712 27.749 ( 7.550 5.964 -3.229) 10.149 27.749 ( 7.550 5.964 3.229) 10.149 28.134 ( -6.416 4.796 -4.326) 9.104 28.134 ( -6.416 4.796 4.326) 9.104 49.198 ( -0.451 -13.960 -0.480) 13.975 49.198 ( -0.451 -13.960 0.480) 13.975 49.296 ( 0.114 -16.023 -0.677) 16.037 49.296 ( 0.114 -16.023 0.677) 16.037 90.216 ( 3.923 16.788 -2.288) 17.391 90.216 ( 3.923 16.788 2.288) 17.391 90.839 ( -7.140 21.324 -11.263) 25.151 90.839 ( -7.140 21.324 11.263) 25.151 93.413 ( 1.408 5.261 -0.813) 5.507 93.413 ( 1.408 5.261 0.813) 5.507 93.859 ( -3.727 9.384 -1.621) 10.226 93.859 ( -3.727 9.384 1.621) 10.226 ======================= Grid point 321 (100/112) ======================= q-point: (-0.50 0.25 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.209 ( 0.000 2.875 0.000) 2.875 1.209 ( 0.000 2.875 0.000) 2.875 1.374 ( 0.000 5.285 0.000) 5.285 1.374 ( 0.000 5.285 0.000) 5.285 1.674 ( 0.000 4.614 0.000) 4.614 1.674 ( 0.000 4.614 0.000) 4.614 1.792 ( 0.000 8.666 0.000) 8.666 1.792 ( 0.000 8.666 0.000) 8.666 2.194 ( 0.000 4.152 0.000) 4.152 2.194 ( 0.000 4.152 0.000) 4.152 2.462 ( 0.000 7.438 0.000) 7.438 2.462 ( 0.000 7.438 0.000) 7.438 2.862 ( 0.000 -2.026 0.000) 2.026 2.862 ( 0.000 -2.026 0.000) 2.026 3.216 ( 0.000 -5.914 0.000) 5.914 3.216 ( -0.000 -5.914 0.000) 5.914 3.291 ( 0.000 -4.488 0.000) 4.488 3.291 ( 0.000 -4.488 0.000) 4.488 3.511 ( 0.000 3.174 0.000) 3.174 3.511 ( 0.000 3.174 0.000) 3.174 4.382 ( 0.000 0.225 0.000) 0.225 4.382 ( 0.000 0.225 0.000) 0.225 4.435 ( -0.000 2.261 -0.000) 2.261 4.435 ( 0.000 2.261 0.000) 2.261 4.574 ( 0.000 -0.957 0.000) 0.957 4.574 ( 0.000 -0.957 0.000) 0.957 4.668 ( 0.000 -0.781 -0.000) 0.781 4.668 ( 0.000 -0.781 0.000) 0.781 9.194 ( 0.000 -1.375 0.000) 1.375 9.194 ( 0.000 -1.375 0.000) 1.375 9.360 ( 0.000 -2.662 0.000) 2.662 9.360 ( 0.000 -2.662 0.000) 2.662 10.151 ( -0.000 12.614 0.000) 12.614 10.151 ( 0.000 12.614 0.000) 12.614 10.283 ( -0.000 17.617 0.000) 17.617 10.283 ( 0.000 17.617 -0.000) 17.617 24.928 ( 0.000 24.964 0.000) 24.964 24.928 ( 0.000 24.964 0.000) 24.964 24.987 ( 0.000 24.332 0.000) 24.332 24.987 ( 0.000 24.332 0.000) 24.332 27.197 ( 0.000 -3.294 0.000) 3.294 27.197 ( 0.000 -3.294 0.000) 3.294 27.270 ( 0.000 -2.980 0.000) 2.980 27.270 ( -0.000 -2.980 0.000) 2.980 27.874 ( 0.000 5.060 0.000) 5.060 27.874 ( 0.000 5.060 0.000) 5.060 28.023 ( -0.000 5.529 -0.000) 5.529 28.023 ( 0.000 5.529 0.000) 5.529 49.193 ( 0.000 -13.896 0.000) 13.896 49.193 ( 0.000 -13.896 0.000) 13.896 49.297 ( 0.000 -16.031 0.000) 16.031 49.297 ( 0.000 -16.031 0.000) 16.031 90.269 ( 0.000 16.803 0.000) 16.803 90.269 ( 0.000 16.803 0.000) 16.803 90.750 ( -0.000 22.032 0.000) 22.032 90.750 ( 0.000 22.032 0.000) 22.032 93.431 ( 0.000 3.780 0.000) 3.780 93.431 ( 0.000 3.780 0.000) 3.780 93.815 ( 0.000 11.314 0.000) 11.314 93.815 ( 0.000 11.314 0.000) 11.314 ======================= Grid point 329 (101/112) ======================= q-point: ( 0.00 0.33 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.359 ( 0.000 7.592 -3.250) 8.258 1.359 ( 0.000 7.592 3.250) 8.258 1.691 ( 0.000 4.507 -3.595) 5.765 1.691 ( 0.000 4.507 3.595) 5.765 1.726 ( 0.000 2.417 -0.243) 2.429 1.726 ( 0.000 2.417 0.243) 2.429 1.981 ( 0.000 3.520 -1.265) 3.740 1.981 ( 0.000 3.520 1.265) 3.740 2.178 ( 0.000 1.030 -2.394) 2.606 2.178 ( 0.000 1.030 2.394) 2.606 2.449 ( 0.000 -1.032 -7.710) 7.779 2.449 ( 0.000 -1.032 7.710) 7.779 2.747 ( 0.000 2.532 -2.876) 3.832 2.747 ( 0.000 2.532 2.876) 3.832 3.083 ( 0.000 -4.008 -2.143) 4.545 3.083 ( 0.000 -4.008 2.143) 4.545 3.310 ( 0.000 -0.649 -1.318) 1.470 3.310 ( 0.000 -0.649 1.318) 1.470 3.511 ( 0.000 -6.657 -1.187) 6.762 3.511 ( 0.000 -6.657 1.187) 6.762 4.279 ( 0.000 -3.641 -1.036) 3.785 4.279 ( 0.000 -3.641 1.036) 3.785 4.379 ( 0.000 -5.424 -0.612) 5.459 4.379 ( 0.000 -5.424 0.612) 5.459 4.539 ( 0.000 4.492 -0.214) 4.497 4.539 ( 0.000 4.492 0.214) 4.497 4.792 ( 0.000 8.479 -4.091) 9.414 4.792 ( 0.000 8.479 4.091) 9.414 9.164 ( 0.000 -0.109 -1.089) 1.094 9.164 ( 0.000 -0.109 1.089) 1.094 9.365 ( 0.000 0.850 -1.852) 2.038 9.365 ( 0.000 0.850 1.852) 2.038 10.277 ( 0.000 11.526 -0.413) 11.533 10.277 ( 0.000 11.526 0.413) 11.533 10.731 ( 0.000 6.407 -6.373) 9.037 10.731 ( 0.000 6.407 6.373) 9.037 25.417 ( 0.000 20.488 -1.468) 20.540 25.417 ( 0.000 20.488 1.468) 20.540 25.498 ( 0.000 21.269 -0.578) 21.277 25.498 ( 0.000 21.269 0.578) 21.277 26.844 ( 0.000 -2.101 -0.102) 2.104 26.844 ( 0.000 -2.101 0.102) 2.104 27.422 ( 0.000 -1.157 -0.125) 1.164 27.422 ( 0.000 -1.157 0.125) 1.164 27.690 ( 0.000 5.274 -0.273) 5.281 27.690 ( 0.000 5.274 0.273) 5.281 28.366 ( 0.000 4.087 -2.865) 4.991 28.366 ( 0.000 4.087 2.865) 4.991 48.935 ( 0.000 -13.045 -0.699) 13.064 48.935 ( 0.000 -13.045 0.699) 13.064 48.990 ( 0.000 -13.388 -1.238) 13.445 48.990 ( 0.000 -13.388 1.238) 13.445 90.389 ( 0.000 11.043 -1.708) 11.174 90.389 ( 0.000 11.043 1.708) 11.174 91.266 ( 0.000 3.167 -13.099) 13.476 91.266 ( 0.000 3.167 13.099) 13.476 93.598 ( 0.000 13.632 -1.175) 13.683 93.598 ( 0.000 13.632 1.175) 13.683 94.118 ( 0.000 6.909 -5.949) 9.117 94.118 ( 0.000 6.909 5.949) 9.117 ======================= Grid point 331 (102/112) ======================= q-point: ( 0.17 0.33 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.362 ( -0.492 7.652 -4.186) 8.735 1.362 ( -0.492 7.652 4.186) 8.735 1.619 ( -4.514 1.854 -4.417) 6.582 1.619 ( -4.514 1.854 4.417) 6.582 1.735 ( -0.807 3.055 -3.335) 4.594 1.735 ( -0.807 3.055 3.335) 4.594 1.975 ( -0.549 4.896 -2.914) 5.724 1.975 ( -0.549 4.896 2.914) 5.724 2.161 ( 0.329 3.244 -1.009) 3.413 2.161 ( 0.329 3.244 1.009) 3.413 2.509 ( 3.930 -1.723 -6.960) 8.176 2.509 ( 3.930 -1.723 6.960) 8.176 2.771 ( 2.028 1.999 -2.839) 4.021 2.771 ( 2.028 1.999 2.839) 4.021 3.085 ( 0.164 -4.596 -2.519) 5.243 3.085 ( 0.164 -4.596 2.519) 5.243 3.280 ( -2.696 -1.396 -1.287) 3.297 3.280 ( -2.696 -1.396 1.287) 3.297 3.503 ( -0.644 -6.366 -1.021) 6.479 3.503 ( -0.644 -6.366 1.021) 6.479 4.294 ( 1.287 -3.704 -1.223) 4.107 4.294 ( 1.287 -3.704 1.223) 4.107 4.386 ( 0.531 -4.767 -0.588) 4.833 4.386 ( 0.531 -4.767 0.588) 4.833 4.555 ( 1.576 4.639 -1.039) 5.008 4.555 ( 1.576 4.639 1.039) 5.008 4.786 ( -0.620 7.594 -4.245) 8.722 4.786 ( -0.620 7.594 4.245) 8.722 9.169 ( 0.416 0.083 -1.131) 1.208 9.169 ( 0.416 0.083 1.131) 1.208 9.357 ( -0.698 0.587 -1.747) 1.971 9.357 ( -0.698 0.587 1.747) 1.971 10.299 ( 2.019 11.645 -1.131) 11.872 10.299 ( 2.019 11.645 1.131) 11.872 10.697 ( -3.073 7.218 -5.705) 9.700 10.697 ( -3.073 7.218 5.705) 9.700 25.412 ( -0.368 20.692 -1.247) 20.732 25.412 ( -0.368 20.692 1.247) 20.732 25.486 ( -1.031 21.184 -0.458) 21.214 25.486 ( -1.031 21.184 0.458) 21.214 26.895 ( 4.627 -2.516 -0.313) 5.276 26.895 ( 4.627 -2.516 0.313) 5.276 27.392 ( -2.858 -1.459 -0.196) 3.215 27.392 ( -2.858 -1.459 0.196) 3.215 27.738 ( 4.467 5.344 -1.273) 7.080 27.738 ( 4.467 5.344 1.273) 7.080 28.330 ( -3.444 4.124 -2.953) 6.131 28.330 ( -3.444 4.124 2.953) 6.131 48.932 ( -0.251 -12.822 -0.586) 12.838 48.932 ( -0.251 -12.822 0.586) 12.838 48.989 ( -0.030 -13.592 -1.057) 13.633 48.989 ( -0.030 -13.592 1.057) 13.633 90.419 ( 2.804 11.041 -1.927) 11.553 90.419 ( 2.804 11.041 1.927) 11.553 91.213 ( -4.809 3.666 -11.802) 13.261 91.213 ( -4.809 3.666 11.802) 13.261 93.604 ( 0.458 13.705 -0.976) 13.748 93.604 ( 0.458 13.705 0.976) 13.748 94.096 ( -1.903 7.588 -4.915) 9.239 94.096 ( -1.903 7.588 4.915) 9.239 ======================= Grid point 333 (103/112) ======================= q-point: ( 0.33 0.33 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.322 ( -2.613 6.416 -3.592) 7.803 1.322 ( -2.613 6.416 3.592) 7.803 1.518 ( -4.768 1.819 -4.451) 6.772 1.518 ( -4.768 1.819 4.451) 6.772 1.731 ( 0.974 3.245 -3.061) 4.566 1.731 ( 0.974 3.245 3.061) 4.566 1.959 ( -1.025 6.327 -0.650) 6.443 1.959 ( -1.025 6.327 0.650) 6.443 2.215 ( 3.908 3.493 -2.924) 6.002 2.215 ( 3.908 3.493 2.924) 6.002 2.568 ( 1.420 0.591 -3.776) 4.078 2.568 ( 1.420 0.591 3.776) 4.078 2.816 ( 1.912 0.536 -1.809) 2.686 2.816 ( 1.912 0.536 1.809) 2.686 3.088 ( 0.196 -5.526 -2.102) 5.915 3.088 ( 0.196 -5.526 2.102) 5.915 3.213 ( -3.106 -3.694 -0.918) 4.913 3.213 ( -3.106 -3.694 0.918) 4.913 3.488 ( -0.677 -5.633 -0.552) 5.700 3.488 ( -0.677 -5.633 0.552) 5.700 4.324 ( 1.292 -3.519 -1.269) 3.958 4.324 ( 1.292 -3.519 1.269) 3.958 4.394 ( 0.200 -3.679 -0.791) 3.768 4.394 ( 0.200 -3.679 0.791) 3.768 4.603 ( 2.702 4.736 -2.079) 5.836 4.603 ( 2.702 4.736 2.079) 5.836 4.764 ( -1.398 5.833 -3.938) 7.176 4.764 ( -1.398 5.833 3.938) 7.176 9.179 ( 0.477 0.593 -0.909) 1.185 9.179 ( 0.477 0.593 0.909) 1.185 9.340 ( -0.770 -0.053 -1.224) 1.447 9.340 ( -0.770 -0.053 1.224) 1.447 10.356 ( 3.209 11.773 -1.721) 12.324 10.356 ( 3.209 11.773 1.721) 12.324 10.616 ( -4.213 8.887 -3.991) 10.614 10.616 ( -4.213 8.887 3.991) 10.614 25.405 ( -0.211 21.160 -0.720) 21.173 25.405 ( -0.211 21.160 0.720) 21.173 25.461 ( -1.158 20.903 -0.199) 20.936 25.461 ( -1.158 20.903 0.199) 20.936 27.020 ( 6.816 -2.997 -0.603) 7.470 27.020 ( 6.816 -2.997 0.603) 7.470 27.306 ( -5.189 -2.256 -0.385) 5.671 27.306 ( -5.189 -2.256 0.385) 5.671 27.866 ( 7.267 5.437 -2.235) 9.347 27.866 ( 7.267 5.437 2.235) 9.347 28.227 ( -6.164 4.178 -2.987) 8.024 28.227 ( -6.164 4.178 2.987) 8.024 48.927 ( -0.246 -12.429 -0.318) 12.436 48.927 ( -0.246 -12.429 0.318) 12.436 48.989 ( -0.034 -13.951 -0.596) 13.964 48.989 ( -0.034 -13.951 0.596) 13.964 90.495 ( 3.975 11.113 -2.078) 11.984 90.495 ( 3.975 11.113 2.078) 11.984 91.090 ( -5.991 4.580 -7.781) 10.836 91.090 ( -5.991 4.580 7.781) 10.836 93.615 ( 0.486 13.865 -0.513) 13.883 93.615 ( 0.486 13.865 0.513) 13.883 94.053 ( -1.826 8.823 -2.588) 9.374 94.053 ( -1.826 8.823 2.588) 9.374 ======================= Grid point 335 (104/112) ======================= q-point: (-0.50 0.33 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.290 ( 0.000 5.150 0.000) 5.150 1.290 ( 0.000 5.150 0.000) 5.150 1.460 ( 0.000 3.163 0.000) 3.163 1.460 ( 0.000 3.163 0.000) 3.163 1.749 ( 0.000 3.327 0.000) 3.327 1.749 ( 0.000 3.327 0.000) 3.327 1.944 ( -0.000 6.384 0.000) 6.384 1.944 ( 0.000 6.384 0.000) 6.384 2.268 ( 0.000 2.821 0.000) 2.821 2.268 ( 0.000 2.821 0.000) 2.821 2.578 ( 0.000 2.671 0.000) 2.671 2.578 ( 0.000 2.671 0.000) 2.671 2.838 ( 0.000 0.305 0.000) 0.305 2.838 ( 0.000 0.305 0.000) 0.305 3.093 ( -0.000 -5.940 0.000) 5.940 3.093 ( 0.000 -5.940 0.000) 5.940 3.174 ( -0.000 -5.537 0.000) 5.537 3.174 ( 0.000 -5.537 0.000) 5.537 3.480 ( 0.000 -5.205 0.000) 5.205 3.480 ( 0.000 -5.205 0.000) 5.205 4.339 ( 0.000 -3.004 0.000) 3.004 4.339 ( 0.000 -3.004 0.000) 3.004 4.396 ( 0.000 -3.644 0.000) 3.644 4.396 ( 0.000 -3.644 0.000) 3.644 4.641 ( 0.000 5.119 0.000) 5.119 4.641 ( 0.000 5.119 0.000) 5.119 4.742 ( -0.000 4.667 -0.000) 4.667 4.742 ( 0.000 4.667 0.000) 4.667 9.185 ( 0.000 0.941 0.000) 0.941 9.185 ( 0.000 0.941 0.000) 0.941 9.331 ( 0.000 -0.461 0.000) 0.461 9.331 ( 0.000 -0.461 0.000) 0.461 10.404 ( 0.000 11.720 0.000) 11.720 10.404 ( 0.000 11.720 0.000) 11.720 10.557 ( 0.000 9.810 0.000) 9.810 10.557 ( 0.000 9.810 0.000) 9.810 25.404 ( 0.000 21.505 0.000) 21.505 25.404 ( 0.000 21.505 0.000) 21.505 25.447 ( 0.000 20.629 0.000) 20.629 25.447 ( 0.000 20.629 0.000) 20.629 27.141 ( -0.000 -2.374 0.000) 2.374 27.141 ( 0.000 -2.374 0.000) 2.374 27.204 ( -0.000 -3.443 0.000) 3.443 27.204 ( 0.000 -3.443 0.000) 3.443 27.987 ( 0.000 5.859 0.000) 5.859 27.987 ( 0.000 5.859 0.000) 5.859 28.118 ( 0.000 3.795 -0.000) 3.795 28.118 ( 0.000 3.795 0.000) 3.795 48.924 ( 0.000 -12.254 0.000) 12.254 48.924 ( 0.000 -12.254 0.000) 12.254 48.988 ( 0.000 -14.110 0.000) 14.110 48.988 ( 0.000 -14.110 0.000) 14.110 90.548 ( 0.000 11.283 0.000) 11.283 90.548 ( 0.000 11.283 0.000) 11.283 91.014 ( -0.000 4.900 0.000) 4.900 91.014 ( 0.000 4.900 0.000) 4.900 93.620 ( 0.000 13.953 0.000) 13.953 93.620 ( 0.000 13.953 0.000) 13.953 94.032 ( 0.000 9.382 0.000) 9.382 94.032 ( 0.000 9.382 0.000) 9.382 ======================= Grid point 343 (105/112) ======================= q-point: ( 0.00 0.42 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.496 ( 0.000 5.903 -1.294) 6.043 1.496 ( 0.000 5.903 1.294) 6.043 1.705 ( 0.000 -1.607 -0.817) 1.802 1.705 ( 0.000 -1.607 0.817) 1.802 1.736 ( 0.000 -1.522 -0.424) 1.580 1.736 ( 0.000 -1.522 0.424) 1.580 2.106 ( 0.000 8.240 -0.385) 8.250 2.106 ( 0.000 8.241 0.385) 8.250 2.206 ( 0.000 1.951 -0.559) 2.030 2.206 ( 0.000 1.951 0.559) 2.030 2.428 ( 0.000 -2.434 -1.759) 3.003 2.428 ( 0.000 -2.434 1.759) 3.003 2.762 ( 0.000 -0.599 -2.846) 2.908 2.762 ( 0.000 -0.599 2.846) 2.908 3.005 ( 0.000 -3.624 -2.243) 4.262 3.005 ( 0.000 -3.624 2.243) 4.262 3.281 ( 0.000 -2.016 -0.528) 2.084 3.281 ( 0.000 -2.016 0.528) 2.084 3.414 ( 0.000 -2.109 -1.130) 2.393 3.414 ( 0.000 -2.109 1.130) 2.393 4.228 ( 0.000 -1.550 -1.825) 2.394 4.228 ( 0.000 -1.550 1.825) 2.394 4.273 ( 0.000 -4.369 -1.663) 4.674 4.273 ( 0.000 -4.369 1.663) 4.674 4.603 ( 0.000 1.928 -0.129) 1.932 4.603 ( 0.000 1.928 0.129) 1.932 4.925 ( 0.000 4.411 -2.091) 4.881 4.925 ( 0.000 4.411 2.091) 4.881 9.178 ( 0.000 1.095 -0.541) 1.222 9.178 ( 0.000 1.095 0.541) 1.222 9.393 ( 0.000 1.451 -1.051) 1.792 9.393 ( 0.000 1.451 1.052) 1.792 10.457 ( 0.000 6.143 -0.107) 6.144 10.457 ( 0.000 6.143 0.107) 6.144 10.819 ( 0.000 2.645 -3.057) 4.042 10.819 ( 0.000 2.645 3.057) 4.042 25.746 ( 0.000 11.738 -0.759) 11.762 25.746 ( 0.000 11.738 0.759) 11.762 25.848 ( 0.000 12.737 -0.120) 12.738 25.848 ( 0.000 12.737 0.120) 12.738 26.805 ( 0.000 -1.600 -0.075) 1.602 26.805 ( 0.000 -1.600 0.075) 1.602 27.399 ( 0.000 -1.056 -0.098) 1.061 27.399 ( 0.000 -1.056 0.098) 1.061 27.775 ( 0.000 3.004 -0.162) 3.008 27.775 ( 0.000 3.004 0.162) 3.008 28.435 ( 0.000 2.515 -1.482) 2.919 28.435 ( 0.000 2.515 1.482) 2.919 48.719 ( 0.000 -7.877 -0.357) 7.885 48.719 ( 0.000 -7.877 0.357) 7.885 48.775 ( 0.000 -7.599 -0.633) 7.625 48.775 ( 0.000 -7.599 0.633) 7.625 90.556 ( 0.000 5.668 -1.279) 5.811 90.556 ( 0.000 5.668 1.279) 5.811 91.259 ( 0.000 -2.145 -6.268) 6.625 91.259 ( 0.000 -2.145 6.268) 6.625 93.861 ( 0.000 11.026 -1.099) 11.081 93.861 ( 0.000 11.026 1.099) 11.081 94.227 ( 0.000 3.426 -4.326) 5.518 94.227 ( 0.000 3.426 4.326) 5.518 ======================= Grid point 345 (106/112) ======================= q-point: ( 0.17 0.42 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.500 ( -0.637 5.280 -1.633) 5.564 1.500 ( -0.637 5.280 1.633) 5.564 1.622 ( -4.831 0.183 -2.651) 5.514 1.622 ( -4.831 0.183 2.651) 5.514 1.759 ( 0.625 -0.877 -3.235) 3.409 1.759 ( 0.625 -0.877 3.235) 3.409 2.103 ( -1.023 6.192 -1.319) 6.413 2.103 ( -1.023 6.192 1.319) 6.413 2.212 ( 1.527 3.119 -2.942) 4.552 2.212 ( 1.527 3.119 2.942) 4.552 2.458 ( 2.594 -3.657 -2.804) 5.288 2.458 ( 2.594 -3.657 2.804) 5.288 2.790 ( 2.315 -0.426 -3.171) 3.949 2.790 ( 2.315 -0.426 3.171) 3.949 3.002 ( -0.304 -3.185 -2.539) 4.084 3.002 ( -0.304 -3.185 2.539) 4.084 3.255 ( -2.542 -1.077 -1.153) 2.992 3.255 ( -2.542 -1.077 1.153) 2.992 3.390 ( -1.881 -3.836 -1.301) 4.466 3.390 ( -1.881 -3.836 1.301) 4.466 4.244 ( 1.406 -1.383 -2.011) 2.817 4.244 ( 1.406 -1.383 2.011) 2.817 4.291 ( 1.490 -3.951 -1.612) 4.520 4.291 ( 1.490 -3.951 1.612) 4.520 4.623 ( 1.819 2.047 -0.439) 2.773 4.623 ( 1.819 2.047 0.439) 2.773 4.904 ( -1.935 3.859 -2.178) 4.835 4.904 ( -1.935 3.859 2.178) 4.835 9.187 ( 0.879 1.338 -0.604) 1.711 9.187 ( 0.879 1.338 0.604) 1.711 9.379 ( -1.235 1.187 -1.022) 1.994 9.379 ( -1.235 1.187 1.022) 1.994 10.481 ( 2.255 6.279 -0.633) 6.702 10.481 ( 2.255 6.279 0.633) 6.702 10.797 ( -2.047 3.021 -2.812) 4.607 10.797 ( -2.047 3.021 2.812) 4.607 25.746 ( 0.010 11.921 -0.686) 11.941 25.746 ( 0.010 11.921 0.686) 11.941 25.834 ( -1.222 12.652 -0.081) 12.711 25.834 ( -1.222 12.652 0.081) 12.711 26.851 ( 4.155 -1.801 -0.121) 4.530 26.851 ( 4.155 -1.801 0.121) 4.530 27.364 ( -3.324 -1.244 -0.102) 3.551 27.364 ( -3.324 -1.244 0.102) 3.551 27.824 ( 4.603 3.078 -0.686) 5.579 27.824 ( 4.603 3.078 0.686) 5.579 28.398 ( -3.426 2.513 -1.529) 4.516 28.398 ( -3.426 2.513 1.529) 4.516 48.720 ( 0.107 -7.735 -0.362) 7.744 48.720 ( 0.107 -7.735 0.362) 7.744 48.771 ( -0.371 -7.736 -0.607) 7.769 48.771 ( -0.371 -7.736 0.607) 7.769 90.587 ( 2.914 5.764 -1.448) 6.619 90.587 ( 2.914 5.764 1.448) 6.619 91.210 ( -4.466 -2.150 -5.786) 7.619 91.210 ( -4.466 -2.150 5.786) 7.619 93.874 ( 1.095 11.546 -1.084) 11.649 93.874 ( 1.095 11.546 1.084) 11.649 94.212 ( -1.360 3.452 -3.776) 5.294 94.212 ( -1.360 3.452 3.776) 5.294 ======================= Grid point 347 (107/112) ======================= q-point: ( 0.33 0.42 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.445 ( -3.466 4.858 -1.715) 6.209 1.445 ( -3.466 4.858 1.715) 6.209 1.538 ( -3.214 0.991 -3.173) 4.624 1.538 ( -3.214 0.991 3.173) 4.624 1.791 ( 2.407 2.706 -2.226) 4.251 1.791 ( 2.407 2.706 2.226) 4.251 2.057 ( -2.691 2.251 -1.559) 3.839 2.057 ( -2.691 2.251 1.559) 3.839 2.274 ( 3.411 3.699 -2.987) 5.851 2.274 ( 3.411 3.699 2.987) 5.851 2.517 ( 2.469 -4.910 -2.332) 5.970 2.517 ( 2.469 -4.910 2.332) 5.970 2.843 ( 2.519 0.751 -3.026) 4.008 2.843 ( 2.519 0.751 3.026) 4.008 2.994 ( -0.306 -2.806 -3.095) 4.189 2.994 ( -0.306 -2.806 3.095) 4.189 3.178 ( -4.265 0.311 -1.802) 4.641 3.178 ( -4.265 0.311 1.802) 4.641 3.354 ( -1.289 -6.834 -1.060) 7.035 3.354 ( -1.289 -6.834 1.060) 7.035 4.278 ( 1.608 -1.055 -1.548) 2.468 4.278 ( 1.608 -1.055 1.548) 2.468 4.322 ( 1.106 -3.013 -0.855) 3.321 4.322 ( 1.106 -3.013 0.855) 3.321 4.676 ( 3.110 2.349 -1.061) 4.039 4.676 ( 3.110 2.349 1.061) 4.039 4.849 ( -3.145 2.470 -2.164) 4.547 4.849 ( -3.145 2.470 2.164) 4.547 9.212 ( 1.324 2.164 -0.614) 2.610 9.212 ( 1.324 2.164 0.614) 2.610 9.347 ( -1.676 0.330 -0.834) 1.901 9.347 ( -1.676 0.330 0.834) 1.901 10.544 ( 3.499 6.627 -1.077) 7.571 10.544 ( 3.499 6.627 1.077) 7.571 10.739 ( -3.287 3.674 -2.167) 5.385 10.739 ( -3.287 3.674 2.167) 5.385 25.749 ( 0.349 12.362 -0.498) 12.377 25.749 ( 0.349 12.362 0.498) 12.377 25.803 ( -1.571 12.383 -0.107) 12.482 25.803 ( -1.571 12.383 0.107) 12.482 26.968 ( 6.746 -2.045 -0.218) 7.052 26.968 ( 6.746 -2.045 0.218) 7.052 27.265 ( -5.950 -1.726 -0.147) 6.197 27.265 ( -5.950 -1.726 0.147) 6.197 27.956 ( 7.544 3.285 -1.209) 8.317 27.956 ( 7.544 3.285 1.209) 8.317 28.294 ( -6.332 2.430 -1.580) 6.964 28.294 ( -6.332 2.430 1.580) 6.964 48.723 ( 0.182 -7.317 -0.316) 7.326 48.723 ( 0.182 -7.317 0.316) 7.326 48.762 ( -0.446 -8.145 -0.463) 8.170 48.762 ( -0.446 -8.145 0.463) 8.170 90.671 ( 4.660 6.465 -1.708) 8.151 90.671 ( 4.660 6.465 1.708) 8.151 91.091 ( -6.219 -2.665 -4.231) 7.980 91.091 ( -6.219 -2.665 4.231) 7.980 93.901 ( 1.297 12.885 -0.846) 12.978 93.901 ( 1.297 12.885 0.846) 12.978 94.178 ( -1.532 3.172 -2.286) 4.199 94.178 ( -1.532 3.172 2.286) 4.199 ======================= Grid point 349 (108/112) ======================= q-point: (-0.50 0.42 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.404 ( 0.000 5.583 0.000) 5.583 1.404 ( 0.000 5.583 0.000) 5.583 1.500 ( 0.000 0.788 0.000) 0.788 1.500 ( 0.000 0.788 0.000) 0.788 1.826 ( 0.000 4.749 0.000) 4.749 1.826 ( 0.000 4.749 0.000) 4.749 2.021 ( 0.000 0.130 0.000) 0.130 2.021 ( 0.000 0.130 0.000) 0.130 2.316 ( 0.000 3.083 0.000) 3.083 2.316 ( 0.000 3.083 0.000) 3.083 2.545 ( 0.000 -5.116 0.000) 5.116 2.545 ( 0.000 -5.116 0.000) 5.116 2.877 ( -0.000 2.716 0.000) 2.716 2.877 ( 0.000 2.716 0.000) 2.716 2.992 ( -0.000 -3.991 -0.000) 3.991 2.992 ( 0.000 -3.991 -0.000) 3.991 3.120 ( -0.000 0.704 0.000) 0.704 3.120 ( 0.000 0.704 0.000) 0.704 3.340 ( 0.000 -7.872 0.000) 7.872 3.340 ( 0.000 -7.872 0.000) 7.872 4.298 ( -0.000 -0.911 0.000) 0.911 4.298 ( -0.000 -0.911 0.000) 0.911 4.333 ( 0.000 -2.452 0.000) 2.452 4.333 ( 0.000 -2.452 0.000) 2.452 4.728 ( 0.000 3.429 0.000) 3.429 4.728 ( 0.000 3.429 0.000) 3.429 4.797 ( -0.000 0.724 -0.000) 0.724 4.797 ( 0.000 0.724 0.000) 0.724 9.230 ( 0.000 3.155 0.000) 3.155 9.230 ( 0.000 3.155 0.000) 3.155 9.324 ( -0.000 -0.671 0.000) 0.671 9.324 ( 0.000 -0.671 0.000) 0.671 10.599 ( -0.000 7.458 0.000) 7.458 10.599 ( 0.000 7.458 0.000) 7.458 10.686 ( -0.000 3.332 0.000) 3.332 10.686 ( 0.000 3.332 0.000) 3.332 25.757 ( 0.000 12.953 0.000) 12.953 25.757 ( 0.000 12.953 0.000) 12.953 25.781 ( -0.000 11.866 0.000) 11.866 25.781 ( 0.000 11.866 0.000) 11.866 27.103 ( -0.000 -1.241 0.000) 1.241 27.103 ( 0.000 -1.241 0.000) 1.241 27.139 ( -0.000 -2.869 0.000) 2.869 27.139 ( 0.000 -2.869 0.000) 2.869 28.095 ( 0.000 4.598 0.000) 4.598 28.095 ( 0.000 4.598 0.000) 4.598 28.169 ( -0.000 1.172 0.000) 1.172 28.169 ( -0.000 1.172 0.000) 1.172 48.726 ( 0.000 -6.940 0.000) 6.940 48.726 ( 0.000 -6.940 0.000) 6.940 48.756 ( 0.000 -8.518 0.000) 8.518 48.756 ( 0.000 -8.518 0.000) 8.518 90.738 ( -0.000 8.146 0.000) 8.146 90.738 ( 0.000 8.146 0.000) 8.146 91.005 ( -0.000 -4.250 0.000) 4.250 91.005 ( 0.000 -4.250 0.000) 4.250 93.917 ( 0.000 13.829 0.000) 13.829 93.917 ( 0.000 13.829 0.000) 13.829 94.160 ( 0.000 2.741 0.000) 2.741 94.160 ( 0.000 2.741 0.000) 2.741 ======================= Grid point 357 (109/112) ======================= q-point: ( 0.00 -0.50 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 56 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.570 ( 0.000 0.000 0.000) 0.000 1.570 ( 0.000 0.000 0.000) 0.000 1.682 ( 0.000 0.000 0.000) 0.000 1.682 ( 0.000 0.000 0.000) 0.000 1.703 ( 0.000 -0.000 -0.000) 0.000 1.703 ( 0.000 -0.000 0.000) 0.000 2.198 ( 0.000 0.000 0.000) 0.000 2.198 ( 0.000 0.000 0.000) 0.000 2.290 ( 0.000 -0.000 -0.000) 0.000 2.290 ( 0.000 -0.000 0.000) 0.000 2.342 ( 0.000 0.000 0.000) 0.000 2.342 ( 0.000 0.000 0.000) 0.000 2.754 ( 0.000 0.000 -0.000) 0.000 2.754 ( 0.000 0.000 0.000) 0.000 2.959 ( 0.000 0.000 0.000) 0.000 2.959 ( 0.000 0.000 0.000) 0.000 3.258 ( 0.000 0.000 0.000) 0.000 3.258 ( 0.000 0.000 0.000) 0.000 3.400 ( 0.000 0.000 0.000) 0.000 3.400 ( 0.000 0.000 0.000) 0.000 4.218 ( 0.000 -0.000 -0.000) 0.000 4.218 ( 0.000 0.000 -0.000) 0.000 4.221 ( 0.000 -0.000 0.000) 0.000 4.221 ( 0.000 0.000 0.000) 0.000 4.622 ( 0.000 0.000 0.000) 0.000 4.622 ( 0.000 0.000 0.000) 0.000 4.968 ( 0.000 0.000 0.000) 0.000 4.968 ( 0.000 0.000 0.000) 0.000 9.192 ( 0.000 0.000 0.000) 0.000 9.192 ( 0.000 0.000 0.000) 0.000 9.409 ( 0.000 0.000 0.000) 0.000 9.409 ( 0.000 0.000 0.000) 0.000 10.519 ( 0.000 0.000 0.000) 0.000 10.519 ( 0.000 0.000 0.000) 0.000 10.845 ( 0.000 0.000 0.000) 0.000 10.845 ( 0.000 0.000 0.000) 0.000 25.867 ( 0.000 0.000 0.000) 0.000 25.867 ( 0.000 0.000 0.000) 0.000 25.980 ( 0.000 0.000 0.000) 0.000 25.980 ( 0.000 0.000 0.000) 0.000 26.788 ( 0.000 0.000 0.000) 0.000 26.788 ( 0.000 0.000 0.000) 0.000 27.387 ( 0.000 0.000 0.000) 0.000 27.387 ( 0.000 0.000 0.000) 0.000 27.806 ( 0.000 0.000 0.000) 0.000 27.806 ( 0.000 0.000 0.000) 0.000 28.461 ( 0.000 0.000 0.000) 0.000 28.461 ( 0.000 0.000 0.000) 0.000 48.638 ( 0.000 0.000 0.000) 0.000 48.638 ( 0.000 0.000 0.000) 0.000 48.697 ( 0.000 0.000 0.000) 0.000 48.697 ( 0.000 0.000 0.000) 0.000 90.614 ( 0.000 0.000 0.000) 0.000 90.614 ( 0.000 0.000 0.000) 0.000 91.231 ( 0.000 0.000 0.000) 0.000 91.231 ( 0.000 0.000 0.000) 0.000 93.983 ( 0.000 0.000 0.000) 0.000 93.983 ( 0.000 0.000 0.000) 0.000 94.257 ( 0.000 0.000 0.000) 0.000 94.257 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 361 (110/112) ======================= q-point: ( 0.17 -0.50 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.542 ( -2.571 0.000 0.000) 2.571 1.542 ( -2.571 0.000 0.000) 2.571 1.659 ( -3.911 -0.000 -0.000) 3.911 1.659 ( -3.911 0.000 0.000) 3.911 1.722 ( 3.838 0.000 0.000) 3.838 1.722 ( 3.838 0.000 0.000) 3.838 2.157 ( -3.637 0.000 0.000) 3.637 2.157 ( -3.637 0.000 0.000) 3.637 2.315 ( 2.368 -0.000 0.000) 2.368 2.315 ( 2.368 0.000 -0.000) 2.368 2.363 ( 1.793 0.000 0.000) 1.793 2.363 ( 1.793 0.000 0.000) 1.793 2.779 ( 2.286 0.000 -0.000) 2.286 2.779 ( 2.286 0.000 0.000) 2.286 2.968 ( 0.658 0.000 0.000) 0.658 2.968 ( 0.658 0.000 0.000) 0.658 3.242 ( -1.407 0.000 0.000) 1.407 3.242 ( -1.407 0.000 0.000) 1.407 3.355 ( -3.980 0.000 0.000) 3.980 3.355 ( -3.980 0.000 0.000) 3.980 4.239 ( 1.575 -0.000 -0.000) 1.575 4.239 ( 1.575 -0.000 -0.000) 1.575 4.241 ( 1.925 -0.000 0.000) 1.925 4.241 ( 1.925 0.000 0.000) 1.925 4.642 ( 1.918 0.000 0.000) 1.918 4.642 ( 1.918 0.000 0.000) 1.918 4.942 ( -2.467 0.000 0.000) 2.467 4.942 ( -2.467 0.000 0.000) 2.467 9.204 ( 1.168 0.000 0.000) 1.168 9.204 ( 1.168 0.000 0.000) 1.168 9.392 ( -1.538 0.000 0.000) 1.538 9.392 ( -1.538 0.000 0.000) 1.538 10.545 ( 2.395 0.000 0.000) 2.395 10.545 ( 2.395 0.000 0.000) 2.395 10.826 ( -1.739 0.000 0.000) 1.739 10.826 ( -1.739 0.000 0.000) 1.739 25.869 ( 0.186 0.000 0.000) 0.186 25.869 ( 0.186 0.000 0.000) 0.186 25.966 ( -1.307 0.000 0.000) 1.307 25.966 ( -1.307 0.000 0.000) 1.307 26.831 ( 3.996 0.000 0.000) 3.996 26.831 ( 3.996 0.000 0.000) 3.996 27.350 ( -3.503 0.000 0.000) 3.503 27.350 ( -3.503 0.000 0.000) 3.503 27.856 ( 4.675 0.000 0.000) 4.675 27.856 ( 4.675 0.000 0.000) 4.675 28.425 ( -3.437 0.000 0.000) 3.437 28.425 ( -3.437 0.000 0.000) 3.437 48.640 ( 0.242 0.000 0.000) 0.242 48.640 ( 0.242 0.000 0.000) 0.242 48.692 ( -0.503 0.000 0.000) 0.503 48.692 ( -0.503 0.000 0.000) 0.503 90.647 ( 3.111 0.000 0.000) 3.111 90.647 ( 3.111 0.000 0.000) 3.111 91.181 ( -4.609 0.000 0.000) 4.609 91.181 ( -4.609 0.000 0.000) 4.609 94.003 ( 1.853 0.000 0.000) 1.853 94.003 ( 1.853 0.000 0.000) 1.853 94.239 ( -1.625 0.000 0.000) 1.625 94.239 ( -1.625 0.000 0.000) 1.625 ======================= Grid point 365 (111/112) ======================= q-point: ( 0.33 -0.50 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.487 ( -1.863 0.000 0.000) 1.863 1.487 ( -1.863 0.000 0.000) 1.863 1.562 ( -4.740 -0.000 0.000) 4.740 1.562 ( -4.740 0.000 0.000) 4.740 1.826 ( 5.545 0.000 0.000) 5.545 1.826 ( 5.545 0.000 0.000) 5.545 2.060 ( -5.310 0.000 0.000) 5.310 2.060 ( -5.310 0.000 0.000) 5.310 2.377 ( 3.013 -0.000 0.000) 3.013 2.377 ( 3.013 0.000 -0.000) 3.013 2.403 ( 1.679 -0.000 0.000) 1.679 2.403 ( 1.679 0.000 0.000) 1.679 2.843 ( 3.760 0.000 -0.000) 3.760 2.843 ( 3.760 0.000 0.000) 3.760 2.974 ( -0.487 0.000 0.000) 0.487 2.974 ( -0.487 0.000 0.000) 0.487 3.208 ( -1.556 -0.000 0.000) 1.556 3.208 ( -1.556 0.000 0.000) 1.556 3.256 ( -4.719 0.000 0.000) 4.719 3.256 ( -4.719 0.000 0.000) 4.719 4.277 ( 1.722 -0.000 -0.000) 1.722 4.277 ( 1.722 -0.000 0.000) 1.722 4.283 ( 1.666 -0.000 -0.000) 1.666 4.283 ( 1.666 0.000 0.000) 1.666 4.699 ( 3.426 0.000 0.000) 3.426 4.699 ( 3.426 0.000 0.000) 3.426 4.871 ( -4.045 0.000 0.000) 4.045 4.871 ( -4.045 0.000 0.000) 4.045 9.240 ( 2.174 0.000 0.000) 2.174 9.240 ( 2.174 0.000 0.000) 2.174 9.348 ( -2.532 0.000 0.000) 2.532 9.348 ( -2.532 0.000 0.000) 2.532 10.612 ( 3.839 0.000 0.000) 3.839 10.612 ( 3.839 0.000 0.000) 3.839 10.774 ( -3.191 0.000 0.000) 3.191 10.774 ( -3.191 0.000 0.000) 3.191 25.877 ( 0.635 0.000 0.000) 0.635 25.877 ( 0.635 0.000 0.000) 0.635 25.931 ( -1.780 0.000 0.000) 1.780 25.931 ( -1.780 0.000 0.000) 1.780 26.946 ( 6.724 0.000 0.000) 6.724 26.946 ( 6.724 0.000 0.000) 6.724 27.245 ( -6.239 0.000 0.000) 6.239 27.245 ( -6.239 0.000 0.000) 6.239 27.990 ( 7.734 0.000 0.000) 7.734 27.990 ( 7.734 0.000 0.000) 7.734 28.319 ( -6.469 0.000 0.000) 6.469 28.319 ( -6.469 0.000 0.000) 6.469 48.648 ( 0.514 0.000 0.000) 0.514 48.648 ( 0.514 0.000 0.000) 0.514 48.678 ( -0.775 0.000 0.000) 0.775 48.678 ( -0.775 0.000 0.000) 0.775 90.742 ( 5.920 -0.000 0.000) 5.920 90.742 ( 5.920 0.000 0.000) 5.920 91.050 ( -7.422 0.000 0.000) 7.422 91.050 ( -7.422 0.000 0.000) 7.422 94.057 ( 3.068 0.000 0.000) 3.068 94.057 ( 3.068 0.000 0.000) 3.068 94.192 ( -2.828 0.000 0.000) 2.828 94.192 ( -2.828 0.000 0.000) 2.828 ======================= Grid point 369 (112/112) ======================= q-point: (-0.50 -0.50 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 56 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.486 ( -0.757 -2.147 0.000) 2.277 1.486 ( -0.757 -2.147 0.000) 2.277 1.486 ( 0.757 2.147 0.000) 2.277 1.486 ( 0.757 2.147 0.000) 2.277 1.944 ( -2.292 -5.812 0.000) 6.248 1.944 ( -2.292 -5.812 0.000) 6.248 1.944 ( 2.292 5.812 0.000) 6.248 1.944 ( 2.292 5.812 0.000) 6.248 2.418 ( -0.024 -6.537 0.000) 6.537 2.418 ( -0.024 -6.537 0.000) 6.537 2.418 ( 0.024 6.537 0.000) 6.537 2.418 ( 0.024 6.537 0.000) 6.537 2.929 ( -2.266 -2.060 0.000) 3.062 2.929 ( -2.266 -2.060 0.000) 3.062 2.929 ( 2.266 2.060 -0.000) 3.062 2.929 ( 2.266 2.060 -0.000) 3.062 3.194 ( -0.049 -6.075 0.000) 6.075 3.194 ( -0.049 -6.075 0.000) 6.075 3.194 ( 0.049 6.075 0.000) 6.075 3.194 ( 0.049 6.075 0.000) 6.075 4.299 ( -0.026 -0.903 0.000) 0.903 4.299 ( -0.026 -0.903 0.000) 0.903 4.299 ( 0.026 0.903 0.000) 0.903 4.299 ( 0.026 0.903 0.000) 0.903 4.781 ( -3.238 -1.241 0.000) 3.467 4.781 ( -3.237 -1.241 0.000) 3.467 4.781 ( 3.237 1.241 0.000) 3.467 4.781 ( 3.238 1.241 0.000) 3.467 9.292 ( -1.272 -2.277 0.000) 2.608 9.292 ( -1.272 -2.277 0.000) 2.608 9.292 ( 1.272 2.277 0.000) 2.608 9.292 ( 1.272 2.277 0.000) 2.608 10.697 ( -2.715 -1.620 0.000) 3.162 10.697 ( -2.715 -1.620 0.000) 3.162 10.697 ( 2.715 1.620 0.000) 3.162 10.697 ( 2.715 1.620 0.000) 3.162 25.897 ( -0.989 -0.425 0.000) 1.077 25.897 ( -0.989 -0.425 0.000) 1.077 25.897 ( 0.989 0.425 0.000) 1.077 25.897 ( 0.989 0.425 0.000) 1.077 27.099 ( -7.259 -0.219 0.000) 7.263 27.099 ( -7.259 -0.219 0.000) 7.263 27.099 ( 7.259 0.219 0.000) 7.263 27.099 ( 7.259 0.219 0.000) 7.263 28.162 ( -7.470 -0.809 0.000) 7.514 28.162 ( -7.470 -0.809 0.000) 7.514 28.162 ( 7.470 0.809 0.000) 7.514 28.162 ( 7.470 0.809 0.000) 7.514 48.661 ( -0.336 -0.655 0.000) 0.737 48.661 ( -0.336 -0.655 0.000) 0.737 48.661 ( 0.336 0.655 0.000) 0.737 48.661 ( 0.336 0.655 0.000) 0.737 90.888 ( -3.770 -5.966 0.000) 7.057 90.888 ( -3.770 -5.966 0.000) 7.057 90.888 ( 3.770 5.966 0.000) 7.057 90.888 ( 3.770 5.966 0.000) 7.057 94.126 ( -0.870 -6.077 0.000) 6.139 94.126 ( -0.870 -6.077 0.000) 6.139 94.126 ( 0.870 6.077 0.000) 6.139 94.126 ( 0.870 6.077 0.000) 6.139 =================== 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 3/25920 10.0 8.041 14.024 9.195 0.000 0.000 0.000 3/25920 20.0 2.160 4.876 2.336 0.000 0.000 0.000 3/25920 30.0 1.139 2.612 1.165 0.000 0.000 -0.000 3/25920 40.0 0.783 1.773 0.772 0.000 0.000 -0.000 3/25920 50.0 0.606 1.369 0.586 0.000 0.000 -0.000 3/25920 60.0 0.500 1.141 0.477 0.000 0.000 -0.000 3/25920 70.0 0.430 1.000 0.406 0.000 0.000 -0.000 3/25920 80.0 0.381 0.906 0.356 0.000 0.000 -0.000 3/25920 90.0 0.344 0.841 0.318 0.000 0.000 -0.000 3/25920 100.0 0.316 0.793 0.288 0.000 0.000 -0.000 3/25920 110.0 0.293 0.756 0.264 0.000 0.000 -0.000 3/25920 120.0 0.274 0.725 0.244 0.000 0.000 -0.000 3/25920 130.0 0.258 0.699 0.227 0.000 0.000 -0.000 3/25920 140.0 0.245 0.675 0.212 0.000 0.000 -0.000 3/25920 150.0 0.233 0.654 0.200 0.000 0.000 -0.000 3/25920 160.0 0.222 0.635 0.188 0.000 0.000 -0.000 3/25920 170.0 0.212 0.617 0.178 0.000 0.000 -0.000 3/25920 180.0 0.204 0.600 0.169 0.000 0.000 -0.000 3/25920 190.0 0.196 0.585 0.161 0.000 0.000 -0.000 3/25920 200.0 0.189 0.570 0.154 0.000 0.000 -0.000 3/25920 210.0 0.183 0.556 0.148 0.000 0.000 -0.000 3/25920 220.0 0.177 0.543 0.142 0.000 0.000 -0.000 3/25920 230.0 0.171 0.531 0.136 0.000 0.000 -0.000 3/25920 240.0 0.167 0.519 0.131 0.000 0.000 -0.000 3/25920 250.0 0.162 0.508 0.126 0.000 0.000 -0.000 3/25920 260.0 0.158 0.498 0.122 0.000 0.000 -0.000 3/25920 270.0 0.154 0.488 0.118 0.000 0.000 -0.000 3/25920 280.0 0.150 0.479 0.114 0.000 0.000 -0.000 3/25920 290.0 0.147 0.471 0.111 0.000 0.000 -0.000 3/25920 300.0 0.143 0.463 0.107 0.000 0.000 -0.000 3/25920 310.0 0.140 0.455 0.104 0.000 0.000 -0.000 3/25920 320.0 0.137 0.448 0.101 0.000 0.000 -0.000 3/25920 330.0 0.134 0.441 0.099 0.000 0.000 -0.000 3/25920 340.0 0.132 0.435 0.096 0.000 0.000 -0.000 3/25920 350.0 0.129 0.429 0.094 0.000 0.000 -0.000 3/25920 360.0 0.127 0.423 0.091 0.000 0.000 -0.000 3/25920 370.0 0.124 0.418 0.089 0.000 0.000 -0.000 3/25920 380.0 0.122 0.413 0.087 0.000 0.000 -0.000 3/25920 390.0 0.120 0.408 0.085 0.000 0.000 -0.000 3/25920 400.0 0.118 0.404 0.083 0.000 0.000 -0.000 3/25920 410.0 0.116 0.400 0.081 0.000 0.000 -0.000 3/25920 420.0 0.114 0.396 0.080 0.000 0.000 -0.000 3/25920 430.0 0.112 0.393 0.078 0.000 0.000 -0.000 3/25920 440.0 0.110 0.390 0.076 0.000 0.000 -0.000 3/25920 450.0 0.109 0.387 0.075 0.000 0.000 -0.000 3/25920 460.0 0.107 0.384 0.073 0.000 0.000 -0.000 3/25920 470.0 0.105 0.381 0.072 0.000 0.000 -0.000 3/25920 480.0 0.104 0.379 0.071 0.000 0.000 -0.000 3/25920 490.0 0.102 0.377 0.069 0.000 0.000 -0.000 3/25920 500.0 0.101 0.374 0.068 0.000 0.000 -0.000 3/25920 510.0 0.099 0.372 0.067 0.000 0.000 -0.000 3/25920 520.0 0.098 0.371 0.066 0.000 0.000 -0.000 3/25920 530.0 0.096 0.369 0.065 0.000 0.000 -0.000 3/25920 540.0 0.095 0.367 0.064 0.000 0.000 -0.000 3/25920 550.0 0.094 0.366 0.062 0.000 0.000 -0.000 3/25920 560.0 0.092 0.364 0.061 0.000 0.000 -0.000 3/25920 570.0 0.091 0.363 0.061 0.000 0.000 -0.000 3/25920 580.0 0.090 0.362 0.060 0.000 0.000 -0.000 3/25920 590.0 0.089 0.361 0.059 0.000 0.000 -0.000 3/25920 600.0 0.088 0.360 0.058 0.000 0.000 -0.000 3/25920 610.0 0.087 0.359 0.057 0.000 0.000 -0.000 3/25920 620.0 0.086 0.358 0.056 0.000 0.000 -0.000 3/25920 630.0 0.084 0.357 0.055 0.000 0.000 -0.000 3/25920 640.0 0.083 0.356 0.055 0.000 0.000 -0.000 3/25920 650.0 0.082 0.355 0.054 0.000 0.000 -0.000 3/25920 660.0 0.081 0.354 0.053 0.000 0.000 -0.000 3/25920 670.0 0.080 0.354 0.052 0.000 0.000 -0.000 3/25920 680.0 0.080 0.353 0.052 0.000 0.000 -0.000 3/25920 690.0 0.079 0.352 0.051 0.000 0.000 -0.000 3/25920 700.0 0.078 0.352 0.050 0.000 0.000 -0.000 3/25920 710.0 0.077 0.351 0.050 0.000 0.000 -0.000 3/25920 720.0 0.076 0.351 0.049 0.000 0.000 -0.000 3/25920 730.0 0.075 0.350 0.048 0.000 0.000 -0.000 3/25920 740.0 0.074 0.349 0.048 0.000 0.000 -0.000 3/25920 750.0 0.073 0.349 0.047 0.000 0.000 -0.000 3/25920 760.0 0.073 0.348 0.047 0.000 0.000 -0.000 3/25920 770.0 0.072 0.348 0.046 0.000 0.000 -0.000 3/25920 780.0 0.071 0.347 0.046 0.000 0.000 -0.000 3/25920 790.0 0.070 0.347 0.045 0.000 0.000 -0.000 3/25920 800.0 0.070 0.346 0.045 0.000 0.000 -0.000 3/25920 810.0 0.069 0.346 0.044 0.000 0.000 -0.000 3/25920 820.0 0.068 0.345 0.044 0.000 0.000 -0.000 3/25920 830.0 0.068 0.345 0.043 0.000 0.000 -0.000 3/25920 840.0 0.067 0.345 0.043 0.000 0.000 -0.000 3/25920 850.0 0.066 0.344 0.042 0.000 0.000 -0.000 3/25920 860.0 0.066 0.344 0.042 0.000 0.000 -0.000 3/25920 870.0 0.065 0.343 0.041 0.000 0.000 -0.000 3/25920 880.0 0.064 0.343 0.041 0.000 0.000 -0.000 3/25920 890.0 0.064 0.342 0.041 0.000 0.000 -0.000 3/25920 900.0 0.063 0.342 0.040 0.000 0.000 -0.000 3/25920 910.0 0.063 0.342 0.040 0.000 0.000 -0.000 3/25920 920.0 0.062 0.341 0.039 0.000 0.000 -0.000 3/25920 930.0 0.061 0.341 0.039 0.000 0.000 -0.000 3/25920 940.0 0.061 0.340 0.039 0.000 0.000 -0.000 3/25920 950.0 0.060 0.340 0.038 0.000 0.000 -0.000 3/25920 960.0 0.060 0.339 0.038 0.000 0.000 -0.000 3/25920 970.0 0.059 0.339 0.038 0.000 0.000 -0.000 3/25920 980.0 0.059 0.339 0.037 0.000 0.000 -0.000 3/25920 990.0 0.058 0.338 0.037 0.000 0.000 -0.000 3/25920 1000.0 0.058 0.338 0.037 0.000 0.000 -0.000 3/25920 Thermal conductivity related properties were written into "kappa-m6126.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 05:36:09]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|