----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-08 02:24:04]------------------------- 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 2 1] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P2_1/c (14) Number of symmetry operations in supercell: 16 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 5.281728102321842 0.000000000000000 0.000000000000000 b 0.000000000000000 8.477549289999999 0.000000000000000 c -4.358858785010857 0.000000000000000 7.713559199134139 Atomic positions (fractional): *1 O 0.28861511228321 0.93466587556923 0.86375296211284 15.999 2 O 0.71138488771679 0.43466587556923 0.63624703788716 15.999 3 O 0.71138488771679 0.06533412443077 0.13624703788716 15.999 4 O 0.28861511228321 0.56533412443077 0.36375296211284 15.999 *5 O 0.78371433900678 0.80307084156703 0.61663084674607 15.999 6 O 0.21628566099322 0.30307084156703 0.88336915325393 15.999 7 O 0.21628566099322 0.19692915843297 0.38336915325393 15.999 8 O 0.78371433900678 0.69692915843297 0.11663084674607 15.999 *9 O 0.21952194217605 0.86262004841292 0.53429851921261 15.999 10 O 0.78047805782395 0.36262004841292 0.96570148078739 15.999 *11 O 0.32426046948760 0.87043363035719 0.25437443238005 15.999 12 O 0.67573953051240 0.37043363035719 0.24562556761995 15.999 13 O 0.67573953051240 0.12956636964281 0.74562556761995 15.999 14 O 0.32426046948760 0.62956636964281 0.75437443238005 15.999 15 O 0.21952194217605 0.63737995158708 0.03429851921261 15.999 16 O 0.78047805782395 0.13737995158708 0.46570148078739 15.999 *17 Zn 0.51769853467748 0.86013744136245 0.11070404295464 65.380 18 Zn 0.48230146532252 0.36013744136245 0.38929595704536 65.380 19 Zn 0.48230146532252 0.13986255863755 0.88929595704536 65.380 20 Zn 0.51769853467748 0.63986255863755 0.61070404295464 65.380 *21 Zn 0.50000000000000 0.00000000000000 0.50000000000000 65.380 22 Zn 0.50000000000000 0.50000000000000 0.00000000000000 65.380 *23 As 0.14735026900650 0.69204850472450 0.19302883356318 74.922 24 As 0.85264973099350 0.19204850472450 0.30697116643682 74.922 25 As 0.85264973099350 0.30795149527549 0.80697116643682 74.922 26 As 0.14735026900650 0.80795149527550 0.69302883356318 74.922 -------------------------------- unit cell --------------------------------- Lattice vectors: a 5.281728102321842 0.000000000000000 0.000000000000000 b 0.000000000000000 8.477549289999999 0.000000000000000 c -4.358858785010857 0.000000000000000 7.713559199134139 Atomic positions (fractional): *1 O 0.28861511228321 0.93466587556923 0.86375296211284 15.999 > 1 2 O 0.71138488771679 0.43466587556923 0.63624703788716 15.999 > 2 3 O 0.71138488771679 0.06533412443077 0.13624703788716 15.999 > 3 4 O 0.28861511228321 0.56533412443077 0.36375296211284 15.999 > 4 *5 O 0.78371433900678 0.80307084156703 0.61663084674607 15.999 > 5 6 O 0.21628566099322 0.30307084156703 0.88336915325393 15.999 > 6 7 O 0.21628566099322 0.19692915843297 0.38336915325393 15.999 > 7 8 O 0.78371433900678 0.69692915843297 0.11663084674607 15.999 > 8 *9 O 0.21952194217605 0.86262004841292 0.53429851921261 15.999 > 9 10 O 0.78047805782395 0.36262004841292 0.96570148078739 15.999 > 10 *11 O 0.32426046948760 0.87043363035719 0.25437443238005 15.999 > 11 12 O 0.67573953051240 0.37043363035719 0.24562556761995 15.999 > 12 13 O 0.67573953051240 0.12956636964281 0.74562556761995 15.999 > 13 14 O 0.32426046948760 0.62956636964281 0.75437443238005 15.999 > 14 15 O 0.21952194217605 0.63737995158708 0.03429851921261 15.999 > 15 16 O 0.78047805782395 0.13737995158708 0.46570148078739 15.999 > 16 *17 Zn 0.51769853467748 0.86013744136245 0.11070404295464 65.380 > 17 18 Zn 0.48230146532252 0.36013744136245 0.38929595704536 65.380 > 18 19 Zn 0.48230146532252 0.13986255863755 0.88929595704536 65.380 > 19 20 Zn 0.51769853467748 0.63986255863755 0.61070404295464 65.380 > 20 *21 Zn 0.50000000000000 0.00000000000000 0.50000000000000 65.380 > 21 22 Zn 0.50000000000000 0.50000000000000 0.00000000000000 65.380 > 22 *23 As 0.14735026900650 0.69204850472450 0.19302883356318 74.922 > 23 24 As 0.85264973099350 0.19204850472450 0.30697116643682 74.922 > 24 25 As 0.85264973099350 0.30795149527549 0.80697116643682 74.922 > 25 26 As 0.14735026900650 0.80795149527550 0.69302883356318 74.922 > 26 -------------------------------- super cell -------------------------------- Lattice vectors: a 10.563456204643684 0.000000000000000 0.000000000000000 b 0.000000000000000 16.955098579999998 0.000000000000000 c -4.358858785010857 0.000000000000000 7.713559199134139 Atomic positions (fractional): *1 O 0.14430755614161 0.46733293778461 0.86375296211284 15.999 > 1 2 O 0.64430755614160 0.46733293778461 0.86375296211284 15.999 > 1 3 O 0.14430755614161 0.96733293778461 0.86375296211284 15.999 > 1 4 O 0.64430755614160 0.96733293778461 0.86375296211284 15.999 > 1 5 O 0.35569244385839 0.21733293778461 0.63624703788716 15.999 > 2 6 O 0.85569244385840 0.21733293778461 0.63624703788716 15.999 > 2 7 O 0.35569244385839 0.71733293778461 0.63624703788716 15.999 > 2 8 O 0.85569244385840 0.71733293778461 0.63624703788716 15.999 > 2 9 O 0.35569244385839 0.03266706221539 0.13624703788716 15.999 > 3 10 O 0.85569244385840 0.03266706221539 0.13624703788716 15.999 > 3 11 O 0.35569244385839 0.53266706221539 0.13624703788716 15.999 > 3 12 O 0.85569244385840 0.53266706221539 0.13624703788716 15.999 > 3 13 O 0.14430755614161 0.28266706221539 0.36375296211284 15.999 > 4 14 O 0.64430755614160 0.28266706221539 0.36375296211284 15.999 > 4 15 O 0.14430755614161 0.78266706221539 0.36375296211284 15.999 > 4 16 O 0.64430755614160 0.78266706221539 0.36375296211284 15.999 > 4 *17 O 0.39185716950339 0.40153542078351 0.61663084674607 15.999 > 5 18 O 0.89185716950339 0.40153542078351 0.61663084674607 15.999 > 5 19 O 0.39185716950339 0.90153542078351 0.61663084674607 15.999 > 5 20 O 0.89185716950339 0.90153542078351 0.61663084674607 15.999 > 5 21 O 0.10814283049661 0.15153542078351 0.88336915325393 15.999 > 6 22 O 0.60814283049661 0.15153542078351 0.88336915325393 15.999 > 6 23 O 0.10814283049661 0.65153542078351 0.88336915325393 15.999 > 6 24 O 0.60814283049661 0.65153542078351 0.88336915325393 15.999 > 6 25 O 0.10814283049661 0.09846457921649 0.38336915325393 15.999 > 7 26 O 0.60814283049661 0.09846457921649 0.38336915325393 15.999 > 7 27 O 0.10814283049661 0.59846457921649 0.38336915325393 15.999 > 7 28 O 0.60814283049661 0.59846457921649 0.38336915325393 15.999 > 7 29 O 0.39185716950339 0.34846457921649 0.11663084674607 15.999 > 8 30 O 0.89185716950339 0.34846457921649 0.11663084674607 15.999 > 8 31 O 0.39185716950339 0.84846457921649 0.11663084674607 15.999 > 8 32 O 0.89185716950339 0.84846457921649 0.11663084674607 15.999 > 8 *33 O 0.10976097108802 0.43131002420646 0.53429851921261 15.999 > 9 34 O 0.60976097108802 0.43131002420646 0.53429851921261 15.999 > 9 35 O 0.10976097108802 0.93131002420646 0.53429851921261 15.999 > 9 36 O 0.60976097108802 0.93131002420646 0.53429851921261 15.999 > 9 37 O 0.39023902891198 0.18131002420646 0.96570148078739 15.999 > 10 38 O 0.89023902891198 0.18131002420646 0.96570148078739 15.999 > 10 39 O 0.39023902891198 0.68131002420646 0.96570148078739 15.999 > 10 40 O 0.89023902891198 0.68131002420646 0.96570148078739 15.999 > 10 *41 O 0.16213023474380 0.43521681517860 0.25437443238005 15.999 > 11 42 O 0.66213023474380 0.43521681517860 0.25437443238005 15.999 > 11 43 O 0.16213023474380 0.93521681517860 0.25437443238005 15.999 > 11 44 O 0.66213023474380 0.93521681517860 0.25437443238005 15.999 > 11 45 O 0.33786976525620 0.18521681517860 0.24562556761995 15.999 > 12 46 O 0.83786976525620 0.18521681517860 0.24562556761995 15.999 > 12 47 O 0.33786976525620 0.68521681517860 0.24562556761995 15.999 > 12 48 O 0.83786976525620 0.68521681517860 0.24562556761995 15.999 > 12 49 O 0.33786976525620 0.06478318482140 0.74562556761995 15.999 > 13 50 O 0.83786976525620 0.06478318482140 0.74562556761995 15.999 > 13 51 O 0.33786976525620 0.56478318482140 0.74562556761995 15.999 > 13 52 O 0.83786976525620 0.56478318482140 0.74562556761995 15.999 > 13 53 O 0.16213023474380 0.31478318482140 0.75437443238005 15.999 > 14 54 O 0.66213023474380 0.31478318482140 0.75437443238005 15.999 > 14 55 O 0.16213023474380 0.81478318482140 0.75437443238005 15.999 > 14 56 O 0.66213023474380 0.81478318482140 0.75437443238005 15.999 > 14 57 O 0.10976097108802 0.31868997579354 0.03429851921261 15.999 > 15 58 O 0.60976097108802 0.31868997579354 0.03429851921261 15.999 > 15 59 O 0.10976097108802 0.81868997579354 0.03429851921261 15.999 > 15 60 O 0.60976097108802 0.81868997579354 0.03429851921261 15.999 > 15 61 O 0.39023902891198 0.06868997579354 0.46570148078739 15.999 > 16 62 O 0.89023902891198 0.06868997579354 0.46570148078739 15.999 > 16 63 O 0.39023902891198 0.56868997579354 0.46570148078739 15.999 > 16 64 O 0.89023902891198 0.56868997579354 0.46570148078739 15.999 > 16 *65 Zn 0.25884926733874 0.43006872068123 0.11070404295464 65.380 > 17 66 Zn 0.75884926733874 0.43006872068123 0.11070404295464 65.380 > 17 67 Zn 0.25884926733874 0.93006872068123 0.11070404295464 65.380 > 17 68 Zn 0.75884926733874 0.93006872068123 0.11070404295464 65.380 > 17 69 Zn 0.24115073266126 0.18006872068123 0.38929595704536 65.380 > 18 70 Zn 0.74115073266126 0.18006872068123 0.38929595704536 65.380 > 18 71 Zn 0.24115073266126 0.68006872068123 0.38929595704536 65.380 > 18 72 Zn 0.74115073266126 0.68006872068123 0.38929595704536 65.380 > 18 73 Zn 0.24115073266126 0.06993127931877 0.88929595704536 65.380 > 19 74 Zn 0.74115073266126 0.06993127931877 0.88929595704536 65.380 > 19 75 Zn 0.24115073266126 0.56993127931877 0.88929595704536 65.380 > 19 76 Zn 0.74115073266126 0.56993127931877 0.88929595704536 65.380 > 19 77 Zn 0.25884926733874 0.31993127931877 0.61070404295464 65.380 > 20 78 Zn 0.75884926733874 0.31993127931877 0.61070404295464 65.380 > 20 79 Zn 0.25884926733874 0.81993127931877 0.61070404295464 65.380 > 20 80 Zn 0.75884926733874 0.81993127931877 0.61070404295464 65.380 > 20 *81 Zn 0.25000000000000 0.00000000000000 0.50000000000000 65.380 > 21 82 Zn 0.75000000000000 0.00000000000000 0.50000000000000 65.380 > 21 83 Zn 0.25000000000000 0.50000000000000 0.50000000000000 65.380 > 21 84 Zn 0.75000000000000 0.50000000000000 0.50000000000000 65.380 > 21 85 Zn 0.25000000000000 0.25000000000000 0.00000000000000 65.380 > 22 86 Zn 0.75000000000000 0.25000000000000 0.00000000000000 65.380 > 22 87 Zn 0.25000000000000 0.75000000000000 0.00000000000000 65.380 > 22 88 Zn 0.75000000000000 0.75000000000000 0.00000000000000 65.380 > 22 *89 As 0.07367513450325 0.34602425236225 0.19302883356318 74.922 > 23 90 As 0.57367513450325 0.34602425236225 0.19302883356318 74.922 > 23 91 As 0.07367513450325 0.84602425236225 0.19302883356318 74.922 > 23 92 As 0.57367513450325 0.84602425236225 0.19302883356318 74.922 > 23 93 As 0.42632486549675 0.09602425236225 0.30697116643682 74.922 > 24 94 As 0.92632486549675 0.09602425236225 0.30697116643682 74.922 > 24 95 As 0.42632486549675 0.59602425236225 0.30697116643682 74.922 > 24 96 As 0.92632486549675 0.59602425236225 0.30697116643682 74.922 > 24 97 As 0.42632486549675 0.15397574763775 0.80697116643682 74.922 > 25 98 As 0.92632486549675 0.15397574763775 0.80697116643682 74.922 > 25 99 As 0.42632486549675 0.65397574763775 0.80697116643682 74.922 > 25 100 As 0.92632486549675 0.65397574763775 0.80697116643682 74.922 > 25 101 As 0.07367513450325 0.40397574763775 0.69302883356318 74.922 > 26 102 As 0.57367513450325 0.40397574763775 0.69302883356318 74.922 > 26 103 As 0.07367513450325 0.90397574763775 0.69302883356318 74.922 > 26 104 As 0.57367513450325 0.90397574763775 0.69302883356318 74.922 > 26 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 3.6011404 0.0000000 -0.0392625 0.0000000 3.4141943 0.0000000 -0.0392637 0.0000000 3.3639135 -------------------------- Born effective charges -------------------------- 1 O -1.0820083 -0.1422780 -0.0319396 -0.2648661 -1.9410078 -0.4868978 -0.0982184 -0.4742675 -2.2501945 2 O -1.0820083 0.1422780 -0.0319396 0.2648661 -1.9410078 0.4868978 -0.0982184 0.4742675 -2.2501945 3 O -1.0820083 -0.1422780 -0.0319396 -0.2648661 -1.9410078 -0.4868978 -0.0982184 -0.4742675 -2.2501945 4 O -1.0820083 0.1422780 -0.0319396 0.2648661 -1.9410078 0.4868978 -0.0982184 0.4742675 -2.2501945 5 O -2.5907173 -0.1366283 -0.5275699 -0.2168179 -1.4549861 0.0246529 -0.5590530 0.1153867 -1.2180838 6 O -2.5907173 0.1366283 -0.5275699 0.2168179 -1.4549861 -0.0246529 -0.5590530 -0.1153867 -1.2180838 7 O -2.5907173 -0.1366283 -0.5275699 -0.2168179 -1.4549861 0.0246529 -0.5590530 0.1153867 -1.2180838 8 O -2.5907173 0.1366283 -0.5275699 0.2168179 -1.4549861 -0.0246529 -0.5590530 -0.1153867 -1.2180838 9 O -2.0212415 -0.1283567 0.5264601 -0.1925217 -1.4862687 0.2528583 0.5355011 0.3161350 -1.5963952 10 O -2.0212415 0.1283567 0.5264601 0.1925217 -1.4862687 -0.2528583 0.5355011 -0.3161350 -1.5963952 11 O -1.5808868 -0.2844292 0.1928797 -0.4935215 -1.8551789 -0.4441268 0.1849996 -0.4191809 -1.5580024 12 O -1.5808868 0.2844292 0.1928797 0.4935215 -1.8551789 0.4441268 0.1849996 0.4191809 -1.5580024 13 O -1.5808868 -0.2844292 0.1928797 -0.4935215 -1.8551789 -0.4441268 0.1849996 -0.4191809 -1.5580024 14 O -1.5808868 0.2844292 0.1928797 0.4935215 -1.8551789 0.4441268 0.1849996 0.4191809 -1.5580024 15 O -2.0212415 0.1283567 0.5264601 0.1925217 -1.4862687 -0.2528583 0.5355011 -0.3161350 -1.5963952 16 O -2.0212415 -0.1283567 0.5264601 -0.1925217 -1.4862687 0.2528583 0.5355011 0.3161350 -1.5963952 17 Zn 2.2633140 -0.1048667 -0.1819059 0.3483577 2.3153806 -0.0400767 -0.0503548 -0.1036930 2.0060192 18 Zn 2.2633140 0.1048667 -0.1819059 -0.3483577 2.3153806 0.0400767 -0.0503548 0.1036930 2.0060192 19 Zn 2.2633140 -0.1048667 -0.1819059 0.3483577 2.3153806 -0.0400767 -0.0503548 -0.1036930 2.0060192 20 Zn 2.2633140 0.1048667 -0.1819059 -0.3483577 2.3153806 0.0400767 -0.0503548 0.1036930 2.0060192 21 Zn 2.4742650 -0.2299859 0.1631125 0.1335706 2.7119202 0.4023091 -0.2441960 -0.3166708 2.4216742 22 Zn 2.4742650 0.2299859 0.1631125 -0.1335706 2.7119202 -0.4023091 -0.2441960 0.3166708 2.4216742 23 As 3.7744074 0.0975243 -0.0594806 0.1007393 3.0661009 -0.1675006 0.1092234 -0.0874354 3.4058197 24 As 3.7744074 -0.0975243 -0.0594806 -0.1007393 3.0661009 0.1675006 0.1092234 0.0874354 3.4058197 25 As 3.7744074 0.0975243 -0.0594806 0.1007393 3.0661009 -0.1675006 0.1092234 -0.0874354 3.4058197 26 As 3.7744074 -0.0975243 -0.0594806 -0.1007393 3.0661009 0.1675006 0.1092234 0.0874354 3.4058197 ---------------------------------------------------------------------------- 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: 312/312 Permutation basis: 12480/12480 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 3168 Number of blocks in projector: 3168 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: 678 Use submatrix version of eigh solver. (1) Block: 500 / 678 (2) Block: 250 / 500 (2) 236 eigenvectors found. (2) Block: 500 / 500 (2) 238 eigenvectors found. (2) Complementary block size: 26 (2) Compute compressed projector. (2) Use standard solver. (2) 12 eigenvectors found. (1) 486 eigenvectors found. (1) Block: 678 / 678 (1) 164 eigenvectors found. (1) Complementary block size: 28 (1) Compute compressed projector. (1) Use standard solver. (1) 14 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 678 Use submatrix version of eigh solver. (1) Block: 500 / 678 (2) Block: 250 / 500 (2) 237 eigenvectors found. (2) Block: 500 / 500 (2) 239 eigenvectors found. (2) Complementary block size: 24 (2) Compute compressed projector. (2) Use standard solver. (2) 11 eigenvectors found. (1) 487 eigenvectors found. (1) Block: 678 / 678 (1) 171 eigenvectors found. (1) Complementary block size: 20 (1) Compute compressed projector. (1) Use standard solver. (1) 7 eigenvectors found. --- Eigsh_solver_block: 3 / 6 --- Block_size: 678 Use submatrix version of eigh solver. (1) Block: 500 / 678 (2) Block: 250 / 500 (2) 236 eigenvectors found. (2) Block: 500 / 500 (2) 238 eigenvectors found. (2) Complementary block size: 26 (2) Compute compressed projector. (2) Use standard solver. (2) 12 eigenvectors found. (1) 486 eigenvectors found. (1) Block: 678 / 678 (1) 164 eigenvectors found. (1) Complementary block size: 28 (1) Compute compressed projector. (1) Use standard solver. (1) 14 eigenvectors found. --- Eigsh_solver_block: 4 / 6 --- Block_size: 378 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 378 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 378 Use standard eigh solver. Tree of FC basis block matrices: - (3168, 3106), data: False |-- (378, 371), data: True |-- (378, 371), data: True |-- (378, 371), data: True |-- (678, 664), data: False |-- (678, 14), data: (678, 28) @ (28, 14) |-- (178, 164), data: True |-- (500, 486), data: False |-- (500, 12), data: (500, 26) @ (26, 12) |-- (250, 238), data: True |-- (250, 236), data: True |-- (678, 665), data: False |-- (678, 7), data: (678, 20) @ (20, 7) |-- (178, 171), data: True |-- (500, 487), data: False |-- (500, 11), data: (500, 24) @ (24, 11) |-- (250, 239), data: True |-- (250, 237), data: True |-- (678, 664), data: False |-- (678, 14), data: (678, 28) @ (28, 14) |-- (178, 164), data: True |-- (500, 486), data: False |-- (500, 12), data: (500, 26) @ (26, 12) |-- (250, 238), data: True |-- (250, 236), data: True ----- Solver_atoms: 1 -- 104 / 104 Time (Solver_compr_matrix_reshape): 0.003 Solver_block: 100 / 800 - Time: 0.785 Solver_block: 200 / 800 - Time: 0.704 Solver_block: 300 / 800 - Time: 0.710 Solver_block: 400 / 800 - Time: 0.709 Solver_block: 500 / 800 - Time: 0.704 Solver_block: 600 / 800 - Time: 0.705 Solver_block: 700 / 800 - Time: 0.709 Solver_block: 800 / 800 - Time: 0.703 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 5.860 --------------------------------- Symfc end -------------------------------- Max drift of force constants: 0.00000000 (xx) 0.00000000 (xx) Permutation basis: 312/312 Permutation basis: 12480/12480 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 3168 Number of blocks in projector: 3168 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: 678 Use submatrix version of eigh solver. (1) Block: 500 / 678 (2) Block: 250 / 500 (2) 236 eigenvectors found. (2) Block: 500 / 500 (2) 238 eigenvectors found. (2) Complementary block size: 26 (2) Compute compressed projector. (2) Use standard solver. (2) 12 eigenvectors found. (1) 486 eigenvectors found. (1) Block: 678 / 678 (1) 164 eigenvectors found. (1) Complementary block size: 28 (1) Compute compressed projector. (1) Use standard solver. (1) 14 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 678 Use submatrix version of eigh solver. (1) Block: 500 / 678 (2) Block: 250 / 500 (2) 237 eigenvectors found. (2) Block: 500 / 500 (2) 239 eigenvectors found. (2) Complementary block size: 24 (2) Compute compressed projector. (2) Use standard solver. (2) 11 eigenvectors found. (1) 487 eigenvectors found. (1) Block: 678 / 678 (1) 171 eigenvectors found. (1) Complementary block size: 20 (1) Compute compressed projector. (1) Use standard solver. (1) 7 eigenvectors found. --- Eigsh_solver_block: 3 / 6 --- Block_size: 678 Use submatrix version of eigh solver. (1) Block: 500 / 678 (2) Block: 250 / 500 (2) 236 eigenvectors found. (2) Block: 500 / 500 (2) 238 eigenvectors found. (2) Complementary block size: 26 (2) Compute compressed projector. (2) Use standard solver. (2) 12 eigenvectors found. (1) 486 eigenvectors found. (1) Block: 678 / 678 (1) 164 eigenvectors found. (1) Complementary block size: 28 (1) Compute compressed projector. (1) Use standard solver. (1) 14 eigenvectors found. --- Eigsh_solver_block: 4 / 6 --- Block_size: 378 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 378 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 378 Use standard eigh solver. Tree of FC basis block matrices: - (3168, 3106), data: False |-- (378, 371), data: True |-- (378, 371), data: True |-- (378, 371), data: True |-- (678, 664), data: False |-- (678, 14), data: (678, 28) @ (28, 14) |-- (178, 164), data: True |-- (500, 486), data: False |-- (500, 12), data: (500, 26) @ (26, 12) |-- (250, 238), data: True |-- (250, 236), data: True |-- (678, 665), data: False |-- (678, 7), data: (678, 20) @ (20, 7) |-- (178, 171), data: True |-- (500, 487), data: False |-- (500, 11), data: (500, 24) @ (24, 11) |-- (250, 239), data: True |-- (250, 237), data: True |-- (678, 664), data: False |-- (678, 14), data: (678, 28) @ (28, 14) |-- (178, 164), data: True |-- (500, 486), data: False |-- (500, 12), data: (500, 26) @ (26, 12) |-- (250, 238), data: True |-- (250, 236), data: True Max drift after symmetrization by symfc projector: 0.00000000 (xx) 0.00000000 (xx) Force constants are written into "force_constants.hdf5". ---------------------------------------------------------------------------- One of the following run modes may be specified for phonon calculations. - Mesh sampling (MESH, --mesh) - Q-points (QPOINTS, --qpoints) - Band structure (BAND, --band) - Animation (ANIME, --anime) - Modulation (MODULATION, --modulation) - Characters of Irreps (IRREPS, --irreps) - Create displacements (CREATE_DISPLACEMENTS, -d) ---------------------------------------------------------------------------- Summary of calculation was written in "phonopy.yaml". -------------------------[time 2026-01-08 02:24:42]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 02:24:42]------------------------- 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 2 1] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P2_1/c (14) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 5.281728102321842 0.000000000000000 0.000000000000000 b 0.000000000000000 8.477549289999999 0.000000000000000 c -4.358858785010857 0.000000000000000 7.713559199134139 Atomic positions (fractional): 1 O 0.28861511228321 0.93466587556923 0.86375296211284 15.999 2 O 0.71138488771679 0.43466587556923 0.63624703788716 15.999 3 O 0.71138488771679 0.06533412443077 0.13624703788716 15.999 4 O 0.28861511228321 0.56533412443077 0.36375296211284 15.999 5 O 0.78371433900678 0.80307084156703 0.61663084674607 15.999 6 O 0.21628566099322 0.30307084156703 0.88336915325393 15.999 7 O 0.21628566099322 0.19692915843297 0.38336915325393 15.999 8 O 0.78371433900678 0.69692915843297 0.11663084674607 15.999 9 O 0.21952194217605 0.86262004841292 0.53429851921261 15.999 10 O 0.78047805782395 0.36262004841292 0.96570148078739 15.999 11 O 0.32426046948760 0.87043363035719 0.25437443238005 15.999 12 O 0.67573953051240 0.37043363035719 0.24562556761995 15.999 13 O 0.67573953051240 0.12956636964281 0.74562556761995 15.999 14 O 0.32426046948760 0.62956636964281 0.75437443238005 15.999 15 O 0.21952194217605 0.63737995158708 0.03429851921261 15.999 16 O 0.78047805782395 0.13737995158708 0.46570148078739 15.999 17 Zn 0.51769853467748 0.86013744136245 0.11070404295464 65.380 18 Zn 0.48230146532252 0.36013744136245 0.38929595704536 65.380 19 Zn 0.48230146532252 0.13986255863755 0.88929595704536 65.380 20 Zn 0.51769853467748 0.63986255863755 0.61070404295464 65.380 21 Zn 0.50000000000000 0.00000000000000 0.50000000000000 65.380 22 Zn 0.50000000000000 0.50000000000000 0.00000000000000 65.380 23 As 0.14735026900650 0.69204850472450 0.19302883356318 74.922 24 As 0.85264973099350 0.19204850472450 0.30697116643682 74.922 25 As 0.85264973099350 0.30795149527549 0.80697116643682 74.922 26 As 0.14735026900650 0.80795149527550 0.69302883356318 74.922 -------------------------------- supercell --------------------------------- Lattice vectors: a 10.563456204643684 0.000000000000000 0.000000000000000 b 0.000000000000000 16.955098579999998 0.000000000000000 c -4.358858785010857 0.000000000000000 7.713559199134139 Atomic positions (fractional): 1 O 0.14430755614161 0.46733293778461 0.86375296211284 15.999 > 1 2 O 0.64430755614160 0.46733293778461 0.86375296211284 15.999 > 1 3 O 0.14430755614161 0.96733293778461 0.86375296211284 15.999 > 1 4 O 0.64430755614160 0.96733293778461 0.86375296211284 15.999 > 1 5 O 0.35569244385839 0.21733293778461 0.63624703788716 15.999 > 5 6 O 0.85569244385840 0.21733293778461 0.63624703788716 15.999 > 5 7 O 0.35569244385839 0.71733293778461 0.63624703788716 15.999 > 5 8 O 0.85569244385840 0.71733293778461 0.63624703788716 15.999 > 5 9 O 0.35569244385839 0.03266706221539 0.13624703788716 15.999 > 9 10 O 0.85569244385840 0.03266706221539 0.13624703788716 15.999 > 9 11 O 0.35569244385839 0.53266706221539 0.13624703788716 15.999 > 9 12 O 0.85569244385840 0.53266706221539 0.13624703788716 15.999 > 9 13 O 0.14430755614161 0.28266706221539 0.36375296211284 15.999 > 13 14 O 0.64430755614160 0.28266706221539 0.36375296211284 15.999 > 13 15 O 0.14430755614161 0.78266706221539 0.36375296211284 15.999 > 13 16 O 0.64430755614160 0.78266706221539 0.36375296211284 15.999 > 13 17 O 0.39185716950339 0.40153542078351 0.61663084674607 15.999 > 17 18 O 0.89185716950339 0.40153542078351 0.61663084674607 15.999 > 17 19 O 0.39185716950339 0.90153542078351 0.61663084674607 15.999 > 17 20 O 0.89185716950339 0.90153542078351 0.61663084674607 15.999 > 17 21 O 0.10814283049661 0.15153542078351 0.88336915325393 15.999 > 21 22 O 0.60814283049661 0.15153542078351 0.88336915325393 15.999 > 21 23 O 0.10814283049661 0.65153542078351 0.88336915325393 15.999 > 21 24 O 0.60814283049661 0.65153542078351 0.88336915325393 15.999 > 21 25 O 0.10814283049661 0.09846457921649 0.38336915325393 15.999 > 25 26 O 0.60814283049661 0.09846457921649 0.38336915325393 15.999 > 25 27 O 0.10814283049661 0.59846457921649 0.38336915325393 15.999 > 25 28 O 0.60814283049661 0.59846457921649 0.38336915325393 15.999 > 25 29 O 0.39185716950339 0.34846457921649 0.11663084674607 15.999 > 29 30 O 0.89185716950339 0.34846457921649 0.11663084674607 15.999 > 29 31 O 0.39185716950339 0.84846457921649 0.11663084674607 15.999 > 29 32 O 0.89185716950339 0.84846457921649 0.11663084674607 15.999 > 29 33 O 0.10976097108802 0.43131002420646 0.53429851921261 15.999 > 33 34 O 0.60976097108802 0.43131002420646 0.53429851921261 15.999 > 33 35 O 0.10976097108802 0.93131002420646 0.53429851921261 15.999 > 33 36 O 0.60976097108802 0.93131002420646 0.53429851921261 15.999 > 33 37 O 0.39023902891198 0.18131002420646 0.96570148078739 15.999 > 37 38 O 0.89023902891198 0.18131002420646 0.96570148078739 15.999 > 37 39 O 0.39023902891198 0.68131002420646 0.96570148078739 15.999 > 37 40 O 0.89023902891198 0.68131002420646 0.96570148078739 15.999 > 37 41 O 0.16213023474380 0.43521681517860 0.25437443238005 15.999 > 41 42 O 0.66213023474380 0.43521681517860 0.25437443238005 15.999 > 41 43 O 0.16213023474380 0.93521681517860 0.25437443238005 15.999 > 41 44 O 0.66213023474380 0.93521681517860 0.25437443238005 15.999 > 41 45 O 0.33786976525620 0.18521681517860 0.24562556761995 15.999 > 45 46 O 0.83786976525620 0.18521681517860 0.24562556761995 15.999 > 45 47 O 0.33786976525620 0.68521681517860 0.24562556761995 15.999 > 45 48 O 0.83786976525620 0.68521681517860 0.24562556761995 15.999 > 45 49 O 0.33786976525620 0.06478318482140 0.74562556761995 15.999 > 49 50 O 0.83786976525620 0.06478318482140 0.74562556761995 15.999 > 49 51 O 0.33786976525620 0.56478318482140 0.74562556761995 15.999 > 49 52 O 0.83786976525620 0.56478318482140 0.74562556761995 15.999 > 49 53 O 0.16213023474380 0.31478318482140 0.75437443238005 15.999 > 53 54 O 0.66213023474380 0.31478318482140 0.75437443238005 15.999 > 53 55 O 0.16213023474380 0.81478318482140 0.75437443238005 15.999 > 53 56 O 0.66213023474380 0.81478318482140 0.75437443238005 15.999 > 53 57 O 0.10976097108802 0.31868997579354 0.03429851921261 15.999 > 57 58 O 0.60976097108802 0.31868997579354 0.03429851921261 15.999 > 57 59 O 0.10976097108802 0.81868997579354 0.03429851921261 15.999 > 57 60 O 0.60976097108802 0.81868997579354 0.03429851921261 15.999 > 57 61 O 0.39023902891198 0.06868997579354 0.46570148078739 15.999 > 61 62 O 0.89023902891198 0.06868997579354 0.46570148078739 15.999 > 61 63 O 0.39023902891198 0.56868997579354 0.46570148078739 15.999 > 61 64 O 0.89023902891198 0.56868997579354 0.46570148078739 15.999 > 61 65 Zn 0.25884926733874 0.43006872068123 0.11070404295464 65.380 > 65 66 Zn 0.75884926733874 0.43006872068123 0.11070404295464 65.380 > 65 67 Zn 0.25884926733874 0.93006872068123 0.11070404295464 65.380 > 65 68 Zn 0.75884926733874 0.93006872068123 0.11070404295464 65.380 > 65 69 Zn 0.24115073266126 0.18006872068123 0.38929595704536 65.380 > 69 70 Zn 0.74115073266126 0.18006872068123 0.38929595704536 65.380 > 69 71 Zn 0.24115073266126 0.68006872068123 0.38929595704536 65.380 > 69 72 Zn 0.74115073266126 0.68006872068123 0.38929595704536 65.380 > 69 73 Zn 0.24115073266126 0.06993127931877 0.88929595704536 65.380 > 73 74 Zn 0.74115073266126 0.06993127931877 0.88929595704536 65.380 > 73 75 Zn 0.24115073266126 0.56993127931877 0.88929595704536 65.380 > 73 76 Zn 0.74115073266126 0.56993127931877 0.88929595704536 65.380 > 73 77 Zn 0.25884926733874 0.31993127931877 0.61070404295464 65.380 > 77 78 Zn 0.75884926733874 0.31993127931877 0.61070404295464 65.380 > 77 79 Zn 0.25884926733874 0.81993127931877 0.61070404295464 65.380 > 77 80 Zn 0.75884926733874 0.81993127931877 0.61070404295464 65.380 > 77 81 Zn 0.25000000000000 0.00000000000000 0.50000000000000 65.380 > 81 82 Zn 0.75000000000000 0.00000000000000 0.50000000000000 65.380 > 81 83 Zn 0.25000000000000 0.50000000000000 0.50000000000000 65.380 > 81 84 Zn 0.75000000000000 0.50000000000000 0.50000000000000 65.380 > 81 85 Zn 0.25000000000000 0.25000000000000 0.00000000000000 65.380 > 85 86 Zn 0.75000000000000 0.25000000000000 0.00000000000000 65.380 > 85 87 Zn 0.25000000000000 0.75000000000000 0.00000000000000 65.380 > 85 88 Zn 0.75000000000000 0.75000000000000 0.00000000000000 65.380 > 85 89 As 0.07367513450325 0.34602425236225 0.19302883356318 74.922 > 89 90 As 0.57367513450325 0.34602425236225 0.19302883356318 74.922 > 89 91 As 0.07367513450325 0.84602425236225 0.19302883356318 74.922 > 89 92 As 0.57367513450325 0.84602425236225 0.19302883356318 74.922 > 89 93 As 0.42632486549675 0.09602425236225 0.30697116643682 74.922 > 93 94 As 0.92632486549675 0.09602425236225 0.30697116643682 74.922 > 93 95 As 0.42632486549675 0.59602425236225 0.30697116643682 74.922 > 93 96 As 0.92632486549675 0.59602425236225 0.30697116643682 74.922 > 93 97 As 0.42632486549675 0.15397574763775 0.80697116643682 74.922 > 97 98 As 0.92632486549675 0.15397574763775 0.80697116643682 74.922 > 97 99 As 0.42632486549675 0.65397574763775 0.80697116643682 74.922 > 97 100 As 0.92632486549675 0.65397574763775 0.80697116643682 74.922 > 97 101 As 0.07367513450325 0.40397574763775 0.69302883356318 74.922 > 101 102 As 0.57367513450325 0.40397574763775 0.69302883356318 74.922 > 101 103 As 0.07367513450325 0.90397574763775 0.69302883356318 74.922 > 101 104 As 0.57367513450325 0.90397574763775 0.69302883356318 74.922 > 101 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 3.6011404 0.0000000 -0.0392625 0.0000000 3.4141943 0.0000000 -0.0392637 0.0000000 3.3639135 -------------------------- Born effective charges -------------------------- 1 O -1.0820083 -0.1422780 -0.0319396 -0.2648661 -1.9410078 -0.4868978 -0.0982184 -0.4742675 -2.2501945 2 O -1.0820083 0.1422780 -0.0319396 0.2648661 -1.9410078 0.4868978 -0.0982184 0.4742675 -2.2501945 3 O -1.0820083 -0.1422780 -0.0319396 -0.2648661 -1.9410078 -0.4868978 -0.0982184 -0.4742675 -2.2501945 4 O -1.0820083 0.1422780 -0.0319396 0.2648661 -1.9410078 0.4868978 -0.0982184 0.4742675 -2.2501945 5 O -2.5907173 -0.1366283 -0.5275699 -0.2168179 -1.4549861 0.0246529 -0.5590530 0.1153867 -1.2180838 6 O -2.5907173 0.1366283 -0.5275699 0.2168179 -1.4549861 -0.0246529 -0.5590530 -0.1153867 -1.2180838 7 O -2.5907173 -0.1366283 -0.5275699 -0.2168179 -1.4549861 0.0246529 -0.5590530 0.1153867 -1.2180838 8 O -2.5907173 0.1366283 -0.5275699 0.2168179 -1.4549861 -0.0246529 -0.5590530 -0.1153867 -1.2180838 9 O -2.0212415 -0.1283567 0.5264601 -0.1925217 -1.4862687 0.2528583 0.5355011 0.3161350 -1.5963952 10 O -2.0212415 0.1283567 0.5264601 0.1925217 -1.4862687 -0.2528583 0.5355011 -0.3161350 -1.5963952 11 O -1.5808868 -0.2844292 0.1928797 -0.4935215 -1.8551789 -0.4441268 0.1849996 -0.4191809 -1.5580024 12 O -1.5808868 0.2844292 0.1928797 0.4935215 -1.8551789 0.4441268 0.1849996 0.4191809 -1.5580024 13 O -1.5808868 -0.2844292 0.1928797 -0.4935215 -1.8551789 -0.4441268 0.1849996 -0.4191809 -1.5580024 14 O -1.5808868 0.2844292 0.1928797 0.4935215 -1.8551789 0.4441268 0.1849996 0.4191809 -1.5580024 15 O -2.0212415 0.1283567 0.5264601 0.1925217 -1.4862687 -0.2528583 0.5355011 -0.3161350 -1.5963952 16 O -2.0212415 -0.1283567 0.5264601 -0.1925217 -1.4862687 0.2528583 0.5355011 0.3161350 -1.5963952 17 Zn 2.2633140 -0.1048667 -0.1819059 0.3483577 2.3153806 -0.0400767 -0.0503548 -0.1036930 2.0060192 18 Zn 2.2633140 0.1048667 -0.1819059 -0.3483577 2.3153806 0.0400767 -0.0503548 0.1036930 2.0060192 19 Zn 2.2633140 -0.1048667 -0.1819059 0.3483577 2.3153806 -0.0400767 -0.0503548 -0.1036930 2.0060192 20 Zn 2.2633140 0.1048667 -0.1819059 -0.3483577 2.3153806 0.0400767 -0.0503548 0.1036930 2.0060192 21 Zn 2.4742650 -0.2299859 0.1631125 0.1335706 2.7119202 0.4023091 -0.2441960 -0.3166708 2.4216742 22 Zn 2.4742650 0.2299859 0.1631125 -0.1335706 2.7119202 -0.4023091 -0.2441960 0.3166708 2.4216742 23 As 3.7744074 0.0975243 -0.0594806 0.1007393 3.0661009 -0.1675006 0.1092234 -0.0874354 3.4058197 24 As 3.7744074 -0.0975243 -0.0594806 -0.1007393 3.0661009 0.1675006 0.1092234 0.0874354 3.4058197 25 As 3.7744074 0.0975243 -0.0594806 0.1007393 3.0661009 -0.1675006 0.1092234 -0.0874354 3.4058197 26 As 3.7744074 -0.0975243 -0.0594806 -0.1007393 3.0661009 0.1675006 0.1092234 0.0874354 3.4058197 ---------------------------------------------------------------------------- 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] [-0.0049 0.0000 0.0087] [ 0.0049 0.0000 -0.0087] Computing fc3[ 17, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0049 0.0000 0.0087] [ 0.0049 0.0000 -0.0087] Computing fc3[ 33, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0049 0.0000 0.0087] [ 0.0049 0.0000 -0.0087] Computing fc3[ 41, 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] [-0.0049 0.0000 0.0087] [ 0.0049 0.0000 -0.0087] Computing fc3[ 65, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0049 0.0000 0.0087] [ 0.0049 0.0000 -0.0087] Computing fc3[ 81, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0049 0.0000 0.0087] [ 0.0049 0.0000 -0.0087] Computing fc3[ 89, 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] [-0.0049 0.0000 0.0087] [ 0.0049 0.0000 -0.0087] Expanding fc3. Symmetrizing fc3 by traditional approach (N=3). Symmetrizing fc2 by traditional approach (N=3). Max drift of fc3: 0.00000002 (xxz) 0.00000002 (xxz) 0.00000002 (xzx) fc3 was written into "fc3.hdf5". Max drift of fc2: 0.00000003 (xz) 0.00000003 (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 02:25:10]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 02:25:11]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: conductivity-RTA HDF5 data compression filter: gzip Crystal structure was read from "phono3py.yaml". Supercell (dim): [2 2 1] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P2_1/c (14) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 5.281728102321842 0.000000000000000 0.000000000000000 b 0.000000000000000 8.477549289999999 0.000000000000000 c -4.358858785010857 0.000000000000000 7.713559199134139 Atomic positions (fractional): 1 O 0.28861511228321 0.93466587556923 0.86375296211284 15.999 2 O 0.71138488771679 0.43466587556923 0.63624703788716 15.999 3 O 0.71138488771679 0.06533412443077 0.13624703788716 15.999 4 O 0.28861511228321 0.56533412443077 0.36375296211284 15.999 5 O 0.78371433900678 0.80307084156703 0.61663084674607 15.999 6 O 0.21628566099322 0.30307084156703 0.88336915325393 15.999 7 O 0.21628566099322 0.19692915843297 0.38336915325393 15.999 8 O 0.78371433900678 0.69692915843297 0.11663084674607 15.999 9 O 0.21952194217605 0.86262004841292 0.53429851921261 15.999 10 O 0.78047805782395 0.36262004841292 0.96570148078739 15.999 11 O 0.32426046948760 0.87043363035719 0.25437443238005 15.999 12 O 0.67573953051240 0.37043363035719 0.24562556761995 15.999 13 O 0.67573953051240 0.12956636964281 0.74562556761995 15.999 14 O 0.32426046948760 0.62956636964281 0.75437443238005 15.999 15 O 0.21952194217605 0.63737995158708 0.03429851921261 15.999 16 O 0.78047805782395 0.13737995158708 0.46570148078739 15.999 17 Zn 0.51769853467748 0.86013744136245 0.11070404295464 65.380 18 Zn 0.48230146532252 0.36013744136245 0.38929595704536 65.380 19 Zn 0.48230146532252 0.13986255863755 0.88929595704536 65.380 20 Zn 0.51769853467748 0.63986255863755 0.61070404295464 65.380 21 Zn 0.50000000000000 0.00000000000000 0.50000000000000 65.380 22 Zn 0.50000000000000 0.50000000000000 0.00000000000000 65.380 23 As 0.14735026900650 0.69204850472450 0.19302883356318 74.922 24 As 0.85264973099350 0.19204850472450 0.30697116643682 74.922 25 As 0.85264973099350 0.30795149527549 0.80697116643682 74.922 26 As 0.14735026900650 0.80795149527550 0.69302883356318 74.922 -------------------------------- supercell --------------------------------- Lattice vectors: a 10.563456204643684 0.000000000000000 0.000000000000000 b 0.000000000000000 16.955098579999998 0.000000000000000 c -4.358858785010857 0.000000000000000 7.713559199134139 Atomic positions (fractional): 1 O 0.14430755614161 0.46733293778461 0.86375296211284 15.999 > 1 2 O 0.64430755614160 0.46733293778461 0.86375296211284 15.999 > 1 3 O 0.14430755614161 0.96733293778461 0.86375296211284 15.999 > 1 4 O 0.64430755614160 0.96733293778461 0.86375296211284 15.999 > 1 5 O 0.35569244385839 0.21733293778461 0.63624703788716 15.999 > 5 6 O 0.85569244385840 0.21733293778461 0.63624703788716 15.999 > 5 7 O 0.35569244385839 0.71733293778461 0.63624703788716 15.999 > 5 8 O 0.85569244385840 0.71733293778461 0.63624703788716 15.999 > 5 9 O 0.35569244385839 0.03266706221539 0.13624703788716 15.999 > 9 10 O 0.85569244385840 0.03266706221539 0.13624703788716 15.999 > 9 11 O 0.35569244385839 0.53266706221539 0.13624703788716 15.999 > 9 12 O 0.85569244385840 0.53266706221539 0.13624703788716 15.999 > 9 13 O 0.14430755614161 0.28266706221539 0.36375296211284 15.999 > 13 14 O 0.64430755614160 0.28266706221539 0.36375296211284 15.999 > 13 15 O 0.14430755614161 0.78266706221539 0.36375296211284 15.999 > 13 16 O 0.64430755614160 0.78266706221539 0.36375296211284 15.999 > 13 17 O 0.39185716950339 0.40153542078351 0.61663084674607 15.999 > 17 18 O 0.89185716950339 0.40153542078351 0.61663084674607 15.999 > 17 19 O 0.39185716950339 0.90153542078351 0.61663084674607 15.999 > 17 20 O 0.89185716950339 0.90153542078351 0.61663084674607 15.999 > 17 21 O 0.10814283049661 0.15153542078351 0.88336915325393 15.999 > 21 22 O 0.60814283049661 0.15153542078351 0.88336915325393 15.999 > 21 23 O 0.10814283049661 0.65153542078351 0.88336915325393 15.999 > 21 24 O 0.60814283049661 0.65153542078351 0.88336915325393 15.999 > 21 25 O 0.10814283049661 0.09846457921649 0.38336915325393 15.999 > 25 26 O 0.60814283049661 0.09846457921649 0.38336915325393 15.999 > 25 27 O 0.10814283049661 0.59846457921649 0.38336915325393 15.999 > 25 28 O 0.60814283049661 0.59846457921649 0.38336915325393 15.999 > 25 29 O 0.39185716950339 0.34846457921649 0.11663084674607 15.999 > 29 30 O 0.89185716950339 0.34846457921649 0.11663084674607 15.999 > 29 31 O 0.39185716950339 0.84846457921649 0.11663084674607 15.999 > 29 32 O 0.89185716950339 0.84846457921649 0.11663084674607 15.999 > 29 33 O 0.10976097108802 0.43131002420646 0.53429851921261 15.999 > 33 34 O 0.60976097108802 0.43131002420646 0.53429851921261 15.999 > 33 35 O 0.10976097108802 0.93131002420646 0.53429851921261 15.999 > 33 36 O 0.60976097108802 0.93131002420646 0.53429851921261 15.999 > 33 37 O 0.39023902891198 0.18131002420646 0.96570148078739 15.999 > 37 38 O 0.89023902891198 0.18131002420646 0.96570148078739 15.999 > 37 39 O 0.39023902891198 0.68131002420646 0.96570148078739 15.999 > 37 40 O 0.89023902891198 0.68131002420646 0.96570148078739 15.999 > 37 41 O 0.16213023474380 0.43521681517860 0.25437443238005 15.999 > 41 42 O 0.66213023474380 0.43521681517860 0.25437443238005 15.999 > 41 43 O 0.16213023474380 0.93521681517860 0.25437443238005 15.999 > 41 44 O 0.66213023474380 0.93521681517860 0.25437443238005 15.999 > 41 45 O 0.33786976525620 0.18521681517860 0.24562556761995 15.999 > 45 46 O 0.83786976525620 0.18521681517860 0.24562556761995 15.999 > 45 47 O 0.33786976525620 0.68521681517860 0.24562556761995 15.999 > 45 48 O 0.83786976525620 0.68521681517860 0.24562556761995 15.999 > 45 49 O 0.33786976525620 0.06478318482140 0.74562556761995 15.999 > 49 50 O 0.83786976525620 0.06478318482140 0.74562556761995 15.999 > 49 51 O 0.33786976525620 0.56478318482140 0.74562556761995 15.999 > 49 52 O 0.83786976525620 0.56478318482140 0.74562556761995 15.999 > 49 53 O 0.16213023474380 0.31478318482140 0.75437443238005 15.999 > 53 54 O 0.66213023474380 0.31478318482140 0.75437443238005 15.999 > 53 55 O 0.16213023474380 0.81478318482140 0.75437443238005 15.999 > 53 56 O 0.66213023474380 0.81478318482140 0.75437443238005 15.999 > 53 57 O 0.10976097108802 0.31868997579354 0.03429851921261 15.999 > 57 58 O 0.60976097108802 0.31868997579354 0.03429851921261 15.999 > 57 59 O 0.10976097108802 0.81868997579354 0.03429851921261 15.999 > 57 60 O 0.60976097108802 0.81868997579354 0.03429851921261 15.999 > 57 61 O 0.39023902891198 0.06868997579354 0.46570148078739 15.999 > 61 62 O 0.89023902891198 0.06868997579354 0.46570148078739 15.999 > 61 63 O 0.39023902891198 0.56868997579354 0.46570148078739 15.999 > 61 64 O 0.89023902891198 0.56868997579354 0.46570148078739 15.999 > 61 65 Zn 0.25884926733874 0.43006872068123 0.11070404295464 65.380 > 65 66 Zn 0.75884926733874 0.43006872068123 0.11070404295464 65.380 > 65 67 Zn 0.25884926733874 0.93006872068123 0.11070404295464 65.380 > 65 68 Zn 0.75884926733874 0.93006872068123 0.11070404295464 65.380 > 65 69 Zn 0.24115073266126 0.18006872068123 0.38929595704536 65.380 > 69 70 Zn 0.74115073266126 0.18006872068123 0.38929595704536 65.380 > 69 71 Zn 0.24115073266126 0.68006872068123 0.38929595704536 65.380 > 69 72 Zn 0.74115073266126 0.68006872068123 0.38929595704536 65.380 > 69 73 Zn 0.24115073266126 0.06993127931877 0.88929595704536 65.380 > 73 74 Zn 0.74115073266126 0.06993127931877 0.88929595704536 65.380 > 73 75 Zn 0.24115073266126 0.56993127931877 0.88929595704536 65.380 > 73 76 Zn 0.74115073266126 0.56993127931877 0.88929595704536 65.380 > 73 77 Zn 0.25884926733874 0.31993127931877 0.61070404295464 65.380 > 77 78 Zn 0.75884926733874 0.31993127931877 0.61070404295464 65.380 > 77 79 Zn 0.25884926733874 0.81993127931877 0.61070404295464 65.380 > 77 80 Zn 0.75884926733874 0.81993127931877 0.61070404295464 65.380 > 77 81 Zn 0.25000000000000 0.00000000000000 0.50000000000000 65.380 > 81 82 Zn 0.75000000000000 0.00000000000000 0.50000000000000 65.380 > 81 83 Zn 0.25000000000000 0.50000000000000 0.50000000000000 65.380 > 81 84 Zn 0.75000000000000 0.50000000000000 0.50000000000000 65.380 > 81 85 Zn 0.25000000000000 0.25000000000000 0.00000000000000 65.380 > 85 86 Zn 0.75000000000000 0.25000000000000 0.00000000000000 65.380 > 85 87 Zn 0.25000000000000 0.75000000000000 0.00000000000000 65.380 > 85 88 Zn 0.75000000000000 0.75000000000000 0.00000000000000 65.380 > 85 89 As 0.07367513450325 0.34602425236225 0.19302883356318 74.922 > 89 90 As 0.57367513450325 0.34602425236225 0.19302883356318 74.922 > 89 91 As 0.07367513450325 0.84602425236225 0.19302883356318 74.922 > 89 92 As 0.57367513450325 0.84602425236225 0.19302883356318 74.922 > 89 93 As 0.42632486549675 0.09602425236225 0.30697116643682 74.922 > 93 94 As 0.92632486549675 0.09602425236225 0.30697116643682 74.922 > 93 95 As 0.42632486549675 0.59602425236225 0.30697116643682 74.922 > 93 96 As 0.92632486549675 0.59602425236225 0.30697116643682 74.922 > 93 97 As 0.42632486549675 0.15397574763775 0.80697116643682 74.922 > 97 98 As 0.92632486549675 0.15397574763775 0.80697116643682 74.922 > 97 99 As 0.42632486549675 0.65397574763775 0.80697116643682 74.922 > 97 100 As 0.92632486549675 0.65397574763775 0.80697116643682 74.922 > 97 101 As 0.07367513450325 0.40397574763775 0.69302883356318 74.922 > 101 102 As 0.57367513450325 0.40397574763775 0.69302883356318 74.922 > 101 103 As 0.07367513450325 0.90397574763775 0.69302883356318 74.922 > 101 104 As 0.57367513450325 0.90397574763775 0.69302883356318 74.922 > 101 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 3.6011404 0.0000000 -0.0392625 0.0000000 3.4141943 0.0000000 -0.0392637 0.0000000 3.3639135 -------------------------- Born effective charges -------------------------- 1 O -1.0820083 -0.1422780 -0.0319396 -0.2648661 -1.9410078 -0.4868978 -0.0982184 -0.4742675 -2.2501945 2 O -1.0820083 0.1422780 -0.0319396 0.2648661 -1.9410078 0.4868978 -0.0982184 0.4742675 -2.2501945 3 O -1.0820083 -0.1422780 -0.0319396 -0.2648661 -1.9410078 -0.4868978 -0.0982184 -0.4742675 -2.2501945 4 O -1.0820083 0.1422780 -0.0319396 0.2648661 -1.9410078 0.4868978 -0.0982184 0.4742675 -2.2501945 5 O -2.5907173 -0.1366283 -0.5275699 -0.2168179 -1.4549861 0.0246529 -0.5590530 0.1153867 -1.2180838 6 O -2.5907173 0.1366283 -0.5275699 0.2168179 -1.4549861 -0.0246529 -0.5590530 -0.1153867 -1.2180838 7 O -2.5907173 -0.1366283 -0.5275699 -0.2168179 -1.4549861 0.0246529 -0.5590530 0.1153867 -1.2180838 8 O -2.5907173 0.1366283 -0.5275699 0.2168179 -1.4549861 -0.0246529 -0.5590530 -0.1153867 -1.2180838 9 O -2.0212415 -0.1283567 0.5264601 -0.1925217 -1.4862687 0.2528583 0.5355011 0.3161350 -1.5963952 10 O -2.0212415 0.1283567 0.5264601 0.1925217 -1.4862687 -0.2528583 0.5355011 -0.3161350 -1.5963952 11 O -1.5808868 -0.2844292 0.1928797 -0.4935215 -1.8551789 -0.4441268 0.1849996 -0.4191809 -1.5580024 12 O -1.5808868 0.2844292 0.1928797 0.4935215 -1.8551789 0.4441268 0.1849996 0.4191809 -1.5580024 13 O -1.5808868 -0.2844292 0.1928797 -0.4935215 -1.8551789 -0.4441268 0.1849996 -0.4191809 -1.5580024 14 O -1.5808868 0.2844292 0.1928797 0.4935215 -1.8551789 0.4441268 0.1849996 0.4191809 -1.5580024 15 O -2.0212415 0.1283567 0.5264601 0.1925217 -1.4862687 -0.2528583 0.5355011 -0.3161350 -1.5963952 16 O -2.0212415 -0.1283567 0.5264601 -0.1925217 -1.4862687 0.2528583 0.5355011 0.3161350 -1.5963952 17 Zn 2.2633140 -0.1048667 -0.1819059 0.3483577 2.3153806 -0.0400767 -0.0503548 -0.1036930 2.0060192 18 Zn 2.2633140 0.1048667 -0.1819059 -0.3483577 2.3153806 0.0400767 -0.0503548 0.1036930 2.0060192 19 Zn 2.2633140 -0.1048667 -0.1819059 0.3483577 2.3153806 -0.0400767 -0.0503548 -0.1036930 2.0060192 20 Zn 2.2633140 0.1048667 -0.1819059 -0.3483577 2.3153806 0.0400767 -0.0503548 0.1036930 2.0060192 21 Zn 2.4742650 -0.2299859 0.1631125 0.1335706 2.7119202 0.4023091 -0.2441960 -0.3166708 2.4216742 22 Zn 2.4742650 0.2299859 0.1631125 -0.1335706 2.7119202 -0.4023091 -0.2441960 0.3166708 2.4216742 23 As 3.7744074 0.0975243 -0.0594806 0.1007393 3.0661009 -0.1675006 0.1092234 -0.0874354 3.4058197 24 As 3.7744074 -0.0975243 -0.0594806 -0.1007393 3.0661009 0.1675006 0.1092234 0.0874354 3.4058197 25 As 3.7744074 0.0975243 -0.0594806 0.1007393 3.0661009 -0.1675006 0.1092234 -0.0874354 3.4058197 26 As 3.7744074 -0.0975243 -0.0594806 -0.1007393 3.0661009 0.1675006 0.1092234 0.0874354 3.4058197 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: 0.00000002 (xxz) 0.00000002 (xxz) 0.00000002 (xzx) Max drift of fc2: 0.00000000 (xx) 0.00000000 (xx) --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperature: 0.0 10.0 20.0 30.0 40.0 ... 1000.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 Length for sampling mesh generation: 50.00 Generating grid system ... [ 11 6 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: 0.59, Number of G-points: 299, Lambda: 0.11 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/136) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 136 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 1.897 ( 0.000 0.000 0.000) 0.000 2.190 ( 0.000 0.000 0.000) 0.000 2.204 ( 0.000 0.000 0.000) 0.000 2.435 ( 0.000 0.000 0.000) 0.000 2.535 ( 0.000 0.000 0.000) 0.000 2.650 ( 0.000 0.000 0.000) 0.000 2.705 ( 0.000 0.000 0.000) 0.000 2.990 ( 0.000 0.000 0.000) 0.000 3.337 ( 0.000 0.000 0.000) 0.000 3.349 ( 0.000 0.000 0.000) 0.000 3.413 ( 0.000 0.000 0.000) 0.000 3.556 ( 0.000 0.000 0.000) 0.000 3.662 ( 0.000 0.000 0.000) 0.000 3.810 ( 0.000 0.000 0.000) 0.000 3.947 ( 0.000 0.000 0.000) 0.000 4.344 ( 0.000 0.000 0.000) 0.000 4.379 ( 0.000 0.000 0.000) 0.000 4.651 ( 0.000 0.000 0.000) 0.000 4.826 ( 0.000 0.000 0.000) 0.000 5.045 ( 0.000 0.000 0.000) 0.000 5.191 ( 0.000 0.000 0.000) 0.000 5.269 ( 0.000 0.000 0.000) 0.000 5.532 ( 0.000 0.000 0.000) 0.000 5.673 ( 0.000 0.000 0.000) 0.000 5.728 ( 0.000 0.000 0.000) 0.000 6.114 ( 0.000 0.000 0.000) 0.000 6.339 ( 0.000 0.000 0.000) 0.000 6.707 ( 0.000 0.000 0.000) 0.000 6.800 ( 0.000 0.000 0.000) 0.000 6.932 ( 0.000 0.000 0.000) 0.000 7.436 ( 0.000 0.000 0.000) 0.000 7.552 ( 0.000 0.000 0.000) 0.000 7.799 ( 0.000 0.000 0.000) 0.000 8.063 ( 0.000 0.000 0.000) 0.000 8.368 ( 0.000 0.000 0.000) 0.000 8.440 ( 0.000 0.000 0.000) 0.000 8.494 ( 0.000 0.000 0.000) 0.000 8.530 ( 0.000 0.000 0.000) 0.000 8.641 ( 0.000 0.000 0.000) 0.000 9.610 ( 0.000 0.000 0.000) 0.000 9.892 ( 0.000 0.000 0.000) 0.000 10.140 ( 0.000 0.000 0.000) 0.000 10.314 ( 0.000 0.000 0.000) 0.000 11.108 ( 0.000 0.000 0.000) 0.000 11.235 ( 0.000 0.000 0.000) 0.000 11.420 ( 0.000 0.000 0.000) 0.000 11.817 ( 0.000 0.000 0.000) 0.000 12.838 ( 0.000 0.000 0.000) 0.000 12.928 ( 0.000 0.000 0.000) 0.000 12.975 ( 0.000 0.000 0.000) 0.000 13.111 ( 0.000 0.000 0.000) 0.000 13.575 ( 0.000 0.000 0.000) 0.000 13.674 ( 0.000 0.000 0.000) 0.000 13.912 ( 0.000 0.000 0.000) 0.000 14.405 ( 0.000 0.000 0.000) 0.000 14.561 ( 0.000 0.000 0.000) 0.000 14.956 ( 0.000 0.000 0.000) 0.000 15.305 ( 0.000 0.000 0.000) 0.000 15.580 ( 0.000 0.000 0.000) 0.000 21.109 ( 0.000 0.000 0.000) 0.000 21.429 ( 0.000 0.000 0.000) 0.000 21.685 ( 0.000 0.000 0.000) 0.000 22.594 ( 0.000 0.000 0.000) 0.000 22.773 ( 0.000 0.000 0.000) 0.000 22.955 ( 0.000 0.000 0.000) 0.000 23.108 ( 0.000 0.000 0.000) 0.000 23.171 ( 0.000 0.000 0.000) 0.000 23.353 ( 0.000 0.000 0.000) 0.000 23.505 ( 0.000 0.000 0.000) 0.000 24.094 ( 0.000 0.000 0.000) 0.000 24.264 ( 0.000 0.000 0.000) 0.000 24.514 ( 0.000 0.000 0.000) 0.000 24.745 ( 0.000 0.000 0.000) 0.000 24.882 ( 0.000 0.000 0.000) 0.000 25.607 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/136) ======================= q-point: ( 0.09 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 136 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.380 ( 13.601 0.000 13.650) 19.270 0.465 ( 19.765 0.000 12.627) 23.454 1.079 ( 52.364 0.000 14.269) 54.273 2.106 ( 10.820 0.000 -2.588) 11.125 2.166 ( 7.417 0.000 -4.344) 8.595 2.325 ( 15.444 0.000 -1.564) 15.523 2.412 ( 4.859 0.000 -7.948) 9.316 2.518 ( 1.993 0.000 -3.867) 4.351 2.741 ( 12.530 0.000 -0.886) 12.562 2.761 ( 2.908 0.000 2.494) 3.831 3.073 ( 8.688 0.000 -7.020) 11.170 3.230 ( -7.968 0.000 -4.993) 9.403 3.323 ( -2.148 0.000 -1.394) 2.561 3.542 ( 8.643 0.000 3.938) 9.498 3.621 ( -1.724 0.000 14.206) 14.310 3.804 ( -3.524 0.000 2.686) 4.431 3.904 ( -1.852 0.000 -4.913) 5.251 4.070 ( 3.402 0.000 1.351) 3.660 4.367 ( 5.215 0.000 -3.217) 6.127 4.420 ( 3.703 0.000 1.301) 3.925 4.655 ( -2.326 0.000 2.739) 3.594 4.788 ( -2.527 0.000 -2.150) 3.318 5.082 ( -1.310 0.000 -8.509) 8.609 5.189 ( -6.002 0.000 6.995) 9.217 5.417 ( 7.708 0.000 5.639) 9.550 5.477 ( -3.733 0.000 -4.306) 5.699 5.731 ( 3.498 0.000 5.416) 6.447 5.819 ( 0.318 0.000 12.012) 12.016 6.101 ( -3.305 0.000 2.957) 4.435 6.400 ( -11.429 0.000 0.687) 11.449 6.671 ( -6.091 0.000 5.612) 8.282 6.692 ( -10.992 0.000 -2.757) 11.333 7.292 ( -8.565 0.000 1.643) 8.721 7.404 ( 0.849 0.000 -0.135) 0.860 7.464 ( -6.550 0.000 -5.807) 8.753 7.955 ( -9.096 0.000 -4.148) 9.997 8.061 ( 8.449 0.000 -1.143) 8.526 8.236 ( -8.187 0.000 11.505) 14.121 8.515 ( 6.042 0.000 -2.549) 6.558 8.623 ( 4.512 0.000 -6.670) 8.052 8.728 ( 17.856 0.000 -1.902) 17.957 9.028 ( -0.640 0.000 -2.472) 2.553 9.666 ( 5.739 0.000 0.362) 5.750 10.096 ( -0.780 0.000 -7.229) 7.271 10.136 ( -1.503 0.000 2.220) 2.681 10.352 ( 2.407 0.000 1.326) 2.749 11.122 ( 2.460 0.000 -0.924) 2.627 11.400 ( -2.657 0.000 0.962) 2.826 11.811 ( 1.180 0.000 -3.358) 3.560 11.840 ( -21.241 0.000 33.184) 39.400 12.851 ( -0.013 0.000 2.560) 2.560 12.901 ( -4.211 0.000 -2.859) 5.090 13.003 ( 1.355 0.000 -5.834) 5.989 13.186 ( 3.787 0.000 3.616) 5.236 13.587 ( 2.905 0.000 -2.842) 4.064 13.632 ( -3.449 0.000 -2.110) 4.043 13.915 ( 0.477 0.000 -0.699) 0.846 14.554 ( -2.924 0.000 3.828) 4.817 14.643 ( 27.333 0.000 -46.798) 54.196 14.987 ( -10.752 0.000 14.075) 17.712 15.319 ( -0.436 0.000 3.425) 3.453 15.611 ( 1.685 0.000 3.056) 3.490 21.107 ( 0.312 0.000 -0.863) 0.917 21.446 ( 1.586 0.000 0.589) 1.692 21.737 ( -3.125 0.000 7.500) 8.125 22.512 ( -5.503 0.000 -6.305) 8.369 22.765 ( -1.434 0.000 2.827) 3.169 22.904 ( -7.097 0.000 3.889) 8.093 23.257 ( 5.450 0.000 3.547) 6.502 23.293 ( 7.925 0.000 -0.104) 7.926 23.518 ( 3.539 0.000 -1.635) 3.898 24.093 ( 0.197 0.000 0.652) 0.681 24.201 ( 3.623 0.000 -3.727) 5.197 24.504 ( -1.006 0.000 -0.421) 1.090 24.753 ( 1.959 0.000 -1.537) 2.490 24.878 ( 0.556 0.000 -1.634) 1.726 25.589 ( -1.809 0.000 -0.364) 1.845 25.776 ( 9.144 0.000 -12.670) 15.625 ======================= Grid point 2 (3/136) ======================= q-point: ( 0.18 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 136 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.712 ( 11.462 0.000 9.357) 14.796 0.921 ( 19.291 0.000 11.544) 22.481 1.972 ( 30.961 0.000 12.069) 33.230 2.014 ( -4.175 0.000 -9.913) 10.757 2.276 ( 3.190 0.000 -1.898) 3.713 2.459 ( 6.471 0.000 -7.254) 9.721 2.685 ( 18.416 0.000 -13.556) 22.868 2.686 ( 26.791 0.000 -0.236) 26.792 2.826 ( 2.875 0.000 0.367) 2.898 3.069 ( -2.398 0.000 -0.322) 2.420 3.088 ( 27.949 0.000 2.655) 28.075 3.104 ( 4.401 0.000 -8.187) 9.295 3.309 ( 1.758 0.000 -0.638) 1.870 3.687 ( -9.224 0.000 -1.714) 9.382 3.691 ( 3.783 0.000 -1.398) 4.033 3.726 ( -1.771 0.000 15.961) 16.059 3.851 ( 2.019 0.000 -5.889) 6.226 4.250 ( 12.490 0.000 6.332) 14.004 4.435 ( 2.350 0.000 -3.734) 4.412 4.520 ( 5.545 0.000 2.396) 6.040 4.555 ( -4.645 0.000 -4.424) 6.415 4.784 ( 2.394 0.000 2.411) 3.398 5.028 ( 3.007 0.000 -5.271) 6.068 5.154 ( -3.589 0.000 3.819) 5.241 5.385 ( 0.820 0.000 -9.247) 9.284 5.607 ( 6.431 0.000 6.280) 8.989 5.856 ( 3.259 0.000 4.468) 5.530 5.897 ( -7.288 0.000 9.694) 12.128 6.047 ( -7.654 0.000 3.813) 8.551 6.144 ( -11.876 0.000 -2.980) 12.245 6.418 ( -13.133 0.000 -3.421) 13.571 6.648 ( -4.591 0.000 8.908) 10.022 7.189 ( -2.785 0.000 -1.448) 3.139 7.240 ( -9.847 0.000 -9.377) 13.597 7.445 ( 2.470 0.000 1.910) 3.122 7.770 ( -6.162 0.000 -4.606) 7.693 8.043 ( -4.792 0.000 -8.125) 9.433 8.284 ( -3.113 0.000 16.299) 16.594 8.603 ( 7.553 0.000 -5.007) 9.062 8.757 ( 15.161 0.000 -2.843) 15.425 8.949 ( -9.019 0.000 2.732) 9.423 8.989 ( 14.156 0.000 -1.112) 14.199 9.782 ( 5.830 0.000 1.233) 5.959 10.005 ( -3.039 0.000 -3.889) 4.936 10.144 ( -0.621 0.000 3.657) 3.709 10.390 ( -0.076 0.000 1.420) 1.422 11.182 ( 6.014 0.000 -1.583) 6.219 11.354 ( -3.345 0.000 0.464) 3.377 11.780 ( -12.270 0.000 14.195) 18.763 11.792 ( 1.605 0.000 -5.403) 5.636 12.812 ( -3.193 0.000 -1.623) 3.582 12.880 ( -0.902 0.000 4.118) 4.215 12.966 ( -0.434 0.000 -2.319) 2.359 13.271 ( 1.738 0.000 3.231) 3.669 13.523 ( -4.810 0.000 -4.961) 6.910 13.616 ( 4.485 0.000 -4.595) 6.422 13.911 ( -0.368 0.000 -0.334) 0.497 14.534 ( -5.558 0.000 7.096) 9.013 14.662 ( 12.922 0.000 -20.891) 24.565 14.926 ( -4.382 0.000 0.765) 4.449 15.352 ( -0.578 0.000 4.915) 4.949 15.685 ( 1.522 0.000 5.479) 5.687 21.104 ( 0.660 0.000 -1.318) 1.474 21.489 ( 2.329 0.000 0.766) 2.452 21.763 ( -1.537 0.000 5.824) 6.023 22.317 ( -8.529 0.000 -7.254) 11.196 22.784 ( -0.445 0.000 3.872) 3.898 22.809 ( -7.029 0.000 2.006) 7.310 23.327 ( 1.332 0.000 -1.899) 2.320 23.447 ( 11.836 0.000 -4.696) 12.734 23.660 ( 11.844 0.000 3.634) 12.388 24.119 ( 3.101 0.000 -2.797) 4.176 24.230 ( -0.413 0.000 5.727) 5.741 24.466 ( -2.512 0.000 -1.326) 2.841 24.785 ( 3.978 0.000 -2.392) 4.642 24.872 ( 1.015 0.000 -2.122) 2.352 25.546 ( -2.381 0.000 -0.465) 2.425 25.817 ( 4.751 0.000 -3.944) 6.174 ======================= Grid point 3 (4/136) ======================= q-point: ( 0.27 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 136 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.952 ( 8.752 0.000 4.360) 9.778 1.340 ( 17.168 0.000 8.978) 19.374 1.801 ( -6.885 0.000 -13.462) 15.120 2.301 ( 3.345 0.000 -3.534) 4.866 2.394 ( 13.438 0.000 6.806) 15.063 2.501 ( 5.553 0.000 -4.779) 7.327 2.617 ( -2.708 0.000 -10.502) 10.846 2.868 ( 3.587 0.000 -1.831) 4.027 3.023 ( 1.470 0.000 -4.729) 4.952 3.055 ( -6.090 0.000 1.732) 6.331 3.236 ( 5.982 0.000 -1.945) 6.291 3.509 ( 25.374 0.000 10.139) 27.325 3.544 ( -3.901 0.000 -1.382) 4.138 3.648 ( 25.630 0.000 -4.641) 26.046 3.695 ( 6.583 0.000 -5.828) 8.793 3.860 ( 8.453 0.000 -5.414) 10.038 3.886 ( 5.530 0.000 12.877) 14.014 4.270 ( -6.263 0.000 -4.795) 7.888 4.516 ( 7.860 0.000 8.204) 11.362 4.588 ( 7.163 0.000 -3.160) 7.829 4.648 ( 5.488 0.000 3.807) 6.680 4.855 ( -0.461 0.000 2.545) 2.586 5.065 ( 5.536 0.000 -3.500) 6.550 5.124 ( -0.524 0.000 -6.465) 6.486 5.337 ( 0.823 0.000 -1.811) 1.989 5.584 ( -14.049 0.000 -0.738) 14.069 5.661 ( -19.925 0.000 4.080) 20.338 5.922 ( -2.929 0.000 -1.805) 3.440 5.984 ( 7.776 0.000 4.564) 9.017 6.111 ( 3.465 0.000 1.695) 3.857 6.320 ( -2.441 0.000 6.963) 7.379 6.660 ( -3.766 0.000 5.860) 6.966 6.985 ( -8.376 0.000 -9.176) 12.424 7.170 ( 3.432 0.000 -3.708) 5.053 7.521 ( 3.599 0.000 2.773) 4.544 7.670 ( 0.031 0.000 -3.847) 3.847 7.830 ( -7.869 0.000 -9.306) 12.187 8.418 ( -0.184 0.000 15.628) 15.629 8.650 ( 2.701 0.000 -4.449) 5.205 8.767 ( -15.543 0.000 3.479) 15.928 9.000 ( 13.526 0.000 -0.826) 13.551 9.196 ( 11.103 0.000 -1.018) 11.150 9.877 ( 3.075 0.000 3.380) 4.569 9.932 ( -2.194 0.000 -1.053) 2.434 10.180 ( 0.343 0.000 3.013) 3.033 10.372 ( -2.563 0.000 -0.438) 2.600 11.291 ( 8.441 0.000 -2.421) 8.781 11.302 ( -2.169 0.000 -1.145) 2.453 11.702 ( -9.530 0.000 8.678) 12.889 11.762 ( 1.308 0.000 -5.822) 5.967 12.765 ( -1.409 0.000 0.191) 1.422 12.875 ( -2.928 0.000 1.990) 3.540 12.971 ( 1.510 0.000 1.081) 1.857 13.281 ( -4.509 0.000 0.254) 4.516 13.403 ( -1.309 0.000 -4.947) 5.118 13.647 ( 4.425 0.000 -4.924) 6.620 13.897 ( -1.025 0.000 0.130) 1.033 14.502 ( -7.129 0.000 8.795) 11.322 14.678 ( 6.407 0.000 -10.031) 11.903 14.862 ( -0.025 0.000 -5.597) 5.597 15.390 ( -0.447 0.000 4.596) 4.618 15.755 ( -0.179 0.000 5.956) 5.958 21.105 ( 0.944 0.000 -1.248) 1.565 21.535 ( 2.161 0.000 0.562) 2.233 21.793 ( -0.954 0.000 4.552) 4.651 22.100 ( -8.696 0.000 -6.248) 10.708 22.710 ( -5.662 0.000 0.599) 5.694 22.808 ( -1.282 0.000 3.101) 3.355 23.325 ( 2.946 0.000 -3.406) 4.503 23.594 ( 9.755 0.000 -3.507) 10.366 23.934 ( 12.334 0.000 6.522) 13.952 24.104 ( 0.388 0.000 -6.208) 6.220 24.333 ( 3.185 0.000 9.682) 10.192 24.395 ( -3.308 0.000 -2.244) 3.997 24.837 ( 4.610 0.000 -2.902) 5.447 24.869 ( 0.956 0.000 -2.277) 2.469 25.508 ( -1.406 0.000 -0.157) 1.415 25.855 ( 2.477 0.000 -1.381) 2.836 ======================= Grid point 4 (5/136) ======================= q-point: ( 0.36 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 136 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.104 ( 5.795 0.000 1.497) 5.986 1.493 ( -6.522 0.000 -12.566) 14.158 1.703 ( 10.791 0.000 2.724) 11.129 2.327 ( 1.731 0.000 0.404) 1.777 2.528 ( 1.357 0.000 -4.448) 4.650 2.548 ( 5.890 0.000 -4.822) 7.612 2.666 ( 10.206 0.000 5.668) 11.674 2.912 ( -8.464 0.000 -0.226) 8.467 2.917 ( 3.861 0.000 -1.319) 4.080 2.981 ( -2.499 0.000 1.358) 2.844 3.204 ( -3.508 0.000 -0.992) 3.645 3.491 ( -3.323 0.000 -0.088) 3.324 3.589 ( -0.823 0.000 -8.506) 8.546 3.731 ( 1.515 0.000 -9.583) 9.702 3.855 ( -1.367 0.000 -6.878) 7.012 3.931 ( 3.697 0.000 7.965) 8.782 4.401 ( 32.115 0.000 5.703) 32.618 4.404 ( 9.057 0.000 2.341) 9.354 4.631 ( -12.514 0.000 -0.344) 12.518 4.662 ( 0.415 0.000 9.900) 9.909 4.760 ( 2.988 0.000 3.390) 4.519 4.823 ( 14.949 0.000 -3.447) 15.341 5.009 ( -1.905 0.000 -3.821) 4.269 5.127 ( 5.641 0.000 -4.008) 6.920 5.370 ( -5.745 0.000 -2.745) 6.367 5.380 ( 0.944 0.000 2.453) 2.629 5.444 ( -6.523 0.000 0.339) 6.532 5.898 ( 1.642 0.000 0.200) 1.655 6.169 ( 6.010 0.000 2.961) 6.700 6.191 ( 3.111 0.000 1.474) 3.442 6.345 ( -5.128 0.000 9.520) 10.813 6.578 ( -9.027 0.000 -1.977) 9.241 6.777 ( -6.539 0.000 -7.790) 10.171 7.229 ( 6.785 0.000 -3.527) 7.647 7.618 ( 6.757 0.000 -3.071) 7.422 7.663 ( -2.616 0.000 -0.858) 2.753 7.737 ( 11.140 0.000 -0.581) 11.155 8.489 ( -20.329 0.000 3.502) 20.629 8.534 ( -0.520 0.000 1.466) 1.556 8.612 ( -4.777 0.000 6.531) 8.092 9.180 ( 8.033 0.000 -0.636) 8.058 9.343 ( 7.275 0.000 -1.558) 7.440 9.924 ( 0.572 0.000 2.517) 2.581 9.967 ( 2.922 0.000 4.451) 5.324 10.200 ( -0.685 0.000 1.740) 1.870 10.296 ( -4.072 0.000 -3.031) 5.076 11.259 ( -0.882 0.000 -2.182) 2.353 11.410 ( 8.534 0.000 -3.941) 9.400 11.628 ( -7.825 0.000 7.159) 10.606 11.726 ( 0.587 0.000 -4.647) 4.683 12.771 ( 0.825 0.000 2.124) 2.279 12.842 ( -2.102 0.000 0.786) 2.244 13.013 ( 1.353 0.000 1.769) 2.227 13.133 ( -7.541 0.000 -5.060) 9.081 13.387 ( 0.845 0.000 -0.872) 1.214 13.669 ( 3.074 0.000 -3.803) 4.890 13.881 ( -0.945 0.000 0.206) 0.967 14.465 ( -6.094 0.000 7.417) 9.600 14.686 ( 2.256 0.000 -3.725) 4.355 14.821 ( 2.264 0.000 -6.923) 7.284 15.423 ( -0.163 0.000 3.189) 3.193 15.790 ( -1.442 0.000 4.304) 4.539 21.112 ( 0.907 0.000 -0.823) 1.225 21.574 ( 1.836 0.000 0.461) 1.893 21.816 ( -0.612 0.000 2.778) 2.845 21.910 ( -6.977 0.000 -4.491) 8.298 22.632 ( -3.715 0.000 0.208) 3.721 22.794 ( -2.145 0.000 0.701) 2.256 23.385 ( 5.955 0.000 -0.402) 5.969 23.717 ( 7.206 0.000 -0.959) 7.269 24.030 ( -2.311 0.000 -5.092) 5.591 24.117 ( 0.541 0.000 2.122) 2.190 24.372 ( 4.162 0.000 1.521) 4.432 24.492 ( 4.699 0.000 7.514) 8.862 24.857 ( 0.392 0.000 -2.699) 2.727 24.875 ( 3.040 0.000 -3.274) 4.468 25.498 ( 0.012 0.000 0.263) 0.263 25.874 ( 0.870 0.000 -0.534) 1.021 ======================= Grid point 5 (6/136) ======================= q-point: ( 0.45 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 136 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.181 ( 2.041 0.000 0.321) 2.066 1.280 ( -4.008 0.000 -6.579) 7.703 1.855 ( 3.939 0.000 0.359) 3.955 2.364 ( 0.217 0.000 1.849) 1.862 2.545 ( 2.042 0.000 -0.838) 2.208 2.597 ( 2.732 0.000 -1.163) 2.970 2.790 ( 2.421 0.000 -2.517) 3.493 2.832 ( -0.779 0.000 0.821) 1.132 2.958 ( 0.466 0.000 1.822) 1.880 3.019 ( 1.570 0.000 2.521) 2.970 3.188 ( 1.856 0.000 6.327) 6.593 3.374 ( -5.948 0.000 -3.355) 6.829 3.438 ( -4.814 0.000 -10.585) 11.628 3.658 ( 0.027 0.000 -2.677) 2.677 3.917 ( 11.238 0.000 -0.207) 11.240 4.026 ( 1.155 0.000 3.306) 3.502 4.209 ( -19.003 0.000 -3.991) 19.417 4.528 ( -2.760 0.000 -2.688) 3.853 4.546 ( 0.079 0.000 1.449) 1.451 4.792 ( 0.196 0.000 2.192) 2.201 4.958 ( 7.881 0.000 2.233) 8.192 5.009 ( 1.265 0.000 -0.727) 1.460 5.143 ( 9.544 0.000 12.115) 15.423 5.247 ( 5.594 0.000 -2.110) 5.979 5.304 ( -1.767 0.000 -6.727) 6.955 5.382 ( 12.963 0.000 -2.061) 13.126 5.483 ( 2.782 0.000 3.011) 4.100 5.911 ( -3.633 0.000 2.084) 4.188 6.204 ( -3.513 0.000 3.177) 4.736 6.231 ( 0.519 0.000 0.396) 0.653 6.347 ( -9.558 0.000 -5.122) 10.844 6.355 ( -0.247 0.000 2.373) 2.385 6.626 ( -2.812 0.000 -4.204) 5.058 7.292 ( 2.268 0.000 -0.778) 2.398 7.621 ( 1.092 0.000 -1.598) 1.935 7.823 ( 16.125 0.000 -1.458) 16.191 8.014 ( 17.467 0.000 2.699) 17.675 8.154 ( -21.473 0.000 3.165) 21.705 8.358 ( -13.366 0.000 -4.235) 14.021 8.664 ( -0.438 0.000 5.163) 5.181 9.265 ( 2.515 0.000 -0.324) 2.536 9.416 ( 2.543 0.000 -0.865) 2.686 9.991 ( 2.521 0.000 3.734) 4.505 10.045 ( 1.581 0.000 2.147) 2.666 10.187 ( -3.653 0.000 -3.727) 5.219 10.199 ( -0.488 0.000 0.598) 0.772 11.231 ( -0.302 0.000 -1.175) 1.213 11.498 ( 6.428 0.000 -4.869) 8.064 11.573 ( -5.942 0.000 5.906) 8.378 11.699 ( 0.109 0.000 -1.818) 1.821 12.822 ( -0.719 0.000 0.241) 0.759 12.836 ( 3.340 0.000 3.885) 5.123 12.962 ( -5.921 0.000 -5.202) 7.881 13.043 ( 0.530 0.000 0.740) 0.910 13.393 ( 0.326 0.000 -0.170) 0.367 13.679 ( 1.071 0.000 -1.439) 1.794 13.871 ( -0.370 0.000 0.079) 0.379 14.442 ( -2.372 0.000 2.898) 3.745 14.686 ( 0.402 0.000 -0.819) 0.913 14.804 ( 1.257 0.000 -3.003) 3.256 15.444 ( 0.006 0.000 1.145) 1.145 15.796 ( -0.847 0.000 1.518) 1.738 21.118 ( 0.386 0.000 -0.277) 0.475 21.607 ( 1.294 0.000 0.465) 1.375 21.785 ( -3.266 0.000 -1.945) 3.802 21.826 ( -0.229 0.000 0.903) 0.931 22.590 ( -1.300 0.000 0.083) 1.302 22.766 ( -0.981 0.000 -0.154) 0.993 23.485 ( 3.800 0.000 0.844) 3.893 23.827 ( 5.371 0.000 1.386) 5.547 23.933 ( -3.923 0.000 -3.394) 5.188 24.063 ( -3.098 0.000 -1.080) 3.281 24.494 ( 3.747 0.000 2.548) 4.532 24.614 ( 2.309 0.000 3.526) 4.215 24.833 ( -0.157 0.000 -1.915) 1.921 24.879 ( 0.777 0.000 -1.913) 2.065 25.505 ( 0.288 0.000 0.206) 0.354 25.878 ( 0.129 0.000 -0.156) 0.202 ======================= Grid point 11 (7/136) ======================= q-point: ( 0.00 0.17 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 102 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.447 ( 0.000 22.501 0.000) 22.501 0.483 ( 0.000 24.263 0.000) 24.263 0.892 ( 0.000 41.270 0.000) 41.270 1.948 ( 0.000 -4.917 0.000) 4.917 2.191 ( 0.000 -15.749 0.000) 15.749 2.225 ( 0.000 3.280 0.000) 3.280 2.515 ( 0.000 4.726 0.000) 4.726 2.589 ( 0.000 -4.340 0.000) 4.340 2.635 ( 0.000 3.874 0.000) 3.874 2.773 ( 0.000 5.696 0.000) 5.696 3.063 ( 0.000 6.054 0.000) 6.054 3.251 ( 0.000 -4.869 0.000) 4.869 3.324 ( 0.000 -2.032 0.000) 2.032 3.448 ( 0.000 -0.382 0.000) 0.382 3.591 ( 0.000 3.464 0.000) 3.464 3.665 ( 0.000 0.949 0.000) 0.949 3.844 ( 0.000 2.005 0.000) 2.005 4.045 ( 0.000 -5.288 0.000) 5.288 4.447 ( 0.000 5.470 0.000) 5.470 4.618 ( 0.000 -3.964 0.000) 3.964 4.804 ( 0.000 -2.872 0.000) 2.872 4.866 ( 0.000 -1.971 0.000) 1.971 4.990 ( 0.000 -4.380 0.000) 4.380 5.207 ( 0.000 -6.076 0.000) 6.076 5.524 ( 0.000 0.305 0.000) 0.305 5.547 ( 0.000 -2.586 0.000) 2.586 5.703 ( 0.000 1.523 0.000) 1.523 5.741 ( 0.000 0.186 0.000) 0.186 6.175 ( 0.000 4.292 0.000) 4.292 6.303 ( 0.000 -3.054 0.000) 3.054 6.706 ( 0.000 1.099 0.000) 1.099 6.854 ( 0.000 4.168 0.000) 4.168 6.940 ( 0.000 0.681 0.000) 0.681 7.429 ( 0.000 -9.637 0.000) 9.637 7.490 ( 0.000 5.355 0.000) 5.355 7.888 ( 0.000 5.548 0.000) 5.548 8.122 ( 0.000 1.185 0.000) 1.185 8.389 ( 0.000 -3.773 0.000) 3.773 8.407 ( 0.000 -0.846 0.000) 0.846 8.439 ( 0.000 -4.887 0.000) 4.887 8.561 ( 0.000 2.014 0.000) 2.014 8.639 ( 0.000 -0.178 0.000) 0.178 9.664 ( 0.000 5.302 0.000) 5.302 9.937 ( 0.000 4.206 0.000) 4.206 10.202 ( 0.000 -3.541 0.000) 3.541 10.296 ( 0.000 -1.862 0.000) 1.862 11.119 ( 0.000 1.099 0.000) 1.099 11.221 ( 0.000 -1.168 0.000) 1.168 11.453 ( 0.000 3.263 0.000) 3.263 11.933 ( 0.000 -4.160 0.000) 4.160 12.850 ( 0.000 1.149 0.000) 1.149 12.907 ( 0.000 -1.543 0.000) 1.543 12.984 ( 0.000 0.529 0.000) 0.529 13.337 ( 0.000 -12.869 0.000) 12.869 13.851 ( 0.000 10.471 0.000) 10.471 13.934 ( 0.000 2.067 0.000) 2.067 14.370 ( 0.000 -2.315 0.000) 2.315 14.398 ( 0.000 -0.697 0.000) 0.697 14.600 ( 0.000 3.457 0.000) 3.457 14.926 ( 0.000 -2.798 0.000) 2.798 15.345 ( 0.000 3.716 0.000) 3.716 15.722 ( 0.000 -2.666 0.000) 2.666 21.152 ( 0.000 4.241 0.000) 4.241 21.649 ( 0.000 -3.599 0.000) 3.599 22.384 ( 0.000 1.440 0.000) 1.440 22.578 ( 0.000 -1.599 0.000) 1.599 22.969 ( 0.000 1.365 0.000) 1.365 23.101 ( 0.000 -0.605 0.000) 0.605 23.207 ( 0.000 3.499 0.000) 3.499 23.353 ( 0.000 0.136 0.000) 0.136 23.484 ( 0.000 -1.954 0.000) 1.954 23.660 ( 0.000 -4.586 0.000) 4.586 24.133 ( 0.000 3.370 0.000) 3.370 24.263 ( 0.000 -0.065 0.000) 0.065 24.734 ( 0.000 -2.088 0.000) 2.088 24.740 ( 0.000 -0.472 0.000) 0.472 24.958 ( 0.000 6.340 0.000) 6.340 25.563 ( 0.000 -4.365 0.000) 4.365 ======================= Grid point 12 (8/136) ======================= q-point: ( 0.09 0.17 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 198 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.607 ( 8.324 18.555 7.458) 21.661 0.697 ( 18.213 17.121 1.308) 25.031 1.319 ( 33.524 20.278 12.848) 41.232 2.043 ( 7.938 -7.592 -5.139) 12.127 2.209 ( 3.930 -2.461 0.442) 4.658 2.340 ( 10.304 -2.639 -6.191) 12.307 2.379 ( 9.001 7.070 -10.861) 15.779 2.534 ( 3.268 -0.370 0.149) 3.292 2.774 ( 15.579 3.138 -3.211) 16.213 2.817 ( 2.958 6.073 -2.413) 7.173 3.090 ( 5.077 0.897 -7.818) 9.365 3.193 ( -4.535 -1.822 -3.574) 6.054 3.355 ( -0.259 2.954 1.730) 3.433 3.519 ( 2.621 -5.423 10.679) 12.260 3.574 ( -0.245 1.697 5.990) 6.230 3.827 ( -0.582 0.139 3.728) 3.776 3.864 ( 6.045 -1.371 3.399) 7.069 4.003 ( 1.665 -3.991 -5.946) 7.352 4.460 ( 1.608 3.330 -0.846) 3.793 4.520 ( -0.356 3.519 -8.531) 9.235 4.705 ( -6.233 1.649 0.496) 6.466 4.797 ( -1.422 2.245 0.019) 2.658 5.045 ( 2.093 -4.347 -4.538) 6.623 5.253 ( -12.053 4.390 7.631) 14.926 5.377 ( 6.217 -3.615 4.826) 8.661 5.516 ( -0.558 3.312 -9.594) 10.165 5.607 ( 0.336 -5.748 2.913) 6.453 5.847 ( 2.793 -1.353 7.395) 8.019 6.137 ( -6.423 2.529 2.809) 7.453 6.329 ( -7.794 -6.565 3.485) 10.769 6.634 ( -7.029 1.222 0.402) 7.146 6.779 ( -7.553 5.467 0.476) 9.336 7.208 ( 4.689 -7.236 2.217) 8.903 7.356 ( -3.476 -0.451 0.555) 3.549 7.486 ( -2.927 0.357 -1.792) 3.451 7.960 ( -6.375 -0.484 -4.219) 7.660 8.019 ( 4.699 -1.366 -1.553) 5.134 8.262 ( -9.958 1.593 12.515) 16.073 8.476 ( 8.151 -3.934 -7.002) 11.443 8.616 ( 7.784 -1.823 -4.954) 9.405 8.659 ( 12.927 -5.026 1.537) 13.955 8.847 ( 11.181 -7.799 5.200) 14.590 9.719 ( 5.411 4.815 -0.034) 7.243 9.962 ( 2.824 -2.450 -0.696) 3.803 10.193 ( -2.460 0.114 0.099) 2.465 10.292 ( 0.657 -3.419 1.783) 3.912 11.122 ( 2.112 0.512 -1.162) 2.464 11.389 ( 5.528 -11.824 11.312) 17.272 11.434 ( -2.539 3.218 0.969) 4.212 11.896 ( -3.402 -3.383 -0.649) 4.842 12.856 ( -1.182 0.437 3.403) 3.629 12.910 ( -0.566 -1.463 -0.669) 1.706 12.994 ( 1.324 0.807 -0.091) 1.554 13.343 ( 2.116 -11.573 -3.014) 12.144 13.726 ( -18.265 18.083 0.027) 25.702 13.909 ( -9.845 12.133 5.487) 16.560 13.953 ( -4.334 8.173 -3.941) 10.056 14.531 ( -0.705 -3.411 2.828) 4.487 14.627 ( 18.756 0.454 -29.682) 35.115 14.919 ( -4.690 -4.487 5.326) 8.396 15.365 ( -0.561 3.612 3.919) 5.359 15.653 ( -1.949 1.203 0.243) 2.304 21.150 ( 0.086 4.223 -0.520) 4.255 21.628 ( -1.683 -0.161 -1.962) 2.590 21.905 ( -19.115 19.983 -3.520) 27.876 22.496 ( -5.995 -1.725 -5.960) 8.628 22.798 ( -4.699 3.014 1.563) 5.797 22.907 ( -7.288 0.203 3.494) 8.085 23.266 ( 3.559 0.994 2.777) 4.622 23.325 ( 6.910 2.547 0.191) 7.367 23.516 ( 6.350 0.417 -1.678) 6.581 24.111 ( 5.042 -0.106 -6.331) 8.094 24.180 ( 2.812 -1.377 1.024) 3.294 24.441 ( 3.661 -6.185 3.504) 7.996 24.749 ( 2.364 -0.399 -2.016) 3.133 24.876 ( 4.275 -1.804 -2.519) 5.280 25.279 ( 25.141 -23.133 9.466) 35.452 25.548 ( -1.687 -4.127 0.091) 4.459 ======================= Grid point 13 (9/136) ======================= q-point: ( 0.18 0.17 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 198 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.841 ( 8.889 11.999 7.349) 16.643 1.050 ( 18.068 11.467 6.506) 22.367 1.918 ( 12.388 -3.414 4.994) 13.786 2.025 ( 7.606 -3.557 -6.078) 10.365 2.266 ( 2.522 -0.492 -2.881) 3.860 2.405 ( 5.289 -3.267 -6.404) 8.925 2.665 ( 25.863 1.354 -3.080) 26.081 2.761 ( 13.509 2.098 -4.160) 14.290 2.846 ( 4.467 3.652 -5.933) 8.276 3.066 ( 4.368 0.517 -4.950) 6.622 3.112 ( 24.654 2.452 0.689) 24.785 3.142 ( 7.757 4.014 -1.090) 8.801 3.377 ( 1.570 6.042 -0.252) 6.248 3.596 ( -3.407 -3.051 3.130) 5.542 3.680 ( 2.986 -3.746 10.656) 11.683 3.779 ( -5.200 2.057 -0.415) 5.607 3.881 ( 1.331 2.246 -4.061) 4.828 4.198 ( 15.319 -4.821 5.092) 16.848 4.472 ( 1.737 2.617 -4.522) 5.506 4.499 ( -2.088 -0.632 -0.276) 2.199 4.624 ( 2.108 5.509 -2.801) 6.530 4.800 ( 1.476 1.021 1.272) 2.200 5.030 ( 3.062 -1.837 -6.092) 7.061 5.159 ( -5.217 2.133 4.458) 7.186 5.389 ( -0.554 0.537 -8.784) 8.817 5.568 ( 4.894 -6.295 6.698) 10.413 5.725 ( 6.234 -5.658 4.840) 9.710 5.945 ( -8.669 0.919 6.832) 11.076 5.983 ( -4.596 -4.733 2.112) 6.927 6.157 ( -14.319 -2.182 0.854) 14.509 6.463 ( -9.100 5.571 -2.368) 10.930 6.684 ( -5.945 3.837 5.640) 9.049 7.169 ( -2.893 -0.513 -4.941) 5.749 7.284 ( -5.946 2.227 -2.843) 6.956 7.440 ( 0.496 0.433 0.504) 0.829 7.783 ( -5.454 0.707 -4.976) 7.417 7.997 ( -4.745 -4.055 -5.851) 8.555 8.275 ( -4.902 -1.712 14.317) 15.230 8.579 ( 8.825 -1.719 -4.789) 10.186 8.752 ( 12.986 -1.135 -3.084) 13.395 8.824 ( 0.487 -6.809 3.487) 7.666 9.013 ( 8.372 -1.216 1.325) 8.563 9.812 ( 4.753 3.142 0.012) 5.698 10.003 ( 1.438 -0.253 -0.226) 1.477 10.151 ( -1.992 0.735 1.929) 2.869 10.331 ( 0.380 -4.548 2.419) 5.165 11.175 ( 5.780 -0.159 -1.974) 6.110 11.391 ( -2.807 3.386 0.224) 4.404 11.528 ( 0.097 -12.773 7.369) 14.746 11.825 ( -2.714 -2.699 -2.220) 4.425 12.859 ( -3.039 -0.597 2.868) 4.221 12.888 ( -1.208 0.347 1.718) 2.129 13.001 ( 0.113 3.525 -1.760) 3.942 13.337 ( 0.379 -7.116 -3.449) 7.917 13.477 ( -8.003 13.830 0.324) 15.982 13.808 ( -2.946 11.526 -3.884) 12.514 13.929 ( -1.062 1.838 0.816) 2.274 14.521 ( -6.584 -1.828 9.074) 11.359 14.656 ( 12.517 -0.226 -19.672) 23.318 14.871 ( -2.504 -4.500 -1.686) 5.419 15.395 ( -0.824 3.670 4.795) 6.094 15.678 ( 0.724 -0.947 4.616) 4.768 21.146 ( 0.354 4.180 -0.820) 4.274 21.578 ( -0.928 4.835 -1.177) 5.062 21.765 ( -3.793 2.661 3.862) 6.031 22.295 ( -8.936 -2.310 -6.950) 11.554 22.792 ( -1.047 0.679 3.823) 4.022 22.813 ( -6.666 0.421 1.962) 6.961 23.330 ( 1.854 0.307 -2.013) 2.754 23.436 ( 10.255 -1.160 -3.901) 11.033 23.694 ( 12.161 3.631 2.197) 12.880 24.127 ( 3.398 -0.172 -6.077) 6.964 24.230 ( -0.140 0.600 7.610) 7.635 24.456 ( -1.720 -1.160 0.076) 2.076 24.785 ( 4.541 0.219 -2.684) 5.279 24.900 ( 2.255 2.422 -2.231) 3.990 25.510 ( -1.936 -3.569 -0.209) 4.065 25.618 ( 10.091 -16.371 1.873) 19.323 ======================= Grid point 14 (10/136) ======================= q-point: ( 0.27 0.17 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 198 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.035 ( 7.269 8.226 3.920) 11.657 1.421 ( 16.890 7.587 6.139) 19.507 1.804 ( -5.338 -0.072 -11.809) 12.960 2.256 ( 4.367 -5.195 -3.712) 7.735 2.335 ( 12.940 -4.975 3.830) 14.383 2.437 ( 2.786 -6.175 -1.014) 6.850 2.629 ( -2.875 1.717 -9.751) 10.310 2.862 ( 2.782 -0.424 -2.673) 3.881 2.962 ( 2.409 -1.272 -4.120) 4.939 3.159 ( -4.152 5.863 0.381) 7.195 3.280 ( 4.904 4.318 -2.372) 6.951 3.488 ( 10.032 -3.027 1.431) 10.576 3.570 ( 4.910 0.894 3.641) 6.177 3.667 ( 18.211 2.458 -4.035) 18.814 3.723 ( 10.419 4.299 -0.723) 11.294 3.857 ( 10.761 -0.670 5.141) 11.945 3.916 ( 8.664 2.622 0.032) 9.052 4.313 ( -4.795 4.264 -3.450) 7.285 4.463 ( 5.439 -5.163 6.757) 10.095 4.585 ( 9.411 0.855 -1.420) 9.556 4.696 ( 4.869 3.015 -0.170) 5.729 4.845 ( 0.407 -0.035 0.614) 0.737 5.045 ( 6.517 -2.277 -6.526) 9.500 5.145 ( 0.718 1.918 -0.221) 2.060 5.341 ( 1.020 0.087 -2.129) 2.362 5.587 ( -9.520 -1.023 0.907) 9.618 5.652 ( -17.675 -0.809 1.049) 17.725 5.859 ( -3.887 -2.761 -0.097) 4.769 5.977 ( 4.282 -0.761 6.002) 7.412 6.080 ( 3.235 -5.098 3.690) 7.076 6.381 ( -2.403 5.750 4.656) 7.779 6.641 ( -4.818 -1.291 2.844) 5.742 7.026 ( -6.128 3.996 -7.493) 10.472 7.207 ( 1.384 3.006 -3.575) 4.872 7.470 ( 1.765 -2.898 1.401) 3.671 7.692 ( 0.048 -0.387 -5.572) 5.585 7.817 ( -6.301 -0.189 -5.822) 8.581 8.350 ( -2.158 -7.067 11.834) 13.951 8.642 ( 2.121 -0.211 -1.984) 2.912 8.730 ( -12.198 -3.120 4.571) 13.395 8.986 ( 13.019 -0.947 -0.845) 13.081 9.187 ( 9.930 -1.472 -0.109) 10.039 9.888 ( 3.413 2.104 2.052) 4.505 9.989 ( -2.156 4.359 0.653) 4.907 10.173 ( 0.545 -0.743 2.658) 2.813 10.336 ( -1.615 -3.255 0.703) 3.701 11.268 ( 6.811 -0.514 -3.524) 7.686 11.357 ( -0.067 3.819 -0.350) 3.836 11.560 ( -2.474 -9.400 4.685) 10.790 11.766 ( -1.239 -2.182 -3.094) 3.983 12.829 ( -2.215 0.866 1.549) 2.838 12.873 ( -3.115 1.102 1.557) 3.653 12.990 ( 0.467 3.609 0.014) 3.639 13.280 ( -3.418 -1.869 -2.977) 4.903 13.411 ( -0.861 4.212 -1.066) 4.429 13.726 ( -1.230 5.726 -5.033) 7.722 13.921 ( -1.050 2.811 1.298) 3.270 14.488 ( -8.100 -1.832 10.196) 13.150 14.675 ( 6.743 -0.215 -10.423) 12.415 14.814 ( 1.013 -4.116 -6.799) 8.012 15.429 ( -0.539 3.503 4.451) 5.690 15.736 ( -0.265 -1.889 5.570) 5.888 21.147 ( 0.637 4.150 -0.750) 4.265 21.575 ( 0.732 3.054 -0.029) 3.140 21.758 ( -1.857 -2.667 3.445) 4.736 22.077 ( -8.678 -2.338 -5.854) 10.725 22.719 ( -5.461 0.869 0.416) 5.546 22.805 ( -1.710 -0.319 2.839) 3.329 23.341 ( 3.700 1.631 -3.038) 5.058 23.583 ( 9.842 -1.292 -2.876) 10.335 23.928 ( 10.288 -0.139 4.456) 11.212 24.095 ( 0.071 -1.129 -6.078) 6.182 24.335 ( 2.791 0.605 6.710) 7.293 24.412 ( -2.538 1.265 0.841) 2.958 24.849 ( 5.469 1.854 -2.448) 6.272 24.917 ( 2.176 4.120 -2.251) 5.174 25.480 ( -1.190 -2.746 0.035) 2.993 25.746 ( 4.481 -10.107 0.486) 11.066 ======================= Grid point 15 (11/136) ======================= q-point: ( 0.36 0.17 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 198 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.169 ( 5.066 6.535 1.794) 8.461 1.550 ( -5.504 5.237 -11.922) 14.137 1.741 ( 10.392 3.305 1.039) 10.954 2.298 ( 4.690 -4.056 1.011) 6.283 2.452 ( 1.704 -7.445 -3.239) 8.296 2.536 ( 0.489 0.324 -2.813) 2.874 2.620 ( 11.034 -4.514 7.107) 13.879 2.854 ( -2.992 -0.272 -1.891) 3.550 2.939 ( 1.537 0.210 -4.259) 4.533 3.075 ( -3.635 5.337 2.276) 6.847 3.238 ( -2.800 4.718 -3.357) 6.432 3.473 ( -3.505 -4.104 -4.629) 7.110 3.552 ( -2.033 -1.143 -2.677) 3.551 3.737 ( 0.042 0.423 -7.403) 7.416 3.884 ( 2.103 -3.324 6.591) 7.675 3.940 ( -0.089 5.894 -6.437) 8.728 4.301 ( 7.144 -4.458 -1.964) 8.647 4.477 ( 21.451 2.876 7.742) 22.986 4.566 ( 3.514 -2.644 8.637) 9.692 4.747 ( -0.783 1.188 4.238) 4.470 4.771 ( 12.483 3.215 -1.031) 12.932 4.884 ( 8.015 5.271 -1.421) 9.698 5.061 ( -2.839 4.946 -4.332) 7.162 5.140 ( 3.980 1.794 -4.732) 6.438 5.322 ( -1.239 -1.756 -0.916) 2.336 5.423 ( -8.271 -0.184 -2.138) 8.545 5.440 ( -1.443 1.347 2.399) 3.107 5.857 ( 2.813 -3.798 0.857) 4.804 6.104 ( -1.323 -3.429 4.532) 5.835 6.191 ( 6.749 -2.613 2.873) 7.786 6.413 ( -2.332 5.589 8.154) 10.157 6.561 ( -6.159 -1.169 -1.247) 6.392 6.827 ( -7.723 4.715 -8.225) 12.228 7.238 ( 5.331 0.488 -3.854) 6.596 7.549 ( 3.567 -6.570 1.186) 7.570 7.591 ( 0.765 -3.211 -6.155) 6.984 7.825 ( 9.176 4.969 0.045) 10.435 8.365 ( -7.339 -10.028 1.554) 12.523 8.544 ( -11.530 -0.172 3.672) 12.102 8.617 ( -6.399 0.056 6.103) 8.843 9.167 ( 8.408 -1.008 -0.517) 8.484 9.328 ( 6.734 -1.754 -1.043) 7.036 9.969 ( 0.931 4.234 2.812) 5.167 9.985 ( 1.786 1.779 3.695) 4.473 10.191 ( -0.823 -0.950 1.544) 1.991 10.291 ( -2.932 -0.713 -1.740) 3.483 11.288 ( 0.733 2.625 -3.269) 4.256 11.419 ( 6.925 1.033 -2.513) 7.439 11.554 ( -2.802 -5.681 4.120) 7.556 11.719 ( -1.069 -1.689 -2.539) 3.232 12.821 ( -0.721 -1.268 0.458) 1.529 12.831 ( -2.282 3.248 2.070) 4.477 13.005 ( 0.380 1.295 0.199) 1.365 13.171 ( -4.992 2.574 -3.114) 6.422 13.400 ( 0.370 1.615 -0.841) 1.858 13.672 ( -0.273 -0.070 -3.556) 3.567 13.918 ( -0.440 3.841 0.707) 3.930 14.447 ( -6.613 -2.134 7.970) 10.574 14.684 ( 2.431 -0.150 -4.012) 4.693 14.778 ( 2.931 -3.638 -7.510) 8.845 15.460 ( -0.224 3.370 3.113) 4.593 15.769 ( -1.314 -2.052 4.104) 4.773 21.153 ( 0.684 4.138 -0.449) 4.218 21.593 ( 1.151 1.721 0.182) 2.079 21.759 ( -1.268 -5.012 2.020) 5.551 21.895 ( -6.548 -1.742 -3.884) 7.810 22.640 ( -3.658 0.883 -0.101) 3.764 22.783 ( -2.333 -1.110 0.450) 2.623 23.415 ( 6.332 2.955 -0.045) 6.988 23.713 ( 7.345 -0.604 -0.783) 7.411 24.020 ( -2.161 -0.958 -5.045) 5.571 24.080 ( 1.564 -3.441 2.055) 4.303 24.366 ( 1.686 -0.045 0.427) 1.740 24.486 ( 3.046 -0.723 6.346) 7.077 24.912 ( 3.396 5.167 -1.338) 6.327 24.931 ( 2.648 5.325 -2.848) 6.594 25.473 ( 0.125 -2.363 0.275) 2.382 25.800 ( 1.766 -7.144 0.163) 7.360 ======================= Grid point 16 (12/136) ======================= q-point: ( 0.45 0.17 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 198 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.247 ( 2.385 6.735 1.507) 7.302 1.359 ( -3.825 7.391 -6.857) 10.783 1.858 ( 3.054 0.010 -0.458) 3.088 2.407 ( 0.089 3.289 1.195) 3.500 2.443 ( 3.930 -11.037 0.382) 11.722 2.578 ( 3.909 -1.433 0.931) 4.266 2.736 ( -5.200 2.115 -2.125) 6.002 2.835 ( 5.831 -1.495 1.863) 6.301 2.950 ( 1.891 -6.095 -1.004) 6.460 3.101 ( -0.434 4.471 8.063) 9.230 3.165 ( -0.403 4.185 -4.549) 6.194 3.349 ( -3.560 -2.128 -1.612) 4.450 3.432 ( -5.526 -1.312 -8.346) 10.095 3.687 ( 0.227 2.218 -1.274) 2.568 3.919 ( 2.867 -3.097 -0.916) 4.319 3.959 ( 1.320 -5.539 0.194) 5.698 4.199 ( -6.767 4.348 0.536) 8.061 4.596 ( 0.260 3.781 1.355) 4.025 4.641 ( -7.420 7.971 -2.721) 11.225 4.848 ( 1.665 5.461 1.448) 5.890 4.968 ( 7.308 -0.728 3.753) 8.247 5.020 ( 5.164 1.341 -1.043) 5.436 5.052 ( 6.678 -5.022 6.256) 10.438 5.278 ( -4.183 -2.166 -5.977) 7.610 5.283 ( 3.061 1.130 -0.084) 3.264 5.373 ( 12.126 -1.126 -2.723) 12.479 5.496 ( 2.750 1.369 3.234) 4.460 5.921 ( 2.250 0.171 1.134) 2.526 6.055 ( -6.651 -6.538 3.085) 9.824 6.290 ( 2.372 -1.187 -0.079) 2.653 6.399 ( -7.078 5.302 -2.559) 9.207 6.451 ( -0.989 8.901 4.962) 10.238 6.648 ( -3.580 2.358 -5.669) 7.108 7.277 ( 1.682 -1.339 -1.114) 2.421 7.509 ( -0.440 -10.578 -1.411) 10.681 7.787 ( 17.179 -3.545 -1.019) 17.571 8.045 ( 7.211 1.819 2.466) 7.835 8.136 ( -10.501 -0.838 0.303) 10.539 8.362 ( -12.321 0.284 -2.698) 12.617 8.599 ( -2.740 -5.817 5.538) 8.486 9.259 ( 2.768 -0.436 -0.203) 2.809 9.396 ( 2.309 -1.937 -0.717) 3.098 10.002 ( 0.431 0.989 2.314) 2.553 10.073 ( 2.798 2.868 2.711) 4.838 10.186 ( -0.578 -1.266 0.526) 1.488 10.213 ( -2.800 2.077 -2.612) 4.356 11.268 ( 0.017 3.431 -1.446) 3.723 11.495 ( 4.374 -0.355 -2.950) 5.288 11.548 ( -2.026 -1.974 3.235) 4.297 11.683 ( -0.825 -1.712 -0.932) 2.116 12.797 ( -0.920 -1.202 0.100) 1.517 12.859 ( 1.262 -0.312 2.254) 2.602 12.979 ( -1.987 3.620 -2.304) 4.729 13.094 ( -1.385 3.940 -0.313) 4.188 13.401 ( 0.267 0.840 -0.299) 0.931 13.645 ( -0.071 -3.017 -1.245) 3.264 13.918 ( -0.076 4.425 0.175) 4.429 14.421 ( -2.514 -2.352 2.990) 4.560 14.684 ( 0.436 -0.164 -0.910) 1.022 14.765 ( 1.486 -3.265 -3.144) 4.770 15.479 ( -0.026 3.263 1.121) 3.450 15.776 ( -0.765 -1.960 1.456) 2.559 21.160 ( 0.305 4.145 -0.136) 4.158 21.616 ( 0.980 0.833 0.311) 1.323 21.744 ( -1.523 -4.371 -0.445) 4.651 21.796 ( -1.887 -2.561 -0.525) 3.224 22.596 ( -1.297 0.720 -0.072) 1.485 22.752 ( -1.023 -1.415 -0.227) 1.761 23.522 ( 3.929 3.546 0.988) 5.384 23.824 ( 5.321 -0.371 1.411) 5.518 23.926 ( -3.796 -0.666 -3.472) 5.187 24.052 ( -2.501 -1.553 -0.688) 3.023 24.428 ( 2.226 -4.349 1.281) 5.050 24.570 ( 1.327 -3.560 2.457) 4.525 24.926 ( 0.583 7.507 -1.027) 7.599 24.959 ( 1.703 7.181 -0.920) 7.437 25.482 ( 0.326 -2.261 0.179) 2.291 25.818 ( 0.408 -5.879 0.035) 5.893 ======================= Grid point 22 (13/136) ======================= q-point: ( 0.00 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 136 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.877 ( 0.000 20.998 0.000) 20.998 0.949 ( 0.000 23.085 0.000) 23.085 1.423 ( 0.000 5.469 0.000) 5.469 1.786 ( 0.000 -17.134 0.000) 17.134 2.017 ( 0.000 9.258 0.000) 9.258 2.296 ( 0.000 2.849 0.000) 2.849 2.513 ( 0.000 -2.616 0.000) 2.616 2.614 ( 0.000 -0.759 0.000) 0.759 2.683 ( 0.000 7.651 0.000) 7.651 2.898 ( 0.000 5.467 0.000) 5.467 3.152 ( 0.000 1.427 0.000) 1.427 3.208 ( 0.000 0.717 0.000) 0.717 3.329 ( 0.000 4.432 0.000) 4.432 3.401 ( 0.000 -2.977 0.000) 2.977 3.633 ( 0.000 -0.461 0.000) 0.461 3.707 ( 0.000 2.713 0.000) 2.713 3.816 ( 0.000 -6.205 0.000) 6.205 3.930 ( 0.000 -6.031 0.000) 6.031 4.508 ( 0.000 -4.939 0.000) 4.939 4.528 ( 0.000 0.536 0.000) 0.536 4.741 ( 0.000 0.700 0.000) 0.700 4.872 ( 0.000 1.565 0.000) 1.565 4.921 ( 0.000 -2.477 0.000) 2.477 5.056 ( 0.000 -8.575 0.000) 8.575 5.525 ( 0.000 0.320 0.000) 0.320 5.544 ( 0.000 1.093 0.000) 1.093 5.706 ( 0.000 -0.909 0.000) 0.909 5.726 ( 0.000 -1.437 0.000) 1.437 6.239 ( 0.000 1.624 0.000) 1.624 6.253 ( 0.000 -1.406 0.000) 1.406 6.780 ( 0.000 6.369 0.000) 6.369 6.938 ( 0.000 4.164 0.000) 4.164 6.950 ( 0.000 -0.064 0.000) 0.064 7.223 ( 0.000 -10.732 0.000) 10.732 7.634 ( 0.000 8.808 0.000) 8.808 7.933 ( 0.000 -2.145 0.000) 2.145 8.160 ( 0.000 2.634 0.000) 2.634 8.318 ( 0.000 -4.441 0.000) 4.441 8.345 ( 0.000 -2.229 0.000) 2.229 8.384 ( 0.000 -1.456 0.000) 1.456 8.595 ( 0.000 1.402 0.000) 1.402 8.632 ( 0.000 -0.541 0.000) 0.541 9.801 ( 0.000 8.117 0.000) 8.117 10.039 ( 0.000 5.764 0.000) 5.764 10.105 ( 0.000 -6.172 0.000) 6.172 10.240 ( 0.000 -3.784 0.000) 3.784 11.145 ( 0.000 1.374 0.000) 1.374 11.196 ( 0.000 -1.304 0.000) 1.304 11.543 ( 0.000 5.785 0.000) 5.785 11.821 ( 0.000 -6.956 0.000) 6.956 12.875 ( 0.000 1.088 0.000) 1.088 12.884 ( 0.000 -0.571 0.000) 0.571 12.991 ( 0.000 0.283 0.000) 0.283 13.121 ( 0.000 -8.596 0.000) 8.596 13.986 ( 0.000 2.898 0.000) 2.898 14.003 ( 0.000 4.635 0.000) 4.635 14.334 ( 0.000 -0.855 0.000) 0.855 14.377 ( 0.000 -1.478 0.000) 1.478 14.680 ( 0.000 4.467 0.000) 4.467 14.856 ( 0.000 -4.068 0.000) 4.068 15.437 ( 0.000 5.364 0.000) 5.364 15.648 ( 0.000 -4.636 0.000) 4.636 21.265 ( 0.000 6.948 0.000) 6.948 21.550 ( 0.000 -6.283 0.000) 6.283 22.424 ( 0.000 2.520 0.000) 2.520 22.535 ( 0.000 -2.624 0.000) 2.624 23.005 ( 0.000 2.154 0.000) 2.154 23.083 ( 0.000 -1.358 0.000) 1.358 23.298 ( 0.000 5.469 0.000) 5.469 23.363 ( 0.000 1.047 0.000) 1.047 23.436 ( 0.000 -2.655 0.000) 2.655 23.550 ( 0.000 -6.243 0.000) 6.243 24.201 ( 0.000 3.009 0.000) 3.009 24.260 ( 0.000 -0.378 0.000) 0.378 24.707 ( 0.000 -0.547 0.000) 0.547 24.727 ( 0.000 -0.855 0.000) 0.855 25.106 ( 0.000 8.402 0.000) 8.402 25.443 ( 0.000 -7.553 0.000) 7.553 ======================= Grid point 23 (14/136) ======================= q-point: ( 0.09 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.002 ( 5.323 20.404 1.638) 21.150 1.041 ( 16.562 17.493 -4.098) 24.435 1.575 ( 11.896 -0.191 5.080) 12.937 1.797 ( 2.832 -16.448 -2.008) 16.811 2.210 ( 15.481 6.560 2.586) 17.012 2.387 ( 2.443 4.844 -5.505) 7.729 2.485 ( 15.576 -1.592 2.505) 15.856 2.533 ( 0.259 5.120 -14.025) 14.932 2.837 ( 15.587 4.486 -0.645) 16.232 2.966 ( 4.674 6.962 -4.323) 9.434 3.118 ( 0.676 2.392 -6.950) 7.381 3.193 ( -0.837 2.678 -0.025) 2.806 3.341 ( 2.930 -7.272 4.127) 8.860 3.480 ( 3.213 5.701 5.332) 8.441 3.652 ( -1.338 4.273 4.263) 6.182 3.771 ( 6.555 -9.448 0.657) 11.518 3.813 ( -1.549 -2.058 4.197) 4.924 3.918 ( 1.080 -4.620 -3.737) 6.039 4.481 ( -0.238 -0.946 -2.053) 2.273 4.541 ( 0.781 -1.218 -0.440) 1.512 4.738 ( 0.579 4.898 -0.319) 4.942 4.849 ( -0.642 2.563 -1.907) 3.258 4.952 ( 2.744 -4.014 -3.265) 5.856 5.141 ( 4.129 -11.454 8.488) 14.842 5.405 ( -10.952 3.989 2.435) 11.907 5.548 ( -1.511 -1.816 -4.999) 5.529 5.606 ( 2.307 4.615 -8.010) 9.528 5.772 ( 1.256 -4.963 3.121) 5.996 6.164 ( -9.214 0.310 1.673) 9.370 6.214 ( -7.141 -3.990 3.851) 9.041 6.730 ( -4.288 7.363 -0.430) 8.531 6.881 ( -5.873 3.844 1.640) 7.208 7.108 ( 6.763 -2.525 2.249) 7.561 7.280 ( 4.771 -6.988 1.622) 8.616 7.562 ( -7.109 7.419 0.173) 10.276 7.891 ( -5.088 -6.219 -1.297) 8.139 8.059 ( -5.274 4.278 -3.004) 7.426 8.256 ( -8.260 -3.188 6.477) 10.970 8.413 ( 9.095 -0.865 -2.453) 9.460 8.510 ( 10.035 -5.183 -0.184) 11.296 8.658 ( 7.009 1.952 -0.467) 7.291 8.762 ( 9.780 -2.886 3.000) 10.629 9.834 ( 4.022 6.322 -0.925) 7.550 9.973 ( -1.142 1.202 -3.424) 3.804 10.169 ( 1.149 -1.399 3.488) 3.930 10.234 ( -0.782 -2.818 1.191) 3.158 11.147 ( 1.423 1.831 -0.624) 2.401 11.255 ( 2.747 -4.145 4.455) 6.676 11.522 ( -2.177 5.613 -0.022) 6.020 11.791 ( -2.225 -6.703 -1.540) 7.228 12.858 ( -2.465 -0.101 2.629) 3.605 12.886 ( -0.770 -0.911 0.019) 1.193 13.011 ( 2.411 1.118 0.104) 2.660 13.150 ( 4.525 -7.492 -2.985) 9.248 13.926 ( -7.328 5.703 -0.963) 9.335 13.987 ( -2.263 2.286 1.433) 3.521 14.185 ( -13.054 8.659 5.272) 16.528 14.436 ( -0.023 -5.487 3.389) 6.449 14.674 ( 6.998 3.596 -13.239) 15.401 14.835 ( -0.401 -4.133 -3.365) 5.344 15.449 ( -0.375 4.793 2.919) 5.624 15.629 ( -1.430 -3.210 0.699) 3.583 21.263 ( -0.302 6.966 0.146) 6.974 21.548 ( -0.699 -6.160 1.005) 6.280 22.207 ( -15.756 10.336 -7.464) 20.268 22.444 ( -7.257 -3.515 -5.567) 9.798 22.860 ( -8.333 2.733 0.413) 8.780 22.909 ( -7.838 -0.101 2.430) 8.207 23.294 ( 1.091 1.705 1.731) 2.663 23.354 ( 1.227 -0.194 0.502) 1.340 23.574 ( 15.298 6.119 -2.091) 16.609 23.974 ( 20.480 -11.628 -7.961) 24.860 24.213 ( -0.850 3.090 4.757) 5.736 24.328 ( 3.714 -3.927 6.416) 8.390 24.741 ( 3.640 -0.209 -2.400) 4.365 24.792 ( 8.612 -3.866 0.563) 9.457 25.160 ( 3.812 4.115 5.588) 7.918 25.436 ( -1.227 -6.976 0.796) 7.128 ======================= Grid point 24 (15/136) ======================= q-point: ( 0.18 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.131 ( 6.607 16.290 2.079) 17.701 1.304 ( 16.789 12.951 -0.911) 21.223 1.806 ( 2.675 -9.315 2.825) 10.094 1.860 ( 12.241 -10.556 -0.764) 16.182 2.271 ( 0.670 1.118 -6.055) 6.194 2.351 ( -0.799 -2.556 -7.675) 8.129 2.724 ( 15.295 3.095 -7.407) 17.273 2.784 ( 13.126 0.799 0.211) 13.152 2.941 ( 2.484 5.264 -5.687) 8.137 3.080 ( 9.132 -0.117 -4.652) 10.249 3.189 ( 22.950 5.665 2.131) 23.735 3.294 ( 11.360 11.533 -0.025) 16.188 3.470 ( 4.173 -2.055 6.137) 7.700 3.550 ( -0.635 1.367 0.508) 1.591 3.654 ( 3.460 2.576 4.263) 6.064 3.779 ( -2.534 -0.834 -0.575) 2.729 3.902 ( 0.548 -0.806 -1.038) 1.424 4.047 ( 17.027 -10.775 3.755) 20.497 4.490 ( 2.810 0.790 0.449) 2.953 4.528 ( -1.266 1.450 -2.598) 3.233 4.763 ( 2.880 7.646 -2.916) 8.675 4.822 ( 0.919 2.642 -1.719) 3.283 4.947 ( 3.070 -5.069 -7.127) 9.268 5.223 ( -3.111 -0.260 1.637) 3.525 5.311 ( -2.311 -6.769 1.920) 7.406 5.467 ( 1.311 -0.985 0.007) 1.639 5.667 ( 4.670 -1.493 1.269) 5.064 5.823 ( 1.945 -8.445 1.089) 8.734 5.988 ( -12.934 2.632 5.822) 14.426 6.105 ( -10.802 -2.522 5.208) 12.254 6.600 ( -7.682 7.372 -3.633) 11.250 6.766 ( -8.491 2.473 0.773) 8.877 7.168 ( 1.462 1.417 -1.930) 2.806 7.329 ( -1.839 0.826 -0.487) 2.074 7.462 ( -2.180 2.772 -0.646) 3.586 7.752 ( -5.794 -5.445 -5.223) 9.513 7.951 ( -5.879 1.653 -1.175) 6.219 8.191 ( -6.500 -6.534 6.896) 11.510 8.563 ( 8.148 0.233 -0.393) 8.161 8.658 ( 4.292 -5.396 2.733) 7.417 8.802 ( 9.551 2.301 -0.036) 9.824 8.954 ( 9.461 -4.074 2.001) 10.494 9.892 ( 3.513 4.400 -1.047) 5.727 9.994 ( 4.410 -0.742 1.459) 4.704 10.173 ( -2.381 1.402 1.217) 3.019 10.253 ( -0.203 -3.122 2.832) 4.220 11.190 ( 4.804 1.748 -1.455) 5.315 11.341 ( 2.294 -6.619 3.549) 7.853 11.479 ( -2.344 5.394 -0.171) 5.884 11.732 ( -1.913 -6.203 -2.513) 6.960 12.837 ( -2.301 -0.806 1.424) 2.824 12.872 ( -1.449 -1.572 1.477) 2.598 13.060 ( 2.768 2.584 -0.362) 3.804 13.199 ( 4.271 -5.621 -3.323) 7.802 13.742 ( -12.118 10.400 0.655) 15.982 13.927 ( -4.854 0.115 -2.594) 5.505 14.063 ( -6.049 11.366 4.375) 13.598 14.440 ( -6.637 -6.566 9.701) 13.463 14.671 ( 8.335 1.827 -14.505) 16.829 14.786 ( 0.925 -3.808 -7.144) 8.149 15.477 ( -0.580 4.453 4.373) 6.268 15.639 ( -0.059 -3.028 3.761) 4.829 21.260 ( -0.280 7.017 0.307) 7.029 21.548 ( -0.775 -5.805 1.799) 6.127 21.924 ( -9.660 10.269 -3.925) 14.635 22.225 ( -9.863 -4.817 -6.477) 12.744 22.808 ( -2.582 0.863 3.526) 4.455 22.821 ( -5.686 0.281 2.127) 6.077 23.341 ( 3.196 0.894 -2.197) 3.980 23.403 ( 7.523 -1.991 -2.740) 8.250 23.801 ( 11.492 6.967 -1.158) 13.489 24.077 ( 4.732 -4.888 -7.302) 9.980 24.273 ( 1.047 3.384 7.071) 7.909 24.416 ( 0.301 -2.911 3.146) 4.297 24.805 ( 6.707 2.075 -2.475) 7.444 24.933 ( 7.262 -0.446 -2.510) 7.696 25.339 ( 8.142 -8.202 6.522) 13.271 25.421 ( -1.454 -5.581 1.195) 5.890 ======================= Grid point 25 (16/136) ======================= q-point: ( 0.27 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.254 ( 5.477 13.228 1.700) 14.418 1.593 ( 16.197 7.337 -0.086) 17.782 1.777 ( -1.748 -2.081 -5.459) 6.099 2.091 ( 8.828 -10.380 -2.131) 13.792 2.254 ( 6.223 -2.834 -1.384) 6.976 2.300 ( -0.451 -6.243 0.962) 6.333 2.692 ( -1.893 4.462 -7.568) 8.987 2.848 ( 2.310 -1.546 -4.283) 5.106 2.990 ( 3.879 3.955 -3.662) 6.641 3.218 ( -0.732 -1.987 1.352) 2.512 3.382 ( 2.523 3.708 0.712) 4.541 3.410 ( 0.443 -1.005 -5.974) 6.074 3.598 ( -3.223 2.557 1.601) 4.414 3.712 ( 12.754 0.785 -0.793) 12.803 3.816 ( 6.458 2.343 3.462) 7.693 3.904 ( 24.626 6.937 2.974) 25.757 3.941 ( 9.342 0.510 -1.192) 9.431 4.319 ( 7.603 -9.033 4.566) 12.659 4.424 ( -3.593 6.230 -2.356) 7.568 4.615 ( 8.037 0.078 0.799) 8.077 4.735 ( 1.698 2.638 -6.147) 6.901 4.888 ( 7.708 3.100 -1.864) 8.515 4.984 ( 10.158 -2.360 -6.072) 12.068 5.190 ( -0.103 1.036 -1.390) 1.737 5.310 ( 1.531 -2.028 1.694) 3.054 5.523 ( -0.313 -4.311 3.278) 5.425 5.656 ( -10.625 1.029 1.027) 10.725 5.809 ( -8.713 -6.381 1.070) 10.853 5.934 ( 2.638 0.665 6.964) 7.477 6.016 ( -1.350 -0.930 5.560) 5.796 6.488 ( -2.692 4.548 1.293) 5.441 6.620 ( -6.910 -1.366 -0.889) 7.099 7.126 ( -3.673 5.782 -4.679) 8.296 7.265 ( -1.058 2.554 -4.210) 5.037 7.443 ( 0.131 -0.068 -1.069) 1.079 7.624 ( -2.839 -5.502 -5.910) 8.560 7.850 ( -2.482 3.578 -1.171) 4.509 8.164 ( -4.218 -10.730 5.754) 12.885 8.644 ( -0.281 0.090 2.675) 2.692 8.672 ( -7.150 -2.279 5.399) 9.245 8.987 ( 11.595 1.525 -0.509) 11.706 9.131 ( 9.327 -3.978 0.758) 10.168 9.958 ( 3.787 4.450 1.806) 6.116 10.069 ( -0.115 2.571 2.224) 3.402 10.152 ( -0.441 -0.645 1.549) 1.735 10.263 ( -1.242 -3.793 1.996) 4.463 11.275 ( 7.239 1.209 -3.416) 8.096 11.403 ( 2.297 -5.933 1.369) 6.507 11.449 ( -0.971 5.230 0.148) 5.321 11.685 ( -0.690 -5.521 -2.484) 6.094 12.812 ( -1.475 -0.662 0.389) 1.662 12.860 ( -1.653 -2.080 1.236) 2.930 13.090 ( 0.905 4.575 0.052) 4.664 13.222 ( 1.599 -3.143 -2.638) 4.404 13.565 ( -8.286 9.372 0.043) 12.510 13.788 ( -6.698 -0.312 -3.679) 7.649 14.035 ( -2.486 8.768 3.409) 9.730 14.405 ( -8.417 -6.885 10.449) 15.080 14.676 ( 6.229 0.491 -10.307) 12.053 14.739 ( 2.687 -2.942 -8.555) 9.437 15.511 ( -0.476 4.566 4.333) 6.313 15.682 ( -0.346 -3.549 4.864) 6.031 21.261 ( 0.003 7.126 0.460) 7.141 21.559 ( -0.130 -5.610 2.141) 6.006 21.775 ( -5.179 5.126 -1.917) 7.534 22.007 ( -8.500 -4.717 -5.189) 11.020 22.742 ( -4.889 1.411 0.384) 5.103 22.793 ( -2.775 -0.890 2.021) 3.547 23.389 ( 5.603 3.177 -2.140) 6.787 23.537 ( 9.484 -3.342 -1.568) 10.178 23.944 ( 6.069 1.841 -0.032) 6.342 24.056 ( 0.524 -2.758 -5.378) 6.067 24.363 ( 1.769 2.007 4.188) 4.970 24.426 ( -1.492 -0.177 3.043) 3.394 24.920 ( 8.424 5.294 -1.507) 10.063 25.006 ( 4.497 4.086 -2.357) 6.517 25.411 ( -0.597 -3.832 0.934) 3.989 25.516 ( 6.014 -11.555 3.492) 13.486 ======================= Grid point 26 (17/136) ======================= q-point: ( 0.36 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.353 ( 4.073 11.724 1.949) 12.563 1.660 ( -2.868 4.070 -8.148) 9.549 1.799 ( 7.614 2.310 -3.355) 8.635 2.124 ( 3.407 -12.291 -3.589) 13.249 2.350 ( 5.664 -1.217 4.775) 7.507 2.498 ( 10.477 -6.169 8.941) 15.092 2.595 ( -1.627 4.671 -4.382) 6.608 2.840 ( 0.911 -3.541 -3.846) 5.307 2.979 ( -1.739 4.655 -4.194) 6.502 3.133 ( -5.514 0.425 0.684) 5.572 3.360 ( 2.534 0.009 -9.421) 9.756 3.393 ( -2.271 2.337 0.194) 3.265 3.525 ( -4.306 -0.136 -0.016) 4.309 3.725 ( -1.863 -2.511 -3.807) 4.926 3.862 ( -2.405 1.644 1.741) 3.393 3.995 ( -3.317 -1.190 -6.638) 7.515 4.284 ( 2.981 2.848 0.243) 4.130 4.455 ( 18.529 -3.885 10.114) 21.464 4.579 ( 9.161 2.714 4.360) 10.503 4.711 ( 5.683 -3.544 3.131) 7.394 4.875 ( 13.970 7.076 -2.456) 15.851 4.996 ( 6.153 4.871 -3.428) 8.564 5.113 ( 10.073 0.569 -4.822) 11.182 5.197 ( 3.123 -0.409 -4.225) 5.270 5.327 ( -8.279 3.103 -2.690) 9.241 5.429 ( -6.174 2.686 -1.580) 6.916 5.467 ( -3.974 1.415 3.374) 5.402 5.759 ( 1.144 -6.289 3.265) 7.178 6.050 ( -2.088 -1.919 5.155) 5.883 6.111 ( 7.652 -4.522 4.619) 10.017 6.512 ( 0.293 3.752 6.203) 7.255 6.554 ( -1.976 0.560 2.120) 2.952 6.946 ( -8.301 6.965 -8.488) 13.765 7.224 ( 1.955 -3.398 -6.067) 7.223 7.424 ( -3.987 -3.068 -2.557) 5.643 7.552 ( 2.860 -1.903 -1.667) 3.818 7.903 ( 9.242 3.174 -0.460) 9.783 8.146 ( -1.633 -10.961 0.223) 11.084 8.544 ( -12.827 0.570 5.647) 14.027 8.605 ( -8.791 -1.339 5.271) 10.337 9.161 ( 8.391 0.812 -0.223) 8.433 9.274 ( 6.547 -3.538 -0.282) 7.447 10.034 ( 0.154 3.091 2.479) 3.966 10.070 ( 0.967 5.461 3.262) 6.434 10.160 ( -1.032 -2.063 1.113) 2.562 10.259 ( -0.849 -2.776 0.726) 2.992 11.343 ( 4.842 2.575 -5.353) 7.664 11.446 ( 0.258 -2.373 2.663) 3.577 11.468 ( 4.411 1.792 -1.506) 4.994 11.655 ( -0.829 -4.500 -1.194) 4.729 12.795 ( -0.511 -0.584 -0.529) 0.939 12.839 ( -1.788 -1.746 1.064) 2.716 13.095 ( -0.388 5.696 0.300) 5.717 13.202 ( -1.485 0.227 -1.342) 2.014 13.464 ( -3.187 4.953 -0.784) 5.942 13.651 ( -5.038 -2.370 -2.682) 6.180 14.031 ( -1.105 7.504 1.937) 7.829 14.363 ( -6.306 -6.685 7.281) 11.725 14.681 ( 2.870 -0.059 -4.874) 5.656 14.713 ( 3.239 -2.343 -7.253) 8.282 15.541 ( -0.343 4.570 3.106) 5.536 15.712 ( -0.973 -3.628 3.672) 5.253 21.268 ( 0.240 7.292 0.485) 7.312 21.583 ( 0.575 -5.725 1.887) 6.056 21.691 ( -3.021 1.313 -1.236) 3.518 21.839 ( -5.974 -3.757 -3.424) 7.844 22.667 ( -3.470 1.823 -0.514) 3.953 22.752 ( -2.742 -1.998 -0.083) 3.394 23.495 ( 7.169 4.942 0.599) 8.728 23.681 ( 7.905 -2.876 0.047) 8.412 23.996 ( -1.261 -1.331 -4.437) 4.800 24.010 ( 0.720 -2.876 -0.021) 2.964 24.382 ( -0.478 1.620 0.405) 1.737 24.462 ( 0.550 -1.702 3.990) 4.372 25.044 ( 5.932 7.405 -0.169) 9.489 25.052 ( 3.836 6.226 -2.075) 7.601 25.417 ( 0.363 -2.651 0.659) 2.755 25.617 ( 3.167 -10.593 1.531) 11.162 ======================= Grid point 27 (18/136) ======================= q-point: ( 0.45 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.434 ( 2.605 11.646 3.068) 12.322 1.537 ( -2.635 9.726 -6.187) 11.824 1.840 ( 1.367 -2.065 -1.097) 2.709 2.138 ( 0.815 -16.863 -1.545) 16.953 2.514 ( 1.963 6.121 1.012) 6.507 2.579 ( 6.311 1.549 3.500) 7.381 2.744 ( 6.357 -6.504 3.604) 9.783 2.798 ( -1.355 -4.624 -3.015) 5.683 2.873 ( -4.190 5.523 -0.929) 6.994 3.090 ( -2.352 -1.951 2.313) 3.833 3.306 ( 0.351 -0.116 -5.628) 5.640 3.339 ( -1.375 1.746 -3.277) 3.959 3.422 ( -4.542 5.759 -2.126) 7.636 3.695 ( 0.372 -2.534 0.792) 2.681 3.831 ( -3.434 -3.599 0.384) 4.989 3.843 ( -2.133 -5.175 -4.033) 6.899 4.381 ( 5.285 11.643 4.242) 13.472 4.664 ( 1.196 3.023 1.291) 3.498 4.747 ( -4.501 1.116 0.545) 4.669 4.860 ( 11.940 -8.094 5.479) 15.430 4.960 ( 1.240 4.292 -1.241) 4.637 5.011 ( -1.322 3.998 0.525) 4.243 5.134 ( 2.399 6.064 -3.260) 7.291 5.217 ( -4.619 -3.011 -6.256) 8.339 5.276 ( -1.692 -2.310 0.733) 2.956 5.331 ( 9.467 -3.070 -3.606) 10.586 5.548 ( 2.521 4.344 3.447) 6.091 5.831 ( 3.410 -7.967 0.950) 8.718 6.047 ( -2.688 4.277 3.725) 6.276 6.241 ( 3.483 -3.628 1.125) 5.153 6.533 ( -2.254 7.707 0.351) 8.037 6.601 ( 1.864 4.704 7.539) 9.080 6.739 ( -5.402 7.299 -7.615) 11.850 7.216 ( 2.861 -11.967 -3.869) 12.898 7.302 ( -5.488 -0.745 -0.253) 5.544 7.658 ( 6.579 -9.917 -0.155) 11.901 8.078 ( 1.661 2.255 -0.520) 2.848 8.139 ( 10.973 0.330 -2.573) 11.275 8.368 ( -11.656 0.443 1.045) 11.711 8.478 ( -9.535 -5.614 5.876) 12.529 9.258 ( 2.918 0.583 -0.080) 2.977 9.345 ( 2.184 -3.039 -0.393) 3.763 10.034 ( -0.715 2.358 1.064) 2.684 10.143 ( 1.370 2.124 2.475) 3.538 10.150 ( 0.027 -0.662 0.418) 0.784 10.242 ( -1.001 0.267 -0.552) 1.174 11.349 ( 0.957 4.317 -2.277) 4.974 11.474 ( 0.563 -1.947 0.897) 2.216 11.528 ( 3.279 0.553 -1.428) 3.619 11.632 ( -1.194 -3.301 0.323) 3.525 12.783 ( -0.260 -0.125 -0.478) 0.559 12.827 ( -0.555 -2.077 0.595) 2.231 13.088 ( -0.358 5.919 -0.050) 5.930 13.164 ( -1.311 2.560 -0.208) 2.884 13.429 ( -0.504 2.176 -0.493) 2.288 13.574 ( -1.784 -4.109 -0.929) 4.575 14.032 ( -0.302 6.970 0.608) 7.003 14.336 ( -2.279 -6.396 2.557) 7.255 14.680 ( 0.597 -0.125 -1.229) 1.372 14.706 ( 1.530 -2.187 -2.896) 3.939 15.558 ( -0.121 4.444 1.122) 4.585 15.722 ( -0.551 -3.444 1.319) 3.729 21.276 ( 0.153 7.444 0.224) 7.449 21.611 ( 0.627 -6.985 1.065) 7.094 21.647 ( -0.949 0.573 -0.621) 1.271 21.740 ( -2.574 -2.971 -1.381) 4.167 22.621 ( -1.269 1.812 -0.313) 2.234 22.713 ( -1.114 -2.350 -0.355) 2.625 23.615 ( 4.273 5.650 1.259) 7.195 23.804 ( 5.254 -2.043 1.442) 5.819 23.915 ( -3.193 -0.213 -3.158) 4.496 23.992 ( -1.622 -4.116 -0.574) 4.461 24.385 ( 0.179 0.287 0.340) 0.480 24.495 ( 0.192 -3.879 1.343) 4.110 25.078 ( 1.242 7.341 -0.658) 7.474 25.122 ( 2.428 8.166 -0.094) 8.520 25.430 ( 0.364 -2.179 0.244) 2.223 25.661 ( 0.944 -9.584 0.435) 9.640 ======================= Grid point 33 (19/136) ======================= q-point: ( 0.00 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 68 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.253 ( 0.000 -16.303 0.000) 16.303 1.253 ( 0.000 16.303 0.000) 16.303 1.389 ( 0.000 -21.617 0.000) 21.617 1.389 ( 0.000 21.617 0.000) 21.617 2.257 ( 0.000 -8.195 0.000) 8.195 2.257 ( 0.000 8.195 0.000) 8.195 2.531 ( 0.000 -4.353 0.000) 4.353 2.531 ( 0.000 4.353 0.000) 4.353 2.885 ( 0.000 -7.889 0.000) 7.889 2.885 ( 0.000 7.889 0.000) 7.889 3.195 ( 0.000 -3.509 0.000) 3.509 3.195 ( 0.000 3.509 0.000) 3.509 3.412 ( 0.000 -1.027 0.000) 1.027 3.412 ( 0.000 1.027 0.000) 1.027 3.614 ( 0.000 -3.970 0.000) 3.970 3.614 ( 0.000 3.970 0.000) 3.970 3.817 ( 0.000 -5.253 0.000) 5.253 3.817 ( 0.000 5.253 0.000) 5.253 4.486 ( 0.000 -2.150 0.000) 2.150 4.486 ( 0.000 2.150 0.000) 2.150 4.846 ( 0.000 -6.762 0.000) 6.762 4.846 ( 0.000 6.762 0.000) 6.762 4.917 ( 0.000 -3.702 0.000) 3.702 4.917 ( 0.000 3.702 0.000) 3.702 5.545 ( 0.000 -1.060 0.000) 1.060 5.545 ( 0.000 1.060 0.000) 1.060 5.699 ( 0.000 -0.767 0.000) 0.767 5.699 ( 0.000 0.767 0.000) 0.767 6.246 ( 0.000 -0.249 0.000) 0.249 6.246 ( 0.000 0.249 0.000) 0.249 6.911 ( 0.000 -4.866 0.000) 4.866 6.911 ( 0.000 4.866 0.000) 4.866 7.035 ( 0.000 -7.180 0.000) 7.180 7.035 ( 0.000 7.180 0.000) 7.180 7.814 ( 0.000 -8.725 0.000) 8.725 7.814 ( 0.000 8.725 0.000) 8.725 8.227 ( 0.000 -4.158 0.000) 4.158 8.227 ( 0.000 4.158 0.000) 4.158 8.352 ( 0.000 -1.568 0.000) 1.568 8.352 ( 0.000 1.568 0.000) 1.568 8.618 ( 0.000 -0.944 0.000) 0.944 8.618 ( 0.000 0.944 0.000) 0.944 9.964 ( 0.000 -7.998 0.000) 7.998 9.964 ( 0.000 7.998 0.000) 7.998 10.150 ( 0.000 -5.261 0.000) 5.261 10.150 ( 0.000 5.261 0.000) 5.261 11.171 ( 0.000 -1.261 0.000) 1.261 11.171 ( 0.000 1.261 0.000) 1.261 11.675 ( 0.000 -7.414 0.000) 7.414 11.675 ( 0.000 7.414 0.000) 7.414 12.884 ( 0.000 -0.184 0.000) 0.184 12.884 ( 0.000 0.184 0.000) 0.184 13.012 ( 0.000 -2.605 0.000) 2.605 13.012 ( 0.000 2.605 0.000) 2.605 14.032 ( 0.000 -1.199 0.000) 1.199 14.032 ( 0.000 1.199 0.000) 1.199 14.344 ( 0.000 -1.550 0.000) 1.550 14.344 ( 0.000 1.550 0.000) 1.550 14.770 ( 0.000 -4.573 0.000) 4.573 14.770 ( 0.000 4.573 0.000) 4.573 15.546 ( 0.000 -5.563 0.000) 5.563 15.546 ( 0.000 5.563 0.000) 5.563 21.411 ( 0.000 -7.542 0.000) 7.542 21.411 ( 0.000 7.542 0.000) 7.542 22.479 ( 0.000 -2.950 0.000) 2.950 22.479 ( 0.000 2.950 0.000) 2.950 23.048 ( 0.000 -2.094 0.000) 2.094 23.048 ( 0.000 2.094 0.000) 2.094 23.386 ( 0.000 -2.463 0.000) 2.463 23.386 ( 0.000 2.463 0.000) 2.463 23.425 ( 0.000 -6.049 0.000) 6.049 23.425 ( 0.000 6.049 0.000) 6.049 24.244 ( 0.000 -1.387 0.000) 1.387 24.244 ( 0.000 1.387 0.000) 1.387 24.710 ( 0.000 -0.666 0.000) 0.666 24.710 ( 0.000 0.666 0.000) 0.666 25.278 ( 0.000 -8.900 0.000) 8.900 25.278 ( 0.000 8.900 0.000) 8.900 ======================= Grid point 35 (20/136) ======================= q-point: ( 0.09 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 132 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.320 ( 11.371 -3.343 -10.556) 15.871 1.320 ( 11.371 3.343 -10.556) 15.871 1.476 ( 4.885 -7.953 8.764) 12.804 1.476 ( 4.885 7.953 8.764) 12.804 2.354 ( 3.865 -6.187 1.570) 7.462 2.354 ( 3.865 6.187 1.570) 7.462 2.542 ( 12.740 -4.209 -9.711) 16.563 2.542 ( 12.740 4.209 -9.711) 16.563 2.990 ( 7.796 -6.561 1.826) 10.352 2.990 ( 7.796 6.561 1.826) 10.352 3.156 ( 0.176 -4.735 -3.343) 5.799 3.156 ( 0.176 4.735 -3.343) 5.799 3.450 ( 5.543 -15.477 0.661) 16.453 3.450 ( 5.543 15.477 0.661) 16.453 3.648 ( 1.329 -4.705 2.540) 5.509 3.648 ( 1.329 4.705 2.540) 5.509 3.825 ( 0.039 -4.292 1.438) 4.527 3.825 ( 0.039 4.292 1.438) 4.527 4.490 ( 0.309 -2.262 0.462) 2.330 4.490 ( 0.309 2.262 0.462) 2.330 4.877 ( 4.214 -4.738 -4.607) 7.838 4.877 ( 4.214 4.738 -4.607) 7.838 4.929 ( 0.197 -7.680 4.377) 8.841 4.929 ( 0.197 7.680 4.377) 8.841 5.486 ( -5.641 -4.160 -1.460) 7.159 5.486 ( -5.641 4.160 -1.460) 7.159 5.687 ( 1.276 -3.750 -2.772) 4.834 5.687 ( 1.276 3.750 -2.772) 4.834 6.170 ( -8.542 -0.879 2.085) 8.837 6.170 ( -8.543 0.879 2.085) 8.837 6.869 ( -4.850 -5.245 0.323) 7.151 6.869 ( -4.850 5.245 0.323) 7.151 7.141 ( 7.107 -5.745 2.700) 9.530 7.141 ( 7.107 5.745 2.700) 9.530 7.734 ( -7.888 -9.139 0.151) 12.073 7.734 ( -7.888 9.139 0.151) 12.073 8.159 ( -5.537 -5.565 -1.180) 7.939 8.159 ( -5.537 5.565 -1.180) 7.939 8.436 ( 7.755 -2.559 1.237) 8.260 8.436 ( 7.755 2.559 1.237) 8.260 8.707 ( 8.030 -2.780 0.901) 8.545 8.707 ( 8.030 2.780 0.901) 8.545 9.945 ( 0.714 -4.270 -2.958) 5.244 9.945 ( 0.714 4.270 -2.958) 5.244 10.179 ( 0.676 -2.335 2.980) 3.845 10.179 ( 0.676 2.335 2.980) 3.845 11.191 ( 1.502 -2.653 1.301) 3.315 11.191 ( 1.502 2.653 1.301) 3.315 11.650 ( -2.105 -7.174 -0.894) 7.530 11.650 ( -2.105 7.174 -0.894) 7.530 12.866 ( -2.279 -0.976 1.295) 2.797 12.866 ( -2.279 0.976 1.295) 2.797 13.050 ( 4.448 -3.117 -1.470) 5.627 13.050 ( 4.448 3.117 -1.470) 5.627 13.995 ( -4.270 -1.583 -0.047) 4.554 13.995 ( -4.270 1.583 -0.047) 4.554 14.323 ( -5.392 -6.056 5.531) 9.815 14.323 ( -5.392 6.056 5.531) 9.815 14.753 ( 2.517 -4.237 -7.642) 9.093 14.753 ( 2.517 4.237 -7.642) 9.093 15.546 ( -0.680 -4.857 1.700) 5.190 15.546 ( -0.680 4.857 1.700) 5.190 21.410 ( -0.585 -7.592 0.804) 7.657 21.410 ( -0.585 7.592 0.804) 7.657 22.356 ( -9.978 -5.621 -6.015) 12.936 22.356 ( -9.978 5.621 -6.015) 12.936 22.898 ( -8.567 -1.163 1.117) 8.717 22.898 ( -8.567 1.163 1.117) 8.717 23.330 ( -0.123 -1.802 0.926) 2.030 23.330 ( -0.123 1.802 0.926) 2.030 23.745 ( 20.594 -10.702 -3.400) 23.457 23.745 ( 20.594 10.702 -3.400) 23.457 24.270 ( 0.678 -2.657 4.549) 5.311 24.270 ( 0.678 2.657 4.549) 5.311 24.748 ( 5.125 -1.058 -0.855) 5.303 24.748 ( 5.125 1.058 -0.855) 5.303 25.288 ( -0.185 -7.661 2.298) 8.001 25.288 ( -0.185 7.661 2.298) 8.001 ======================= Grid point 37 (21/136) ======================= q-point: ( 0.18 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 132 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.418 ( 10.016 -8.709 -7.005) 15.007 1.418 ( 10.016 8.709 -7.005) 15.007 1.677 ( 8.443 -4.994 7.521) 12.361 1.677 ( 8.443 4.994 7.521) 12.361 2.305 ( -1.440 -2.099 -8.048) 8.441 2.305 ( -1.440 2.099 -8.048) 8.441 2.772 ( 11.287 -1.870 -4.977) 12.476 2.772 ( 11.287 1.870 -4.977) 12.476 3.039 ( 4.372 -3.970 -3.271) 6.751 3.039 ( 4.372 3.970 -3.271) 6.751 3.328 ( 15.976 -7.814 4.600) 18.369 3.328 ( 15.976 7.814 4.600) 18.369 3.531 ( 1.238 -7.735 -1.018) 7.899 3.531 ( 1.238 7.735 -1.018) 7.899 3.766 ( 7.920 -6.682 1.190) 10.430 3.766 ( 7.920 6.682 1.190) 10.430 3.860 ( 6.447 -0.240 2.183) 6.811 3.860 ( 6.447 0.240 2.183) 6.811 4.520 ( 2.725 -1.787 0.907) 3.382 4.520 ( 2.725 1.787 0.907) 3.382 4.846 ( -0.811 -3.697 -6.722) 7.714 4.846 ( -0.811 3.697 -6.722) 7.714 5.014 ( 5.226 -12.412 -0.152) 13.468 5.014 ( 5.226 12.412 -0.152) 13.468 5.385 ( -4.351 -6.626 2.132) 8.208 5.385 ( -4.351 6.626 2.132) 8.208 5.697 ( 1.832 -4.371 -1.024) 4.848 5.697 ( 1.832 4.371 -1.024) 4.848 6.049 ( -9.429 -3.202 6.405) 11.839 6.049 ( -9.429 3.202 6.405) 11.839 6.731 ( -8.807 -5.319 -3.399) 10.836 6.731 ( -8.807 5.319 -3.399) 10.836 7.255 ( 3.330 -6.253 0.539) 7.105 7.255 ( 3.330 6.253 0.539) 7.105 7.595 ( -6.344 -8.987 -1.983) 11.178 7.595 ( -6.344 8.987 -1.983) 11.178 8.050 ( -6.530 -7.025 0.922) 9.636 8.050 ( -6.530 7.025 0.922) 9.636 8.585 ( 5.633 -2.161 2.879) 6.685 8.585 ( 5.633 2.161 2.879) 6.685 8.870 ( 9.510 -4.221 0.865) 10.441 8.870 ( 9.510 4.221 0.865) 10.441 9.964 ( 3.548 -2.588 -0.330) 4.404 9.964 ( 3.548 2.588 -0.330) 4.404 10.205 ( -1.022 -1.943 2.397) 3.250 10.205 ( -1.022 1.943 2.397) 3.250 11.243 ( 3.381 -3.679 0.632) 5.036 11.243 ( 3.381 3.679 0.632) 5.036 11.600 ( -1.929 -6.725 -1.441) 7.143 11.600 ( -1.929 6.725 -1.441) 7.143 12.841 ( -1.799 -1.138 0.883) 2.304 12.841 ( -1.799 1.138 0.883) 2.304 13.115 ( 4.250 -3.268 -1.278) 5.511 13.115 ( 4.250 3.268 -1.278) 5.511 13.884 ( -8.027 -4.461 -0.641) 9.206 13.884 ( -8.027 4.461 -0.641) 9.206 14.276 ( -7.264 -9.808 7.660) 14.410 14.276 ( -7.264 9.808 7.660) 14.410 14.720 ( 4.290 -2.982 -10.703) 11.910 14.720 ( 4.290 2.982 -10.703) 11.910 15.565 ( -0.305 -4.326 3.814) 5.775 15.565 ( -0.305 4.326 3.814) 5.775 21.409 ( -0.723 -7.769 1.453) 7.936 21.409 ( -0.723 7.769 1.453) 7.936 22.103 ( -10.639 -7.684 -5.971) 14.418 22.103 ( -10.639 7.684 -5.971) 14.418 22.821 ( -4.288 -0.370 2.805) 5.137 22.821 ( -4.288 0.370 2.805) 5.137 23.366 ( 5.129 -1.657 -2.330) 5.872 23.366 ( 5.129 1.657 -2.330) 5.872 23.949 ( 8.511 -7.566 -4.856) 12.379 23.949 ( 8.511 7.566 -4.856) 12.379 24.347 ( 1.541 -3.899 5.475) 6.895 24.347 ( 1.541 3.899 5.475) 6.895 24.871 ( 9.881 -4.362 -1.524) 10.908 24.871 ( 9.881 4.362 -1.524) 10.908 25.318 ( 0.391 -3.941 3.579) 5.338 25.318 ( 0.391 3.941 3.579) 5.338 ======================= Grid point 39 (22/136) ======================= q-point: ( 0.27 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 132 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.516 ( 6.346 -12.088 -2.337) 13.851 1.516 ( 6.346 12.088 -2.337) 13.851 1.883 ( 8.804 -10.368 -0.336) 13.606 1.883 ( 8.804 10.368 -0.336) 13.606 2.231 ( 1.219 -0.770 -1.548) 2.116 2.231 ( 1.219 0.770 -1.548) 2.116 2.787 ( 0.599 -4.536 -5.687) 7.299 2.787 ( 0.599 4.536 -5.687) 7.299 3.103 ( 2.416 -7.042 -0.760) 7.484 3.103 ( 2.416 7.042 -0.760) 7.484 3.418 ( -2.520 -1.521 -2.620) 3.941 3.418 ( -2.520 1.521 -2.620) 3.941 3.676 ( 2.863 -4.066 -0.008) 4.973 3.676 ( 2.863 4.066 -0.008) 4.973 3.875 ( 12.266 -3.830 1.893) 12.989 3.875 ( 12.266 3.830 1.893) 12.989 4.119 ( 14.503 -10.908 2.135) 18.272 4.119 ( 14.503 10.908 2.135) 18.272 4.546 ( -1.072 -5.768 -1.161) 5.980 4.546 ( -1.072 5.768 -1.161) 5.980 4.834 ( 10.594 -5.948 -4.785) 13.058 4.834 ( 10.594 5.948 -4.785) 13.058 5.078 ( 5.541 -8.802 -5.303) 11.674 5.078 ( 5.541 8.802 -5.303) 11.674 5.398 ( 0.542 -7.990 5.948) 9.975 5.398 ( 0.542 7.990 5.948) 9.975 5.695 ( -5.317 -3.460 2.204) 6.716 5.695 ( -5.317 3.460 2.204) 6.716 5.985 ( -3.668 -2.580 5.583) 7.161 5.985 ( -3.668 2.580 5.583) 7.161 6.568 ( -5.133 -3.685 -1.287) 6.449 6.568 ( -5.133 3.685 -1.287) 6.449 7.242 ( -3.192 -5.137 -4.241) 7.387 7.242 ( -3.192 5.137 -4.241) 7.387 7.503 ( -0.781 -6.109 -3.344) 7.008 7.503 ( -0.781 6.109 -3.344) 7.008 7.968 ( -3.918 -8.420 1.888) 9.477 7.968 ( -3.918 8.420 1.888) 9.477 8.646 ( -3.316 -0.455 4.889) 5.925 8.646 ( -3.316 0.455 4.889) 5.925 9.046 ( 10.031 -4.153 0.352) 10.862 9.046 ( 10.031 4.153 0.352) 10.862 10.043 ( 3.702 -3.816 2.266) 5.779 10.043 ( 3.702 3.816 2.266) 5.779 10.191 ( -2.507 -3.499 1.736) 4.641 10.191 ( -2.507 3.499 1.736) 4.641 11.316 ( 5.241 -3.039 -1.269) 6.190 11.316 ( 5.241 3.039 -1.269) 6.190 11.565 ( -0.558 -6.294 -1.288) 6.449 11.565 ( -0.558 6.294 -1.288) 6.449 12.821 ( -1.209 -1.459 0.219) 1.908 12.821 ( -1.209 1.459 0.219) 1.908 13.162 ( 2.246 -3.109 -0.668) 3.893 13.162 ( 2.246 3.109 -0.668) 3.893 13.723 ( -8.928 -6.001 -1.363) 10.843 13.723 ( -8.928 6.001 -1.363) 10.843 14.230 ( -5.961 -10.197 6.618) 13.539 14.230 ( -5.961 10.197 6.618) 13.539 14.697 ( 4.249 -1.555 -9.141) 10.200 14.697 ( 4.249 1.555 -9.141) 10.200 15.601 ( -0.366 -4.485 4.422) 6.309 15.601 ( -0.366 4.485 4.422) 6.309 21.415 ( -0.394 -8.132 1.758) 8.330 21.415 ( -0.394 8.132 1.758) 8.330 21.897 ( -7.541 -6.322 -4.278) 10.730 21.897 ( -7.541 6.322 -4.278) 10.730 22.771 ( -3.964 -1.386 0.999) 4.316 22.771 ( -3.964 1.386 0.999) 4.316 23.461 ( 7.845 -4.041 -1.346) 8.927 23.461 ( 7.845 4.041 -1.346) 8.927 23.995 ( 2.570 -3.144 -3.573) 5.409 23.995 ( 2.570 3.144 -3.573) 5.409 24.404 ( 0.053 -1.879 3.411) 3.894 24.404 ( 0.053 1.879 3.411) 3.894 25.024 ( 9.043 -3.378 -1.910) 9.840 25.024 ( 9.043 3.378 -1.910) 9.840 25.371 ( 1.716 -1.688 3.345) 4.122 25.371 ( 1.716 1.688 3.345) 4.122 ======================= Grid point 41 (23/136) ======================= q-point: ( 0.36 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 132 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.590 ( 3.303 -10.499 0.483) 11.017 1.590 ( 3.303 10.499 0.483) 11.017 1.906 ( 1.064 -8.865 -7.779) 11.842 1.906 ( 1.064 8.865 -7.779) 11.842 2.389 ( 10.849 -4.368 7.856) 14.089 2.389 ( 10.849 4.368 7.856) 14.089 2.721 ( -2.278 -7.392 -4.706) 9.054 2.721 ( -2.278 7.392 -4.706) 9.054 3.083 ( -2.723 -4.858 -1.383) 5.739 3.083 ( -2.723 4.858 -1.383) 5.739 3.371 ( 0.177 -3.119 -3.722) 4.859 3.371 ( 0.177 3.119 -3.722) 4.859 3.631 ( -2.928 -6.888 -1.774) 7.692 3.631 ( -2.928 6.888 -1.774) 7.692 3.927 ( -5.756 -4.334 -3.535) 8.026 3.927 ( -5.756 4.334 -3.535) 8.026 4.368 ( 10.282 -4.737 5.387) 12.537 4.368 ( 10.282 4.737 5.387) 12.537 4.639 ( 9.554 -3.433 3.349) 10.690 4.639 ( 9.554 3.433 3.349) 10.690 5.013 ( 10.517 -4.682 -2.952) 11.885 5.013 ( 10.517 4.682 -2.952) 11.885 5.131 ( 8.532 -2.656 -6.686) 11.160 5.131 ( 8.532 2.656 -6.686) 11.160 5.406 ( -9.179 -3.785 -1.611) 10.059 5.406 ( -9.179 3.785 -1.611) 10.059 5.603 ( -1.248 -9.207 4.724) 10.423 5.603 ( -1.248 9.207 4.724) 10.423 6.045 ( 3.350 -1.704 5.085) 6.323 6.045 ( 3.350 1.704 5.085) 6.323 6.557 ( 0.814 -0.945 4.768) 4.928 6.557 ( 0.814 0.945 4.768) 4.928 7.092 ( -5.801 -7.936 -7.995) 12.671 7.092 ( -5.801 7.936 -7.995) 12.671 7.475 ( -0.726 -5.533 -2.016) 5.934 7.475 ( -0.726 5.533 -2.016) 5.934 7.980 ( 4.933 -5.602 -0.164) 7.466 7.980 ( 4.933 5.602 -0.164) 7.466 8.570 ( -11.107 -1.872 5.572) 12.566 8.570 ( -11.107 1.872 5.572) 12.566 9.203 ( 7.382 -3.257 -0.022) 8.068 9.203 ( 7.382 3.257 -0.022) 8.068 10.098 ( -0.596 -3.007 2.006) 3.663 10.098 ( -0.596 3.007 2.006) 3.663 10.183 ( 0.261 -4.636 2.088) 5.092 10.183 ( 0.261 4.636 2.088) 5.092 11.389 ( 5.164 -2.360 -3.004) 6.423 11.389 ( 5.164 2.360 -3.004) 6.423 11.555 ( 0.129 -5.280 0.011) 5.281 11.555 ( 0.129 5.280 0.011) 5.281 12.804 ( -0.715 -1.375 -0.208) 1.564 12.804 ( -0.715 1.375 -0.208) 1.564 13.178 ( 0.066 -2.642 -0.042) 2.643 13.178 ( 0.066 2.642 -0.042) 2.643 13.574 ( -6.234 -5.342 -1.489) 8.344 13.574 ( -6.234 5.342 -1.489) 8.344 14.200 ( -3.704 -9.126 4.253) 10.728 14.200 ( -3.704 9.126 4.253) 10.728 14.686 ( 2.893 -0.668 -5.781) 6.499 14.686 ( 2.893 0.668 -5.781) 6.499 15.631 ( -0.588 -4.491 3.295) 5.601 15.631 ( -0.588 4.491 3.295) 5.601 21.428 ( 0.015 -8.618 1.539) 8.754 21.428 ( 0.015 8.618 1.539) 8.754 21.758 ( -4.637 -4.243 -2.729) 6.853 21.758 ( -4.637 4.243 -2.729) 6.853 22.709 ( -3.154 -2.277 -0.500) 3.922 22.709 ( -3.154 2.277 -0.500) 3.922 23.599 ( 7.947 -5.200 0.822) 9.533 23.599 ( 7.947 5.200 0.822) 9.533 23.981 ( -0.555 -0.239 -2.822) 2.886 23.981 ( -0.555 0.239 -2.822) 2.886 24.422 ( -0.654 -2.213 1.855) 2.961 24.422 ( -0.654 2.213 1.855) 2.961 25.134 ( 5.544 -0.547 -1.353) 5.733 25.134 ( 5.544 0.547 -1.353) 5.733 25.433 ( 2.162 -6.138 2.054) 6.824 25.433 ( 2.162 6.138 2.054) 6.824 ======================= Grid point 43 (24/136) ======================= q-point: ( 0.45 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 132 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.640 ( 1.303 -4.980 1.128) 5.270 1.640 ( 1.303 4.980 1.128) 5.270 1.849 ( -0.285 -9.079 -3.497) 9.734 1.849 ( -0.285 9.079 -3.497) 9.734 2.629 ( 1.405 -4.750 0.977) 5.049 2.629 ( 1.405 4.750 0.977) 5.049 2.659 ( 5.930 -7.291 1.107) 9.463 2.659 ( 5.930 7.291 1.107) 9.463 3.014 ( -4.712 -6.189 1.198) 7.871 3.014 ( -4.712 6.189 1.198) 7.871 3.311 ( -0.942 -1.373 -5.490) 5.737 3.311 ( -0.942 1.373 -5.490) 5.737 3.594 ( -0.383 -7.591 -0.008) 7.600 3.594 ( -0.383 7.591 -0.008) 7.600 3.790 ( -4.046 -0.218 -1.754) 4.415 3.790 ( -4.046 0.218 -1.754) 4.415 4.605 ( 9.498 -10.164 6.716) 15.448 4.605 ( 9.498 10.164 6.716) 15.448 4.757 ( 0.872 -3.350 0.089) 3.463 4.757 ( 0.872 3.350 0.089) 3.463 5.040 ( -5.090 -3.135 -3.873) 7.123 5.040 ( -5.090 3.135 -3.873) 7.123 5.201 ( -0.878 -3.930 -0.421) 4.049 5.201 ( -0.878 3.930 -0.421) 4.049 5.258 ( 4.941 -4.367 -4.067) 7.748 5.258 ( 4.941 4.367 -4.067) 7.748 5.671 ( 1.534 -7.754 2.592) 8.319 5.671 ( 1.534 7.754 2.592) 8.319 6.150 ( 2.844 -5.414 2.475) 6.598 6.150 ( 2.844 5.414 2.475) 6.598 6.636 ( 1.593 -1.396 4.279) 4.774 6.636 ( 1.593 1.396 4.279) 4.774 6.935 ( -3.505 -13.081 -5.064) 14.459 6.935 ( -3.505 13.081 -5.064) 14.459 7.434 ( -1.490 -11.085 -0.928) 11.223 7.434 ( -1.490 11.085 -0.928) 11.223 8.125 ( 11.921 -1.858 -2.757) 12.376 8.125 ( 11.921 1.858 -2.757) 12.376 8.395 ( -13.554 -2.722 4.582) 14.564 8.395 ( -13.554 2.722 4.582) 14.564 9.288 ( 2.544 -2.427 -0.136) 3.519 9.288 ( 2.544 2.427 -0.136) 3.519 10.090 ( -0.858 -3.143 0.629) 3.318 10.090 ( -0.858 3.143 0.629) 3.318 10.216 ( 0.672 -2.776 1.207) 3.100 10.216 ( 0.672 2.776 1.207) 3.100 11.424 ( 1.841 -3.187 -1.907) 4.145 11.424 ( 1.841 3.187 -1.907) 4.145 11.566 ( 0.391 -3.001 0.539) 3.074 11.566 ( 0.391 3.001 0.539) 3.074 12.793 ( -0.233 -1.203 -0.164) 1.236 12.793 ( -0.233 1.203 -0.164) 1.236 13.172 ( -0.484 -2.075 0.115) 2.134 13.172 ( -0.484 2.075 0.115) 2.134 13.491 ( -2.014 -4.002 -0.662) 4.528 13.491 ( -2.014 4.002 -0.662) 4.528 14.185 ( -1.247 -8.277 1.450) 8.495 14.185 ( -1.247 8.277 1.450) 8.495 14.682 ( 1.007 -0.458 -1.957) 2.248 14.682 ( 1.007 0.458 -1.957) 2.248 15.645 ( -0.303 -4.303 1.191) 4.475 15.645 ( -0.303 4.303 1.191) 4.475 21.441 ( 0.106 -9.015 0.656) 9.040 21.441 ( 0.106 9.015 0.656) 9.040 21.685 ( -1.630 -2.511 -1.000) 3.157 21.685 ( -1.630 2.511 -1.000) 3.157 22.664 ( -1.204 -2.491 -0.410) 2.797 22.664 ( -1.204 2.491 -0.410) 2.797 23.729 ( 4.861 -5.415 1.455) 7.421 23.729 ( 4.861 5.415 1.455) 7.421 23.928 ( -2.179 -1.853 -1.892) 3.430 23.928 ( -2.179 1.853 -1.892) 3.430 24.424 ( -0.358 -3.143 0.587) 3.218 24.424 ( -0.358 3.143 0.587) 3.218 25.189 ( 1.903 -2.707 -0.445) 3.338 25.189 ( 1.903 2.707 -0.445) 3.338 25.475 ( 0.929 -7.796 0.658) 7.879 25.475 ( 0.929 7.796 0.658) 7.879 ======================= Grid point 77 (25/136) ======================= q-point: ( 0.00 0.00 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 132 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.435 ( 29.058 0.000 20.770) 35.718 0.532 ( 0.019 0.000 24.454) 24.454 0.856 ( -12.382 0.000 38.104) 40.066 1.868 ( -2.449 0.000 -3.578) 4.336 2.054 ( -0.270 0.000 -7.411) 7.416 2.216 ( 1.812 0.000 -15.123) 15.231 2.244 ( -0.162 0.000 0.367) 0.401 2.552 ( -7.275 0.000 -0.352) 7.283 2.687 ( -3.750 0.000 2.941) 4.766 2.749 ( 4.502 0.000 -2.461) 5.131 2.911 ( -1.686 0.000 -2.433) 2.960 3.297 ( -5.974 0.000 -3.449) 6.898 3.342 ( -5.101 0.000 -4.801) 7.005 3.558 ( -0.024 0.000 8.103) 8.103 3.715 ( 12.827 0.000 7.513) 14.866 3.759 ( 5.354 0.000 -5.550) 7.711 3.886 ( 5.650 0.000 9.358) 10.931 3.943 ( -1.925 0.000 -0.930) 2.138 4.274 ( -2.271 0.000 -4.273) 4.839 4.419 ( -0.036 0.000 3.429) 3.429 4.654 ( 3.868 0.000 -1.252) 4.066 4.779 ( -0.736 0.000 -3.592) 3.667 5.009 ( 6.630 0.000 -8.539) 10.810 5.021 ( -4.956 0.000 -9.891) 11.063 5.380 ( 4.601 0.000 5.607) 7.253 5.749 ( 2.121 0.000 5.986) 6.351 5.802 ( -3.965 0.000 5.169) 6.515 6.141 ( -17.395 0.000 -4.438) 17.952 6.173 ( 0.765 0.000 5.055) 5.113 6.655 ( -16.579 0.000 -3.782) 17.005 6.758 ( 4.432 0.000 1.062) 4.557 6.810 ( -3.551 0.000 0.765) 3.632 7.084 ( 37.241 0.000 1.749) 37.282 7.462 ( 1.273 0.000 2.392) 2.710 7.513 ( -5.467 0.000 -3.564) 6.526 7.849 ( 4.373 0.000 1.287) 4.559 7.995 ( 1.879 0.000 -5.774) 6.072 8.217 ( 7.701 0.000 -8.696) 11.616 8.471 ( 7.382 0.000 2.235) 7.712 8.496 ( 0.379 0.000 -2.007) 2.042 8.641 ( -11.503 0.000 8.504) 14.305 8.743 ( 7.024 0.000 6.044) 9.267 9.608 ( 0.407 0.000 -0.077) 0.414 9.876 ( 3.810 0.000 -3.282) 5.029 10.155 ( 1.800 0.000 1.373) 2.264 10.311 ( 0.159 0.000 -0.393) 0.423 11.099 ( -0.992 0.000 -0.456) 1.092 11.377 ( 3.370 0.000 -3.709) 5.012 11.634 ( 32.018 0.000 2.754) 32.136 11.821 ( -4.410 0.000 0.194) 4.414 12.871 ( -1.319 0.000 3.026) 3.301 12.937 ( -3.523 0.000 -2.368) 4.245 12.945 ( -1.213 0.000 -0.780) 1.442 13.169 ( 3.425 0.000 4.239) 5.450 13.552 ( 3.185 0.000 -8.743) 9.305 13.563 ( -2.870 0.000 -1.449) 3.214 13.993 ( -4.522 0.000 5.031) 6.764 14.319 ( 4.505 0.000 -8.832) 9.915 14.833 ( -15.657 0.000 12.661) 20.135 15.325 ( 3.427 0.000 1.524) 3.751 15.577 ( 4.395 0.000 -0.116) 4.397 15.914 ( -49.727 0.000 -3.468) 49.848 21.132 ( -2.080 0.000 2.068) 2.933 21.409 ( 1.812 0.000 -1.784) 2.543 21.874 ( 0.343 0.000 2.679) 2.701 22.485 ( -1.506 0.000 -8.057) 8.196 22.826 ( -1.605 0.000 3.246) 3.621 22.955 ( 1.394 0.000 -0.053) 1.395 23.207 ( 5.560 0.000 3.226) 6.428 23.336 ( 9.660 0.000 0.908) 9.703 23.491 ( -2.803 0.000 -1.214) 3.055 23.878 ( -10.469 0.000 -9.177) 13.922 24.203 ( 2.919 0.000 5.467) 6.197 24.503 ( 0.068 0.000 -1.056) 1.058 24.737 ( -1.575 0.000 -0.681) 1.716 24.813 ( 0.038 0.000 -4.402) 4.402 25.346 ( 11.625 0.000 7.470) 13.819 25.619 ( -1.237 0.000 0.896) 1.527 ======================= Grid point 78 (26/136) ======================= q-point: ( 0.09 0.00 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 132 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.854 ( 9.779 0.000 20.402) 22.624 0.912 ( 0.195 0.000 27.820) 27.821 1.483 ( 39.504 0.000 21.182) 44.824 1.908 ( 3.740 0.000 -14.483) 14.958 2.110 ( 19.984 0.000 -2.556) 20.147 2.190 ( 11.006 0.000 -11.365) 15.821 2.254 ( 1.534 0.000 -2.684) 3.092 2.428 ( 2.053 0.000 -7.711) 7.980 2.776 ( 11.678 0.000 3.240) 12.119 2.827 ( -0.923 0.000 4.651) 4.742 2.911 ( 6.963 0.000 -4.109) 8.085 3.126 ( -6.620 0.000 -4.518) 8.015 3.249 ( 0.079 0.000 -5.175) 5.176 3.660 ( 2.324 0.000 5.815) 6.262 3.753 ( 0.827 0.000 -8.150) 8.192 3.861 ( -7.572 0.000 1.132) 7.656 3.959 ( -1.445 0.000 15.137) 15.206 4.076 ( 14.087 0.000 3.157) 14.436 4.260 ( 6.647 0.000 -5.476) 8.612 4.482 ( 3.008 0.000 3.879) 4.908 4.619 ( -8.885 0.000 -7.338) 11.523 4.721 ( 4.168 0.000 -3.508) 5.448 4.923 ( 2.031 0.000 -5.176) 5.561 5.015 ( 5.787 0.000 -11.908) 13.239 5.553 ( 8.064 0.000 7.266) 10.854 5.598 ( -17.363 0.000 5.410) 18.186 5.859 ( 3.189 0.000 5.397) 6.268 6.024 ( -0.115 0.000 3.983) 3.984 6.218 ( -2.957 0.000 7.382) 7.952 6.398 ( -14.834 0.000 -0.380) 14.838 6.633 ( -15.136 0.000 -2.773) 15.388 6.795 ( -2.359 0.000 4.760) 5.312 7.312 ( -10.578 0.000 -8.148) 13.352 7.316 ( -8.324 0.000 0.757) 8.358 7.385 ( 3.075 0.000 0.206) 3.082 7.829 ( -8.864 0.000 -7.153) 11.391 7.984 ( 4.453 0.000 -4.203) 6.123 8.320 ( 12.138 0.000 -4.758) 13.038 8.503 ( 7.768 0.000 -2.654) 8.209 8.577 ( -6.314 0.000 9.672) 11.550 8.723 ( 15.315 0.000 0.738) 15.332 8.991 ( 7.540 0.000 0.544) 7.559 9.673 ( 6.570 0.000 0.519) 6.590 9.926 ( 5.389 0.000 -7.148) 8.952 10.192 ( 0.179 0.000 2.744) 2.750 10.333 ( 3.420 0.000 -1.866) 3.896 11.089 ( 1.273 0.000 -1.541) 1.999 11.377 ( 0.276 0.000 -3.044) 3.057 11.740 ( -2.932 0.000 -3.191) 4.334 11.980 ( 7.813 0.000 -3.278) 8.472 12.852 ( -3.554 0.000 -1.460) 3.842 12.868 ( 0.910 0.000 0.993) 1.347 12.950 ( -0.319 0.000 2.029) 2.054 13.272 ( 3.117 0.000 4.069) 5.126 13.486 ( -0.819 0.000 -9.202) 9.238 13.510 ( 0.152 0.000 -4.083) 4.086 13.966 ( -3.333 0.000 3.491) 4.827 14.350 ( 6.866 0.000 -4.501) 8.210 14.727 ( -10.399 0.000 12.697) 16.412 15.285 ( -26.903 0.000 8.613) 28.248 15.391 ( 1.701 0.000 2.614) 3.118 15.687 ( 5.312 0.000 4.346) 6.863 21.116 ( -1.713 0.000 1.621) 2.358 21.437 ( 3.065 0.000 -1.418) 3.377 21.879 ( -2.720 0.000 5.777) 6.385 22.341 ( -5.257 0.000 -8.717) 10.179 22.830 ( -0.476 0.000 2.929) 2.967 22.986 ( -4.642 0.000 2.662) 5.351 23.248 ( -0.026 0.000 -2.316) 2.316 23.320 ( -1.076 0.000 0.956) 1.439 23.507 ( 9.490 0.000 1.946) 9.688 23.921 ( 11.025 0.000 -9.964) 14.861 24.294 ( 1.489 0.000 5.472) 5.671 24.480 ( -1.211 0.000 -1.909) 2.261 24.719 ( 0.928 0.000 -1.450) 1.722 24.814 ( 2.887 0.000 -3.069) 4.214 25.587 ( -2.715 0.000 -0.115) 2.717 25.612 ( 11.683 0.000 -0.486) 11.693 ======================= Grid point 79 (27/136) ======================= q-point: ( 0.18 0.00 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 132 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.130 ( -4.428 0.000 25.647) 26.027 1.223 ( 12.190 0.000 14.776) 19.155 1.729 ( -4.508 0.000 -16.777) 17.373 2.131 ( 16.699 0.000 -1.820) 16.798 2.238 ( 0.843 0.000 -0.626) 1.050 2.324 ( 13.053 0.000 -4.009) 13.655 2.432 ( 13.308 0.000 -7.539) 15.295 2.662 ( 25.887 0.000 -2.816) 26.040 2.877 ( 6.936 0.000 5.790) 9.035 3.021 ( 7.306 0.000 2.948) 7.879 3.075 ( 9.488 0.000 0.484) 9.500 3.128 ( 20.138 0.000 0.027) 20.138 3.261 ( 7.942 0.000 -2.778) 8.414 3.627 ( -6.911 0.000 -3.799) 7.887 3.693 ( -2.751 0.000 1.331) 3.056 3.757 ( -2.274 0.000 -2.606) 3.459 4.045 ( -2.276 0.000 12.799) 12.999 4.335 ( -7.399 0.000 -6.492) 9.843 4.378 ( 7.390 0.000 -9.190) 11.792 4.391 ( 14.886 0.000 5.912) 16.017 4.597 ( 5.302 0.000 5.296) 7.494 4.789 ( 7.045 0.000 -2.072) 7.343 4.945 ( 3.869 0.000 -2.850) 4.805 4.981 ( 3.706 0.000 -11.746) 12.317 5.431 ( -8.259 0.000 5.226) 9.774 5.754 ( 2.312 0.000 6.439) 6.841 5.911 ( -0.442 0.000 0.678) 0.810 6.069 ( -8.269 0.000 -3.958) 9.168 6.095 ( -10.767 0.000 7.749) 13.265 6.111 ( -16.444 0.000 0.991) 16.474 6.429 ( -2.226 0.000 5.446) 5.883 6.786 ( -3.748 0.000 3.722) 5.283 7.032 ( -10.327 0.000 -9.632) 14.122 7.152 ( -6.304 0.000 -1.766) 6.547 7.483 ( 4.540 0.000 2.227) 5.057 7.640 ( -4.411 0.000 -7.239) 8.477 7.868 ( -8.004 0.000 -6.837) 10.527 8.471 ( 9.532 0.000 -6.336) 11.446 8.615 ( -1.647 0.000 13.498) 13.598 8.733 ( 16.437 0.000 0.358) 16.441 8.970 ( 13.283 0.000 -0.956) 13.317 9.001 ( -6.313 0.000 2.109) 6.656 9.818 ( 7.756 0.000 2.243) 8.074 9.922 ( 1.273 0.000 -3.716) 3.928 10.217 ( -0.419 0.000 2.910) 2.940 10.353 ( 1.382 0.000 -4.128) 4.354 11.124 ( 5.365 0.000 -2.832) 6.067 11.326 ( -2.590 0.000 -2.929) 3.910 11.671 ( 0.155 0.000 -5.698) 5.700 11.966 ( -6.818 0.000 4.101) 7.956 12.796 ( -2.057 0.000 0.101) 2.060 12.902 ( 1.576 0.000 -1.768) 2.368 12.968 ( -0.008 0.000 4.032) 4.032 13.347 ( 1.716 0.000 -0.148) 1.722 13.351 ( -4.571 0.000 -5.593) 7.223 13.492 ( 3.617 0.000 -6.298) 7.262 13.943 ( -2.589 0.000 2.024) 3.286 14.447 ( 8.278 0.000 -3.394) 8.947 14.706 ( -5.060 0.000 9.151) 10.456 15.001 ( -15.657 0.000 4.424) 16.270 15.434 ( 0.601 0.000 2.285) 2.363 15.813 ( 2.329 0.000 6.545) 6.947 21.108 ( -0.958 0.000 1.627) 1.888 21.480 ( 3.393 0.000 -1.520) 3.718 21.893 ( -2.715 0.000 6.212) 6.779 22.152 ( -6.984 0.000 -7.729) 10.417 22.857 ( -9.620 0.000 1.780) 9.783 22.862 ( -0.287 0.000 3.318) 3.330 23.256 ( -0.864 0.000 -4.214) 4.302 23.358 ( 11.878 0.000 -3.123) 12.282 23.786 ( 14.339 0.000 7.704) 16.277 23.972 ( 5.436 0.000 -8.050) 9.714 24.374 ( 2.323 0.000 5.169) 5.667 24.420 ( -2.947 0.000 -3.075) 4.259 24.743 ( 3.244 0.000 -1.243) 3.474 24.838 ( 1.718 0.000 -0.601) 1.820 25.534 ( -2.399 0.000 -0.924) 2.570 25.748 ( 6.272 0.000 -1.832) 6.534 ======================= Grid point 80 (28/136) ======================= q-point: ( 0.27 0.00 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 132 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.278 ( -5.749 0.000 23.308) 24.006 1.418 ( -3.076 0.000 -13.542) 13.887 1.586 ( 8.063 0.000 5.028) 9.502 2.253 ( 12.183 0.000 -13.086) 17.879 2.296 ( 4.234 0.000 4.033) 5.847 2.467 ( 1.077 0.000 -2.891) 3.085 2.528 ( 10.196 0.000 -0.266) 10.200 2.816 ( 5.260 0.000 -2.514) 5.830 3.037 ( 1.637 0.000 4.197) 4.505 3.079 ( -8.029 0.000 0.300) 8.034 3.187 ( 4.417 0.000 0.949) 4.518 3.497 ( 15.405 0.000 -8.108) 17.408 3.532 ( -1.797 0.000 -0.450) 1.852 3.606 ( -4.314 0.000 -1.251) 4.492 3.743 ( 32.420 0.000 9.934) 33.908 3.766 ( 4.225 0.000 -4.122) 5.903 4.147 ( 2.684 0.000 9.983) 10.337 4.194 ( 9.448 0.000 -2.110) 9.681 4.483 ( 8.579 0.000 -5.650) 10.272 4.645 ( 10.482 0.000 -0.351) 10.488 4.765 ( 3.784 0.000 9.652) 10.368 4.871 ( -2.196 0.000 -0.619) 2.281 4.930 ( 3.154 0.000 -6.289) 7.036 4.977 ( 5.629 0.000 -4.736) 7.357 5.399 ( -0.815 0.000 3.147) 3.251 5.524 ( -18.342 0.000 -4.243) 18.826 5.716 ( -20.149 0.000 0.690) 20.161 5.869 ( -1.929 0.000 -2.868) 3.456 6.102 ( 6.831 0.000 5.815) 8.971 6.162 ( 2.762 0.000 2.808) 3.939 6.523 ( -0.621 0.000 10.721) 10.739 6.706 ( -8.042 0.000 -1.309) 8.148 6.800 ( -6.980 0.000 -8.100) 10.692 7.091 ( 2.348 0.000 -2.859) 3.700 7.553 ( 0.411 0.000 -0.085) 0.419 7.562 ( 4.186 0.000 -5.782) 7.138 7.690 ( -3.747 0.000 -2.758) 4.652 8.505 ( 2.033 0.000 -5.804) 6.150 8.749 ( 0.604 0.000 11.535) 11.551 8.840 ( -14.199 0.000 2.821) 14.477 8.999 ( 12.356 0.000 0.847) 12.385 9.161 ( 10.771 0.000 -2.231) 11.000 9.925 ( 1.628 0.000 -0.060) 1.629 9.959 ( 4.785 0.000 4.015) 6.246 10.231 ( -0.744 0.000 1.644) 1.805 10.296 ( -1.961 0.000 -5.820) 6.142 11.207 ( 7.661 0.000 -4.043) 8.662 11.249 ( -2.072 0.000 -3.422) 4.001 11.638 ( 2.267 0.000 -5.441) 5.894 11.879 ( -8.801 0.000 6.752) 11.093 12.785 ( -0.077 0.000 1.517) 1.519 12.881 ( -1.828 0.000 -0.561) 1.912 13.023 ( 1.227 0.000 3.557) 3.763 13.172 ( -5.997 0.000 -8.700) 10.566 13.391 ( 0.038 0.000 3.321) 3.321 13.509 ( 5.790 0.000 -7.248) 9.276 13.915 ( -2.179 0.000 0.781) 2.315 14.553 ( 5.692 0.000 -0.085) 5.693 14.707 ( -3.432 0.000 2.705) 4.370 14.816 ( -9.778 0.000 5.300) 11.122 15.456 ( -0.075 0.000 1.304) 1.306 15.875 ( -1.865 0.000 4.978) 5.316 21.115 ( -0.370 0.000 2.065) 2.098 21.521 ( 3.231 0.000 -1.751) 3.675 21.900 ( -3.171 0.000 5.484) 6.335 21.964 ( -6.663 0.000 -6.150) 9.067 22.725 ( -6.747 0.000 0.319) 6.755 22.851 ( -3.394 0.000 0.818) 3.491 23.274 ( 6.141 0.000 -0.800) 6.193 23.538 ( 11.271 0.000 -1.789) 11.412 23.962 ( 1.953 0.000 -6.630) 6.911 24.084 ( 9.249 0.000 6.508) 11.309 24.337 ( -1.280 0.000 -2.743) 3.027 24.478 ( 4.421 0.000 3.759) 5.803 24.797 ( 3.577 0.000 -0.224) 3.584 24.855 ( -0.118 0.000 1.241) 1.246 25.498 ( -0.561 0.000 -0.986) 1.134 25.809 ( 3.634 0.000 -2.760) 4.564 ======================= Grid point 81 (29/136) ======================= q-point: ( 0.36 0.00 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 132 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.221 ( -1.031 0.000 -10.586) 10.636 1.384 ( -7.624 0.000 21.874) 23.164 1.789 ( 6.649 0.000 5.113) 8.387 2.343 ( 12.996 0.000 -13.494) 18.734 2.414 ( -0.208 0.000 5.629) 5.633 2.490 ( 4.540 0.000 1.734) 4.860 2.658 ( 7.210 0.000 -2.475) 7.623 2.891 ( 5.430 0.000 -1.441) 5.618 2.918 ( -7.992 0.000 0.594) 8.014 3.038 ( -0.827 0.000 -4.100) 4.183 3.302 ( 0.708 0.000 13.654) 13.672 3.441 ( -5.855 0.000 -5.414) 7.974 3.479 ( -7.697 0.000 -0.313) 7.703 3.586 ( 4.574 0.000 -2.283) 5.112 3.762 ( 5.326 0.000 -1.728) 5.599 4.094 ( 0.713 0.000 6.392) 6.432 4.416 ( 12.507 0.000 -2.196) 12.699 4.421 ( -3.469 0.000 -0.484) 3.502 4.639 ( -13.695 0.000 -1.110) 13.740 4.720 ( 29.814 0.000 -3.449) 30.013 4.766 ( 6.751 0.000 -1.449) 6.905 4.840 ( 5.230 0.000 2.037) 5.613 5.035 ( 5.217 0.000 -3.940) 6.538 5.117 ( 10.974 0.000 13.807) 17.637 5.308 ( -3.413 0.000 -2.521) 4.243 5.393 ( -9.840 0.000 -0.211) 9.842 5.464 ( -2.036 0.000 -0.284) 2.055 5.889 ( 5.050 0.000 -1.104) 5.170 6.219 ( 1.619 0.000 0.658) 1.748 6.251 ( 4.292 0.000 3.849) 5.765 6.478 ( -12.885 0.000 -5.948) 14.192 6.498 ( -12.437 0.000 0.130) 12.437 6.646 ( -2.661 0.000 -0.413) 2.692 7.179 ( 8.735 0.000 -0.697) 8.763 7.517 ( 1.072 0.000 -3.112) 3.291 7.701 ( 2.861 0.000 1.079) 3.058 7.711 ( 16.845 0.000 -1.511) 16.912 8.429 ( -4.341 0.000 -6.637) 7.931 8.572 ( -20.268 0.000 3.853) 20.631 8.806 ( -4.666 0.000 6.120) 7.696 9.173 ( 7.439 0.000 0.006) 7.439 9.304 ( 8.144 0.000 -1.565) 8.293 9.978 ( 3.057 0.000 1.547) 3.426 10.051 ( 1.593 0.000 2.928) 3.333 10.190 ( -3.065 0.000 -5.669) 6.445 10.219 ( -1.443 0.000 -0.048) 1.444 11.205 ( 0.485 0.000 -2.433) 2.481 11.294 ( 7.323 0.000 -5.066) 8.905 11.644 ( 3.054 0.000 -2.688) 4.069 11.802 ( -8.114 0.000 7.292) 10.909 12.824 ( 2.311 0.000 2.525) 3.423 12.843 ( -1.815 0.000 -0.441) 1.868 12.990 ( -5.698 0.000 -7.309) 9.267 13.065 ( -0.205 0.000 2.984) 2.991 13.417 ( -0.847 0.000 3.643) 3.741 13.547 ( 6.488 0.000 -6.764) 9.373 13.887 ( -1.373 0.000 -0.027) 1.373 14.576 ( -8.347 0.000 1.450) 8.472 14.657 ( 4.726 0.000 -2.030) 5.143 14.809 ( -2.157 0.000 9.020) 9.275 15.457 ( -0.511 0.000 -0.195) 0.547 15.852 ( -3.771 0.000 1.205) 3.959 21.133 ( -0.339 0.000 2.681) 2.702 21.559 ( 3.178 0.000 -1.763) 3.635 21.816 ( -4.358 0.000 -4.064) 5.959 21.890 ( -3.474 0.000 4.201) 5.452 22.632 ( -3.888 0.000 -0.449) 3.914 22.793 ( -2.636 0.000 -0.496) 2.682 23.414 ( 7.240 0.000 3.001) 7.838 23.705 ( 9.307 0.000 -0.417) 9.316 23.920 ( -0.201 0.000 -4.630) 4.634 24.106 ( -4.344 0.000 -2.792) 5.164 24.422 ( 6.957 0.000 1.724) 7.167 24.575 ( 3.747 0.000 -0.036) 3.747 24.858 ( 2.311 0.000 2.533) 3.428 24.865 ( -1.077 0.000 3.585) 3.744 25.495 ( 0.748 0.000 -0.490) 0.894 25.829 ( 2.516 0.000 -3.579) 4.375 ======================= Grid point 82 (30/136) ======================= q-point: ( 0.45 0.00 -0.83) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 132 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.239 ( 7.419 0.000 3.103) 8.041 1.433 ( -10.617 0.000 20.050) 22.687 1.898 ( 0.922 0.000 3.625) 3.740 2.396 ( -3.962 0.000 1.035) 4.095 2.423 ( 10.901 0.000 -12.959) 16.934 2.582 ( 0.939 0.000 3.898) 4.009 2.758 ( 6.302 0.000 -0.207) 6.306 2.848 ( -2.334 0.000 0.532) 2.394 2.898 ( -1.131 0.000 -8.203) 8.280 3.016 ( 2.900 0.000 -1.479) 3.255 3.291 ( -9.665 0.000 3.625) 10.322 3.350 ( 0.422 0.000 1.856) 1.903 3.520 ( 2.551 0.000 15.010) 15.225 3.649 ( 3.914 0.000 0.795) 3.994 3.948 ( 14.163 0.000 2.709) 14.420 4.088 ( -5.320 0.000 2.284) 5.790 4.160 ( -15.748 0.000 0.158) 15.749 4.460 ( 3.136 0.000 -3.264) 4.526 4.539 ( -0.947 0.000 -2.167) 2.365 4.770 ( -1.247 0.000 -4.184) 4.366 4.982 ( 3.505 0.000 -1.653) 3.876 5.023 ( 5.246 0.000 3.353) 6.226 5.163 ( -9.415 0.000 -5.243) 10.776 5.271 ( 5.144 0.000 3.799) 6.395 5.327 ( 19.539 0.000 -2.354) 19.680 5.402 ( 1.210 0.000 8.661) 8.745 5.472 ( 0.116 0.000 -2.277) 2.280 5.911 ( -4.368 0.000 -1.883) 4.756 6.195 ( -11.058 0.000 -6.995) 13.085 6.230 ( -0.517 0.000 -0.897) 1.035 6.288 ( 0.519 0.000 0.192) 0.554 6.334 ( 1.354 0.000 -0.310) 1.389 6.660 ( 0.135 0.000 6.216) 6.218 7.296 ( 3.057 0.000 1.137) 3.261 7.562 ( 5.352 0.000 -2.648) 5.971 7.813 ( 11.858 0.000 -0.279) 11.861 8.050 ( 20.682 0.000 0.581) 20.690 8.221 ( -10.990 0.000 -7.852) 13.507 8.236 ( -22.564 0.000 4.251) 22.961 8.712 ( -8.237 0.000 -1.455) 8.365 9.263 ( 2.962 0.000 0.269) 2.974 9.406 ( 4.095 0.000 0.107) 4.096 9.986 ( -2.211 0.000 -4.026) 4.593 10.058 ( -1.990 0.000 -1.055) 2.253 10.154 ( 3.172 0.000 0.656) 3.239 10.190 ( -0.867 0.000 -1.307) 1.568 11.218 ( 2.044 0.000 0.024) 2.044 11.357 ( 5.983 0.000 -5.596) 8.192 11.689 ( 3.084 0.000 0.912) 3.216 11.736 ( -7.753 0.000 6.722) 10.262 12.815 ( -0.696 0.000 -0.901) 1.138 12.843 ( -3.583 0.000 -5.028) 6.174 12.917 ( 4.781 0.000 3.098) 5.697 13.070 ( -1.842 0.000 1.645) 2.469 13.432 ( -1.649 0.000 3.616) 3.975 13.599 ( 6.237 0.000 -5.016) 8.004 13.871 ( -0.327 0.000 0.033) 0.329 14.439 ( -5.105 0.000 -3.967) 6.465 14.733 ( 1.417 0.000 5.757) 5.929 14.870 ( -0.870 0.000 8.195) 8.241 15.434 ( -0.908 0.000 -2.095) 2.283 15.787 ( -2.573 0.000 -2.504) 3.591 21.151 ( -0.917 0.000 3.238) 3.365 21.587 ( 1.735 0.000 -2.398) 2.960 21.756 ( 0.859 0.000 -0.614) 1.056 21.862 ( -3.404 0.000 2.373) 4.149 22.584 ( -1.042 0.000 -0.509) 1.159 22.762 ( -0.577 0.000 -0.262) 0.634 23.524 ( 0.753 0.000 2.710) 2.813 23.831 ( 3.911 0.000 -2.596) 4.694 23.890 ( 2.070 0.000 1.017) 2.306 24.031 ( 0.120 0.000 -1.752) 1.756 24.485 ( 0.704 0.000 -2.970) 3.052 24.582 ( -0.458 0.000 -4.607) 4.629 24.896 ( -0.873 0.000 5.717) 5.783 24.926 ( 0.771 0.000 5.494) 5.548 25.502 ( 0.234 0.000 -0.256) 0.346 25.834 ( 2.435 0.000 -3.820) 4.530 ======================= Grid point 83 (31/136) ======================= q-point: (-0.45 0.00 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 132 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.402 ( -14.205 0.000 17.100) 22.230 1.487 ( 10.789 0.000 11.564) 15.816 1.866 ( -8.457 0.000 0.711) 8.487 2.346 ( -0.566 0.000 1.575) 1.674 2.460 ( 7.070 0.000 -11.873) 13.818 2.617 ( -1.821 0.000 5.265) 5.571 2.743 ( -4.253 0.000 -9.530) 10.436 2.838 ( 1.250 0.000 1.597) 2.028 2.874 ( 4.795 0.000 1.263) 4.958 3.022 ( -1.568 0.000 0.425) 1.624 3.233 ( -2.970 0.000 7.683) 8.237 3.436 ( 3.694 0.000 1.627) 4.037 3.681 ( 0.983 0.000 8.292) 8.350 3.771 ( 7.461 0.000 6.770) 10.075 3.961 ( -6.017 0.000 3.908) 7.174 3.982 ( -7.966 0.000 0.668) 7.994 4.315 ( 18.782 0.000 5.399) 19.543 4.492 ( -2.136 0.000 -3.040) 3.715 4.512 ( 4.848 0.000 -6.654) 8.233 4.653 ( -6.058 0.000 -8.357) 10.321 4.943 ( -17.318 0.000 1.946) 17.427 4.999 ( -2.622 0.000 -0.857) 2.758 5.009 ( -0.615 0.000 -0.651) 0.895 5.312 ( 0.579 0.000 1.655) 1.754 5.376 ( -1.419 0.000 -4.913) 5.114 5.422 ( -16.579 0.000 1.727) 16.668 5.440 ( -2.250 0.000 5.070) 5.547 5.842 ( 7.218 0.000 -2.764) 7.730 6.081 ( 5.075 0.000 -7.933) 9.417 6.215 ( -1.032 0.000 -1.422) 1.757 6.300 ( -5.333 0.000 -1.099) 5.445 6.442 ( 9.653 0.000 2.285) 9.920 6.773 ( 4.481 0.000 8.332) 9.461 7.328 ( -0.728 0.000 2.016) 2.144 7.604 ( 3.527 0.000 -2.087) 4.098 7.897 ( -18.467 0.000 4.626) 19.038 7.925 ( -13.117 0.000 -5.794) 14.340 8.112 ( 18.939 0.000 -0.148) 18.940 8.386 ( 15.755 0.000 -2.202) 15.908 8.525 ( -6.454 0.000 -6.547) 9.193 9.280 ( -2.089 0.000 1.358) 2.492 9.434 ( -1.535 0.000 0.602) 1.649 9.904 ( -1.498 0.000 -3.103) 3.445 9.975 ( -3.954 0.000 -3.950) 5.589 10.169 ( 0.183 0.000 -1.946) 1.955 10.236 ( 4.621 0.000 -0.152) 4.623 11.260 ( 1.635 0.000 1.258) 2.063 11.389 ( 4.080 0.000 -6.054) 7.300 11.663 ( -7.448 0.000 5.640) 9.343 11.760 ( 2.374 0.000 3.507) 4.235 12.762 ( -1.404 0.000 -2.625) 2.977 12.803 ( 0.673 0.000 -1.556) 1.695 13.037 ( -2.761 0.000 -0.024) 2.761 13.052 ( 6.964 0.000 2.970) 7.571 13.431 ( -1.896 0.000 2.795) 3.378 13.661 ( 4.841 0.000 -2.274) 5.348 13.878 ( 0.333 0.000 1.200) 1.246 14.332 ( -1.109 0.000 -6.923) 7.012 14.819 ( -0.635 0.000 10.892) 10.910 14.931 ( -1.212 0.000 7.880) 7.973 15.386 ( -0.995 0.000 -4.159) 4.277 15.724 ( -0.351 0.000 -5.116) 5.128 21.162 ( -1.693 0.000 3.680) 4.051 21.571 ( -0.064 0.000 -2.807) 2.808 21.819 ( -2.974 0.000 -0.042) 2.974 21.835 ( 6.393 0.000 2.531) 6.876 22.588 ( 1.565 0.000 0.253) 1.585 22.759 ( 0.672 0.000 -1.161) 1.341 23.493 ( -5.187 0.000 1.695) 5.457 23.800 ( -2.244 0.000 -1.131) 2.513 24.003 ( 5.694 0.000 2.746) 6.322 24.073 ( 3.523 0.000 -0.249) 3.531 24.414 ( -3.641 0.000 -3.637) 5.146 24.479 ( -4.479 0.000 -7.182) 8.465 24.930 ( -1.706 0.000 5.302) 5.570 24.973 ( -1.915 0.000 5.428) 5.756 25.496 ( -0.434 0.000 -0.337) 0.550 25.841 ( 2.507 0.000 -3.405) 4.228 ======================= Grid point 84 (32/136) ======================= q-point: (-0.36 0.00 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 132 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.269 ( -17.835 0.000 11.983) 21.486 1.564 ( -15.910 0.000 -3.189) 16.226 1.832 ( 7.137 0.000 12.471) 14.369 2.398 ( -2.154 0.000 -10.498) 10.717 2.407 ( -0.813 0.000 6.384) 6.435 2.625 ( -1.071 0.000 -3.198) 3.373 2.658 ( 2.626 0.000 7.017) 7.492 2.910 ( -1.423 0.000 -0.601) 1.545 2.921 ( 6.187 0.000 0.305) 6.195 3.047 ( 3.112 0.000 2.632) 4.076 3.281 ( -1.002 0.000 6.583) 6.659 3.493 ( 3.536 0.000 0.221) 3.543 3.670 ( -5.448 0.000 -4.507) 7.071 3.831 ( -10.623 0.000 -1.011) 10.671 3.934 ( -3.085 0.000 9.514) 10.002 4.042 ( 7.660 0.000 9.010) 11.826 4.203 ( -25.220 0.000 -6.243) 25.981 4.336 ( -12.937 0.000 -3.249) 13.339 4.531 ( -3.398 0.000 -4.230) 5.426 4.628 ( 8.957 0.000 -1.938) 9.164 4.697 ( -10.310 0.000 -1.004) 10.359 4.857 ( -11.114 0.000 0.086) 11.114 5.103 ( 8.440 0.000 0.666) 8.467 5.184 ( -5.763 0.000 1.076) 5.863 5.343 ( 4.048 0.000 1.689) 4.386 5.404 ( 7.416 0.000 0.021) 7.416 5.473 ( -0.020 0.000 3.700) 3.700 5.902 ( 1.319 0.000 1.431) 1.946 6.127 ( -10.662 0.000 -4.367) 11.522 6.152 ( -3.605 0.000 -2.783) 4.554 6.159 ( 7.149 0.000 -3.820) 8.105 6.539 ( 2.707 0.000 -4.911) 5.608 6.961 ( 7.051 0.000 9.547) 11.869 7.289 ( -4.585 0.000 -0.098) 4.586 7.581 ( -7.552 0.000 -1.200) 7.647 7.723 ( -4.557 0.000 -2.144) 5.036 7.815 ( 5.177 0.000 8.636) 10.069 8.267 ( -5.072 0.000 -15.437) 16.249 8.440 ( 18.125 0.000 -0.479) 18.131 8.644 ( 8.378 0.000 2.200) 8.662 9.207 ( -8.387 0.000 2.004) 8.623 9.360 ( -7.028 0.000 -0.185) 7.031 9.877 ( -2.635 0.000 -3.515) 4.394 9.900 ( 2.311 0.000 0.626) 2.394 10.152 ( -0.056 0.000 -2.481) 2.482 10.293 ( 3.854 0.000 -3.194) 5.005 11.287 ( 0.647 0.000 0.296) 0.711 11.363 ( -0.696 0.000 -6.023) 6.063 11.605 ( -3.903 0.000 2.975) 4.908 11.830 ( 0.975 0.000 4.662) 4.763 12.743 ( 0.798 0.000 -0.321) 0.860 12.806 ( 1.782 0.000 -2.357) 2.955 12.984 ( -2.342 0.000 -1.227) 2.644 13.192 ( 6.147 0.000 0.979) 6.225 13.430 ( -0.395 0.000 1.645) 1.692 13.713 ( 1.642 0.000 0.951) 1.898 13.905 ( 0.372 0.000 3.247) 3.268 14.270 ( 3.680 0.000 -10.033) 10.687 14.929 ( -2.027 0.000 16.864) 16.985 14.979 ( -1.976 0.000 7.676) 7.926 15.324 ( -0.310 0.000 -5.845) 5.854 15.672 ( 0.694 0.000 -6.612) 6.648 21.166 ( -2.218 0.000 4.009) 4.581 21.539 ( -0.558 0.000 -2.765) 2.821 21.762 ( -2.168 0.000 -2.329) 3.181 22.006 ( 9.277 0.000 4.256) 10.206 22.639 ( 3.328 0.000 1.157) 3.523 22.751 ( 0.752 0.000 -3.334) 3.418 23.429 ( -4.439 0.000 3.405) 5.594 23.751 ( -4.081 0.000 2.261) 4.666 24.036 ( -6.634 0.000 -4.508) 8.021 24.115 ( 4.744 0.000 1.149) 4.881 24.301 ( -6.916 0.000 -7.974) 10.556 24.372 ( 1.446 0.000 1.123) 1.831 24.938 ( -2.440 0.000 4.005) 4.690 24.962 ( -4.663 0.000 4.145) 6.239 25.492 ( 0.444 0.000 0.073) 0.450 25.850 ( 1.839 0.000 -2.865) 3.405 ======================= Grid point 85 (33/136) ======================= q-point: (-0.27 0.00 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 132 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.020 ( -20.515 0.000 4.997) 21.115 1.196 ( -21.320 0.000 -3.050) 21.537 2.056 ( 4.370 0.000 10.024) 10.935 2.214 ( -11.503 0.000 -4.015) 12.183 2.387 ( -5.724 0.000 3.621) 6.773 2.597 ( -1.168 0.000 -0.939) 1.499 2.852 ( -2.631 0.000 -3.642) 4.493 2.861 ( 8.941 0.000 10.138) 13.517 3.009 ( 3.654 0.000 -2.447) 4.398 3.122 ( -1.588 0.000 3.018) 3.410 3.271 ( -17.930 0.000 0.587) 17.940 3.335 ( -10.959 0.000 -3.806) 11.601 3.572 ( -0.292 0.000 0.467) 0.550 3.583 ( -6.120 0.000 -9.841) 11.588 3.715 ( -30.242 0.000 2.571) 30.351 3.913 ( -12.634 0.000 9.950) 16.082 4.022 ( -7.391 0.000 9.315) 11.891 4.368 ( 11.032 0.000 3.226) 11.494 4.368 ( -10.383 0.000 -5.401) 11.704 4.569 ( -2.950 0.000 -2.248) 3.709 4.588 ( -3.550 0.000 -3.796) 5.197 4.766 ( -2.025 0.000 -4.609) 5.034 5.090 ( -3.235 0.000 -5.006) 5.961 5.137 ( -2.896 0.000 3.432) 4.490 5.506 ( 2.897 0.000 -0.664) 2.972 5.554 ( 6.681 0.000 -2.848) 7.263 5.636 ( 14.461 0.000 11.598) 18.537 5.899 ( -8.276 0.000 -4.500) 9.421 5.942 ( 1.180 0.000 0.893) 1.480 6.072 ( -0.563 0.000 -2.828) 2.883 6.263 ( 9.086 0.000 1.879) 9.278 6.482 ( 0.410 0.000 -8.773) 8.782 7.197 ( 8.644 0.000 10.217) 13.383 7.217 ( -2.440 0.000 -0.337) 2.463 7.451 ( -4.275 0.000 -3.234) 5.360 7.718 ( 3.758 0.000 0.506) 3.791 8.041 ( 7.470 0.000 9.313) 11.939 8.047 ( -0.707 0.000 -17.985) 17.999 8.702 ( 13.327 0.000 -2.333) 13.530 8.737 ( -0.893 0.000 3.315) 3.433 9.043 ( -12.784 0.000 3.413) 13.231 9.208 ( -9.972 0.000 -0.000) 9.972 9.821 ( -1.405 0.000 -1.664) 2.178 9.978 ( 4.020 0.000 3.073) 5.060 10.109 ( -1.429 0.000 -3.224) 3.527 10.309 ( 2.890 0.000 -5.389) 6.115 11.263 ( -3.927 0.000 -4.598) 6.047 11.295 ( 1.356 0.000 -1.637) 2.126 11.568 ( -1.442 0.000 -3.266) 3.570 11.879 ( -0.708 0.000 4.836) 4.888 12.780 ( 2.735 0.000 1.540) 3.138 12.812 ( 1.723 0.000 -2.888) 3.363 12.946 ( 0.053 0.000 -1.698) 1.699 13.252 ( 0.816 0.000 -1.525) 1.729 13.464 ( 3.705 0.000 -0.705) 3.772 13.727 ( -2.425 0.000 3.133) 3.962 13.951 ( -0.219 0.000 5.669) 5.673 14.264 ( 8.125 0.000 -12.536) 14.939 15.007 ( -3.417 0.000 7.975) 8.676 15.099 ( -1.526 0.000 25.397) 25.442 15.268 ( 0.944 0.000 -6.500) 6.568 15.617 ( 0.645 0.000 -6.858) 6.888 21.165 ( -2.442 0.000 4.044) 4.724 21.497 ( -1.091 0.000 -2.941) 3.136 21.705 ( -1.043 0.000 -3.227) 3.391 22.224 ( 10.504 0.000 4.852) 11.570 22.716 ( 3.985 0.000 1.323) 4.199 22.724 ( 0.728 0.000 -4.371) 4.431 23.401 ( -3.424 0.000 3.262) 4.729 23.686 ( -8.641 0.000 4.476) 9.732 23.820 ( -11.469 0.000 -3.864) 12.103 24.078 ( -1.592 0.000 -12.979) 13.077 24.223 ( 0.488 0.000 4.739) 4.764 24.434 ( 2.891 0.000 1.565) 3.288 24.904 ( -5.713 0.000 2.959) 6.433 24.929 ( -2.337 0.000 2.866) 3.698 25.517 ( 1.845 0.000 0.974) 2.086 25.843 ( 0.770 0.000 -3.471) 3.555 ======================= Grid point 86 (34/136) ======================= q-point: (-0.18 0.00 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 132 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.680 ( -20.730 0.000 -0.246) 20.731 0.801 ( -23.116 0.000 1.901) 23.194 1.811 ( -36.942 0.000 1.627) 36.978 2.166 ( 0.580 0.000 3.599) 3.645 2.307 ( -6.371 0.000 1.486) 6.542 2.547 ( -2.536 0.000 -4.289) 4.983 2.728 ( -13.205 0.000 -0.099) 13.206 2.783 ( -9.841 0.000 0.509) 9.854 2.902 ( -25.297 0.000 5.069) 25.800 3.015 ( -25.089 0.000 -3.931) 25.395 3.139 ( 10.222 0.000 5.962) 11.833 3.183 ( -1.389 0.000 -4.845) 5.040 3.298 ( -0.748 0.000 -0.529) 0.916 3.481 ( 1.838 0.000 -0.361) 1.873 3.707 ( 3.218 0.000 0.097) 3.219 3.774 ( -15.072 0.000 5.705) 16.115 3.985 ( -4.748 0.000 5.200) 7.042 4.122 ( -10.506 0.000 -5.205) 11.725 4.467 ( -4.534 0.000 -2.025) 4.966 4.505 ( -4.767 0.000 1.215) 4.919 4.540 ( 6.098 0.000 -3.285) 6.926 4.736 ( 3.032 0.000 -1.730) 3.491 4.993 ( -0.158 0.000 -6.678) 6.680 5.160 ( 0.011 0.000 6.333) 6.333 5.495 ( -7.004 0.000 -4.664) 8.415 5.557 ( 3.939 0.000 -1.324) 4.156 5.737 ( -4.568 0.000 -5.344) 7.030 5.836 ( -1.539 0.000 8.576) 8.713 6.008 ( 4.900 0.000 0.874) 4.978 6.206 ( 13.596 0.000 3.092) 13.943 6.451 ( 6.910 0.000 -6.974) 9.818 6.523 ( 13.818 0.000 5.702) 14.948 7.208 ( 1.256 0.000 0.171) 1.267 7.361 ( -0.966 0.000 -6.870) 6.938 7.428 ( 7.013 0.000 7.724) 10.433 7.830 ( 8.266 0.000 0.835) 8.308 7.922 ( 6.489 0.000 -16.811) 18.020 8.170 ( -1.862 0.000 3.179) 3.684 8.686 ( -7.835 0.000 2.827) 8.330 8.778 ( -3.117 0.000 -4.123) 5.169 8.932 ( -1.084 0.000 3.553) 3.714 9.025 ( -12.651 0.000 2.102) 12.825 9.761 ( -5.004 0.000 -0.634) 5.044 10.069 ( 2.927 0.000 0.819) 3.040 10.072 ( 1.467 0.000 -2.614) 2.997 10.291 ( 1.403 0.000 -5.224) 5.409 11.165 ( -2.715 0.000 -2.864) 3.947 11.311 ( 3.309 0.000 -3.275) 4.656 11.450 ( -5.015 0.000 -10.912) 12.009 11.898 ( -2.345 0.000 4.276) 4.877 12.813 ( 1.188 0.000 -1.271) 1.740 12.862 ( 4.141 0.000 2.704) 4.946 12.953 ( 2.788 0.000 -2.615) 3.822 13.209 ( -2.918 0.000 -2.289) 3.709 13.521 ( 5.354 0.000 -4.523) 7.009 13.693 ( -4.704 0.000 2.925) 5.539 13.998 ( -1.896 0.000 7.047) 7.298 14.295 ( 9.811 0.000 -13.484) 16.675 15.009 ( -5.246 0.000 7.438) 9.102 15.239 ( 2.567 0.000 -5.303) 5.891 15.427 ( 4.948 0.000 40.230) 40.533 15.566 ( 0.760 0.000 -5.732) 5.782 21.159 ( -2.519 0.000 3.469) 4.287 21.448 ( -1.005 0.000 -2.904) 3.073 21.673 ( 0.136 0.000 -1.202) 1.210 22.440 ( 9.160 0.000 2.870) 9.599 22.706 ( 1.763 0.000 -2.439) 3.010 22.799 ( 4.254 0.000 1.449) 4.494 23.333 ( -6.629 0.000 -0.963) 6.698 23.493 ( -14.325 0.000 -3.330) 14.707 23.629 ( -7.480 0.000 0.370) 7.489 24.007 ( 3.332 0.000 -3.726) 4.999 24.270 ( 0.090 0.000 3.185) 3.187 24.484 ( 1.648 0.000 0.445) 1.707 24.835 ( -4.828 0.000 2.028) 5.236 24.917 ( -1.884 0.000 2.147) 2.856 25.566 ( 2.108 0.000 1.596) 2.644 25.792 ( -0.710 0.000 -9.515) 9.542 ======================= Grid point 87 (35/136) ======================= q-point: (-0.09 0.00 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 132 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.322 ( -19.736 0.000 -2.289) 19.868 0.493 ( -18.907 0.000 14.693) 23.945 1.108 ( -47.935 0.000 20.148) 51.997 2.100 ( -11.014 0.000 -1.614) 11.132 2.218 ( -6.866 0.000 -2.277) 7.233 2.324 ( -22.579 0.000 0.954) 22.599 2.394 ( -3.747 0.000 -15.224) 15.678 2.584 ( -5.508 0.000 5.438) 7.740 2.756 ( 0.858 0.000 1.629) 1.841 2.790 ( -10.548 0.000 2.383) 10.814 3.022 ( -5.261 0.000 -10.689) 11.914 3.327 ( 3.636 0.000 3.452) 5.014 3.333 ( 3.986 0.000 7.267) 8.289 3.530 ( -12.314 0.000 0.800) 12.339 3.607 ( 3.304 0.000 8.845) 9.442 3.724 ( 3.577 0.000 -5.196) 6.308 3.875 ( -13.857 0.000 -4.323) 14.515 3.968 ( -0.929 0.000 0.103) 0.935 4.370 ( -4.224 0.000 -2.100) 4.718 4.432 ( -4.647 0.000 2.065) 5.085 4.597 ( 4.267 0.000 -2.026) 4.723 4.781 ( 3.123 0.000 -2.366) 3.918 4.968 ( 3.907 0.000 -4.694) 6.107 5.209 ( -3.312 0.000 -1.815) 3.777 5.307 ( -4.188 0.000 -0.828) 4.269 5.677 ( 9.125 0.000 5.869) 10.850 5.686 ( 0.096 0.000 2.138) 2.140 6.024 ( 15.398 0.000 26.878) 30.976 6.099 ( 3.375 0.000 2.612) 4.268 6.334 ( 1.982 0.000 -5.071) 5.444 6.628 ( 11.865 0.000 2.522) 12.130 6.757 ( 6.967 0.000 3.270) 7.696 7.160 ( -7.249 0.000 -14.421) 16.140 7.334 ( 7.379 0.000 -2.519) 7.797 7.555 ( 1.365 0.000 2.433) 2.790 7.936 ( 10.031 0.000 -10.702) 14.668 8.008 ( -15.020 0.000 -3.026) 15.321 8.032 ( 15.218 0.000 -1.673) 15.310 8.546 ( -9.698 0.000 0.255) 9.701 8.659 ( -6.004 0.000 -5.464) 8.119 8.812 ( -15.431 0.000 5.179) 16.276 8.857 ( -11.228 0.000 -5.712) 12.597 9.656 ( -5.258 0.000 -0.368) 5.271 9.990 ( -8.056 0.000 -8.738) 11.885 10.105 ( 3.270 0.000 -0.457) 3.301 10.299 ( 1.954 0.000 0.508) 2.019 11.124 ( -0.920 0.000 0.243) 0.952 11.258 ( -2.559 0.000 1.155) 2.808 11.344 ( 4.437 0.000 -3.952) 5.942 11.879 ( -3.857 0.000 2.779) 4.754 12.837 ( 1.262 0.000 1.793) 2.193 12.957 ( 3.079 0.000 1.601) 3.471 12.971 ( 2.112 0.000 -3.676) 4.240 13.134 ( -2.761 0.000 -0.512) 2.808 13.555 ( 5.236 0.000 -7.276) 8.965 13.630 ( -4.628 0.000 1.100) 4.757 14.014 ( -4.035 0.000 6.487) 7.640 14.324 ( 8.210 0.000 -13.210) 15.553 14.960 ( -9.638 0.000 8.036) 12.549 15.259 ( 3.922 0.000 -1.968) 4.388 15.542 ( 1.990 0.000 -3.525) 4.048 16.097 ( 24.333 0.000 30.097) 38.702 21.146 ( -2.369 0.000 2.597) 3.515 21.413 ( 0.137 0.000 -2.430) 2.434 21.722 ( 4.634 0.000 6.926) 8.333 22.539 ( 2.946 0.000 -4.673) 5.524 22.768 ( 3.829 0.000 3.950) 5.501 22.919 ( 7.106 0.000 5.701) 9.110 23.180 ( -12.094 0.000 -7.772) 14.376 23.196 ( -4.969 0.000 -1.895) 5.318 23.550 ( -3.994 0.000 1.211) 4.174 24.082 ( 3.946 0.000 3.855) 5.516 24.263 ( -3.809 0.000 -4.210) 5.677 24.503 ( 0.730 0.000 -0.448) 0.856 24.779 ( -3.311 0.000 0.782) 3.402 24.903 ( -2.020 0.000 0.388) 2.057 25.516 ( -15.896 0.000 -24.187) 28.943 25.610 ( 0.841 0.000 1.561) 1.773 ======================= Grid point 88 (36/136) ======================= q-point: ( 0.00 0.17 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 198 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.428 ( 11.897 15.083 7.942) 20.788 0.794 ( -5.152 13.997 21.506) 26.173 1.247 ( -1.310 29.985 24.662) 38.846 1.873 ( -3.848 -1.498 -5.673) 7.016 2.075 ( 3.378 -5.555 -7.146) 9.661 2.164 ( -1.981 3.391 -17.375) 17.813 2.246 ( -0.657 -0.973 -2.074) 2.384 2.579 ( 4.327 -0.868 3.808) 5.829 2.604 ( -6.402 1.100 -3.915) 7.584 2.796 ( -5.270 1.390 1.000) 5.541 2.928 ( 0.106 3.488 -7.694) 8.448 3.216 ( -2.482 -3.824 -3.158) 5.546 3.401 ( -5.199 3.621 -1.334) 6.475 3.593 ( 2.556 0.254 10.566) 10.874 3.707 ( 8.870 -0.562 2.319) 9.185 3.749 ( -1.536 -4.420 7.554) 8.886 3.807 ( 3.426 1.558 2.561) 4.552 4.069 ( -5.596 0.980 1.300) 5.828 4.327 ( 3.159 2.927 -15.616) 16.199 4.464 ( -0.864 4.147 1.900) 4.642 4.714 ( 4.588 3.654 -5.178) 7.824 4.751 ( -0.051 -3.604 -3.985) 5.373 4.940 ( 2.011 -2.727 -5.256) 6.253 5.140 ( 1.851 9.046 -13.095) 16.023 5.363 ( 4.759 -2.899 7.636) 9.453 5.641 ( 2.530 -8.830 4.529) 10.241 5.718 ( -5.476 -6.136 3.884) 9.096 6.015 ( -12.436 -10.217 -1.449) 16.160 6.246 ( 1.130 4.683 5.100) 7.015 6.514 ( -4.783 -10.833 7.547) 14.043 6.714 ( 2.121 1.281 2.222) 3.328 6.861 ( -2.536 3.957 0.790) 4.766 6.999 ( 18.768 -1.806 4.799) 19.456 7.411 ( -0.247 -8.832 -1.990) 9.057 7.504 ( 1.377 4.323 1.340) 4.731 7.899 ( -1.351 4.070 0.658) 4.339 8.010 ( 1.008 0.704 -7.594) 7.693 8.204 ( 6.886 -1.288 -8.025) 10.653 8.439 ( 4.988 -1.549 2.972) 6.009 8.523 ( -1.877 2.147 -0.487) 2.893 8.655 ( -11.471 -1.337 8.027) 14.064 8.734 ( 5.024 -1.175 5.884) 7.825 9.661 ( 0.502 5.006 -0.223) 5.036 9.901 ( -0.291 2.718 -3.145) 4.167 10.190 ( 2.436 0.754 0.078) 2.551 10.294 ( -0.358 -1.496 -0.122) 1.543 11.099 ( -0.535 0.591 -0.414) 0.898 11.327 ( 7.210 -5.252 1.262) 9.009 11.494 ( 3.686 -0.593 5.716) 6.827 11.895 ( 0.370 -1.112 -2.725) 2.967 12.799 ( 3.008 -0.744 -2.256) 3.833 12.921 ( -0.210 -1.249 0.379) 1.322 12.977 ( 1.458 0.166 -0.740) 1.643 13.296 ( -1.683 -11.287 -3.254) 11.866 13.632 ( 10.742 23.892 -16.600) 31.013 13.781 ( 2.246 9.634 -6.050) 11.596 14.035 ( -3.965 4.381 4.328) 7.324 14.312 ( 4.722 -0.704 -7.677) 9.040 14.831 ( -14.433 0.015 12.001) 18.771 15.299 ( -5.461 -6.927 4.181) 9.761 15.446 ( -2.387 -5.715 7.862) 10.008 15.773 ( -16.492 -6.712 2.402) 17.967 21.178 ( -1.905 4.581 2.382) 5.504 21.616 ( -0.296 4.981 -4.215) 6.532 22.001 ( -1.006 13.457 -12.943) 18.698 22.474 ( -1.396 -1.270 -8.157) 8.373 22.887 ( -3.404 5.387 -1.024) 6.455 22.967 ( 0.548 1.223 -0.170) 1.351 23.220 ( 7.740 1.405 3.020) 8.426 23.332 ( 10.296 -0.367 0.632) 10.322 23.472 ( -3.511 -1.729 -1.020) 4.044 23.811 ( -9.846 -6.664 -5.103) 12.938 24.219 ( 2.476 1.656 5.169) 5.965 24.449 ( 0.963 -5.010 4.857) 7.044 24.691 ( 0.325 -3.400 -2.029) 3.973 24.783 ( -0.005 -2.163 -0.958) 2.365 25.189 ( 5.172 -4.743 15.494) 17.009 25.583 ( -1.195 -3.913 1.354) 4.310 ======================= Grid point 89 (37/136) ======================= q-point: ( 0.09 0.17 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 198 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.866 ( 16.578 3.563 14.664) 22.418 0.996 ( 0.761 7.814 22.868) 24.178 1.666 ( 21.489 12.179 16.228) 29.554 1.875 ( 4.404 -3.110 -12.185) 13.324 2.077 ( 10.527 0.194 -8.004) 13.226 2.191 ( 19.031 -0.738 -5.249) 19.755 2.272 ( 4.582 1.241 -1.101) 4.873 2.486 ( 2.678 6.028 -6.778) 9.458 2.754 ( 7.784 -2.415 1.358) 8.263 2.788 ( 6.841 -0.488 2.328) 7.243 2.909 ( 4.647 -0.423 -5.665) 7.340 3.120 ( -3.066 1.335 -3.267) 4.675 3.330 ( -0.348 6.675 -3.490) 7.541 3.659 ( -0.748 1.901 4.022) 4.511 3.770 ( 0.729 0.044 -4.163) 4.226 3.872 ( 1.123 -6.958 9.866) 12.125 3.946 ( -9.638 0.662 2.558) 9.993 4.003 ( 12.247 -3.473 8.393) 15.248 4.300 ( 7.833 3.259 -9.421) 12.678 4.502 ( 2.079 2.016 3.012) 4.178 4.629 ( -7.090 1.062 -6.223) 9.493 4.738 ( 3.640 1.218 -4.507) 5.920 4.913 ( 1.905 -3.340 -6.965) 7.956 5.076 ( 4.568 7.578 -11.170) 14.250 5.542 ( 3.210 -2.790 6.421) 7.702 5.556 ( -10.177 -3.091 5.574) 12.008 5.714 ( 1.566 -10.962 4.432) 11.927 5.950 ( 2.839 -6.802 1.801) 7.588 6.256 ( -8.256 1.323 6.402) 10.531 6.390 ( -8.457 -1.642 2.094) 8.866 6.647 ( -14.203 1.484 0.015) 14.281 6.814 ( -2.556 4.036 2.632) 5.454 7.196 ( -2.956 -5.203 -2.711) 6.570 7.354 ( -0.618 -2.280 -0.487) 2.412 7.438 ( -6.425 5.311 -2.008) 8.574 7.831 ( -8.316 -0.184 -7.205) 11.004 7.958 ( 2.583 -1.132 -3.092) 4.185 8.322 ( 13.418 -0.982 -5.336) 14.474 8.495 ( 3.832 0.137 2.759) 4.724 8.573 ( -4.277 -0.636 6.106) 7.482 8.697 ( 12.479 -1.947 1.734) 12.748 8.940 ( 8.162 -4.296 3.358) 9.816 9.713 ( 5.209 3.843 -0.321) 6.481 9.923 ( 5.525 -0.012 -2.928) 6.253 10.201 ( -1.270 0.727 1.018) 1.783 10.310 ( 2.189 -1.953 -0.284) 2.947 11.092 ( 0.867 0.804 -1.126) 1.633 11.388 ( 2.019 0.180 -3.512) 4.055 11.596 ( -0.366 -9.463 5.616) 11.010 11.870 ( -0.967 -5.838 -1.460) 6.095 12.848 ( 5.480 0.225 -3.534) 6.525 12.927 ( -0.521 -1.487 1.935) 2.495 12.975 ( -1.464 3.229 -0.466) 3.576 13.246 ( 0.920 -11.502 -5.391) 12.736 13.565 ( -2.255 21.159 -7.922) 22.706 13.741 ( 0.693 11.410 -7.996) 13.950 14.006 ( -3.667 4.202 3.556) 6.614 14.354 ( 7.071 0.334 -4.246) 8.254 14.726 ( -10.542 -0.018 12.195) 16.120 15.141 ( -17.723 -10.080 8.355) 22.034 15.457 ( -1.637 3.572 3.902) 5.538 15.690 ( 2.863 -0.314 2.806) 4.021 21.168 ( -1.772 5.103 2.204) 5.834 21.561 ( -0.312 8.036 -4.018) 8.989 21.884 ( -4.439 1.983 2.335) 5.393 22.327 ( -5.508 -1.590 -8.796) 10.499 22.847 ( -1.244 1.609 2.521) 3.239 22.981 ( -4.816 -0.479 2.566) 5.478 23.255 ( -0.350 0.687 -2.422) 2.542 23.329 ( -2.320 0.612 -0.568) 2.466 23.513 ( 11.832 0.978 2.493) 12.132 23.899 ( 12.320 -2.506 -9.403) 15.700 24.300 ( 1.123 0.762 5.306) 5.477 24.475 ( -0.457 -0.679 -0.097) 0.825 24.697 ( 2.315 -1.824 -2.117) 3.629 24.810 ( 4.333 -0.716 -2.862) 5.242 25.463 ( 9.784 -10.174 7.152) 15.823 25.558 ( -2.213 -3.456 0.364) 4.120 ======================= Grid point 90 (38/136) ======================= q-point: ( 0.18 0.17 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 198 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.178 ( -1.918 4.462 21.396) 21.940 1.267 ( 12.223 4.472 12.297) 17.905 1.728 ( -3.259 -0.142 -15.285) 15.629 2.078 ( 15.479 -5.463 1.814) 16.515 2.152 ( 3.904 -4.980 -5.675) 8.500 2.366 ( 8.373 1.027 0.449) 8.448 2.483 ( 8.366 4.021 -6.713) 11.455 2.712 ( 17.855 4.199 -4.226) 18.823 2.845 ( 8.126 -2.639 5.058) 9.929 2.980 ( 13.972 0.564 0.681) 14.000 3.130 ( 18.684 1.056 -1.621) 18.784 3.154 ( 13.630 5.253 2.900) 14.892 3.325 ( 5.255 5.923 -3.505) 8.659 3.631 ( -4.904 0.865 1.861) 5.316 3.721 ( -1.062 2.834 -3.998) 5.015 3.812 ( -5.323 2.290 -0.357) 5.806 3.973 ( -0.859 -6.223 10.214) 11.991 4.308 ( 13.265 -4.613 2.591) 14.281 4.392 ( 0.160 1.664 -1.166) 2.038 4.405 ( 2.601 3.057 -9.122) 9.966 4.610 ( 4.731 1.595 4.243) 6.552 4.782 ( 5.617 -0.640 -2.161) 6.052 4.873 ( 2.539 -5.023 -8.208) 9.952 5.067 ( 4.151 5.305 -7.173) 9.840 5.409 ( -7.083 -1.727 4.344) 8.486 5.703 ( -0.991 -8.437 3.613) 9.231 5.781 ( 3.581 -4.836 2.343) 6.458 6.029 ( -1.210 -3.508 1.053) 3.857 6.090 ( -10.439 -1.367 4.338) 11.387 6.188 ( -19.104 3.269 2.600) 19.556 6.475 ( -2.133 4.145 4.358) 6.381 6.761 ( -6.272 -0.885 1.064) 6.423 7.040 ( -6.142 2.018 -6.241) 8.986 7.223 ( -7.604 4.195 -2.747) 9.109 7.445 ( 2.866 -2.064 0.079) 3.533 7.651 ( -3.739 -0.053 -6.564) 7.555 7.857 ( -6.975 -0.380 -5.584) 8.942 8.443 ( 4.093 -4.945 -4.317) 7.736 8.605 ( 1.635 1.115 11.732) 11.898 8.728 ( 15.194 -0.366 0.495) 15.207 8.880 ( 4.263 -4.843 1.729) 6.680 9.044 ( 4.028 0.248 1.218) 4.215 9.820 ( 6.536 1.540 0.749) 6.757 9.986 ( 3.092 4.407 -1.078) 5.490 10.199 ( -0.260 -1.604 1.900) 2.500 10.330 ( 0.871 -2.027 -2.250) 3.151 11.118 ( 4.274 0.165 -2.439) 4.924 11.358 ( -1.139 2.459 -3.227) 4.214 11.602 ( -0.524 -6.632 -0.880) 6.710 11.831 ( -4.146 -8.639 2.878) 10.005 12.879 ( 0.144 -2.129 -1.464) 2.588 12.928 ( -1.841 6.994 -1.551) 7.396 12.957 ( 1.292 -0.738 2.784) 3.156 13.212 ( 1.717 -7.389 -6.990) 10.315 13.470 ( -3.809 11.446 -0.002) 12.063 13.658 ( -0.689 10.367 -7.964) 13.091 13.978 ( -2.841 3.764 2.201) 5.204 14.454 ( 8.392 0.520 -3.512) 9.112 14.699 ( -5.143 -0.651 9.073) 10.450 14.923 ( -14.589 -6.964 4.752) 16.850 15.477 ( -0.031 3.647 2.345) 4.336 15.790 ( 2.103 -2.284 5.746) 6.531 21.163 ( -1.316 5.350 2.316) 5.976 21.542 ( 1.440 5.177 -2.470) 5.914 21.860 ( -3.560 -2.778 5.199) 6.886 22.134 ( -7.087 -1.961 -7.575) 10.557 22.848 ( -6.288 -0.167 1.420) 6.449 22.874 ( -3.941 0.582 3.110) 5.053 23.261 ( 0.256 0.501 -3.877) 3.918 23.357 ( 11.269 -0.233 -2.930) 11.646 23.787 ( 13.010 0.369 5.929) 14.302 23.966 ( 5.748 -0.884 -7.489) 9.482 24.365 ( 0.857 -0.029 3.509) 3.612 24.450 ( -1.025 2.107 -0.342) 2.368 24.737 ( 4.464 -0.234 -1.366) 4.674 24.857 ( 3.226 1.598 -1.285) 3.823 25.506 ( -2.252 -2.679 -0.608) 3.552 25.649 ( 6.506 -8.816 1.255) 11.028 ======================= Grid point 91 (39/136) ======================= q-point: ( 0.27 0.17 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 198 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.316 ( -4.596 4.139 18.850) 19.839 1.467 ( -1.163 4.550 -10.329) 11.346 1.606 ( 7.659 2.045 3.223) 8.557 2.192 ( 7.714 -4.672 -3.663) 9.734 2.287 ( 9.903 -3.678 -1.776) 10.712 2.481 ( 0.316 1.376 -2.366) 2.755 2.541 ( 7.995 1.971 2.957) 8.749 2.798 ( 4.273 -1.511 -2.910) 5.386 2.944 ( -0.572 -5.859 4.752) 7.565 3.131 ( 1.344 4.005 -5.900) 7.256 3.219 ( -2.877 3.209 0.891) 4.401 3.447 ( 7.385 -4.989 -5.115) 10.276 3.581 ( 6.708 4.487 -0.364) 8.078 3.633 ( -4.132 1.820 -0.650) 4.561 3.795 ( 24.717 5.137 6.998) 26.197 3.832 ( 6.781 4.604 -2.429) 8.549 4.064 ( 4.930 -5.908 6.023) 9.772 4.262 ( 8.165 6.000 -2.125) 10.353 4.501 ( 8.783 1.488 -3.624) 9.617 4.575 ( 7.827 -7.090 -0.323) 10.566 4.751 ( 4.077 -0.340 6.423) 7.615 4.822 ( 3.121 -2.528 -0.534) 4.052 4.930 ( 8.837 -0.799 -3.166) 9.421 5.066 ( 2.399 4.811 -5.258) 7.521 5.367 ( -3.132 -1.390 1.167) 3.620 5.572 ( -12.009 1.997 -1.692) 12.291 5.630 ( -16.266 -3.865 -2.451) 16.898 5.880 ( -5.974 0.143 1.526) 6.167 6.104 ( 5.478 -1.232 4.095) 6.949 6.159 ( 1.449 -0.925 4.439) 4.760 6.543 ( -0.443 1.712 8.268) 8.455 6.652 ( -5.720 -2.405 -0.153) 6.207 6.862 ( -7.515 4.628 -8.251) 12.082 7.122 ( 0.353 2.137 -3.461) 4.083 7.482 ( 3.017 -3.854 -0.649) 4.937 7.572 ( -2.250 -1.245 -3.930) 4.697 7.715 ( -0.405 2.343 -3.909) 4.576 8.426 ( -1.254 -8.323 -3.226) 9.014 8.727 ( -1.473 0.037 7.404) 7.550 8.843 ( -9.328 -0.754 5.543) 10.877 8.983 ( 12.659 -1.042 0.883) 12.732 9.166 ( 9.169 -0.277 -1.954) 9.379 9.939 ( 5.229 2.130 2.326) 6.106 10.012 ( 0.573 4.312 1.153) 4.500 10.216 ( -0.089 -1.577 1.073) 1.909 10.292 ( -1.401 -0.638 -4.168) 4.443 11.177 ( 5.248 -0.790 -3.979) 6.633 11.316 ( 0.906 4.381 -2.972) 5.371 11.586 ( 1.064 -5.096 -2.630) 5.832 11.791 ( -4.851 -6.736 5.025) 9.703 12.847 ( -2.020 -2.680 -0.561) 3.403 12.888 ( -1.852 6.112 0.388) 6.398 13.001 ( 0.858 -0.706 0.908) 1.435 13.162 ( -0.212 -0.348 -5.641) 5.656 13.425 ( -2.498 4.057 1.706) 5.060 13.586 ( 1.215 5.902 -7.108) 9.319 13.950 ( -2.099 3.726 0.825) 4.355 14.561 ( 6.484 0.542 -1.147) 6.607 14.694 ( -4.777 -1.684 0.388) 5.080 14.753 ( -9.054 -5.356 8.922) 13.794 15.493 ( -0.233 3.431 1.286) 3.671 15.846 ( -1.576 -2.788 4.416) 5.455 21.168 ( -0.877 5.252 2.664) 5.954 21.552 ( 2.181 2.859 -2.100) 4.164 21.845 ( -3.955 -4.827 4.445) 7.662 21.952 ( -6.299 -1.740 -5.270) 8.395 22.725 ( -6.426 0.218 -0.130) 6.431 22.841 ( -3.812 -1.016 0.452) 3.971 23.302 ( 6.773 2.664 -0.149) 7.280 23.536 ( 11.220 -0.365 -1.498) 11.326 23.947 ( 2.509 -1.286 -6.080) 6.702 24.049 ( 6.973 -3.200 4.870) 9.087 24.352 ( -1.011 1.504 -1.664) 2.460 24.494 ( 2.897 1.048 3.189) 4.434 24.820 ( 5.573 2.587 0.050) 6.144 24.894 ( 1.513 3.507 0.566) 3.861 25.472 ( -0.549 -2.403 -1.007) 2.662 25.736 ( 4.008 -6.966 -1.396) 8.157 ======================= Grid point 92 (40/136) ======================= q-point: ( 0.36 0.17 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 198 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.290 ( -0.211 6.778 -8.153) 10.604 1.438 ( -6.674 5.260 18.735) 20.573 1.779 ( 6.366 -0.403 2.287) 6.776 2.337 ( 11.225 -3.084 -2.723) 11.956 2.418 ( 4.709 -4.670 0.442) 6.646 2.466 ( 0.579 3.365 1.047) 3.571 2.695 ( 7.014 3.953 0.513) 8.068 2.829 ( -0.412 -3.246 -0.753) 3.358 2.900 ( -2.789 -3.781 -0.567) 4.733 3.091 ( 1.043 3.995 -7.801) 8.826 3.226 ( -1.399 -2.638 9.091) 9.569 3.405 ( -2.861 -3.784 0.158) 4.746 3.503 ( -7.351 1.313 -2.020) 7.735 3.658 ( 2.033 4.962 0.801) 5.422 3.815 ( 1.505 3.444 -5.113) 6.346 4.016 ( -1.048 -6.695 4.735) 8.267 4.285 ( 3.663 -1.848 1.263) 4.293 4.571 ( 7.687 4.863 0.691) 9.122 4.640 ( 12.162 -1.811 -2.924) 12.639 4.743 ( 14.654 4.271 0.534) 15.273 4.820 ( 6.517 3.861 -3.927) 8.532 4.877 ( 0.657 2.187 3.537) 4.210 5.030 ( 2.942 -0.081 -4.815) 5.644 5.080 ( 7.903 -2.455 7.211) 10.977 5.302 ( 1.308 -0.543 0.699) 1.580 5.382 ( -11.991 -0.789 -1.610) 12.124 5.484 ( 0.319 1.950 0.384) 2.013 5.869 ( 2.716 -1.805 0.239) 3.270 6.193 ( -2.538 -2.480 2.044) 4.095 6.225 ( 4.709 -2.629 0.849) 5.460 6.492 ( -7.841 2.614 -3.232) 8.874 6.578 ( -8.025 6.680 0.247) 10.445 6.670 ( -4.041 2.137 -0.831) 4.646 7.174 ( 7.301 -1.191 -1.338) 7.518 7.484 ( -2.061 -3.629 -2.452) 4.840 7.582 ( 8.342 -5.269 0.803) 9.899 7.798 ( 12.379 3.318 -2.381) 13.035 8.328 ( -6.543 -9.180 -4.116) 12.001 8.589 ( -15.944 1.656 2.453) 16.216 8.788 ( -7.138 -1.759 5.831) 9.383 9.167 ( 7.708 -0.518 0.515) 7.743 9.293 ( 7.568 -1.232 -1.757) 7.867 10.015 ( 0.658 2.864 0.428) 2.969 10.054 ( 2.939 1.244 2.374) 3.978 10.206 ( -1.368 -1.341 -0.250) 1.931 10.216 ( -2.141 1.896 -4.111) 5.008 11.207 ( 3.248 0.775 -3.469) 4.815 11.345 ( 4.954 4.330 -3.136) 7.289 11.595 ( 2.033 -4.659 -0.730) 5.136 11.760 ( -4.837 -3.671 5.480) 8.179 12.805 ( -1.508 -2.607 -1.544) 3.384 12.882 ( -0.159 2.826 1.959) 3.442 12.982 ( -1.854 1.574 -2.702) 3.636 13.115 ( -1.356 3.585 -0.497) 3.864 13.417 ( -0.634 0.498 2.073) 2.224 13.562 ( 3.001 1.021 -5.627) 6.459 13.925 ( -1.022 3.910 -0.254) 4.049 14.546 ( -7.797 -3.711 -1.920) 8.846 14.654 ( 4.158 0.087 1.139) 4.312 14.779 ( -2.044 -2.470 9.486) 10.013 15.491 ( -0.574 3.268 -0.274) 3.330 15.826 ( -3.345 -2.535 0.931) 4.299 21.182 ( -0.851 4.875 3.031) 5.803 21.574 ( 2.576 1.433 -1.915) 3.515 21.785 ( -4.021 -3.221 -1.956) 5.511 21.849 ( -3.844 -3.769 2.137) 5.792 22.634 ( -3.643 0.361 -0.632) 3.715 22.778 ( -2.659 -1.448 -0.590) 3.085 23.451 ( 7.355 3.555 3.284) 8.804 23.705 ( 9.250 -0.120 -0.108) 9.252 23.907 ( -0.218 -1.031 -5.032) 5.141 24.091 ( -3.034 -2.133 -1.170) 3.889 24.386 ( 4.054 -2.040 0.952) 4.637 24.558 ( 1.939 -1.797 0.173) 2.649 24.912 ( 3.070 5.056 1.503) 6.103 24.933 ( 1.769 5.984 3.250) 7.036 25.468 ( 0.856 -2.502 -0.756) 2.750 25.770 ( 2.684 -5.727 -2.874) 6.947 ======================= Grid point 93 (41/136) ======================= q-point: ( 0.45 0.17 -0.83) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 198 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.309 ( 5.617 6.741 2.530) 9.132 1.487 ( -8.724 5.482 18.192) 20.907 1.871 ( 2.778 -2.153 1.447) 3.801 2.431 ( -1.939 0.844 1.605) 2.655 2.470 ( 7.551 1.646 -6.697) 10.226 2.508 ( -0.899 -4.653 1.236) 4.897 2.728 ( -1.356 1.891 1.891) 2.999 2.828 ( 1.818 -0.823 -3.265) 3.827 2.907 ( 3.490 -5.036 -2.749) 6.716 3.028 ( 0.670 2.074 -5.072) 5.521 3.290 ( -1.476 1.877 7.995) 8.344 3.329 ( -4.153 -1.196 -0.329) 4.334 3.501 ( 1.888 -2.487 12.718) 13.095 3.688 ( 1.227 2.870 0.293) 3.135 3.867 ( 6.518 -6.587 -1.219) 9.347 4.022 ( -1.749 -5.562 4.176) 7.172 4.241 ( -8.783 8.342 2.636) 12.397 4.562 ( -0.131 7.905 -3.908) 8.820 4.573 ( 0.386 2.397 -3.533) 4.287 4.837 ( -0.093 6.797 -2.811) 7.356 4.956 ( 2.005 -2.005 -2.397) 3.714 5.038 ( 6.342 0.491 1.060) 6.449 5.149 ( -11.176 -1.158 -2.323) 11.473 5.210 ( 9.629 -5.252 5.923) 12.466 5.312 ( 18.042 -1.345 -2.583) 18.276 5.394 ( -1.306 -1.228 6.756) 6.990 5.499 ( 0.414 2.551 -1.943) 3.233 5.907 ( 0.597 -1.360 -1.943) 2.446 6.074 ( -9.756 -4.436 -2.545) 11.015 6.282 ( 2.621 -1.189 -0.769) 2.979 6.373 ( -3.452 5.705 0.199) 6.671 6.400 ( -2.312 8.879 -6.363) 11.165 6.689 ( 0.228 2.805 7.079) 7.617 7.277 ( 3.314 -1.936 1.134) 4.002 7.474 ( 2.352 -8.500 -1.294) 8.914 7.779 ( 14.318 -3.101 0.183) 14.651 8.068 ( 19.127 1.110 -0.986) 19.185 8.112 ( -13.725 -6.320 -3.103) 15.426 8.311 ( -16.623 3.697 -0.505) 17.037 8.660 ( -10.193 -4.657 -0.516) 11.218 9.260 ( 2.861 -0.182 0.381) 2.892 9.386 ( 3.814 -1.898 -0.004) 4.260 9.987 ( -1.719 0.453 -3.368) 3.808 10.087 ( -1.675 2.501 -1.742) 3.478 10.176 ( -0.470 -1.017 -1.272) 1.695 10.184 ( 1.930 2.007 -0.193) 2.791 11.243 ( 3.266 2.485 -0.590) 4.146 11.394 ( 4.180 3.572 -3.771) 6.667 11.640 ( 1.596 -4.322 2.765) 5.374 11.725 ( -4.821 -1.489 4.531) 6.781 12.773 ( -0.069 -1.709 -1.903) 2.559 12.873 ( -2.428 -0.344 -1.640) 2.950 12.963 ( 2.456 5.222 1.447) 5.949 13.093 ( -1.343 2.302 0.278) 2.680 13.433 ( -0.869 0.175 3.109) 3.233 13.577 ( 4.408 -2.033 -4.220) 6.432 13.912 ( -0.033 3.871 -0.597) 3.917 14.408 ( -4.524 -3.294 -4.458) 7.155 14.733 ( 1.152 0.106 6.101) 6.210 14.842 ( -1.091 -2.432 8.624) 9.026 15.467 ( -0.859 3.148 -2.192) 3.930 15.766 ( -2.314 -2.082 -2.553) 4.026 21.194 ( -1.304 4.301 3.251) 5.547 21.595 ( 1.654 0.795 -2.281) 2.927 21.735 ( 0.431 -2.216 -0.292) 2.277 21.814 ( -2.997 -4.702 1.988) 5.919 22.590 ( -0.823 0.701 -0.386) 1.148 22.748 ( -0.511 -1.428 -0.193) 1.528 23.563 ( 0.578 3.734 2.733) 4.663 23.835 ( 3.132 0.381 -2.796) 4.215 23.872 ( 3.207 -1.566 1.002) 3.707 24.030 ( -0.521 -0.620 -1.213) 1.458 24.429 ( 0.409 -3.987 -1.242) 4.196 24.553 ( -0.793 -2.686 -3.321) 4.344 24.959 ( 0.338 5.669 3.377) 6.608 25.001 ( 0.646 6.617 4.307) 7.922 25.476 ( 0.478 -2.502 -0.505) 2.596 25.780 ( 2.166 -5.334 -3.491) 6.733 ======================= Grid point 94 (42/136) ======================= q-point: (-0.45 0.17 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 198 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.406 ( -9.067 2.222 13.005) 16.009 1.573 ( 5.637 6.759 11.952) 14.842 1.895 ( -4.561 2.037 2.780) 5.717 2.338 ( -3.633 0.372 -3.803) 5.273 2.461 ( 0.603 -2.558 -7.275) 7.735 2.530 ( 0.389 -6.830 5.557) 8.814 2.719 ( -5.540 -3.560 -6.574) 9.305 2.795 ( 4.520 3.462 2.811) 6.350 2.985 ( 4.525 0.775 2.211) 5.096 3.011 ( -0.149 2.023 -1.468) 2.504 3.262 ( -1.783 3.453 5.296) 6.569 3.441 ( 4.295 0.481 3.982) 5.877 3.614 ( -0.141 -4.837 5.881) 7.616 3.766 ( 4.967 -0.910 5.533) 7.491 3.913 ( -4.860 -5.338 1.882) 7.461 4.017 ( -1.325 2.344 4.039) 4.854 4.239 ( 8.200 -2.492 3.708) 9.338 4.529 ( -1.682 2.934 -4.420) 5.566 4.594 ( 1.030 4.456 -8.314) 9.488 4.739 ( -5.295 6.838 -6.579) 10.866 4.920 ( -7.298 -1.221 1.419) 7.534 4.980 ( 1.943 -0.545 0.389) 2.055 5.082 ( -6.218 6.531 2.575) 9.378 5.315 ( 0.319 -0.059 1.136) 1.181 5.370 ( -0.927 -1.067 -2.587) 2.948 5.430 ( -8.819 1.101 1.911) 9.090 5.446 ( -6.565 0.299 4.633) 8.040 5.856 ( 2.805 1.408 -3.696) 4.849 5.974 ( 3.620 -7.647 -4.386) 9.530 6.259 ( -3.674 -2.545 -5.152) 6.821 6.317 ( -0.825 5.808 -2.420) 6.346 6.465 ( 6.607 2.196 1.329) 7.089 6.810 ( 5.088 3.654 8.408) 10.485 7.320 ( -0.258 -0.555 2.112) 2.199 7.519 ( 4.297 -8.142 -0.052) 9.206 7.804 ( -14.067 -6.660 -0.965) 15.594 7.991 ( -10.085 3.728 -1.492) 10.855 8.128 ( 12.688 1.858 0.277) 12.826 8.379 ( 15.649 -0.935 -2.567) 15.886 8.459 ( -7.082 -6.093 -5.664) 10.925 9.273 ( -2.522 -0.537 1.329) 2.901 9.410 ( -1.628 -2.320 0.454) 2.870 9.927 ( -0.334 2.026 -3.463) 4.026 10.000 ( -3.901 2.511 -3.805) 6.000 10.158 ( 0.422 -1.150 -1.878) 2.243 10.238 ( 3.449 -0.099 -1.054) 3.608 11.298 ( 2.247 3.568 1.213) 4.387 11.408 ( 1.935 2.030 -4.339) 5.166 11.640 ( -6.722 -2.324 5.205) 8.814 11.735 ( 1.886 -2.525 3.289) 4.555 12.770 ( 1.764 0.413 -1.608) 2.423 12.817 ( -1.500 1.148 -1.821) 2.624 13.020 ( -0.463 0.711 1.178) 1.452 13.101 ( 4.122 2.824 0.154) 4.999 13.441 ( -1.552 0.888 2.879) 3.389 13.633 ( 5.220 -2.582 -1.643) 6.051 13.911 ( 0.186 3.206 0.073) 3.212 14.307 ( -0.696 -2.581 -6.936) 7.434 14.817 ( -0.716 -0.166 10.629) 10.654 14.903 ( -1.547 -2.425 8.448) 8.924 15.421 ( -0.832 3.233 -4.159) 5.333 15.706 ( -0.299 -1.828 -5.035) 5.365 21.199 ( -1.852 3.704 3.410) 5.364 21.585 ( 0.358 1.300 -2.470) 2.814 21.757 ( -1.599 -5.117 0.797) 5.420 21.824 ( 5.064 -1.817 1.723) 5.649 22.598 ( 1.667 1.068 0.395) 2.019 22.748 ( 0.832 -1.107 -0.909) 1.656 23.525 ( -5.515 3.151 1.407) 6.505 23.798 ( -2.415 -0.293 -1.049) 2.649 23.993 ( 5.631 -0.871 2.595) 6.261 24.056 ( 2.399 -1.836 -0.331) 3.039 24.388 ( -2.147 -1.771 -1.931) 3.387 24.469 ( -3.668 -1.046 -5.828) 6.966 24.983 ( -1.690 5.067 3.545) 6.411 25.028 ( -2.444 5.091 4.349) 7.127 25.471 ( -0.326 -2.372 -0.454) 2.437 25.779 ( 1.640 -6.080 -3.424) 7.168 ======================= Grid point 95 (43/136) ======================= q-point: (-0.36 0.17 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 198 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.294 ( -15.232 3.594 9.014) 18.060 1.669 ( -14.923 9.170 -0.396) 17.520 1.847 ( 4.823 1.093 10.777) 11.857 2.333 ( 0.607 -5.345 -3.541) 6.440 2.371 ( -3.045 -4.265 0.180) 5.244 2.576 ( -5.118 -6.943 2.525) 8.988 2.646 ( 5.185 0.695 4.847) 7.132 2.883 ( 2.706 2.206 0.241) 3.500 2.993 ( 0.207 2.067 -0.808) 2.229 3.088 ( 4.472 3.866 2.242) 6.323 3.300 ( -0.160 1.979 3.625) 4.133 3.489 ( 1.188 -0.626 -1.660) 2.135 3.652 ( -1.846 -2.134 2.392) 3.699 3.770 ( -6.420 -2.970 -1.585) 7.249 3.917 ( -1.566 -2.097 6.994) 7.467 4.090 ( 1.376 3.003 5.895) 6.757 4.241 ( -23.508 3.193 -5.418) 24.334 4.356 ( -6.951 0.845 -0.855) 7.055 4.459 ( -1.866 -3.107 -1.135) 3.798 4.655 ( 2.112 1.724 -4.554) 5.308 4.781 ( -9.950 5.840 -0.122) 11.538 4.890 ( -10.708 4.013 -0.682) 11.456 5.133 ( 4.587 2.253 -1.036) 5.214 5.211 ( -7.168 2.412 1.981) 7.818 5.351 ( 6.873 1.394 3.369) 7.781 5.401 ( 4.378 -0.598 -1.658) 4.720 5.482 ( 2.299 0.876 4.037) 4.727 5.848 ( -1.022 -5.240 0.646) 5.377 6.032 ( 0.759 -4.899 -2.065) 5.370 6.073 ( -7.763 -5.434 -8.068) 12.446 6.302 ( 1.612 7.329 -1.401) 7.634 6.537 ( 2.972 -0.151 -3.261) 4.414 7.005 ( 6.962 4.086 8.672) 11.848 7.290 ( -3.102 -0.006 -0.910) 3.233 7.525 ( -6.773 -2.961 0.272) 7.397 7.746 ( 7.504 -5.839 5.309) 10.890 7.793 ( -6.827 3.747 -1.112) 7.867 8.213 ( -4.179 -5.240 -12.181) 13.903 8.436 ( 15.988 -0.197 -1.306) 16.043 8.617 ( 8.602 -2.418 2.002) 9.157 9.192 ( -8.729 -1.229 1.885) 9.014 9.334 ( -6.967 -2.546 -0.442) 7.431 9.905 ( -2.186 2.737 -3.146) 4.708 9.932 ( 2.533 2.981 -0.410) 3.933 10.147 ( 0.271 -0.540 -2.254) 2.334 10.268 ( 2.698 -2.453 -3.558) 5.095 11.332 ( 0.464 4.300 0.773) 4.394 11.368 ( -1.501 0.610 -4.930) 5.190 11.567 ( -5.950 -3.247 3.407) 7.586 11.801 ( 1.158 -3.092 4.156) 5.308 12.787 ( 0.502 2.007 -1.688) 2.670 12.804 ( 2.835 0.875 -1.062) 3.152 12.991 ( -1.404 1.735 -1.052) 2.468 13.201 ( 5.673 0.489 -0.153) 5.696 13.442 ( -0.865 1.302 1.861) 2.430 13.718 ( 4.608 0.083 1.279) 4.783 13.917 ( -0.337 1.514 1.432) 2.111 14.252 ( 3.705 -1.942 -9.517) 10.395 14.921 ( -1.981 -0.824 15.759) 15.904 14.951 ( -2.509 -2.328 8.444) 9.112 15.363 ( -0.138 3.543 -5.583) 6.614 15.655 ( 0.764 -1.657 -6.367) 6.624 21.199 ( -2.138 3.294 3.589) 5.320 21.567 ( 0.298 2.357 -2.085) 3.161 21.722 ( -1.319 -3.396 -1.581) 3.971 21.980 ( 9.021 -2.591 3.709) 10.092 22.650 ( 3.259 1.044 1.006) 3.567 22.746 ( 0.980 -0.473 -3.002) 3.193 23.451 ( -4.913 2.224 3.039) 6.191 23.741 ( -4.802 -1.298 1.779) 5.283 24.019 ( -5.142 -1.224 -3.069) 6.113 24.104 ( 4.432 -1.134 1.498) 4.814 24.319 ( -5.915 1.615 -7.215) 9.469 24.374 ( 1.589 0.227 0.912) 1.846 24.968 ( -3.940 3.226 3.362) 6.102 25.005 ( -4.124 4.024 3.314) 6.646 25.466 ( 0.255 -2.569 -0.073) 2.582 25.763 ( -0.006 -8.260 -3.223) 8.867 ======================= Grid point 96 (44/136) ======================= q-point: (-0.27 0.17 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 198 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.073 ( -16.813 6.835 3.122) 18.415 1.339 ( -19.632 12.130 -1.220) 23.110 2.008 ( 0.023 -4.423 7.092) 8.359 2.215 ( -6.697 -1.140 0.710) 6.830 2.358 ( -5.280 -2.866 3.658) 7.034 2.544 ( -1.683 -5.081 2.421) 5.875 2.835 ( 4.375 -0.702 4.618) 6.401 2.892 ( 2.435 2.148 1.944) 3.784 2.984 ( -3.100 -0.145 -2.166) 3.784 3.170 ( 3.005 1.486 -0.465) 3.385 3.280 ( -8.877 1.904 0.400) 9.087 3.397 ( -10.079 5.597 -4.336) 12.317 3.519 ( -9.366 -0.979 -2.796) 9.824 3.661 ( -4.576 4.100 -3.777) 7.212 3.723 ( -25.038 0.321 2.676) 25.183 3.893 ( -12.057 -0.678 7.671) 14.307 4.029 ( -9.608 -0.468 7.114) 11.964 4.327 ( -3.833 -2.561 -3.066) 5.536 4.404 ( 3.706 2.519 1.359) 4.683 4.577 ( -5.299 1.112 -0.669) 5.455 4.665 ( -2.338 6.366 -4.334) 8.048 4.797 ( -2.086 3.258 -2.833) 4.794 5.073 ( -3.462 -1.146 -4.821) 6.045 5.159 ( -3.463 1.487 4.001) 5.496 5.459 ( 3.484 -2.865 0.824) 4.585 5.561 ( 0.315 -5.574 2.830) 6.259 5.628 ( 15.926 2.211 0.043) 16.079 5.802 ( -6.919 -4.496 -3.884) 9.120 5.932 ( 4.800 -1.241 1.000) 5.058 6.008 ( -0.300 -8.531 -1.897) 8.744 6.359 ( 5.477 9.222 0.606) 10.743 6.533 ( 2.819 4.300 -4.823) 7.050 7.202 ( 5.086 0.313 8.517) 9.925 7.241 ( -0.119 1.698 -1.409) 2.210 7.435 ( -2.492 0.005 -1.220) 2.775 7.750 ( 2.737 2.426 -0.509) 3.692 7.915 ( 4.244 -8.577 -4.321) 10.500 8.087 ( 3.944 -0.301 -4.212) 5.778 8.659 ( 10.309 -3.438 -1.701) 11.000 8.718 ( -0.127 -1.957 3.859) 4.329 9.024 ( -12.731 -1.443 2.846) 13.125 9.180 ( -9.682 -2.763 -0.594) 10.086 9.856 ( -1.306 3.350 -0.760) 3.675 9.995 ( 2.788 1.480 1.081) 3.336 10.114 ( -0.904 0.371 -2.409) 2.600 10.267 ( 1.990 -3.634 -4.721) 6.281 11.265 ( -4.228 0.441 -4.020) 5.851 11.344 ( 1.140 4.423 -1.090) 4.696 11.494 ( -4.738 -5.667 -0.798) 7.430 11.852 ( 0.218 -3.309 4.039) 5.226 12.784 ( 1.527 -0.057 -2.709) 3.110 12.845 ( 2.107 1.263 -0.373) 2.485 12.977 ( 1.463 3.924 -1.289) 4.382 13.271 ( 3.982 0.937 -2.065) 4.582 13.449 ( 0.277 0.531 0.480) 0.768 13.796 ( 1.787 5.797 1.800) 6.328 13.938 ( 0.632 -1.369 3.386) 3.706 14.248 ( 7.390 -1.637 -11.245) 13.555 14.979 ( -3.591 -2.238 8.033) 9.079 15.066 ( -2.569 -2.814 22.697) 23.014 15.314 ( 0.984 4.001 -5.759) 7.081 15.610 ( 1.187 -0.957 -5.907) 6.101 21.197 ( -2.189 3.163 3.597) 5.266 21.562 ( 1.267 4.347 -0.993) 4.635 21.688 ( 0.076 -0.202 -3.221) 3.228 22.191 ( 10.611 -3.217 4.298) 11.891 22.718 ( 2.683 0.216 -1.114) 2.913 22.729 ( 2.085 0.462 -2.190) 3.059 23.411 ( -3.922 1.051 3.018) 5.059 23.648 ( -9.062 -3.324 2.524) 9.977 23.864 ( -9.367 4.097 -1.288) 10.305 24.109 ( -0.334 2.541 -11.500) 11.782 24.218 ( -0.543 -0.261 4.475) 4.515 24.425 ( 2.214 -0.983 1.082) 2.653 24.911 ( -5.922 1.200 2.965) 6.731 24.969 ( -3.046 3.571 2.269) 5.213 25.484 ( 1.504 -3.295 0.648) 3.680 25.703 ( -3.544 -12.733 -3.985) 13.805 ======================= Grid point 97 (45/136) ======================= q-point: (-0.18 0.17 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 198 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.798 ( -15.788 12.890 -0.621) 20.391 1.016 ( -17.606 16.700 2.677) 24.413 1.848 ( -26.348 2.799 5.030) 26.969 2.185 ( -3.187 -2.655 5.900) 7.212 2.275 ( -5.544 -1.457 -1.474) 5.919 2.524 ( -1.524 -1.691 -2.272) 3.216 2.666 ( -21.265 -1.582 0.815) 21.340 2.768 ( -7.978 1.126 -3.708) 8.869 3.024 ( -28.581 3.071 -3.125) 28.915 3.071 ( -3.822 3.240 6.145) 7.929 3.111 ( -3.527 4.210 0.752) 5.544 3.211 ( 0.130 0.593 0.883) 1.072 3.345 ( -1.082 5.516 0.719) 5.667 3.458 ( -0.189 -0.589 -0.621) 0.877 3.666 ( -4.579 -3.495 2.352) 6.222 3.798 ( -7.630 0.989 2.249) 8.016 3.937 ( -6.001 -3.815 -0.073) 7.112 4.156 ( -8.463 0.671 1.246) 8.580 4.483 ( 2.460 -1.508 -1.367) 3.193 4.551 ( 1.480 -0.360 -3.195) 3.540 4.577 ( -0.831 9.075 -2.842) 9.546 4.742 ( -1.209 1.550 -2.424) 3.122 4.993 ( 0.893 0.426 -6.308) 6.386 5.168 ( -0.781 0.543 5.641) 5.720 5.422 ( -6.568 -7.439 -6.696) 11.971 5.604 ( -4.099 0.608 -4.079) 5.815 5.630 ( 7.714 -1.919 7.114) 10.667 5.858 ( -3.994 -1.518 0.410) 4.292 6.003 ( 10.104 -0.790 5.163) 11.374 6.153 ( 9.805 -6.660 0.273) 11.856 6.467 ( 9.729 6.860 -3.263) 12.344 6.631 ( 8.784 6.762 3.260) 11.554 7.227 ( -1.445 0.794 0.692) 1.788 7.289 ( 1.386 -3.749 -4.838) 6.276 7.457 ( 3.688 1.055 3.297) 5.058 7.845 ( 7.342 0.046 -1.171) 7.435 7.877 ( 8.251 -3.346 -13.594) 16.250 8.164 ( -0.627 -0.497 2.576) 2.697 8.680 ( -6.811 -1.684 3.298) 7.753 8.733 ( -0.929 -4.491 -3.403) 5.711 8.850 ( -10.822 -3.586 5.423) 12.625 9.005 ( -10.655 -3.128 0.830) 11.136 9.816 ( -4.518 4.869 0.300) 6.649 9.993 ( -1.360 -2.436 -0.643) 2.863 10.128 ( 3.134 1.521 -0.884) 3.594 10.253 ( 1.404 -2.904 -2.865) 4.314 11.167 ( -2.793 0.385 -2.862) 4.018 11.359 ( 0.243 -0.060 -5.011) 5.017 11.371 ( -3.811 -0.930 -2.203) 4.499 11.889 ( -0.022 -2.637 2.977) 3.977 12.781 ( 1.523 -0.799 -3.036) 3.490 12.874 ( 2.073 -0.894 -0.324) 2.281 12.996 ( 1.038 2.554 -1.339) 3.065 13.321 ( 5.145 3.474 -3.226) 6.996 13.459 ( 2.111 2.621 -1.910) 3.870 13.809 ( 0.078 8.118 -1.090) 8.191 14.001 ( 0.720 0.009 5.426) 5.474 14.277 ( 8.700 -1.771 -11.830) 14.791 14.980 ( -5.214 -2.113 7.515) 9.387 15.273 ( -2.054 -8.849 25.130) 26.721 15.291 ( 1.891 3.318 -3.201) 4.983 15.613 ( 3.681 0.939 1.865) 4.232 21.193 ( -2.135 3.392 3.210) 5.135 21.616 ( 4.134 3.739 2.855) 6.262 21.670 ( 4.074 9.244 -5.418) 11.464 22.408 ( 9.744 -3.130 2.419) 10.516 22.712 ( 2.312 0.707 -2.579) 3.535 22.799 ( 4.293 -0.042 1.025) 4.414 23.338 ( -6.442 0.574 -0.936) 6.535 23.481 ( -11.189 -1.545 -1.170) 11.356 23.673 ( -10.028 5.009 -1.333) 11.289 24.051 ( 3.135 3.848 -3.425) 6.030 24.264 ( 0.180 -0.727 3.643) 3.719 24.453 ( -0.024 -3.341 0.134) 3.344 24.837 ( -5.208 0.223 1.864) 5.536 24.943 ( -2.394 2.362 1.802) 3.816 25.506 ( -4.764 -12.830 -4.875) 14.528 25.547 ( -5.292 -11.953 -1.166) 13.124 ======================= Grid point 98 (46/136) ======================= q-point: (-0.09 0.17 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 198 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.535 ( -12.166 20.062 -5.012) 23.991 0.812 ( -14.249 19.657 11.757) 26.975 1.344 ( -34.642 21.685 16.972) 44.253 2.108 ( -11.749 -0.968 -0.721) 11.810 2.156 ( -4.778 -8.406 -2.458) 9.976 2.353 ( -15.047 -0.012 -6.292) 16.309 2.431 ( -3.815 4.022 -14.316) 15.352 2.513 ( -5.288 -3.066 4.326) 7.489 2.747 ( -4.634 2.970 -2.948) 6.244 2.915 ( -12.238 6.679 5.462) 14.973 3.063 ( -3.763 4.075 -8.889) 10.478 3.252 ( -0.084 -4.847 1.380) 5.040 3.391 ( 2.632 2.532 9.653) 10.321 3.524 ( -5.167 0.849 0.003) 5.236 3.562 ( -0.735 -2.251 10.539) 10.802 3.736 ( 2.250 0.742 -4.290) 4.901 3.820 ( -6.428 -2.290 -0.025) 6.824 4.107 ( -1.630 0.993 2.046) 2.798 4.458 ( 1.525 2.609 -15.202) 15.499 4.485 ( -1.455 3.191 -1.104) 3.676 4.652 ( 6.567 7.346 -0.152) 9.854 4.729 ( 3.723 -4.690 -3.335) 6.854 4.957 ( 0.938 0.023 -4.835) 4.925 5.229 ( 1.155 1.808 1.965) 2.909 5.263 ( -2.747 -4.917 -3.031) 6.396 5.546 ( 1.268 -2.587 1.277) 3.151 5.761 ( -3.398 -0.911 0.862) 3.622 5.962 ( 13.121 -4.084 16.714) 21.638 6.177 ( 3.781 3.210 5.874) 7.688 6.256 ( 4.312 -4.343 -0.341) 6.130 6.661 ( 9.617 3.482 3.169) 10.707 6.792 ( 5.675 3.059 1.347) 6.586 7.066 ( -11.792 -5.169 -10.260) 16.463 7.329 ( 6.600 -0.810 -1.230) 6.762 7.510 ( -0.724 -2.802 0.526) 2.941 7.900 ( 10.130 -3.591 -11.270) 15.573 8.023 ( 4.836 2.249 0.662) 5.374 8.095 ( 0.471 4.684 -1.421) 4.917 8.533 ( -11.691 -3.588 -1.129) 12.282 8.631 ( -6.782 -0.506 -1.007) 6.875 8.730 ( -8.295 -3.376 5.121) 10.317 8.820 ( -13.817 -3.758 4.184) 14.918 9.712 ( -5.575 5.064 -0.526) 7.550 9.966 ( -2.870 1.879 -0.617) 3.485 10.148 ( 2.677 -0.359 -2.695) 3.816 10.283 ( 1.998 -1.634 0.799) 2.702 11.117 ( -0.932 0.344 -1.148) 1.518 11.233 ( -1.975 -1.939 -0.167) 2.773 11.410 ( 4.118 4.920 -1.183) 6.524 11.905 ( -0.079 -1.157 0.411) 1.230 12.783 ( 1.540 -1.457 -1.962) 2.888 12.910 ( 2.329 -2.033 -0.837) 3.203 12.977 ( -0.983 0.365 -1.051) 1.484 13.346 ( -0.130 -7.271 -2.309) 7.630 13.531 ( 13.058 18.333 -9.793) 24.546 13.796 ( 1.353 8.752 -3.710) 9.602 14.043 ( -2.068 2.836 5.259) 6.322 14.306 ( 7.471 -1.752 -11.446) 13.780 14.939 ( -8.875 -1.496 8.358) 12.283 15.300 ( 1.958 2.701 -1.534) 3.672 15.403 ( -2.343 -11.973 9.568) 15.504 15.828 ( 3.229 -12.980 18.424) 22.768 21.186 ( -1.960 3.992 2.730) 5.219 21.640 ( 0.520 -0.302 -1.869) 1.963 21.888 ( 22.823 22.420 -5.165) 32.407 22.520 ( 3.648 -1.992 -4.419) 6.067 22.797 ( 8.146 2.622 2.000) 8.788 22.928 ( 9.142 0.636 5.899) 10.898 23.190 ( -10.380 1.193 -4.845) 11.517 23.231 ( -7.221 2.877 -5.503) 9.524 23.547 ( -5.391 0.261 1.087) 5.506 24.119 ( 3.706 3.221 3.344) 5.941 24.247 ( -7.223 -2.428 -7.281) 10.539 24.413 ( -5.928 -9.448 5.073) 12.253 24.766 ( -4.566 -1.433 -0.613) 4.824 24.883 ( -7.661 -4.671 -2.745) 9.383 25.155 ( -17.569 -13.194 1.931) 22.056 25.571 ( 0.612 -4.303 1.979) 4.775 ======================= Grid point 99 (47/136) ======================= q-point: ( 0.00 0.33 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 198 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.813 ( 1.479 20.534 -2.340) 20.720 1.079 ( -5.916 13.377 12.187) 19.038 1.602 ( -4.259 -1.074 9.316) 10.300 1.803 ( -4.685 -11.569 1.200) 12.539 2.005 ( 5.811 11.918 -0.375) 13.264 2.253 ( 3.890 2.133 -8.089) 9.226 2.289 ( -3.410 4.776 -12.388) 13.708 2.567 ( -2.248 -1.003 -0.620) 2.538 2.672 ( -3.623 6.576 4.109) 8.559 2.862 ( -0.949 5.487 -6.862) 8.837 3.003 ( -2.872 4.210 -11.004) 12.127 3.222 ( -0.347 5.129 0.803) 5.203 3.413 ( 0.866 -11.891 10.536) 15.910 3.522 ( -1.641 5.563 1.590) 6.014 3.663 ( 3.732 -6.640 1.955) 7.864 3.751 ( -2.312 3.132 4.255) 5.767 3.835 ( 4.352 0.321 3.653) 5.691 3.971 ( -5.505 -10.153 2.250) 11.766 4.366 ( 5.170 2.452 -10.642) 12.083 4.523 ( 1.368 -1.111 -0.338) 1.794 4.668 ( 2.632 -0.411 -5.010) 5.674 4.757 ( 2.278 0.562 -6.099) 6.534 4.917 ( -1.416 0.710 -1.472) 2.162 5.185 ( 3.628 -10.346 3.639) 11.552 5.365 ( 2.957 9.235 -8.128) 12.653 5.552 ( 0.362 0.214 0.225) 0.477 5.616 ( -5.772 -4.124 1.628) 7.278 5.809 ( -3.652 -10.299 -2.111) 11.129 6.304 ( -0.427 1.292 4.290) 4.501 6.377 ( -3.897 -3.914 7.298) 9.153 6.806 ( -1.620 7.394 2.736) 8.049 6.940 ( 0.963 3.685 0.632) 3.861 6.992 ( 8.609 0.039 3.327) 9.229 7.219 ( 2.196 -10.234 -0.586) 10.483 7.623 ( 2.362 7.471 -0.811) 7.877 7.905 ( 2.526 -4.021 -3.401) 5.841 8.051 ( -2.083 3.278 -5.217) 6.503 8.168 ( 3.312 -2.384 -6.466) 7.646 8.439 ( 1.636 1.864 5.777) 6.287 8.575 ( -2.336 3.053 0.725) 3.912 8.593 ( -8.041 -4.268 8.831) 12.683 8.696 ( 2.221 -2.554 4.447) 5.588 9.785 ( -0.309 7.005 -1.268) 7.125 9.952 ( -2.773 1.191 -4.849) 5.712 10.177 ( 2.937 -0.718 3.480) 4.610 10.254 ( -0.194 -2.565 1.012) 2.765 11.128 ( 0.258 2.190 -0.375) 2.236 11.239 ( 3.833 -3.560 2.240) 5.690 11.552 ( -0.036 5.062 1.195) 5.202 11.810 ( -1.389 -6.361 -1.037) 6.593 12.809 ( 4.510 1.293 -3.802) 6.039 12.893 ( 1.518 -1.870 -1.068) 2.635 12.977 ( 1.211 0.309 -0.720) 1.442 13.103 ( -3.450 -7.464 -1.481) 8.355 13.917 ( 1.404 6.040 -5.101) 8.030 13.933 ( 9.103 6.209 -10.515) 15.231 14.153 ( 1.410 6.446 -0.769) 6.643 14.292 ( 5.335 -1.413 -5.271) 7.631 14.848 ( -12.276 2.126 10.363) 16.205 15.085 ( -11.879 -10.237 10.802) 19.042 15.469 ( 1.902 4.132 2.825) 5.355 15.666 ( -2.799 -5.108 1.166) 5.940 21.299 ( -1.504 7.373 3.097) 8.137 21.584 ( -0.557 -5.343 2.718) 6.020 22.231 ( -1.598 8.550 -14.451) 16.866 22.433 ( -1.241 -2.917 -8.500) 9.071 22.988 ( -4.384 3.700 -3.911) 6.944 22.998 ( -3.633 1.746 -0.816) 4.113 23.262 ( 14.109 2.698 0.645) 14.379 23.327 ( 12.815 -0.117 -0.288) 12.819 23.443 ( -7.680 -0.397 0.212) 7.693 23.649 ( -8.610 -8.762 0.493) 12.294 24.262 ( 1.556 2.431 4.414) 5.274 24.360 ( 1.423 -3.420 6.633) 7.597 24.662 ( 0.495 0.390 -3.017) 3.082 24.739 ( -0.492 -2.397 -0.466) 2.491 25.211 ( 1.112 4.847 8.659) 9.986 25.475 ( -0.806 -6.685 2.466) 7.171 ======================= Grid point 100 (48/136) ======================= q-point: ( 0.09 0.33 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 198 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.016 ( 15.555 10.481 4.756) 19.350 1.169 ( 1.918 7.866 11.823) 14.330 1.718 ( 7.470 -4.713 5.333) 10.317 1.787 ( 2.318 -6.264 -2.266) 7.053 2.127 ( 2.906 3.618 -11.187) 12.111 2.222 ( 12.144 1.766 -7.941) 14.617 2.365 ( 12.378 7.436 4.708) 15.187 2.553 ( 8.183 -1.732 3.342) 9.008 2.776 ( 2.214 5.822 -10.030) 11.806 2.846 ( 11.807 5.091 -0.699) 12.877 2.923 ( 6.336 5.412 -4.406) 9.426 3.219 ( 0.345 9.207 0.866) 9.254 3.480 ( -0.234 7.279 -0.962) 7.346 3.592 ( 2.690 -14.652 9.237) 17.528 3.718 ( -0.647 0.128 -0.566) 0.869 3.777 ( 5.096 -2.274 0.965) 5.664 3.875 ( -6.218 -7.092 1.395) 9.534 3.945 ( 3.365 -3.127 6.562) 8.010 4.388 ( 6.655 5.265 -6.542) 10.715 4.535 ( -0.627 0.125 0.958) 1.152 4.665 ( 1.857 2.193 -3.843) 4.799 4.757 ( 4.374 0.088 -6.119) 7.522 4.849 ( -2.724 0.147 -5.870) 6.473 5.185 ( 0.680 -2.584 -9.601) 9.966 5.416 ( 3.263 -3.891 5.938) 7.814 5.489 ( -7.525 -2.243 1.730) 8.040 5.606 ( 3.926 -1.035 2.011) 4.531 5.783 ( 2.711 -9.183 -0.690) 9.600 6.260 ( -9.559 -0.004 5.245) 10.904 6.327 ( -6.063 -3.520 5.241) 8.753 6.736 ( -10.501 6.896 0.573) 12.576 6.914 ( -6.276 3.441 1.387) 7.291 7.115 ( 2.509 -1.978 -1.216) 3.419 7.281 ( 5.217 -5.227 -1.408) 7.518 7.552 ( -8.183 6.735 -1.142) 10.660 7.799 ( -7.309 -3.480 -6.172) 10.180 7.986 ( -1.317 4.025 -2.644) 4.993 8.243 ( 8.001 -6.659 -3.457) 10.969 8.526 ( 3.596 2.048 5.204) 6.649 8.556 ( -0.418 -0.695 5.968) 6.023 8.683 ( 7.939 1.211 2.262) 8.343 8.846 ( 7.859 -5.021 4.373) 10.301 9.805 ( 3.757 4.961 -1.407) 6.380 9.923 ( 3.862 -0.490 -1.386) 4.133 10.217 ( -1.218 0.905 1.074) 1.859 10.270 ( 0.910 -1.905 1.476) 2.577 11.132 ( 0.679 3.293 -0.311) 3.377 11.324 ( 3.485 -5.779 0.670) 6.781 11.540 ( -3.136 2.789 2.401) 4.835 11.755 ( -3.018 -6.182 -1.753) 7.099 12.848 ( 2.784 -0.039 -3.032) 4.116 12.900 ( 0.219 -1.461 0.616) 1.600 13.002 ( 0.841 0.274 -0.599) 1.069 13.067 ( 3.732 -5.895 -3.915) 8.001 13.848 ( -3.679 8.014 -5.654) 10.475 13.921 ( 0.891 5.091 -8.681) 10.103 14.147 ( -0.941 9.601 -1.120) 9.711 14.354 ( 7.107 -0.658 -3.793) 8.083 14.736 ( -11.374 1.449 10.632) 15.637 14.948 ( -14.317 -9.028 8.142) 18.782 15.523 ( 0.460 3.411 3.464) 4.883 15.660 ( 1.497 -2.715 1.907) 3.641 21.302 ( -1.867 8.053 3.416) 8.944 21.594 ( -1.157 -4.143 2.518) 4.985 22.009 ( -7.711 9.056 -8.256) 14.479 22.274 ( -6.267 -3.879 -9.151) 11.750 22.888 ( -2.928 2.401 1.870) 4.223 22.965 ( -4.917 -1.191 2.234) 5.531 23.273 ( -1.215 1.206 -2.642) 3.148 23.328 ( -3.522 -0.914 -2.582) 4.462 23.566 ( 15.381 4.628 1.841) 16.167 23.815 ( 14.859 -5.919 -6.355) 17.211 24.329 ( 0.988 2.191 4.919) 5.475 24.443 ( 1.325 -2.690 3.727) 4.783 24.675 ( 4.315 0.318 -3.154) 5.354 24.774 ( 6.082 -2.918 -2.069) 7.056 25.339 ( 3.159 -1.539 8.895) 9.564 25.471 ( -2.037 -5.111 1.790) 5.785 ======================= Grid point 101 (49/136) ======================= q-point: ( 0.18 0.33 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 198 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.288 ( 4.115 6.308 11.978) 14.149 1.374 ( 11.762 4.961 7.678) 14.896 1.727 ( -1.669 0.434 -9.981) 10.128 1.921 ( 9.524 -8.801 1.763) 13.088 2.118 ( 4.569 1.219 -4.538) 6.554 2.317 ( 5.610 -5.793 4.240) 9.111 2.568 ( 6.248 4.879 -4.903) 9.321 2.746 ( 3.270 -2.093 -4.115) 5.657 2.852 ( 8.853 4.337 -2.099) 10.079 3.004 ( 21.539 -0.740 0.421) 21.556 3.245 ( 14.950 11.063 -2.623) 18.782 3.290 ( 13.099 8.906 4.026) 16.343 3.454 ( 1.851 5.889 -3.824) 7.261 3.661 ( 0.562 -0.630 4.324) 4.406 3.732 ( 1.969 -2.768 -0.398) 3.420 3.776 ( -2.590 -3.502 2.299) 4.925 3.881 ( 2.536 -1.415 1.433) 3.239 4.161 ( 14.348 -10.111 4.469) 18.113 4.440 ( 2.702 4.349 -4.328) 6.704 4.505 ( -0.491 5.228 -1.201) 5.387 4.660 ( 0.578 1.855 -3.716) 4.193 4.759 ( 4.047 -6.091 -6.920) 10.068 4.779 ( 3.310 2.497 -2.610) 4.899 5.112 ( 1.601 -3.078 -8.534) 9.212 5.389 ( -4.444 0.664 3.763) 5.861 5.538 ( 2.327 -4.976 3.300) 6.408 5.721 ( 4.371 -2.554 3.445) 6.123 5.866 ( 4.472 -10.178 2.716) 11.444 6.119 ( -12.434 3.459 4.061) 13.530 6.224 ( -12.924 0.022 5.253) 13.951 6.561 ( -5.231 4.885 0.788) 7.201 6.751 ( -10.014 -1.854 -1.314) 10.268 7.109 ( -1.153 4.680 -4.003) 6.265 7.268 ( -4.068 0.160 -4.495) 6.064 7.440 ( -1.596 1.690 -1.286) 2.657 7.615 ( -5.327 -3.603 -6.206) 8.937 7.897 ( -5.553 5.253 -2.436) 8.023 8.276 ( -2.075 -10.758 0.160) 10.958 8.659 ( 4.333 2.856 8.010) 9.544 8.725 ( 10.794 -0.341 3.035) 11.218 8.823 ( 5.367 0.283 1.512) 5.583 8.999 ( 6.461 -4.337 1.890) 8.008 9.884 ( 6.108 4.445 0.280) 7.559 10.031 ( 6.501 -0.829 1.677) 6.765 10.188 ( -2.110 1.413 -0.142) 2.543 10.286 ( -0.294 -2.350 -0.014) 2.368 11.152 ( 2.779 3.380 -1.512) 4.629 11.361 ( 1.988 -4.305 -2.324) 5.280 11.507 ( -3.141 0.397 2.647) 4.127 11.692 ( -2.409 -6.176 -0.714) 6.668 12.838 ( -0.973 -1.421 -1.250) 2.128 12.896 ( -1.154 -3.759 0.027) 3.933 13.030 ( 4.038 3.089 -1.722) 5.368 13.119 ( 4.818 -2.563 -2.903) 6.181 13.696 ( -7.540 9.480 -3.940) 12.738 13.816 ( -3.572 4.263 -7.377) 9.238 14.112 ( -2.551 10.116 0.536) 10.446 14.448 ( 7.658 -2.150 -3.960) 8.885 14.683 ( -6.001 -0.804 8.880) 10.748 14.772 ( -13.139 -7.127 5.453) 15.911 15.557 ( 0.158 4.314 2.619) 5.049 15.727 ( 1.618 -3.916 4.241) 5.995 21.303 ( -1.942 8.466 3.719) 9.448 21.596 ( -0.843 -2.245 1.562) 2.862 21.846 ( -5.898 3.379 -1.845) 7.043 22.071 ( -7.363 -4.520 -7.382) 11.364 22.853 ( -6.183 0.621 0.874) 6.275 22.879 ( -4.791 -0.183 2.412) 5.367 23.278 ( 3.088 1.338 -2.973) 4.491 23.343 ( 9.469 -1.257 -2.343) 9.835 23.810 ( 10.363 2.119 1.792) 10.728 23.930 ( 6.434 -2.759 -5.792) 9.086 24.386 ( 0.623 2.157 3.083) 3.814 24.474 ( -0.202 -0.275 2.058) 2.086 24.755 ( 7.954 2.500 -1.852) 8.540 24.877 ( 7.308 -0.369 -2.310) 7.673 25.442 ( -1.666 -3.363 1.010) 3.887 25.474 ( 3.565 -7.184 4.603) 9.247 ======================= Grid point 102 (50/136) ======================= q-point: ( 0.27 0.33 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 198 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.438 ( -0.812 7.729 13.513) 15.589 1.588 ( -0.037 7.484 -9.377) 11.998 1.643 ( 8.824 0.811 4.032) 9.736 2.017 ( 5.213 -12.158 -2.005) 13.380 2.253 ( 9.860 1.405 1.793) 10.120 2.463 ( 4.099 -5.194 6.597) 9.343 2.585 ( 0.670 3.292 -0.185) 3.365 2.764 ( 2.729 -2.918 -3.094) 5.053 2.910 ( 3.188 4.365 -1.642) 5.649 3.193 ( 0.749 -2.092 -3.524) 4.166 3.290 ( -2.732 4.912 -2.567) 6.179 3.385 ( 1.954 0.308 -2.012) 2.822 3.615 ( -1.986 0.245 1.283) 2.377 3.683 ( 2.339 1.483 -2.078) 3.462 3.867 ( 9.423 0.228 0.350) 9.433 3.925 ( 1.878 1.831 -0.307) 2.640 3.990 ( 23.888 3.733 3.556) 24.439 4.392 ( 10.343 -9.248 0.193) 13.876 4.414 ( 3.029 6.581 1.504) 7.399 4.574 ( 12.184 6.610 -5.644) 14.966 4.689 ( 2.923 -6.105 5.457) 8.694 4.825 ( 6.627 3.074 -3.738) 8.206 4.888 ( 12.133 -3.774 -1.777) 12.830 5.071 ( 2.727 -5.111 -7.637) 9.586 5.385 ( -0.925 3.930 2.667) 4.838 5.554 ( -3.589 -0.584 0.096) 3.637 5.668 ( -15.143 3.655 -0.368) 15.583 5.858 ( -7.301 -3.526 3.057) 8.665 6.034 ( 4.897 -2.393 2.272) 5.905 6.139 ( -2.891 -2.038 4.716) 5.895 6.563 ( -0.453 1.218 3.534) 3.765 6.646 ( -2.621 -0.133 5.380) 5.986 6.969 ( -6.669 6.121 -9.868) 13.391 7.138 ( -2.746 -0.919 -6.448) 7.068 7.424 ( 0.399 -1.402 -0.533) 1.552 7.530 ( -0.886 -3.275 -2.620) 4.287 7.795 ( -1.155 6.694 -3.136) 7.482 8.214 ( -4.439 -12.096 -0.391) 12.891 8.753 ( -3.161 1.708 5.500) 6.569 8.813 ( -5.905 -1.829 6.788) 9.181 8.985 ( 11.944 1.708 0.525) 12.076 9.130 ( 8.388 -3.345 -1.051) 9.091 10.005 ( 5.725 4.212 2.206) 7.442 10.105 ( -0.608 4.559 0.735) 4.658 10.171 ( 0.962 -2.740 0.071) 2.905 10.264 ( -0.812 -2.282 -1.654) 2.933 11.196 ( 4.688 2.767 -3.154) 6.291 11.372 ( 3.124 -1.344 -3.073) 4.584 11.492 ( -1.148 -0.959 1.913) 2.428 11.667 ( -0.902 -5.833 1.388) 6.064 12.803 ( -1.454 -1.224 -1.245) 2.272 12.875 ( -1.072 -3.901 -0.237) 4.053 13.078 ( 2.377 4.836 -0.945) 5.470 13.161 ( 2.644 -0.168 -1.819) 3.214 13.543 ( -6.473 6.956 -1.824) 9.676 13.675 ( -4.257 2.123 -6.365) 7.946 14.074 ( -2.155 9.074 0.110) 9.327 14.510 ( 2.278 -8.571 -5.240) 10.302 14.636 ( -6.827 -0.395 6.332) 9.320 14.691 ( -2.697 -1.622 7.605) 8.231 15.577 ( -0.343 4.791 1.495) 5.031 15.772 ( -0.960 -4.558 3.214) 5.659 21.308 ( -1.814 8.542 3.904) 9.566 21.599 ( 0.173 -0.532 0.252) 0.613 21.751 ( -5.036 -2.379 0.989) 5.657 21.891 ( -6.055 -4.216 -5.252) 9.056 22.739 ( -5.798 1.228 -0.758) 5.975 22.811 ( -4.529 -1.885 -0.293) 4.915 23.371 ( 8.230 4.164 0.812) 9.259 23.514 ( 10.946 -2.018 -0.465) 11.140 23.924 ( 2.921 -0.723 -4.303) 5.251 23.980 ( 3.671 -3.316 1.112) 5.070 24.395 ( -0.730 2.777 -0.149) 2.875 24.496 ( 0.226 -1.100 2.079) 2.363 24.902 ( 9.391 5.398 -0.004) 10.832 24.968 ( 5.156 3.298 -0.705) 6.161 25.421 ( -0.662 -2.152 -0.358) 2.280 25.567 ( 3.611 -9.138 1.078) 9.885 ======================= Grid point 103 (51/136) ======================= q-point: ( 0.36 0.33 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 198 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.466 ( 1.031 10.352 -4.726) 11.426 1.580 ( -3.871 8.790 14.078) 17.042 1.778 ( 4.253 -0.336 0.102) 4.268 2.119 ( 4.310 -14.641 3.979) 15.773 2.438 ( 9.306 3.789 1.860) 10.218 2.524 ( 1.687 2.952 -1.335) 3.653 2.671 ( 5.035 -6.481 5.679) 9.980 2.758 ( 0.490 -6.469 -4.066) 7.657 2.927 ( -1.400 9.221 0.681) 9.352 3.168 ( -4.145 3.830 -6.179) 8.369 3.205 ( 0.762 -2.040 3.708) 4.300 3.349 ( -1.119 -2.003 -2.358) 3.290 3.528 ( -6.689 2.617 1.100) 7.266 3.704 ( 0.813 -1.101 1.624) 2.124 3.832 ( -4.306 -1.489 -7.299) 8.604 3.900 ( -2.397 -3.993 1.302) 4.836 4.354 ( 8.246 7.410 5.196) 12.244 4.595 ( 9.939 -0.408 -1.181) 10.017 4.652 ( 15.648 1.631 4.173) 16.277 4.794 ( 6.329 -4.207 3.529) 8.379 4.843 ( 17.871 1.449 0.294) 17.932 4.906 ( 3.523 4.430 -3.355) 6.579 5.007 ( 7.705 -2.237 -5.280) 9.605 5.097 ( 2.282 -0.227 -3.120) 3.872 5.277 ( -6.443 1.002 -1.165) 6.623 5.406 ( -10.669 1.011 0.165) 10.718 5.542 ( 0.688 5.248 1.652) 5.545 5.815 ( -1.041 -4.187 1.349) 4.521 6.138 ( -1.727 -2.487 2.012) 3.636 6.158 ( 6.245 -3.472 0.114) 7.146 6.578 ( -1.906 5.702 1.838) 6.286 6.695 ( -1.648 1.901 7.568) 7.975 6.745 ( -6.279 7.548 -9.211) 13.462 7.093 ( 3.853 -7.634 -4.147) 9.504 7.403 ( -4.646 -1.620 0.553) 4.951 7.530 ( 5.148 -1.953 -0.206) 5.509 7.849 ( 11.262 2.761 -3.987) 12.262 8.120 ( -4.806 -10.695 -2.314) 11.951 8.631 ( -13.628 2.489 2.814) 14.136 8.742 ( -10.197 -2.800 5.115) 11.747 9.166 ( 7.817 0.774 0.739) 7.890 9.254 ( 7.010 -2.612 -1.287) 7.591 10.057 ( -1.421 2.142 -0.904) 2.725 10.123 ( 3.038 4.296 0.926) 5.342 10.168 ( -1.253 -2.259 -0.216) 2.592 10.237 ( -0.365 -0.126 -2.076) 2.111 11.248 ( 4.943 3.395 -3.010) 6.710 11.423 ( 5.416 0.520 -2.030) 5.807 11.501 ( -0.044 -1.477 2.010) 2.495 11.676 ( -0.977 -4.806 2.835) 5.665 12.771 ( -0.482 -0.420 -1.518) 1.647 12.856 ( -1.117 -3.423 0.254) 3.609 13.088 ( 0.118 6.140 -0.908) 6.208 13.170 ( -0.189 1.599 -0.961) 1.876 13.452 ( -2.579 3.073 -0.302) 4.023 13.567 ( -1.915 -0.888 -4.380) 4.862 14.041 ( -1.174 7.780 -0.998) 7.931 14.417 ( -4.968 -8.952 -3.521) 10.827 14.668 ( 1.353 1.261 4.670) 5.022 14.733 ( -1.560 -2.014 8.243) 8.628 15.572 ( -0.815 4.677 -0.313) 4.758 15.758 ( -2.366 -4.208 0.360) 4.841 21.315 ( -1.870 8.287 3.774) 9.296 21.607 ( 1.273 0.846 -1.043) 1.850 21.687 ( -4.041 -5.744 1.843) 7.261 21.767 ( -3.724 -4.119 -2.845) 6.239 22.652 ( -3.196 1.506 -0.890) 3.643 22.739 ( -2.728 -2.354 -0.787) 3.688 23.540 ( 7.879 5.120 3.411) 9.997 23.692 ( 9.210 -1.511 0.792) 9.366 23.894 ( -0.384 0.138 -4.620) 4.638 24.014 ( -1.050 -5.067 0.369) 5.188 24.385 ( 0.105 1.912 -0.273) 1.934 24.508 ( -0.288 -3.083 0.197) 3.103 25.029 ( 4.370 6.112 0.098) 7.515 25.064 ( 5.499 6.368 2.079) 8.667 25.415 ( 0.682 -1.923 -0.948) 2.249 25.620 ( 2.725 -9.000 -1.327) 9.497 ======================= Grid point 104 (52/136) ======================= q-point: ( 0.45 0.33 -0.83) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 198 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.480 ( 2.309 10.040 1.366) 10.392 1.636 ( -5.271 8.487 13.332) 16.660 1.833 ( 2.997 -1.278 0.756) 3.345 2.207 ( -0.637 -15.260 7.275) 16.918 2.522 ( 0.546 3.642 -0.241) 3.690 2.588 ( 2.037 5.308 -2.818) 6.346 2.737 ( 1.678 -7.564 -2.532) 8.151 2.798 ( 4.381 -4.307 1.516) 6.328 2.842 ( -4.885 7.223 -1.918) 8.928 3.039 ( -2.001 -1.171 -4.966) 5.480 3.288 ( 4.783 -0.215 4.137) 6.328 3.406 ( 3.865 -0.413 5.497) 6.733 3.450 ( -4.552 4.709 6.049) 8.915 3.707 ( -1.598 -1.407 -0.821) 2.282 3.771 ( 3.067 -2.758 0.224) 4.131 3.889 ( -1.803 -7.041 3.771) 8.188 4.461 ( -3.815 12.770 2.128) 13.497 4.627 ( 1.846 3.556 -4.196) 5.802 4.690 ( -2.021 3.681 -3.704) 5.599 4.915 ( 1.059 -2.625 -3.367) 4.399 4.966 ( 1.807 -2.871 0.609) 3.447 5.002 ( -2.992 2.122 -1.175) 3.852 5.112 ( 12.682 -0.495 2.898) 13.019 5.170 ( -2.134 2.371 3.008) 4.385 5.274 ( 15.732 -2.609 -1.770) 16.045 5.344 ( -1.976 -3.921 4.466) 6.263 5.569 ( -0.654 4.673 -1.184) 4.865 5.820 ( 1.162 -6.655 -1.612) 6.945 6.072 ( -6.385 3.235 -2.105) 7.460 6.237 ( 2.409 -3.340 -1.626) 4.428 6.519 ( -3.293 8.657 -1.234) 9.344 6.571 ( -4.047 7.210 -7.180) 10.950 6.764 ( 1.412 4.714 7.085) 8.626 7.172 ( 6.691 -11.648 0.318) 13.436 7.334 ( -3.881 -0.431 2.618) 4.701 7.664 ( 6.285 -9.396 0.801) 11.332 8.029 ( 2.333 -1.051 -4.407) 5.096 8.075 ( 15.778 -0.642 -2.611) 16.006 8.382 ( -16.259 3.636 0.398) 16.666 8.556 ( -14.044 -5.376 0.873) 15.063 9.262 ( 2.713 0.618 0.554) 2.837 9.338 ( 3.187 -2.707 0.022) 4.182 10.014 ( -1.036 2.297 -2.771) 3.746 10.127 ( -0.661 -1.344 -2.693) 3.081 10.153 ( -1.154 1.736 -1.356) 2.487 10.218 ( 0.874 0.660 -1.498) 1.856 11.313 ( 4.496 4.609 -0.312) 6.446 11.484 ( 2.067 5.025 -1.262) 5.578 11.538 ( 1.815 -5.595 3.356) 6.772 11.674 ( -2.629 -3.609 2.909) 5.329 12.761 ( 0.882 0.475 -1.162) 1.535 12.840 ( -1.199 -2.537 0.293) 2.822 13.080 ( 0.330 5.634 -0.723) 5.690 13.145 ( -0.637 2.238 -1.608) 2.829 13.443 ( -0.026 0.940 1.820) 2.048 13.528 ( 1.352 -2.795 -2.461) 3.962 14.015 ( -0.225 6.446 -1.854) 6.711 14.308 ( -2.997 -6.744 -4.549) 8.669 14.740 ( 0.298 0.587 6.948) 6.979 14.793 ( -1.256 -2.241 8.728) 9.099 15.544 ( -0.889 4.365 -2.392) 5.057 15.709 ( -1.731 -3.557 -2.610) 4.739 21.314 ( -2.177 7.613 3.197) 8.540 21.618 ( 1.217 1.502 -2.068) 2.830 21.651 ( -2.439 -7.091 2.408) 7.876 21.715 ( 0.266 -3.828 -0.692) 3.899 22.615 ( -0.479 1.817 -0.190) 1.889 22.709 ( -0.385 -2.390 -0.098) 2.423 23.658 ( 0.569 5.621 2.578) 6.210 23.830 ( 1.002 -2.253 -1.060) 2.684 23.853 ( 5.099 1.084 -0.486) 5.236 23.983 ( -0.960 -4.156 -0.106) 4.267 24.385 ( -0.104 0.073 -0.404) 0.423 24.489 ( -1.050 -3.528 -1.672) 4.043 25.087 ( 1.651 6.688 1.345) 7.019 25.147 ( 1.254 7.149 2.251) 7.599 25.419 ( 0.692 -2.352 -1.098) 2.686 25.636 ( 1.482 -8.792 -2.629) 9.296 ======================= Grid point 105 (53/136) ======================= q-point: (-0.45 0.33 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 198 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.510 ( -6.233 7.965 8.263) 13.060 1.700 ( 2.105 4.568 7.536) 9.060 1.919 ( 1.831 1.087 6.994) 7.311 2.237 ( -3.477 -13.478 6.083) 15.190 2.402 ( -10.638 4.686 -8.355) 14.315 2.531 ( -0.970 2.396 -1.589) 3.034 2.633 ( -3.644 -3.605 -3.873) 6.425 2.883 ( 1.472 -3.523 4.562) 5.949 2.916 ( 7.888 1.928 1.855) 8.330 3.054 ( 4.774 -0.109 -0.272) 4.783 3.367 ( 0.068 5.561 0.530) 5.587 3.479 ( 1.921 4.627 6.494) 8.202 3.523 ( -0.564 -4.109 5.030) 6.519 3.728 ( 2.438 -3.444 3.311) 5.363 3.835 ( 0.464 -1.718 3.230) 3.688 3.963 ( 6.930 -5.834 5.958) 10.843 4.310 ( -5.626 7.338 -2.060) 9.473 4.572 ( -5.676 -1.746 -6.937) 9.132 4.627 ( -4.679 2.096 -6.225) 8.065 4.792 ( -6.145 -2.546 -3.455) 7.495 4.989 ( -0.834 8.322 -0.455) 8.376 5.025 ( 7.374 5.106 3.444) 9.608 5.225 ( -1.054 6.157 2.957) 6.912 5.289 ( 2.775 -2.854 1.539) 4.268 5.328 ( -0.313 -2.374 1.943) 3.084 5.435 ( -3.431 -1.739 6.065) 7.182 5.480 ( -5.958 4.397 0.013) 7.404 5.788 ( -3.771 -8.973 -2.345) 10.011 5.935 ( 0.436 4.580 -6.161) 7.689 6.173 ( -5.781 -5.585 -5.656) 9.829 6.438 ( -0.602 5.819 -5.496) 8.027 6.516 ( 0.582 2.301 -1.893) 3.036 6.909 ( 6.747 6.239 8.022) 12.198 7.293 ( 0.871 -9.837 2.296) 10.138 7.350 ( 6.512 0.431 3.638) 7.472 7.648 ( -5.397 -9.028 -1.838) 10.678 8.069 ( -9.729 4.342 -1.155) 10.717 8.175 ( 3.094 2.243 1.272) 4.028 8.324 ( -4.393 -5.842 -7.253) 10.297 8.347 ( 14.667 -2.772 -1.046) 14.963 9.269 ( -3.054 0.407 1.154) 3.290 9.352 ( -2.089 -3.205 0.394) 3.846 9.978 ( 0.910 3.173 -3.526) 4.830 10.062 ( -2.269 2.861 -4.467) 5.770 10.127 ( 0.408 -1.366 -1.502) 2.071 10.219 ( 1.088 -1.954 -2.641) 3.461 11.386 ( 2.879 5.087 1.390) 6.009 11.471 ( -2.157 4.242 -0.414) 4.777 11.577 ( -3.707 -3.866 3.604) 6.456 11.665 ( 0.129 -4.441 2.713) 5.206 12.778 ( 1.815 0.589 -0.443) 1.959 12.820 ( -0.864 -0.920 -0.366) 1.314 13.078 ( 0.058 4.332 -1.164) 4.486 13.146 ( 3.238 1.471 -1.952) 4.057 13.464 ( -0.212 1.534 2.652) 3.071 13.571 ( 5.235 -3.412 -0.377) 6.260 13.996 ( 0.222 5.278 -2.104) 5.687 14.229 ( 0.081 -5.214 -6.284) 8.166 14.816 ( -1.060 0.084 10.142) 10.198 14.855 ( -1.890 -2.140 9.428) 9.850 15.498 ( -0.566 4.314 -4.284) 6.106 15.655 ( -0.255 -3.242 -4.817) 5.812 21.303 ( -2.256 6.667 2.631) 7.514 21.593 ( -1.771 -3.826 -1.019) 4.338 21.659 ( 1.383 -1.276 0.823) 2.054 21.770 ( 5.236 -3.415 1.277) 6.380 22.629 ( 1.747 1.980 0.477) 2.683 22.717 ( 1.209 -2.019 -0.346) 2.379 23.609 ( -6.064 5.095 0.723) 7.953 23.780 ( -3.755 -1.934 -0.828) 4.304 23.974 ( 5.196 -0.928 2.150) 5.700 24.003 ( 1.912 -2.981 0.374) 3.561 24.374 ( -0.228 0.531 -0.541) 0.792 24.440 ( -1.974 -1.819 -3.284) 4.242 25.107 ( -1.257 6.753 1.755) 7.090 25.151 ( -3.157 6.751 2.146) 7.755 25.413 ( -0.197 -2.890 -0.962) 3.052 25.619 ( -0.219 -9.607 -3.271) 10.151 ======================= Grid point 106 (54/136) ======================= q-point: (-0.36 0.33 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 198 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.431 ( -10.284 10.029 5.951) 15.549 1.812 ( 1.271 -2.071 4.506) 5.120 1.898 ( -14.037 9.083 5.670) 17.655 2.225 ( -1.885 -5.417 1.856) 6.028 2.258 ( 0.052 -5.181 0.534) 5.209 2.407 ( -6.364 -8.735 1.947) 10.981 2.694 ( 5.609 4.314 4.249) 8.253 2.919 ( -1.014 -1.790 2.781) 3.459 3.029 ( 3.234 3.045 -1.063) 4.567 3.133 ( 3.690 -0.305 -0.770) 3.781 3.354 ( 0.064 3.499 -1.247) 3.716 3.519 ( 0.850 4.828 0.284) 4.910 3.561 ( -2.706 -5.443 7.260) 9.469 3.771 ( 1.026 -0.595 -1.327) 1.780 3.878 ( -1.405 0.384 3.922) 4.184 4.084 ( -2.612 -4.285 0.087) 5.020 4.298 ( -8.553 2.578 -0.860) 8.974 4.355 ( -3.940 0.196 5.487) 6.758 4.481 ( -8.971 3.828 -3.734) 10.444 4.647 ( -2.914 -2.770 -2.736) 4.863 4.909 ( -7.960 7.554 0.020) 10.974 5.031 ( -9.749 9.210 -0.294) 13.415 5.147 ( -4.025 -1.178 -2.944) 5.124 5.264 ( -8.292 2.350 3.363) 9.251 5.370 ( -2.417 -1.549 -1.253) 3.132 5.411 ( 9.210 2.837 0.694) 9.662 5.497 ( 2.864 0.826 3.754) 4.793 5.717 ( -0.210 -7.654 0.330) 7.664 5.942 ( -1.106 -4.233 -6.372) 7.730 5.967 ( -5.587 -4.027 -6.071) 9.181 6.429 ( 3.088 5.315 -0.331) 6.156 6.532 ( 3.697 -0.500 -0.563) 3.773 7.102 ( 5.795 5.466 6.008) 9.978 7.287 ( -0.175 -0.643 -0.961) 1.170 7.497 ( -1.962 -0.318 3.262) 3.820 7.601 ( 6.491 -6.902 2.485) 9.796 7.860 ( -7.009 2.962 -3.641) 8.435 8.074 ( -4.446 -8.144 -6.995) 11.619 8.447 ( 12.802 1.621 -0.928) 12.938 8.562 ( 9.083 -3.143 0.746) 9.640 9.177 ( -8.839 0.164 1.359) 8.945 9.270 ( -7.274 -3.632 -0.386) 8.139 9.972 ( -0.257 3.778 -2.849) 4.739 10.003 ( 1.795 3.840 -2.533) 4.938 10.127 ( 0.843 -1.406 -1.628) 2.310 10.204 ( 1.016 -3.868 -3.750) 5.482 11.391 ( -3.696 1.830 -2.158) 4.654 11.443 ( -0.087 6.641 1.971) 6.928 11.499 ( -7.402 -3.323 2.611) 8.523 11.711 ( 0.752 -5.861 3.271) 6.754 12.791 ( 0.182 0.170 -0.872) 0.906 12.821 ( 1.469 -0.487 -0.399) 1.598 13.070 ( 1.030 5.123 -2.069) 5.620 13.197 ( 4.081 -1.108 -1.772) 4.585 13.492 ( 1.290 4.170 1.629) 4.658 13.691 ( 7.672 -3.217 1.477) 8.450 13.979 ( 0.132 4.757 -2.105) 5.204 14.191 ( 3.423 -4.318 -7.762) 9.519 14.900 ( -2.304 -1.001 12.362) 12.614 14.911 ( -2.852 -1.435 11.421) 11.859 15.446 ( 0.152 4.538 -5.388) 7.047 15.607 ( 0.750 -3.175 -5.878) 6.723 21.291 ( -1.970 5.921 2.458) 6.707 21.554 ( -1.496 -5.208 -0.699) 5.463 21.708 ( 3.833 3.570 0.052) 5.238 21.908 ( 8.344 -4.616 2.693) 9.908 22.676 ( 2.960 1.530 0.367) 3.352 22.732 ( 1.603 -1.045 -2.055) 2.808 23.514 ( -5.991 4.045 2.138) 7.538 23.692 ( -6.483 -3.727 0.922) 7.535 24.008 ( -1.317 0.363 -0.143) 1.374 24.072 ( 3.626 -2.008 1.873) 4.548 24.353 ( -3.516 1.616 -4.723) 6.106 24.379 ( 1.060 0.165 -0.176) 1.088 25.066 ( -5.874 6.495 1.738) 8.928 25.102 ( -3.958 5.313 2.135) 6.961 25.399 ( -0.308 -3.776 -0.654) 3.845 25.559 ( -3.168 -11.476 -3.672) 12.459 ======================= Grid point 107 (55/136) ======================= q-point: (-0.27 0.33 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 198 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.289 ( -10.331 14.255 2.236) 17.746 1.604 ( -15.990 13.444 -1.744) 20.963 1.873 ( -4.217 -9.558 7.429) 12.819 2.117 ( -11.070 -9.229 4.656) 15.145 2.315 ( 0.365 -0.066 4.087) 4.104 2.437 ( 1.148 -4.881 6.332) 8.077 2.843 ( 4.367 1.621 3.935) 6.098 2.926 ( 0.014 0.462 2.792) 2.830 3.006 ( -3.274 1.959 -2.187) 4.398 3.127 ( -0.083 -4.195 -5.531) 6.942 3.377 ( 0.612 6.491 1.836) 6.774 3.519 ( -0.581 6.697 -1.291) 6.845 3.532 ( -8.119 0.649 0.376) 8.153 3.719 ( -11.413 -0.351 -0.306) 11.422 3.735 ( -15.596 2.811 -3.467) 16.223 3.902 ( -10.829 -0.267 1.487) 10.934 4.002 ( -15.945 0.480 4.324) 16.528 4.258 ( -10.922 -4.838 0.384) 11.951 4.474 ( 2.793 4.285 0.537) 5.143 4.589 ( -5.179 -0.477 -1.912) 5.542 4.800 ( -2.839 6.809 -0.351) 7.385 4.904 ( -5.035 7.415 -0.921) 9.011 5.041 ( -3.381 -2.586 -3.173) 5.309 5.197 ( -3.778 3.265 3.803) 6.276 5.336 ( -2.449 -11.204 1.157) 11.527 5.441 ( 1.093 -3.688 -2.916) 4.827 5.663 ( 11.597 -0.476 1.934) 11.767 5.750 ( 0.005 -3.888 -4.577) 6.005 5.827 ( 2.227 -2.651 -0.979) 3.598 5.919 ( 1.870 -1.867 -2.792) 3.844 6.536 ( 6.102 7.605 4.400) 10.698 6.624 ( 6.516 4.080 -0.410) 7.699 7.191 ( 1.667 0.159 1.124) 2.017 7.289 ( 0.988 1.923 -1.498) 2.630 7.469 ( -1.888 2.734 1.257) 3.552 7.720 ( 2.732 -9.953 -1.788) 10.475 7.807 ( 5.035 3.411 -3.437) 6.985 8.029 ( 5.981 -5.328 -3.297) 8.662 8.608 ( 5.386 -1.154 0.126) 5.509 8.666 ( 0.607 -2.982 3.779) 4.852 9.010 ( -11.708 0.407 1.705) 11.838 9.112 ( -9.934 -3.785 -0.710) 10.654 9.935 ( -1.055 4.139 -0.306) 4.282 10.022 ( -0.162 0.759 -1.811) 1.970 10.121 ( 1.203 0.519 -0.826) 1.549 10.195 ( 1.862 -3.184 -3.449) 5.050 11.283 ( -5.233 1.459 -2.613) 6.029 11.390 ( -6.526 -4.071 -0.186) 7.693 11.459 ( 0.123 6.546 1.141) 6.646 11.749 ( 0.352 -6.808 2.928) 7.419 12.786 ( 0.913 0.534 -1.948) 2.216 12.837 ( 0.844 -1.358 -0.679) 1.737 13.068 ( 0.566 4.408 -1.849) 4.814 13.237 ( 1.927 -3.899 -1.225) 4.518 13.550 ( 5.515 8.594 -1.165) 10.278 13.847 ( 7.927 -3.682 1.734) 8.910 13.962 ( 0.843 6.187 -2.562) 6.750 14.195 ( 5.740 -3.937 -7.966) 10.579 14.946 ( -4.050 -0.645 10.068) 10.871 15.006 ( -3.466 -2.944 17.147) 17.740 15.405 ( 1.073 4.914 -4.941) 7.051 15.572 ( 1.584 -2.924 -4.833) 5.867 21.285 ( -1.544 5.644 2.527) 6.374 21.534 ( -0.406 -5.446 0.060) 5.462 21.797 ( 7.067 8.906 -0.506) 11.380 22.102 ( 10.716 -5.761 3.145) 12.566 22.725 ( 2.231 0.469 -2.303) 3.240 22.736 ( 2.688 0.133 -1.588) 3.125 23.444 ( -5.257 2.266 2.444) 6.225 23.573 ( -8.530 -3.976 1.485) 9.527 23.964 ( -4.950 5.614 1.693) 7.673 24.129 ( 2.354 -1.468 -2.383) 3.657 24.244 ( -3.541 3.380 -2.043) 5.305 24.392 ( 0.181 -2.549 -0.602) 2.626 24.959 ( -7.864 3.859 1.866) 8.957 25.053 ( -4.283 4.209 1.840) 6.281 25.393 ( -0.217 -6.024 -1.332) 6.173 25.431 ( -7.026 -12.104 -3.080) 14.330 ======================= Grid point 108 (56/136) ======================= q-point: (-0.18 0.33 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 198 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.127 ( -9.287 18.902 -0.579) 21.069 1.349 ( -13.306 15.944 2.135) 20.877 1.831 ( -10.734 -6.651 9.651) 15.893 1.977 ( -11.977 -13.904 7.677) 19.892 2.320 ( -2.270 3.643 -1.888) 4.689 2.458 ( -3.113 -3.694 -1.444) 5.042 2.770 ( -15.232 7.995 -1.385) 17.258 2.808 ( -11.502 2.782 -1.238) 11.899 2.996 ( -3.253 -0.941 -3.348) 4.762 3.119 ( -3.295 -0.955 5.268) 6.286 3.225 ( -14.131 3.703 3.005) 14.914 3.296 ( -11.973 11.057 1.249) 16.345 3.438 ( -5.153 0.194 4.009) 6.531 3.516 ( -3.694 7.734 -3.649) 9.316 3.599 ( -1.563 -2.421 -0.591) 2.942 3.799 ( -5.107 -1.034 1.130) 5.332 3.847 ( -6.494 -4.795 -3.094) 8.645 4.088 ( -10.759 -8.093 5.148) 14.414 4.454 ( 1.646 -0.898 -3.445) 3.922 4.505 ( -0.799 -3.369 -7.019) 7.827 4.755 ( -1.847 8.479 -2.349) 8.990 4.813 ( -2.696 4.659 -2.166) 5.802 4.989 ( 0.287 -1.464 -3.235) 3.562 5.167 ( -4.844 -5.765 -2.061) 7.807 5.269 ( 0.706 -0.063 0.411) 0.819 5.552 ( 6.626 -4.516 5.443) 9.692 5.692 ( -1.451 3.396 1.088) 3.850 5.779 ( -2.723 -4.225 -0.604) 5.062 5.980 ( 15.049 -1.164 5.329) 16.007 6.031 ( 9.897 -4.385 -1.475) 10.925 6.657 ( 5.696 10.054 -0.462) 11.564 6.754 ( 6.797 5.314 2.330) 8.937 7.176 ( -4.187 -2.875 -2.337) 5.591 7.281 ( 0.823 -1.663 -4.323) 4.704 7.470 ( 2.213 2.204 0.162) 3.128 7.727 ( 6.998 -7.927 -9.171) 13.997 7.922 ( 9.273 4.790 -0.533) 10.451 8.131 ( 4.265 -3.454 1.048) 5.588 8.609 ( -6.296 -2.615 1.865) 7.068 8.668 ( -4.991 -3.113 4.841) 7.618 8.831 ( -10.811 0.796 2.421) 11.107 8.929 ( -10.753 -3.802 0.087) 11.406 9.919 ( -3.663 4.800 0.781) 6.089 9.985 ( 0.477 0.909 1.019) 1.446 10.140 ( 0.360 0.106 -2.084) 2.118 10.198 ( 1.790 -2.585 -0.993) 3.298 11.183 ( -3.084 1.265 -2.368) 4.089 11.272 ( -5.371 -3.642 -2.230) 6.862 11.481 ( 1.978 6.864 -0.069) 7.144 11.785 ( 1.011 -7.224 2.148) 7.604 12.783 ( 1.525 0.758 -3.093) 3.531 12.845 ( 1.360 -1.819 -1.159) 2.549 13.044 ( -1.517 2.846 -1.424) 3.525 13.232 ( -1.727 -6.457 -0.155) 6.686 13.665 ( 11.401 11.325 -5.390) 16.950 13.927 ( 2.008 0.497 -3.163) 3.779 14.016 ( 6.140 4.187 1.077) 7.509 14.225 ( 6.245 -3.628 -7.414) 10.350 14.958 ( -5.585 0.353 9.183) 10.754 15.105 ( -5.215 -6.952 17.193) 19.264 15.393 ( 1.843 5.592 -2.521) 6.405 15.586 ( 3.021 -3.237 0.214) 4.433 21.287 ( -1.210 5.928 2.649) 6.605 21.541 ( 0.305 -5.787 1.293) 5.937 21.963 ( 13.897 13.688 -1.268) 19.547 22.321 ( 11.246 -5.651 1.456) 12.670 22.734 ( 3.472 1.490 -2.469) 4.513 22.791 ( 4.444 -0.861 -0.216) 4.532 23.357 ( -6.334 1.317 -0.694) 6.506 23.437 ( -7.948 -2.561 -0.125) 8.351 23.824 ( -11.861 9.925 -1.078) 15.503 24.123 ( 2.694 2.197 -3.078) 4.643 24.239 ( -0.906 -1.823 5.519) 5.882 24.345 ( -5.135 -7.103 -2.616) 9.147 24.847 ( -6.661 0.980 1.156) 6.832 24.965 ( -8.760 -2.438 -0.224) 9.096 25.225 ( -8.589 -4.957 -2.897) 10.331 25.420 ( 0.886 -6.829 1.409) 7.029 ======================= Grid point 109 (57/136) ======================= q-point: (-0.09 0.33 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 198 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.961 ( -7.635 21.823 -5.077) 23.671 1.160 ( -15.346 15.918 9.378) 24.017 1.685 ( -17.274 4.911 14.035) 22.792 1.870 ( -6.502 -17.188 3.470) 18.702 2.133 ( -12.779 4.848 -4.840) 14.500 2.359 ( -1.712 -5.171 -9.344) 10.815 2.460 ( -14.852 10.024 -0.460) 17.925 2.607 ( -3.773 7.358 -5.896) 10.156 2.836 ( -6.873 4.103 -1.413) 8.128 2.998 ( -15.926 1.320 3.224) 16.302 3.147 ( -2.287 2.960 -3.294) 4.984 3.210 ( 0.290 3.492 0.528) 3.544 3.370 ( -4.281 -4.092 0.658) 5.959 3.531 ( -2.684 0.273 13.500) 13.767 3.586 ( 0.843 3.445 -1.801) 3.977 3.738 ( 1.927 -0.475 -2.641) 3.303 3.770 ( -1.325 -3.237 1.216) 3.703 4.016 ( -4.440 -10.062 4.482) 11.876 4.419 ( 2.295 -2.683 -12.190) 12.691 4.487 ( 4.295 -3.285 -2.892) 6.132 4.694 ( -1.484 3.538 -2.430) 4.541 4.780 ( 1.931 3.431 -5.382) 6.668 4.955 ( -1.687 -0.492 -1.696) 2.442 5.103 ( 0.340 -8.365 2.126) 8.638 5.342 ( 6.202 7.997 -2.606) 10.450 5.576 ( -3.336 3.673 0.109) 4.963 5.689 ( -2.882 -5.538 -1.255) 6.368 5.823 ( 3.003 -8.641 4.983) 10.417 6.196 ( 8.269 1.076 1.854) 8.542 6.243 ( 7.586 0.045 8.719) 11.558 6.770 ( 5.262 7.248 3.151) 9.495 6.859 ( 4.178 3.263 0.021) 5.302 7.014 ( -7.455 -0.745 -5.828) 9.492 7.225 ( -1.485 -8.905 -2.847) 9.466 7.545 ( 6.180 5.777 -1.307) 8.560 7.812 ( 11.629 -5.562 -7.828) 15.082 8.072 ( 6.189 2.887 -0.524) 6.849 8.165 ( 1.290 1.054 -1.499) 2.241 8.470 ( -10.706 -0.435 3.690) 11.333 8.616 ( -5.611 -3.136 5.138) 8.229 8.694 ( -7.796 -0.112 2.431) 8.167 8.747 ( -11.486 -2.832 3.146) 12.241 9.838 ( -4.257 7.232 -0.595) 8.413 10.046 ( -0.389 5.287 0.547) 5.329 10.093 ( 0.804 -4.614 -0.898) 4.769 10.234 ( 1.485 -3.417 1.078) 3.878 11.136 ( -0.374 1.331 -1.572) 2.093 11.196 ( -0.901 -1.762 -0.391) 2.017 11.522 ( 2.476 6.542 -0.004) 6.995 11.817 ( 0.653 -6.879 0.703) 6.946 12.784 ( 2.633 1.061 -3.611) 4.593 12.865 ( 2.730 -2.497 -1.881) 4.150 12.998 ( -2.089 1.984 -0.834) 2.999 13.179 ( -3.982 -7.527 -0.165) 8.517 13.820 ( 14.059 9.731 -9.383) 19.504 13.927 ( 2.304 4.007 -4.100) 6.178 14.112 ( 3.305 3.897 1.176) 5.244 14.259 ( 5.794 -2.947 -7.047) 9.587 14.930 ( -8.076 1.122 8.993) 12.139 15.140 ( -7.886 -9.989 12.907) 18.126 15.418 ( 2.039 5.772 0.512) 6.143 15.660 ( 1.133 -6.471 4.437) 7.927 21.293 ( -1.177 6.601 2.835) 7.280 21.563 ( 0.092 -5.805 2.213) 6.213 22.216 ( 16.166 10.896 -7.438) 20.866 22.463 ( 5.497 -3.753 -4.346) 7.949 22.855 ( 12.232 2.911 0.473) 12.583 22.930 ( 11.849 -0.592 4.336) 12.631 23.222 ( -7.007 1.961 -4.002) 8.304 23.275 ( -6.488 0.758 -5.841) 8.763 23.599 ( -11.685 5.929 0.208) 13.105 24.046 ( -21.225 -14.591 -3.998) 26.065 24.198 ( 0.100 2.976 2.589) 3.946 24.287 ( -0.083 -2.216 5.997) 6.394 24.736 ( -6.074 -0.606 -2.615) 6.641 24.789 ( -6.041 -2.812 0.283) 6.669 25.150 ( -1.839 5.907 4.311) 7.541 25.453 ( 0.566 -7.370 2.259) 7.729 ======================= Grid point 110 (58/136) ======================= q-point: ( 0.00 -0.50 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 132 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.153 ( -3.311 -10.470 -2.772) 11.326 1.153 ( -3.311 10.470 -2.772) 11.326 1.578 ( -4.125 -7.221 10.125) 13.103 1.578 ( -4.125 7.221 10.125) 13.103 2.202 ( 7.833 -6.116 -7.520) 12.462 2.202 ( 7.833 6.116 -7.520) 12.462 2.442 ( -9.248 -9.049 -2.806) 13.239 2.442 ( -9.248 9.049 -2.806) 13.239 2.889 ( 1.223 -6.294 -2.302) 6.812 2.889 ( 1.223 6.294 -2.302) 6.812 3.137 ( -1.472 -11.885 -2.037) 12.147 3.137 ( -1.472 11.885 -2.037) 12.147 3.433 ( -0.040 -14.757 3.337) 15.129 3.433 ( -0.040 14.757 3.337) 15.129 3.702 ( -2.012 -10.692 3.768) 11.513 3.702 ( -2.012 10.692 3.768) 11.513 3.829 ( 2.115 -2.382 2.021) 3.773 3.829 ( 2.115 2.382 2.021) 3.773 4.440 ( 4.328 -4.765 -4.032) 7.596 4.440 ( 4.328 4.765 -4.032) 7.596 4.731 ( 1.708 -3.429 -5.809) 6.958 4.731 ( 1.708 3.429 -5.809) 6.958 4.992 ( -0.280 -7.410 2.243) 7.747 4.992 ( -0.280 7.410 2.243) 7.747 5.523 ( -1.744 -5.546 -3.472) 6.772 5.523 ( -1.744 5.546 -3.472) 6.772 5.629 ( -0.234 -6.929 -2.554) 7.389 5.629 ( -0.234 6.929 -2.554) 7.389 6.327 ( -3.130 -1.604 5.052) 6.155 6.327 ( -3.130 1.604 5.052) 6.155 6.951 ( -1.195 -4.587 3.386) 5.825 6.951 ( -1.195 4.587 3.386) 5.825 7.035 ( 6.012 -6.805 0.007) 9.080 7.035 ( 6.012 6.805 0.007) 9.080 7.779 ( 3.307 -7.862 -3.002) 9.042 7.779 ( 3.307 7.862 -3.002) 9.042 8.114 ( -0.155 -3.013 -5.213) 6.023 8.114 ( -0.155 3.013 -5.213) 6.023 8.505 ( -3.929 -4.315 8.054) 9.946 8.505 ( -3.929 4.315 8.054) 9.946 8.638 ( 0.210 -3.202 2.304) 3.951 8.638 ( 0.210 3.202 2.304) 3.951 9.911 ( -1.844 -5.095 -3.625) 6.519 9.911 ( -1.844 5.095 -3.625) 6.519 10.199 ( 1.384 -2.649 3.162) 4.351 10.199 ( 1.384 2.649 3.162) 4.351 11.178 ( 1.598 -2.790 0.723) 3.296 11.178 ( 1.598 2.790 0.723) 3.296 11.674 ( -0.961 -6.984 -0.149) 7.051 11.674 ( -0.961 6.984 -0.149) 7.051 12.846 ( 3.836 -2.436 -3.130) 5.518 12.846 ( 3.836 2.436 -3.130) 5.518 13.006 ( -1.988 -2.867 -0.444) 3.517 13.006 ( -1.988 2.867 -0.444) 3.517 13.981 ( 3.449 -0.837 -5.408) 6.469 13.981 ( 3.449 0.837 -5.408) 6.469 14.249 ( 5.198 -3.247 -3.332) 6.976 14.249 ( 5.198 3.247 -3.332) 6.976 14.927 ( -11.172 -5.973 9.625) 15.910 14.927 ( -11.172 5.973 9.625) 15.910 15.564 ( 0.381 -5.192 1.415) 5.395 15.564 ( 0.381 5.192 1.415) 5.395 21.451 ( -1.018 -7.648 3.537) 8.488 21.451 ( -1.018 7.648 3.537) 8.488 22.357 ( -1.304 -4.832 -10.172) 11.336 22.357 ( -1.304 4.832 -10.172) 11.336 23.020 ( -4.772 -0.299 -1.950) 5.164 23.020 ( -4.772 0.299 -1.950) 5.164 23.310 ( 16.113 -1.836 -1.982) 16.338 23.310 ( 16.113 1.836 -1.982) 16.338 23.497 ( -9.841 -6.003 2.086) 11.714 23.497 ( -9.841 6.003 2.086) 11.714 24.307 ( 1.238 -2.254 4.792) 5.439 24.307 ( 1.238 2.254 4.792) 5.439 24.691 ( -0.185 -2.266 -1.853) 2.933 24.691 ( -0.185 2.266 -1.853) 2.933 25.335 ( -0.115 -7.165 4.637) 8.535 25.335 ( -0.115 7.165 4.637) 8.535 ======================= Grid point 112 (59/136) ======================= q-point: ( 0.09 -0.50 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 132 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.204 ( 8.462 -5.884 0.799) 10.338 1.204 ( 8.462 5.884 0.799) 10.338 1.675 ( 4.401 -3.007 6.946) 8.755 1.675 ( 4.401 3.007 6.946) 8.755 2.203 ( 1.571 -3.266 -11.730) 12.277 2.203 ( 1.571 3.266 -11.730) 12.277 2.478 ( 13.589 -4.718 3.591) 14.826 2.478 ( 13.589 4.718 3.591) 14.826 2.859 ( 3.368 -2.074 -9.611) 10.393 2.859 ( 3.368 2.074 -9.611) 10.393 3.230 ( 8.395 -19.179 6.747) 21.997 3.230 ( 8.395 19.179 6.747) 21.997 3.478 ( 2.102 -14.550 0.611) 14.714 3.478 ( 2.102 14.550 0.611) 14.714 3.690 ( -0.565 -7.768 0.971) 7.849 3.690 ( -0.565 7.768 0.971) 7.849 3.870 ( -0.007 -4.647 2.598) 5.324 3.870 ( -0.007 4.647 2.598) 5.324 4.486 ( 3.468 -4.397 -0.431) 5.617 4.486 ( 3.468 4.397 -0.431) 5.617 4.715 ( 3.133 -3.067 -7.849) 8.990 4.715 ( 3.133 3.067 -7.849) 8.990 4.986 ( -1.211 -11.495 -1.708) 11.684 4.986 ( -1.211 11.495 -1.708) 11.684 5.456 ( -2.127 -2.493 -0.306) 3.291 5.456 ( -2.127 2.493 -0.306) 3.291 5.633 ( 3.071 -4.808 -0.877) 5.772 5.633 ( 3.071 4.808 -0.877) 5.772 6.275 ( -7.228 -1.686 5.618) 9.309 6.275 ( -7.228 1.686 5.618) 9.309 6.874 ( -10.017 -6.152 -0.036) 11.755 6.874 ( -10.017 6.152 -0.036) 11.755 7.166 ( 6.720 -5.712 -0.245) 8.823 7.166 ( 6.720 5.712 -0.245) 8.823 7.693 ( -7.804 -6.936 -3.529) 11.021 7.693 ( -7.804 6.936 -3.529) 11.021 8.099 ( 1.263 -7.074 -2.562) 7.629 8.099 ( 1.263 7.074 -2.562) 7.629 8.548 ( 2.582 -0.469 6.279) 6.805 8.548 ( 2.582 0.469 6.279) 6.805 8.748 ( 7.129 -4.720 2.981) 9.055 8.748 ( 7.129 4.720 2.981) 9.055 9.888 ( 3.016 -3.121 -1.933) 4.751 9.888 ( 3.016 3.121 -1.933) 4.751 10.238 ( 0.018 -1.335 2.004) 2.408 10.238 ( 0.018 1.335 2.004) 2.408 11.215 ( 1.500 -5.004 0.897) 5.300 11.215 ( 1.500 5.004 0.897) 5.300 11.633 ( -2.980 -5.889 -0.588) 6.627 11.633 ( -2.980 5.889 -0.588) 6.627 12.862 ( 0.402 -1.738 -1.873) 2.587 12.862 ( 0.402 1.738 -1.873) 2.587 13.009 ( 3.727 -1.029 -1.514) 4.152 13.009 ( 3.727 1.029 -1.514) 4.152 13.943 ( -1.987 -2.077 -5.080) 5.837 13.943 ( -1.987 2.077 -5.080) 5.837 14.303 ( 4.642 -5.204 -3.479) 7.793 14.303 ( 4.642 5.204 -3.479) 7.793 14.802 ( -12.890 -5.478 8.525) 16.396 14.802 ( -12.890 5.478 8.525) 16.396 15.594 ( 1.197 -3.669 2.414) 4.552 15.594 ( 1.197 3.669 2.414) 4.552 21.465 ( -1.689 -8.053 4.135) 9.209 21.465 ( -1.689 8.053 4.135) 9.209 22.170 ( -7.366 -6.799 -9.772) 13.999 22.170 ( -7.366 6.799 -9.772) 13.999 22.933 ( -4.343 -2.043 1.822) 5.134 22.933 ( -4.343 2.043 1.822) 5.134 23.301 ( -2.441 -1.536 -2.841) 4.049 23.301 ( -2.441 1.536 -2.841) 4.049 23.684 ( 16.134 -6.868 -1.741) 17.621 23.684 ( 16.134 6.868 -1.741) 17.621 24.382 ( 1.614 -3.126 4.857) 5.997 24.382 ( 1.614 3.126 4.857) 5.997 24.711 ( 5.358 -2.956 -2.507) 6.613 24.711 ( 5.358 2.956 -2.507) 6.613 25.375 ( -0.753 -4.105 4.821) 6.376 25.375 ( -0.753 4.105 4.821) 6.376 ======================= Grid point 114 (60/136) ======================= q-point: ( 0.18 -0.50 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 132 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.396 ( 9.186 -3.321 5.362) 11.143 1.396 ( 9.186 3.321 5.362) 11.143 1.778 ( 3.225 -5.218 -2.281) 6.544 1.778 ( 3.225 5.218 -2.281) 6.544 2.189 ( 3.933 -5.810 1.218) 7.121 2.189 ( 3.933 5.810 1.218) 7.121 2.671 ( 5.259 -5.035 -4.048) 8.330 2.671 ( 5.259 5.035 -4.048) 8.330 2.948 ( 12.721 -4.420 -2.641) 13.723 2.948 ( 12.721 4.420 -2.641) 13.723 3.453 ( -1.206 -4.255 -0.820) 4.498 3.453 ( -1.206 4.255 -0.820) 4.498 3.501 ( 13.459 -7.593 4.418) 16.072 3.501 ( 13.459 7.593 4.418) 16.072 3.736 ( 3.978 -0.810 -3.006) 5.051 3.736 ( 3.978 0.810 -3.006) 5.051 3.953 ( 8.633 -9.108 4.536) 13.344 3.953 ( 8.633 9.108 4.536) 13.344 4.539 ( 1.331 -3.758 0.010) 3.986 4.539 ( 1.331 3.758 0.010) 3.986 4.662 ( 1.833 -2.734 -7.431) 8.128 4.662 ( 1.833 2.734 -7.431) 8.128 4.943 ( 1.565 -11.344 -5.835) 12.852 4.943 ( 1.565 11.344 -5.835) 12.852 5.458 ( -0.074 -4.933 3.750) 6.197 5.458 ( -0.074 4.933 3.750) 6.197 5.720 ( 4.826 -3.709 2.570) 6.607 5.720 ( 4.826 3.709 2.570) 6.607 6.189 ( -9.965 -3.160 5.240) 11.694 6.189 ( -9.965 3.160 5.240) 11.694 6.670 ( -9.335 -5.642 -1.385) 10.995 6.670 ( -9.335 5.642 -1.385) 10.995 7.212 ( 0.338 -5.131 -4.511) 6.840 7.212 ( 0.338 5.131 -4.511) 6.840 7.520 ( -6.210 -5.504 -3.822) 9.135 7.520 ( -6.210 5.504 -3.822) 9.135 8.059 ( -4.230 -10.475 0.053) 11.297 8.059 ( -4.230 10.475 0.053) 11.297 8.700 ( 5.723 -1.712 6.206) 8.614 8.700 ( 5.723 1.712 6.206) 8.614 8.896 ( 7.370 -5.558 1.410) 9.338 8.896 ( 7.370 5.558 1.410) 9.338 9.973 ( 6.478 -4.207 1.007) 7.789 9.973 ( 6.478 4.207 1.007) 7.789 10.236 ( -1.471 -2.731 0.234) 3.111 10.236 ( -1.471 2.731 0.234) 3.111 11.245 ( 1.882 -5.852 -0.485) 6.166 11.245 ( 1.882 5.852 -0.485) 6.166 11.578 ( -2.288 -5.243 -0.382) 5.733 11.578 ( -2.288 5.243 -0.382) 5.733 12.838 ( -0.958 -1.588 -1.301) 2.265 12.838 ( -0.958 1.588 -1.301) 2.265 13.078 ( 5.123 -2.038 -1.386) 5.685 13.078 ( 5.123 2.038 -1.386) 5.685 13.821 ( -6.055 -3.229 -5.119) 8.561 13.821 ( -6.055 3.229 -5.119) 8.561 14.327 ( 1.176 -9.972 -2.603) 10.373 14.327 ( 1.176 9.972 -2.603) 10.373 14.685 ( -8.405 -1.684 7.006) 11.071 14.685 ( -8.405 1.684 7.006) 11.071 15.644 ( 0.951 -4.444 3.161) 5.536 15.644 ( 0.951 4.444 3.161) 5.536 21.475 ( -1.999 -8.383 4.476) 9.711 21.475 ( -1.999 8.383 4.476) 9.711 21.960 ( -7.205 -6.482 -6.646) 11.751 21.960 ( -7.205 6.482 -6.646) 11.751 22.868 ( -5.698 -0.776 1.306) 5.897 22.868 ( -5.698 0.776 1.306) 5.897 23.311 ( 6.528 -1.836 -2.200) 7.129 23.311 ( 6.528 1.836 -2.200) 7.129 23.866 ( 7.956 -3.350 -2.602) 9.016 23.866 ( 7.956 3.350 -2.602) 9.016 24.439 ( 0.385 -2.765 2.848) 3.988 24.439 ( 0.385 2.765 2.848) 3.988 24.828 ( 10.164 -4.095 -2.050) 11.148 24.828 ( 10.164 4.095 -2.050) 11.148 25.403 ( -0.573 -0.365 3.497) 3.562 25.403 ( -0.573 0.365 3.497) 3.562 ======================= Grid point 116 (61/136) ======================= q-point: ( 0.27 -0.50 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 132 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.583 ( 3.912 -5.872 7.406) 10.229 1.583 ( 3.912 5.872 7.406) 10.229 1.781 ( 3.911 -11.036 -5.369) 12.881 1.781 ( 3.911 11.036 -5.369) 12.881 2.331 ( 6.455 -6.242 7.375) 11.620 2.331 ( 6.455 6.242 7.375) 11.620 2.676 ( 0.909 -5.281 -4.259) 6.845 2.676 ( 0.909 5.281 -4.259) 6.845 3.061 ( 3.066 -8.848 -0.741) 9.393 3.061 ( 3.066 8.848 -0.741) 9.393 3.380 ( -3.734 -2.870 -1.638) 4.986 3.380 ( -3.734 2.870 -1.638) 4.986 3.654 ( -0.941 -3.546 -1.574) 3.992 3.654 ( -0.941 3.546 -1.574) 3.992 3.883 ( 9.194 -2.052 -1.745) 9.581 3.883 ( 9.194 2.052 -1.745) 9.581 4.180 ( 15.465 -11.134 2.949) 19.283 4.180 ( 15.465 11.134 2.949) 19.283 4.542 ( 3.790 -6.610 1.307) 7.730 4.542 ( 3.790 6.610 1.307) 7.730 4.764 ( 12.741 -8.777 -1.701) 15.565 4.764 ( 12.741 8.777 -1.701) 15.565 4.927 ( 4.183 -7.114 -7.343) 11.047 4.927 ( 4.183 7.114 -7.343) 11.047 5.498 ( -0.932 -5.668 2.556) 6.287 5.498 ( -0.932 5.668 2.556) 6.287 5.752 ( -6.632 -5.248 2.680) 8.872 5.752 ( -6.632 5.248 2.680) 8.872 6.070 ( -3.366 -4.196 1.837) 5.685 6.070 ( -3.366 4.196 1.837) 5.685 6.610 ( -0.404 -2.947 5.062) 5.871 6.610 ( -0.404 2.947 5.062) 5.871 7.082 ( -5.585 -4.700 -9.582) 12.045 7.082 ( -5.585 4.700 -9.582) 12.045 7.450 ( 0.174 -3.782 -1.356) 4.021 7.450 ( 0.174 3.782 -1.356) 4.021 7.979 ( -4.017 -11.300 -0.598) 12.008 7.979 ( -4.017 11.300 -0.598) 12.008 8.782 ( -4.355 -1.377 6.302) 7.783 8.782 ( -4.355 1.377 6.302) 7.783 9.049 ( 9.759 -4.320 -0.160) 10.674 9.049 ( 9.759 4.320 -0.160) 10.674 10.090 ( 4.276 -4.123 1.598) 6.151 10.090 ( 4.276 4.123 1.598) 6.151 10.202 ( -1.466 -3.887 -0.718) 4.216 10.202 ( -1.466 3.887 -0.718) 4.216 11.279 ( 3.625 -5.362 -1.956) 6.761 11.279 ( 3.625 5.362 -1.956) 6.761 11.558 ( -0.217 -5.187 0.702) 5.239 11.558 ( -0.217 5.187 0.702) 5.239 12.811 ( -0.764 -2.068 -1.118) 2.472 12.811 ( -0.764 2.068 -1.118) 2.472 13.142 ( 3.201 -1.952 -0.677) 3.810 13.142 ( 3.201 1.952 -0.677) 3.810 13.656 ( -6.852 -3.840 -4.520) 9.062 13.656 ( -6.852 3.840 -4.520) 9.062 14.290 ( -2.596 -12.098 -1.742) 12.495 14.290 ( -2.596 12.098 -1.742) 12.495 14.659 ( -2.381 -1.699 5.872) 6.560 14.659 ( -2.381 1.699 5.872) 6.560 15.675 ( -0.491 -5.104 2.136) 5.555 15.675 ( -0.491 5.104 2.136) 5.555 21.484 ( -2.014 -8.745 4.566) 10.068 21.484 ( -2.014 8.745 4.566) 10.068 21.798 ( -5.256 -4.817 -4.586) 8.477 21.798 ( -5.256 4.817 -4.586) 8.477 22.772 ( -5.170 -1.991 -0.817) 5.600 22.772 ( -5.170 1.991 -0.817) 5.600 23.454 ( 9.877 -3.939 0.740) 10.659 23.454 ( 9.877 3.939 0.740) 10.659 23.931 ( 2.655 -1.503 -2.119) 3.714 23.931 ( 2.655 1.503 -2.119) 3.714 24.454 ( -0.643 -2.893 0.983) 3.122 24.454 ( -0.643 2.893 0.983) 3.122 24.989 ( 9.459 -1.999 -1.091) 9.729 24.989 ( 9.459 1.999 -1.091) 9.729 25.427 ( 0.662 -3.832 1.506) 4.170 25.427 ( 0.662 3.832 1.506) 4.170 ======================= Grid point 118 (62/136) ======================= q-point: ( 0.36 -0.50 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 132 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.651 ( 0.689 -6.350 0.956) 6.459 1.651 ( 0.689 6.350 0.956) 6.459 1.845 ( 1.785 -11.525 6.188) 13.202 1.845 ( 1.785 11.525 6.188) 13.202 2.531 ( 9.425 -5.174 4.340) 11.594 2.531 ( 9.425 5.174 4.340) 11.594 2.625 ( -1.114 -5.761 -3.728) 6.952 2.625 ( -1.114 5.761 -3.728) 6.952 3.106 ( -1.055 -7.373 3.981) 8.445 3.106 ( -1.055 7.373 3.981) 8.445 3.268 ( -3.664 -5.682 -5.363) 8.630 3.268 ( -3.664 5.682 -5.363) 8.630 3.627 ( -1.378 -5.870 1.540) 6.223 3.627 ( -1.378 5.870 1.540) 6.223 3.835 ( -3.989 -2.433 -4.281) 6.337 3.835 ( -3.989 2.433 -4.281) 6.337 4.521 ( 12.396 -8.018 7.208) 16.429 4.521 ( 12.396 8.018 7.208) 16.429 4.692 ( 7.282 -3.118 1.503) 8.063 4.692 ( 7.282 3.118 1.503) 8.063 4.930 ( 11.194 -4.125 -5.804) 13.267 4.930 ( 11.194 4.125 -5.804) 13.267 5.013 ( 10.525 -5.031 -2.326) 11.895 5.013 ( 10.525 5.031 -2.326) 11.895 5.360 ( -13.299 -4.841 -1.397) 14.221 5.360 ( -13.299 4.841 -1.397) 14.221 5.691 ( -0.997 -8.131 1.789) 8.386 5.691 ( -0.997 8.131 1.789) 8.386 6.116 ( 3.948 -0.488 1.408) 4.219 6.116 ( 3.948 0.488 1.408) 4.219 6.680 ( 0.093 -3.447 5.197) 6.237 6.680 ( 0.093 3.447 5.197) 6.237 6.911 ( -2.784 -9.331 -7.011) 11.999 6.911 ( -2.784 9.331 -7.011) 11.999 7.453 ( -0.069 -5.149 0.263) 5.156 7.453 ( -0.069 5.149 0.263) 5.156 7.942 ( 2.976 -7.017 -2.977) 8.183 7.942 ( 2.976 7.017 -2.977) 8.183 8.685 ( -12.188 -2.894 4.059) 13.168 8.685 ( -12.188 2.894 4.059) 13.168 9.200 ( 7.305 -2.540 -0.102) 7.735 9.200 ( 7.305 2.540 -0.102) 7.735 10.109 ( -1.281 -2.953 -1.252) 3.454 10.109 ( -1.281 2.953 -1.252) 3.454 10.205 ( 1.265 -3.040 -0.070) 3.293 10.205 ( 1.265 3.040 -0.070) 3.293 11.337 ( 5.013 -5.423 -1.408) 7.518 11.337 ( 5.013 5.423 -1.408) 7.518 11.575 ( 0.444 -5.274 1.647) 5.543 11.575 ( 0.444 5.274 1.647) 5.543 12.793 ( -0.247 -2.471 -0.706) 2.582 12.793 ( -0.247 2.471 -0.706) 2.582 13.169 ( 0.562 -1.929 -0.704) 2.129 13.169 ( 0.562 1.929 -0.704) 2.129 13.523 ( -3.957 -3.416 -2.776) 5.919 13.523 ( -3.957 3.416 -2.776) 5.919 14.222 ( -2.769 -10.207 -2.225) 10.807 14.222 ( -2.769 10.207 -2.225) 10.807 14.698 ( -0.479 -1.647 6.381) 6.607 14.698 ( -0.479 1.647 6.381) 6.607 15.668 ( -1.406 -4.869 -0.110) 5.069 15.668 ( -1.406 4.869 -0.110) 5.069 21.492 ( -2.307 -9.188 4.305) 10.406 21.492 ( -2.307 9.188 4.305) 10.406 21.692 ( -2.411 -3.375 -3.343) 5.327 21.692 ( -2.411 3.375 -3.343) 5.327 22.691 ( -2.881 -2.375 -0.934) 3.849 22.691 ( -2.881 2.375 -0.934) 3.849 23.636 ( 8.795 -4.151 2.312) 9.997 23.636 ( 8.795 4.151 2.312) 9.997 23.926 ( -0.706 -3.241 -1.871) 3.808 23.926 ( -0.706 3.241 -1.871) 3.808 24.442 ( -1.001 -3.443 -0.153) 3.588 24.442 ( -1.001 3.443 -0.153) 3.588 25.119 ( 6.070 -1.835 0.044) 6.342 25.119 ( 6.070 1.835 0.044) 6.342 25.453 ( 1.464 -6.480 -0.323) 6.651 25.453 ( 1.464 6.480 -0.323) 6.651 ======================= Grid point 120 (63/136) ======================= q-point: ( 0.45 -0.50 -0.83) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 132 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.665 ( 0.076 -6.939 1.146) 7.034 1.665 ( 0.076 6.939 1.146) 7.034 1.928 ( -1.292 -11.813 9.817) 15.414 1.928 ( -1.292 11.813 9.817) 15.414 2.601 ( 1.947 -4.855 -1.336) 5.399 2.601 ( 1.947 4.855 -1.336) 5.399 2.698 ( 3.231 -5.245 0.184) 6.163 2.698 ( 3.231 5.245 0.184) 6.163 2.977 ( -6.030 -5.320 -4.089) 9.021 2.977 ( -6.030 5.320 -4.089) 9.021 3.324 ( 5.578 -3.814 6.602) 9.447 3.324 ( 5.578 3.814 6.602) 9.447 3.619 ( -1.499 -7.798 1.110) 8.018 3.619 ( -1.499 7.798 1.110) 8.018 3.776 ( -0.379 -3.724 1.376) 3.988 3.776 ( -0.379 3.724 1.376) 3.988 4.674 ( -3.293 -5.436 -3.755) 7.382 4.674 ( -3.293 5.436 -3.755) 7.382 4.746 ( 1.449 -10.257 1.391) 10.452 4.746 ( 1.449 10.257 1.391) 10.452 4.974 ( 2.230 -3.375 -0.623) 4.093 4.974 ( 2.230 3.375 -0.623) 4.093 5.200 ( 8.148 -4.719 -0.998) 9.468 5.200 ( 8.148 4.719 -0.998) 9.468 5.249 ( 2.484 -4.846 3.658) 6.560 5.249 ( 2.484 4.846 3.658) 6.560 5.683 ( -1.275 -6.737 -1.229) 6.966 5.683 ( -1.275 6.737 -1.229) 6.966 6.156 ( -0.433 -4.649 -2.144) 5.137 6.156 ( -0.433 4.649 -2.144) 5.137 6.639 ( -4.480 -1.541 -3.999) 6.200 6.639 ( -4.480 1.541 -3.999) 6.200 6.912 ( 4.108 -11.745 3.433) 12.907 6.912 ( 4.108 11.745 3.433) 12.907 7.450 ( -1.154 -10.364 2.156) 10.648 7.450 ( -1.154 10.364 2.156) 10.648 8.047 ( 12.891 -1.826 -4.146) 13.664 8.047 ( 12.891 1.826 -4.146) 13.664 8.460 ( -16.195 -4.376 1.196) 16.818 8.460 ( -16.195 4.376 1.196) 16.818 9.289 ( 2.744 -2.085 0.367) 3.466 9.289 ( 2.744 2.085 0.367) 3.466 10.071 ( -0.661 -3.240 -2.401) 4.086 10.071 ( -0.661 3.240 -2.401) 4.086 10.203 ( -0.328 -2.071 -2.197) 3.038 10.203 ( -0.328 2.071 -2.197) 3.038 11.419 ( 4.285 -5.887 1.220) 7.382 11.419 ( 4.285 5.887 1.220) 7.382 11.589 ( -1.065 -4.937 1.557) 5.285 11.589 ( -1.065 4.937 1.557) 5.285 12.789 ( 0.265 -2.253 -0.126) 2.272 12.789 ( 0.265 2.253 -0.126) 2.272 13.156 ( -0.124 -1.592 -1.822) 2.422 13.156 ( -0.124 1.592 -1.822) 2.422 13.475 ( -0.047 -2.359 -0.225) 2.370 13.475 ( -0.047 2.359 -0.225) 2.370 14.159 ( -1.345 -7.900 -3.347) 8.684 14.159 ( -1.345 7.900 -3.347) 8.684 14.758 ( -0.722 -1.320 7.924) 8.065 14.758 ( -0.722 1.320 7.924) 8.065 15.631 ( -1.182 -4.320 -2.558) 5.158 15.631 ( -1.182 4.320 -2.558) 5.158 21.482 ( -3.009 -9.087 2.971) 10.022 21.482 ( -3.009 9.087 2.971) 10.022 21.657 ( 1.226 -2.394 -1.495) 3.077 21.657 ( 1.226 2.394 -1.495) 3.077 22.659 ( -0.333 -2.530 -0.090) 2.553 22.659 ( -0.333 2.530 -0.090) 2.553 23.765 ( 1.758 -4.592 1.324) 5.092 23.765 ( 1.758 4.592 1.324) 5.092 23.897 ( 1.005 -3.607 -0.499) 3.777 23.897 ( 1.005 3.607 -0.499) 3.777 24.422 ( -0.767 -3.075 -0.768) 3.261 24.422 ( -0.767 3.075 -0.768) 3.261 25.195 ( 2.210 -3.184 0.950) 3.991 25.195 ( 2.210 3.184 0.950) 3.991 25.463 ( 0.619 -7.464 -1.673) 7.675 25.463 ( 0.619 7.464 -1.673) 7.675 ======================= Grid point 122 (64/136) ======================= q-point: (-0.45 -0.50 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 132 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.676 ( -2.369 -6.932 4.410) 8.551 1.676 ( -2.369 6.932 4.410) 8.551 2.007 ( 0.163 -8.587 9.595) 12.877 2.007 ( 0.163 8.587 9.595) 12.877 2.496 ( -11.320 -4.438 -7.754) 14.421 2.496 ( -11.320 4.438 -7.754) 14.421 2.709 ( 3.913 -9.290 2.691) 10.434 2.709 ( 3.913 9.290 2.691) 10.434 3.011 ( 6.336 -4.018 1.270) 7.609 3.011 ( 6.336 4.018 1.270) 7.609 3.447 ( -0.780 -3.503 5.205) 6.322 3.447 ( -0.780 3.503 5.205) 6.322 3.620 ( 1.243 -7.390 1.799) 7.707 3.620 ( 1.243 7.390 1.799) 7.707 3.857 ( 5.846 -3.871 5.270) 8.771 3.857 ( 5.846 3.871 5.270) 8.771 4.461 ( -9.549 -7.458 -6.085) 13.558 4.461 ( -9.549 7.458 -6.085) 13.558 4.711 ( -3.348 -4.860 -3.246) 6.735 4.711 ( -3.348 4.860 -3.246) 6.735 5.114 ( 3.149 -0.229 2.065) 3.773 5.114 ( 3.149 0.229 2.065) 3.773 5.229 ( 2.730 -0.265 0.716) 2.835 5.229 ( 2.730 0.265 0.716) 2.835 5.375 ( 0.857 -4.300 6.528) 7.864 5.375 ( 0.857 4.300 6.528) 7.864 5.609 ( -5.116 -8.467 -1.461) 10.000 5.609 ( -5.116 8.467 -1.461) 10.000 6.051 ( -5.570 -6.551 -6.671) 10.884 6.051 ( -5.570 6.551 -6.671) 10.884 6.523 ( -2.229 -2.131 -5.000) 5.875 6.523 ( -2.229 2.131 -5.000) 5.875 7.066 ( 6.941 -10.234 6.402) 13.925 7.066 ( 6.941 10.234 6.402) 13.925 7.465 ( 1.293 -8.774 0.747) 8.900 7.465 ( 1.293 8.774 0.747) 8.900 8.157 ( -13.228 -4.138 -0.443) 13.867 8.157 ( -13.228 4.138 -0.443) 13.867 8.290 ( 13.198 -2.410 -3.645) 13.902 8.290 ( 13.198 2.410 -3.645) 13.902 9.296 ( -2.802 -2.274 0.734) 3.683 9.296 ( -2.802 2.274 0.734) 3.683 10.045 ( 1.100 -3.250 -3.473) 4.882 10.045 ( 1.100 3.250 -3.473) 4.882 10.163 ( -0.919 -3.504 -3.030) 4.723 10.163 ( -0.919 3.504 -3.030) 4.723 11.487 ( -0.044 -4.866 2.934) 5.682 11.487 ( -0.044 4.866 2.934) 5.682 11.569 ( -1.852 -5.006 1.156) 5.461 11.569 ( -1.852 5.006 1.156) 5.461 12.796 ( 0.393 -1.183 0.149) 1.256 12.796 ( 0.393 1.183 0.149) 1.256 13.145 ( 1.578 -1.836 -2.572) 3.533 13.145 ( 1.578 1.836 -2.572) 3.533 13.507 ( 2.941 -2.882 1.331) 4.327 13.507 ( 2.941 2.882 1.331) 4.327 14.112 ( 0.405 -6.299 -4.431) 7.712 14.112 ( 0.405 6.299 -4.431) 7.712 14.825 ( -1.614 -0.934 9.856) 10.031 14.825 ( -1.614 0.934 9.856) 10.031 15.582 ( -0.351 -4.109 -4.533) 6.129 15.582 ( -0.351 4.109 -4.533) 6.129 21.452 ( -2.733 -8.084 1.451) 8.656 21.452 ( -2.733 8.084 1.451) 8.656 21.701 ( 4.184 -3.333 0.478) 5.370 21.701 ( 4.184 3.333 0.478) 5.370 22.673 ( 1.579 -2.351 0.198) 2.839 22.673 ( 1.579 2.351 0.198) 2.839 23.711 ( -5.828 -4.844 -0.175) 7.580 23.711 ( -5.828 4.844 -0.175) 7.580 23.967 ( 3.998 -0.534 1.473) 4.295 23.967 ( 3.998 0.534 1.473) 4.295 24.401 ( -0.491 -1.921 -1.273) 2.356 24.401 ( -0.491 1.921 -1.273) 2.356 25.212 ( -1.630 -2.599 1.569) 3.445 25.212 ( -1.630 2.599 1.569) 3.445 25.437 ( -1.201 -7.161 -2.598) 7.711 25.437 ( -1.201 7.161 -2.598) 7.711 ======================= Grid point 124 (65/136) ======================= q-point: (-0.36 -0.50 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 132 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.655 ( -5.056 -11.497 4.346) 13.290 1.655 ( -5.056 11.497 4.346) 13.290 2.085 ( -7.201 -8.412 7.552) 13.403 2.085 ( -7.201 8.412 7.552) 13.403 2.264 ( -3.175 -4.888 -1.409) 5.997 2.264 ( -3.175 4.888 -1.409) 5.997 2.812 ( 3.833 -7.101 3.184) 8.675 2.812 ( 3.833 7.101 3.184) 8.675 3.096 ( 1.832 -2.953 -1.505) 3.786 3.096 ( 1.832 2.953 -1.505) 3.786 3.443 ( -0.973 -5.387 2.948) 6.218 3.443 ( -0.973 5.387 2.948) 6.218 3.671 ( 1.584 -7.857 1.307) 8.121 3.671 ( 1.584 7.857 1.307) 8.121 3.965 ( -1.418 -6.498 0.172) 6.653 3.965 ( -1.418 6.498 0.172) 6.653 4.344 ( -4.256 -1.677 3.133) 5.545 4.344 ( -4.256 1.677 3.133) 5.545 4.569 ( -6.976 -4.643 -2.369) 8.708 4.569 ( -6.976 4.643 -2.369) 8.708 5.054 ( -7.467 -6.150 -0.256) 9.677 5.054 ( -7.467 6.150 -0.256) 9.677 5.224 ( -5.950 -6.948 0.597) 9.167 5.224 ( -5.950 6.948 0.597) 9.167 5.392 ( -4.760 -3.749 -0.909) 6.127 5.392 ( -4.760 3.749 -0.909) 6.127 5.570 ( 3.461 -6.367 1.274) 7.358 5.570 ( 3.461 6.367 1.274) 7.358 5.913 ( -1.573 -1.214 -6.188) 6.499 5.913 ( -1.573 1.214 -6.188) 6.499 6.505 ( 3.614 -2.484 0.336) 4.399 6.505 ( 3.614 2.484 0.336) 4.399 7.219 ( 3.874 -6.007 2.992) 7.749 7.219 ( 3.874 6.007 2.992) 7.749 7.516 ( 3.266 -2.537 1.370) 4.356 7.516 ( 3.266 2.537 1.370) 4.356 7.934 ( -6.454 -5.351 -4.373) 9.455 7.934 ( -6.454 5.351 -4.373) 9.455 8.497 ( 10.313 -3.199 -0.209) 10.800 8.497 ( 10.313 3.199 -0.209) 10.800 9.205 ( -8.087 -2.628 0.407) 8.513 9.205 ( -8.087 2.628 0.407) 8.513 10.036 ( 1.040 -1.835 -3.364) 3.970 10.036 ( 1.040 1.835 -3.364) 3.970 10.129 ( 0.745 -2.918 -2.307) 3.793 10.129 ( 0.745 2.918 -2.307) 3.793 11.438 ( -6.365 -2.826 0.936) 7.027 11.438 ( -6.365 2.826 0.936) 7.027 11.581 ( 0.170 -7.048 2.356) 7.434 11.581 ( 0.170 7.048 2.356) 7.434 12.803 ( 0.410 -0.977 -0.169) 1.073 12.803 ( 0.410 0.977 -0.169) 1.073 13.154 ( 1.895 -3.253 -2.419) 4.475 13.154 ( 1.895 3.253 -2.419) 4.475 13.597 ( 6.002 -5.784 1.075) 8.404 13.597 ( 6.002 5.784 1.075) 8.404 14.088 ( 2.202 -5.819 -5.045) 8.010 14.088 ( 2.202 5.819 -5.045) 8.010 14.893 ( -2.682 -0.348 11.790) 12.096 14.893 ( -2.682 0.348 11.790) 12.096 15.534 ( 0.489 -4.224 -5.497) 6.950 15.534 ( 0.489 4.224 -5.497) 6.950 21.423 ( -1.847 -7.183 0.940) 7.476 21.423 ( -1.847 7.183 0.940) 7.476 21.806 ( 6.867 -5.470 1.517) 8.910 21.806 ( 6.867 5.470 1.517) 8.910 22.706 ( 2.364 -1.477 -0.778) 2.894 22.706 ( 2.364 1.477 -0.778) 2.894 23.604 ( -6.873 -4.836 1.171) 8.485 23.604 ( -6.873 4.836 1.171) 8.485 24.032 ( 1.895 -1.870 1.556) 3.084 24.032 ( 1.895 1.870 1.556) 3.084 24.376 ( -0.823 -0.619 -2.033) 2.279 24.376 ( -0.823 0.619 -2.033) 2.279 25.170 ( -5.293 -0.892 1.764) 5.650 25.170 ( -5.293 0.892 1.764) 5.650 25.375 ( -2.627 -4.448 -2.937) 5.942 25.375 ( -2.627 4.448 -2.937) 5.942 ======================= Grid point 126 (66/136) ======================= q-point: (-0.27 -0.50 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 132 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.589 ( -5.363 -14.812 0.424) 15.759 1.589 ( -5.363 14.812 0.424) 15.759 1.895 ( -15.620 -12.295 6.153) 20.809 1.895 ( -15.620 12.295 6.153) 20.809 2.355 ( 3.045 -3.500 6.267) 7.798 2.355 ( 3.045 3.500 6.267) 7.798 2.894 ( 1.567 -3.047 2.772) 4.407 2.894 ( 1.567 3.047 2.772) 4.407 3.055 ( -1.416 -2.920 -3.437) 4.727 3.055 ( -1.416 2.920 -3.437) 4.727 3.489 ( 1.015 -4.394 2.906) 5.365 3.489 ( 1.015 4.394 2.906) 5.365 3.659 ( -6.045 -5.868 -1.283) 8.522 3.659 ( -6.045 5.868 -1.283) 8.522 3.816 ( -10.622 -5.617 -3.589) 12.540 3.816 ( -10.622 5.617 -3.589) 12.540 4.125 ( -18.748 -8.449 3.211) 20.813 4.125 ( -18.748 8.449 3.211) 20.813 4.552 ( -1.753 -3.182 -1.530) 3.942 4.552 ( -1.753 3.182 -1.530) 3.942 4.928 ( -5.516 -5.760 2.278) 8.295 4.928 ( -5.516 5.760 2.278) 8.295 5.108 ( -5.239 -10.250 -3.100) 11.921 5.108 ( -5.239 10.250 -3.100) 11.921 5.318 ( -0.424 -7.780 0.630) 7.817 5.318 ( -0.424 7.780 0.630) 7.817 5.669 ( 6.835 -2.558 0.129) 7.299 5.669 ( 6.835 2.558 0.129) 7.299 5.868 ( 1.999 -3.267 -4.185) 5.673 5.868 ( 1.999 3.267 -4.185) 5.673 6.642 ( 7.651 -2.750 4.617) 9.350 6.642 ( 7.651 2.750 4.617) 9.350 7.252 ( 0.806 -4.906 -3.186) 5.905 7.252 ( 0.806 4.906 -3.186) 5.905 7.554 ( -0.245 -6.402 0.319) 6.415 7.554 ( -0.245 6.402 0.319) 6.415 7.906 ( 6.769 -6.323 -2.803) 9.677 7.906 ( 6.769 6.323 -2.803) 9.677 8.616 ( 2.047 -1.776 2.271) 3.536 8.616 ( 2.047 1.776 2.271) 3.536 9.043 ( -10.529 -2.870 0.321) 10.918 9.043 ( -10.529 2.870 0.321) 10.918 10.004 ( -1.459 -2.595 -1.284) 3.242 10.004 ( -1.459 2.595 -1.284) 3.242 10.145 ( 2.539 -1.937 -1.872) 3.702 10.145 ( 2.539 1.937 -1.872) 3.702 11.324 ( -6.503 -2.670 -0.724) 7.067 11.324 ( -6.503 2.670 -0.724) 7.067 11.603 ( 0.136 -7.675 1.837) 7.893 11.603 ( 0.136 7.675 1.837) 7.893 12.807 ( 0.640 -1.466 -0.933) 1.852 12.807 ( 0.640 1.466 -0.933) 1.852 13.152 ( -0.073 -4.358 -1.580) 4.636 13.152 ( -0.073 4.358 -1.580) 4.636 13.723 ( 8.348 -8.118 -1.279) 11.714 13.723 ( 8.348 8.118 -1.279) 11.714 14.093 ( 3.910 -6.257 -4.614) 8.702 14.093 ( 3.910 6.257 -4.614) 8.702 14.958 ( -3.928 -1.738 12.919) 13.615 14.958 ( -3.928 1.738 12.919) 13.615 15.498 ( 1.370 -4.440 -4.566) 6.514 15.498 ( 1.370 4.440 -4.566) 6.514 21.409 ( -0.905 -6.707 1.207) 6.875 21.409 ( -0.905 6.707 1.207) 6.875 21.967 ( 10.033 -7.942 1.721) 12.911 21.967 ( 10.033 7.942 1.721) 12.911 22.734 ( 2.509 -0.364 -2.103) 3.294 22.734 ( 2.509 0.364 -2.103) 3.294 23.500 ( -7.014 -3.385 1.780) 7.989 23.500 ( -7.014 3.385 1.780) 7.989 24.066 ( -0.113 -4.463 2.270) 5.008 24.066 ( -0.113 4.463 2.270) 5.008 24.324 ( -2.475 -4.156 -3.160) 5.778 24.324 ( -2.475 4.156 -3.160) 5.778 25.057 ( -9.295 -4.781 0.804) 10.483 25.057 ( -9.295 4.781 0.804) 10.483 25.308 ( -1.977 -2.174 -1.773) 3.432 25.308 ( -1.977 2.174 -1.773) 3.432 ======================= Grid point 128 (67/136) ======================= q-point: (-0.18 -0.50 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 132 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.476 ( -5.745 -12.576 -3.639) 14.297 1.476 ( -5.745 12.576 -3.639) 14.297 1.733 ( -14.776 -8.578 13.705) 21.903 1.733 ( -14.776 8.578 13.705) 21.903 2.392 ( -2.399 -3.459 -1.692) 4.536 2.392 ( -2.399 3.459 -1.692) 4.536 2.842 ( -9.363 -1.229 -0.263) 9.447 2.842 ( -9.363 1.229 -0.263) 9.447 3.047 ( -1.240 -4.795 1.217) 5.100 3.047 ( -1.240 4.795 1.217) 5.100 3.347 ( -17.567 -6.396 3.852) 19.088 3.347 ( -17.567 6.396 3.852) 19.088 3.523 ( -3.199 -7.938 -1.068) 8.625 3.523 ( -3.199 7.938 -1.068) 8.625 3.685 ( -2.122 -8.529 -4.212) 9.746 3.685 ( -2.122 8.529 -4.212) 9.746 3.889 ( -11.577 -8.789 3.227) 14.889 3.889 ( -11.577 8.789 3.227) 14.889 4.457 ( -1.157 -1.212 -5.813) 6.050 4.457 ( -1.157 1.212 -5.813) 6.050 4.873 ( -2.708 -1.179 -3.103) 4.284 4.873 ( -2.708 1.179 -3.103) 4.284 4.999 ( -3.473 -6.204 -1.563) 7.280 4.999 ( -3.473 6.204 -1.563) 7.280 5.400 ( 5.639 -9.147 3.591) 11.329 5.400 ( 5.639 9.147 3.591) 11.329 5.738 ( -2.033 -1.387 1.692) 2.987 5.738 ( -2.033 1.387 1.692) 2.987 5.977 ( 13.582 -1.221 0.714) 13.655 5.977 ( 13.582 1.221 0.714) 13.655 6.794 ( 5.272 -2.633 2.285) 6.320 6.794 ( 5.272 2.633 2.285) 6.320 7.190 ( -3.428 -4.737 -5.341) 7.920 7.190 ( -3.428 4.737 -5.341) 7.920 7.574 ( 5.881 -7.273 -3.544) 10.002 7.574 ( 5.881 7.273 -3.544) 10.002 8.033 ( 7.826 -5.932 -0.110) 9.821 8.033 ( 7.826 5.932 -0.110) 9.821 8.610 ( -6.324 -2.174 4.551) 8.089 8.610 ( -6.324 2.174 4.551) 8.089 8.866 ( -10.329 -2.601 0.679) 10.673 8.866 ( -10.329 2.601 0.679) 10.673 9.985 ( -0.558 -1.670 1.276) 2.174 9.985 ( -0.558 1.670 1.276) 2.174 10.154 ( 0.313 -1.651 -1.638) 2.346 10.154 ( 0.313 1.651 -1.638) 2.346 11.216 ( -4.023 -2.162 -1.800) 4.909 11.216 ( -4.023 2.162 -1.800) 4.909 11.630 ( 1.447 -8.073 1.081) 8.273 11.630 ( 1.447 8.073 1.081) 8.273 12.808 ( 1.261 -1.739 -1.990) 2.928 12.808 ( 1.261 1.739 -1.990) 2.928 13.119 ( -2.431 -4.868 -0.668) 5.482 13.119 ( -2.431 4.868 -0.668) 5.482 13.846 ( 8.940 -7.012 -4.512) 12.225 13.846 ( 8.940 7.012 -4.512) 12.225 14.132 ( 4.944 -5.776 -3.254) 8.270 14.132 ( 4.944 5.776 -3.254) 8.270 14.999 ( -5.619 -3.809 11.946) 13.740 14.999 ( -5.619 3.809 11.946) 13.740 15.500 ( 2.203 -5.152 -1.259) 5.743 15.500 ( 2.203 5.152 -1.259) 5.743 21.414 ( -0.320 -6.779 1.935) 7.057 21.414 ( -0.320 6.779 1.935) 7.057 22.182 ( 13.225 -8.804 0.326) 15.891 22.182 ( 13.225 8.804 0.326) 15.891 22.766 ( 4.313 -1.599 -1.624) 4.878 22.766 ( 4.313 1.599 -1.624) 4.878 23.390 ( -6.706 -2.098 -0.317) 7.034 23.390 ( -6.706 2.098 -0.317) 7.034 24.036 ( -8.020 -10.363 0.817) 13.130 24.036 ( -8.020 10.363 0.817) 13.130 24.243 ( -2.175 -2.842 -1.601) 3.921 24.243 ( -2.175 2.842 -1.601) 3.921 24.886 ( -9.815 -3.257 -0.251) 10.344 24.886 ( -9.815 3.257 -0.251) 10.344 25.280 ( -0.525 -6.685 0.523) 6.726 25.280 ( -0.525 6.685 0.523) 6.726 ======================= Grid point 130 (68/136) ======================= q-point: (-0.09 -0.50 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 132 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.321 ( -8.481 -8.589 -4.031) 12.726 1.321 ( -8.481 8.589 -4.031) 12.726 1.622 ( -13.922 -1.452 14.418) 20.095 1.622 ( -13.922 1.452 14.418) 20.095 2.254 ( -4.720 -5.728 -7.860) 10.810 2.254 ( -4.720 5.728 -7.860) 10.810 2.647 ( -10.968 -5.755 -0.907) 12.419 2.647 ( -10.968 5.755 -0.907) 12.419 2.943 ( -8.191 -7.518 1.299) 11.194 2.943 ( -8.191 7.518 1.299) 11.194 3.218 ( -3.613 -5.308 -1.125) 6.519 3.218 ( -3.613 5.308 -1.125) 6.519 3.441 ( -3.326 -11.459 -0.234) 11.934 3.441 ( -3.326 11.459 -0.234) 11.934 3.669 ( -1.006 -6.267 6.236) 8.898 3.669 ( -1.006 6.267 6.236) 8.898 3.802 ( -0.501 -7.873 -1.245) 7.987 3.802 ( -0.501 7.873 -1.245) 7.987 4.422 ( 3.312 -2.461 -6.202) 7.450 4.422 ( 3.312 2.461 -6.202) 7.450 4.784 ( -1.638 -3.350 -5.218) 6.414 4.784 ( -1.638 3.350 -5.218) 6.414 4.974 ( -0.377 -3.744 1.656) 4.112 4.974 ( -0.377 3.744 1.656) 4.112 5.518 ( 4.036 -9.141 0.964) 10.039 5.518 ( 4.036 9.141 0.964) 10.039 5.685 ( -3.016 -5.374 -1.839) 6.431 5.685 ( -3.016 5.374 -1.839) 6.431 6.226 ( 8.726 -1.517 5.630) 10.495 6.226 ( 8.726 1.517 5.630) 10.495 6.885 ( 3.693 -2.114 2.459) 4.915 6.885 ( 3.693 2.114 2.459) 4.915 7.054 ( -4.479 -6.409 -4.974) 9.267 7.054 ( -4.479 6.409 -4.974) 9.267 7.682 ( 9.859 -7.303 -4.195) 12.967 7.682 ( 9.859 7.303 -4.195) 12.967 8.134 ( 3.824 -3.115 -1.725) 5.225 8.134 ( 3.824 3.115 -1.725) 5.225 8.525 ( -8.070 -4.883 6.795) 11.625 8.525 ( -8.070 4.883 6.795) 11.625 8.710 ( -8.610 -1.297 1.456) 8.828 8.710 ( -8.610 1.297 1.456) 8.828 9.979 ( -1.943 -6.747 -0.802) 7.067 9.979 ( -1.943 6.747 -0.802) 7.067 10.150 ( 0.778 -4.966 1.179) 5.163 10.150 ( 0.778 4.966 1.179) 5.163 11.164 ( -0.358 -1.481 -0.943) 1.792 11.164 ( -0.358 1.481 -0.943) 1.792 11.666 ( 1.442 -7.892 0.443) 8.035 11.666 ( 1.442 7.892 0.443) 8.035 12.817 ( 2.746 -2.219 -2.978) 4.619 12.817 ( 2.746 2.219 -2.978) 4.619 13.061 ( -3.536 -4.556 -0.205) 5.771 13.061 ( -3.536 4.556 -0.205) 5.771 13.939 ( 7.547 -2.781 -5.924) 9.989 13.939 ( 7.547 2.781 -5.924) 9.989 14.191 ( 5.026 -3.908 -2.718) 6.923 14.191 ( 5.026 3.908 -2.718) 6.923 14.992 ( -7.819 -5.266 10.282) 13.950 14.992 ( -7.819 5.266 10.282) 13.950 15.537 ( 1.442 -6.215 1.251) 6.501 15.537 ( 1.442 6.215 1.251) 6.501 21.432 ( -0.411 -7.184 2.773) 7.712 21.432 ( -0.411 7.184 2.773) 7.712 22.371 ( 8.982 -5.811 -5.197) 11.893 22.371 ( 8.982 5.811 -5.197) 11.893 22.904 ( 12.638 -2.015 1.826) 12.927 22.904 ( 12.638 2.015 1.826) 12.927 23.260 ( -5.170 -1.719 -4.519) 7.079 23.260 ( -5.170 1.719 -4.519) 7.079 23.778 ( -18.840 -11.776 -0.891) 22.236 23.778 ( -18.840 11.776 -0.891) 22.236 24.250 ( 0.792 -2.089 3.137) 3.851 24.250 ( 0.792 2.089 3.137) 3.851 24.749 ( -5.083 -1.529 -0.864) 5.378 24.749 ( -5.083 1.529 -0.864) 5.378 25.296 ( 0.174 -8.178 2.907) 8.681 25.296 ( 0.174 8.178 2.907) 8.681 ======================= Grid point 154 (69/136) ======================= q-point: ( 0.00 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 136 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.892 ( 21.875 0.000 21.164) 30.437 1.049 ( -0.820 0.000 23.100) 23.114 1.597 ( -6.929 0.000 28.649) 29.475 1.683 ( -8.692 0.000 -13.305) 15.892 1.885 ( 4.759 0.000 -15.340) 16.061 1.956 ( -0.501 0.000 -1.225) 1.324 2.236 ( -0.924 0.000 -1.137) 1.465 2.345 ( -7.553 0.000 -13.374) 15.360 2.757 ( -2.701 0.000 3.165) 4.161 2.801 ( 3.683 0.000 1.866) 4.128 2.898 ( 2.475 0.000 4.252) 4.920 3.198 ( -8.721 0.000 -5.565) 10.345 3.238 ( -6.598 0.000 -3.892) 7.660 3.539 ( 8.708 0.000 -14.248) 16.698 3.717 ( 0.358 0.000 4.696) 4.709 3.888 ( 0.750 0.000 -3.757) 3.831 3.949 ( 7.297 0.000 15.408) 17.048 4.116 ( 2.758 0.000 9.775) 10.156 4.243 ( -6.359 0.000 1.277) 6.486 4.509 ( -0.662 0.000 4.194) 4.246 4.549 ( 5.638 0.000 -8.148) 9.908 4.685 ( -6.242 0.000 -6.077) 8.711 4.818 ( 2.972 0.000 -7.646) 8.204 4.832 ( 0.236 0.000 -6.341) 6.345 5.517 ( 6.258 0.000 7.575) 9.826 5.862 ( -9.778 0.000 -2.103) 10.001 5.886 ( 1.286 0.000 5.856) 5.996 6.030 ( -0.765 0.000 -3.922) 3.996 6.308 ( 2.251 0.000 6.878) 7.237 6.563 ( -8.863 0.000 -4.654) 10.010 6.784 ( 10.044 0.000 1.391) 10.140 6.823 ( -7.530 0.000 0.175) 7.533 7.144 ( 18.621 0.000 4.001) 19.046 7.405 ( -9.844 0.000 -6.174) 11.620 7.541 ( 0.799 0.000 4.960) 5.024 7.840 ( 5.245 0.000 -7.957) 9.531 7.878 ( -2.178 0.000 1.544) 2.670 8.044 ( 3.964 0.000 -6.903) 7.961 8.493 ( -6.921 0.000 1.291) 7.040 8.515 ( 8.934 0.000 1.420) 9.046 8.807 ( -8.293 0.000 6.263) 10.392 8.855 ( 5.419 0.000 3.817) 6.628 9.616 ( 0.233 0.000 1.190) 1.213 9.780 ( 0.517 0.000 -5.222) 5.248 10.197 ( 2.424 0.000 2.324) 3.358 10.292 ( -0.250 0.000 -1.443) 1.465 11.107 ( -2.616 0.000 1.573) 3.053 11.276 ( 4.441 0.000 -5.155) 6.804 11.705 ( 15.813 0.000 3.473) 16.190 11.814 ( -7.378 0.000 -1.066) 7.455 12.899 ( -3.435 0.000 -0.978) 3.571 12.913 ( 0.329 0.000 -0.815) 0.879 12.981 ( -0.339 0.000 5.809) 5.818 13.264 ( 2.887 0.000 3.200) 4.310 13.355 ( 3.353 0.000 -7.821) 8.509 13.501 ( -3.691 0.000 -4.197) 5.589 14.084 ( -5.364 0.000 3.226) 6.259 14.186 ( 6.409 0.000 -3.656) 7.379 15.084 ( -11.049 0.000 10.198) 15.036 15.341 ( 5.539 0.000 -0.959) 5.622 15.595 ( 10.251 0.000 2.409) 10.531 15.812 ( -25.390 0.000 -5.643) 26.010 21.193 ( -3.474 0.000 3.509) 4.938 21.354 ( 3.206 0.000 -3.223) 4.546 21.961 ( 0.831 0.000 5.395) 5.459 22.293 ( -1.572 0.000 -9.189) 9.323 22.888 ( -3.002 0.000 2.424) 3.859 22.950 ( 2.480 0.000 -0.499) 2.530 23.303 ( 10.903 0.000 5.491) 12.208 23.363 ( 3.484 0.000 1.503) 3.795 23.459 ( -6.799 0.000 -1.581) 6.981 23.669 ( -6.669 0.000 -9.783) 11.840 24.311 ( 2.915 0.000 4.592) 5.439 24.466 ( -0.419 0.000 -2.366) 2.403 24.720 ( -2.471 0.000 -0.685) 2.564 24.739 ( 0.950 0.000 -2.238) 2.432 25.502 ( 6.225 0.000 6.259) 8.827 25.632 ( -2.479 0.000 -0.068) 2.480 ======================= Grid point 155 (70/136) ======================= q-point: ( 0.09 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 136 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.282 ( 3.366 0.000 17.546) 17.866 1.429 ( 10.857 0.000 17.971) 20.996 1.516 ( 3.114 0.000 -20.104) 20.343 1.885 ( 7.689 0.000 -6.083) 9.804 1.966 ( 21.918 0.000 10.779) 24.425 2.083 ( 16.516 0.000 1.069) 16.551 2.227 ( 11.466 0.000 -7.656) 13.787 2.239 ( 0.696 0.000 0.872) 1.116 2.833 ( 8.267 0.000 0.980) 8.325 2.860 ( 3.695 0.000 1.442) 3.967 3.034 ( -1.705 0.000 -4.253) 4.582 3.034 ( 2.317 0.000 10.456) 10.710 3.138 ( 0.458 0.000 -3.186) 3.219 3.538 ( 5.688 0.000 -10.514) 11.954 3.760 ( -1.084 0.000 3.565) 3.726 3.850 ( -3.259 0.000 -2.419) 4.059 4.172 ( 0.191 0.000 -2.744) 2.751 4.184 ( 3.078 0.000 7.656) 8.251 4.273 ( 6.573 0.000 11.013) 12.826 4.404 ( -9.645 0.000 -11.767) 15.215 4.579 ( 3.919 0.000 5.250) 6.551 4.620 ( 6.399 0.000 -4.386) 7.758 4.797 ( 3.195 0.000 -7.069) 7.758 4.843 ( 3.965 0.000 -3.297) 5.157 5.626 ( -10.495 0.000 -2.888) 10.885 5.735 ( 8.361 0.000 9.456) 12.622 5.941 ( -0.562 0.000 1.933) 2.013 6.033 ( 1.606 0.000 -2.068) 2.619 6.377 ( -10.368 0.000 -1.892) 10.539 6.395 ( -3.859 0.000 8.276) 9.131 6.576 ( -15.352 0.000 -2.081) 15.492 6.869 ( -0.732 0.000 2.195) 2.314 7.121 ( -13.190 0.000 -9.208) 16.086 7.344 ( -9.046 0.000 2.559) 9.401 7.427 ( 0.599 0.000 3.334) 3.388 7.658 ( -8.619 0.000 -8.418) 12.048 7.928 ( -2.315 0.000 -0.650) 2.404 8.191 ( 13.888 0.000 -5.860) 15.074 8.496 ( 9.158 0.000 1.128) 9.227 8.731 ( 12.893 0.000 -0.484) 12.902 8.779 ( -2.075 0.000 7.571) 7.851 9.011 ( 6.088 0.000 0.527) 6.111 9.701 ( 7.299 0.000 2.393) 7.682 9.790 ( 5.814 0.000 -5.456) 7.973 10.247 ( 0.777 0.000 2.207) 2.340 10.274 ( 0.857 0.000 -3.564) 3.665 11.082 ( -1.486 0.000 1.257) 1.946 11.285 ( 2.013 0.000 -4.894) 5.292 11.664 ( -6.413 0.000 -4.147) 7.637 11.941 ( 9.030 0.000 -0.500) 9.044 12.840 ( -2.799 0.000 0.349) 2.821 12.906 ( -1.165 0.000 1.500) 1.900 13.025 ( -0.687 0.000 5.399) 5.443 13.258 ( 0.026 0.000 -8.892) 8.892 13.387 ( 1.685 0.000 4.157) 4.486 13.408 ( -1.469 0.000 -5.296) 5.495 14.027 ( -4.280 0.000 1.933) 4.696 14.275 ( 7.441 0.000 -2.510) 7.853 14.992 ( -11.141 0.000 10.797) 15.514 15.374 ( -21.377 0.000 1.126) 21.407 15.406 ( 3.633 0.000 -1.482) 3.924 15.813 ( 7.936 0.000 7.401) 10.851 21.172 ( -2.768 0.000 3.475) 4.443 21.387 ( 4.010 0.000 -3.135) 5.090 22.013 ( -1.639 0.000 6.968) 7.158 22.154 ( -4.328 0.000 -8.297) 9.358 22.891 ( 0.766 0.000 2.780) 2.883 23.009 ( -0.466 0.000 -0.446) 0.645 23.210 ( -4.665 0.000 -1.321) 4.849 23.283 ( -8.085 0.000 -3.537) 8.825 23.622 ( 15.736 0.000 7.932) 17.622 23.730 ( 11.141 0.000 -7.259) 13.297 24.388 ( 1.742 0.000 3.455) 3.869 24.418 ( -1.771 0.000 -3.827) 4.217 24.700 ( 0.767 0.000 -0.041) 0.769 24.777 ( 4.137 0.000 -0.484) 4.165 25.568 ( -3.407 0.000 -1.983) 3.942 25.646 ( 5.203 0.000 2.017) 5.581 ======================= Grid point 156 (71/136) ======================= q-point: ( 0.18 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 136 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.265 ( -1.932 0.000 -20.699) 20.789 1.560 ( 5.970 0.000 11.975) 13.381 1.655 ( 0.831 0.000 15.826) 15.848 1.886 ( 5.835 0.000 -11.922) 13.274 2.292 ( 3.052 0.000 4.872) 5.749 2.353 ( 12.865 0.000 5.169) 13.865 2.391 ( 10.332 0.000 4.156) 11.137 2.582 ( 20.192 0.000 -3.805) 20.547 2.991 ( 5.696 0.000 1.699) 5.944 3.030 ( 19.479 0.000 -8.510) 21.257 3.083 ( 7.580 0.000 -1.380) 7.704 3.160 ( 7.647 0.000 6.902) 10.301 3.304 ( 18.160 0.000 9.154) 20.337 3.552 ( 2.001 0.000 -2.568) 3.256 3.724 ( -5.718 0.000 -1.190) 5.840 3.742 ( -4.060 0.000 3.185) 5.160 4.096 ( -4.262 0.000 -11.190) 11.974 4.255 ( -0.958 0.000 6.374) 6.446 4.274 ( 7.884 0.000 -3.892) 8.792 4.473 ( 7.295 0.000 2.178) 7.613 4.728 ( 9.941 0.000 -2.583) 10.271 4.760 ( 9.473 0.000 1.421) 9.579 4.804 ( 3.168 0.000 3.753) 4.911 4.876 ( 3.317 0.000 -3.784) 5.032 5.473 ( -5.011 0.000 -1.434) 5.212 5.816 ( -13.709 0.000 -2.291) 13.899 5.914 ( -4.302 0.000 0.592) 4.343 5.969 ( -8.163 0.000 -5.377) 9.775 6.135 ( -9.185 0.000 2.794) 9.601 6.208 ( -5.810 0.000 2.081) 6.172 6.618 ( 4.306 0.000 10.610) 11.451 6.820 ( -6.223 0.000 -0.413) 6.237 6.835 ( -8.991 0.000 -8.349) 12.270 7.139 ( -9.845 0.000 1.718) 9.994 7.467 ( -3.208 0.000 -8.418) 9.008 7.549 ( 3.802 0.000 3.716) 5.316 7.772 ( -10.181 0.000 -2.195) 10.415 8.334 ( 9.006 0.000 -5.874) 10.752 8.750 ( 15.080 0.000 0.778) 15.100 8.849 ( 1.923 0.000 5.932) 6.236 8.942 ( 11.365 0.000 -0.317) 11.370 9.040 ( -3.076 0.000 1.529) 3.435 9.846 ( 5.351 0.000 -3.310) 6.292 9.882 ( 9.011 0.000 3.687) 9.736 10.236 ( -0.155 0.000 -6.186) 6.188 10.265 ( -0.797 0.000 1.432) 1.639 11.094 ( 2.064 0.000 0.392) 2.100 11.243 ( -1.732 0.000 -4.255) 4.594 11.546 ( -0.618 0.000 -5.827) 5.860 12.011 ( -0.169 0.000 0.702) 0.722 12.813 ( -1.297 0.000 1.317) 1.849 12.902 ( -1.249 0.000 1.103) 1.666 13.067 ( -0.376 0.000 5.523) 5.535 13.138 ( -3.074 0.000 -9.428) 9.916 13.357 ( 2.105 0.000 -6.020) 6.377 13.452 ( 0.056 0.000 5.811) 5.811 13.971 ( -3.563 0.000 0.464) 3.593 14.389 ( 8.474 0.000 -2.849) 8.940 14.905 ( -10.343 0.000 7.838) 12.977 15.105 ( -13.520 0.000 5.949) 14.771 15.439 ( 2.101 0.000 -1.891) 2.827 15.963 ( 0.354 0.000 6.939) 6.948 21.169 ( -1.692 0.000 3.888) 4.240 21.426 ( 4.103 0.000 -3.396) 5.326 21.992 ( -5.627 0.000 -7.006) 8.986 22.039 ( -3.557 0.000 7.494) 8.295 22.867 ( -9.731 0.000 -0.980) 9.781 22.928 ( -2.698 0.000 2.575) 3.729 23.166 ( 2.374 0.000 -3.470) 4.204 23.312 ( 11.735 0.000 -1.302) 11.807 23.811 ( 6.246 0.000 -6.313) 8.881 23.976 ( 13.826 0.000 9.395) 16.716 24.333 ( -2.887 0.000 -4.871) 5.662 24.451 ( 2.524 0.000 2.274) 3.397 24.746 ( 3.446 0.000 1.969) 3.968 24.847 ( 3.280 0.000 1.064) 3.448 25.495 ( -1.754 0.000 -2.827) 3.327 25.719 ( 3.119 0.000 -1.472) 3.449 ======================= Grid point 157 (72/136) ======================= q-point: ( 0.27 0.00 -0.67) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 136 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.066 ( 1.633 0.000 -14.611) 14.702 1.771 ( 5.539 0.000 10.152) 11.564 1.817 ( -4.872 0.000 22.827) 23.341 1.901 ( 13.670 0.000 -17.510) 22.214 2.436 ( 6.152 0.000 6.526) 8.969 2.508 ( -0.837 0.000 6.969) 7.019 2.538 ( 5.415 0.000 2.221) 5.853 2.748 ( 7.407 0.000 -3.485) 8.186 3.002 ( -1.705 0.000 -3.276) 3.693 3.035 ( -3.363 0.000 -5.295) 6.273 3.337 ( 11.135 0.000 -4.751) 12.107 3.421 ( 8.221 0.000 14.606) 16.761 3.519 ( 0.390 0.000 -2.376) 2.408 3.607 ( -3.293 0.000 1.022) 3.448 3.673 ( 1.325 0.000 -3.669) 3.901 3.931 ( 25.072 0.000 7.307) 26.115 4.164 ( 22.632 0.000 -0.929) 22.652 4.293 ( 0.273 0.000 3.370) 3.381 4.384 ( 6.805 0.000 -3.082) 7.471 4.587 ( 7.215 0.000 -2.820) 7.746 4.784 ( 2.356 0.000 -3.469) 4.193 4.834 ( -6.255 0.000 -4.490) 7.700 4.878 ( 8.303 0.000 -2.205) 8.590 5.088 ( 11.571 0.000 14.067) 18.215 5.413 ( -0.658 0.000 -1.795) 1.912 5.428 ( -16.745 0.000 -4.176) 17.257 5.692 ( -16.267 0.000 -2.593) 16.473 5.812 ( -0.583 0.000 -1.889) 1.977 6.193 ( 0.931 0.000 -0.918) 1.308 6.210 ( 4.262 0.000 3.438) 5.476 6.630 ( -7.779 0.000 -7.423) 10.752 6.634 ( -12.190 0.000 -4.782) 13.094 6.751 ( -2.199 0.000 9.730) 9.975 7.089 ( 1.204 0.000 3.980) 4.158 7.441 ( 9.430 0.000 -4.809) 10.586 7.557 ( -6.180 0.000 1.300) 6.315 7.667 ( 1.208 0.000 -0.904) 1.509 8.377 ( 1.960 0.000 -5.485) 5.825 8.868 ( -6.997 0.000 -0.287) 7.003 8.902 ( -0.593 0.000 0.566) 0.820 9.047 ( 6.051 0.000 3.453) 6.967 9.129 ( 10.220 0.000 0.810) 10.252 9.911 ( 4.858 0.000 -1.474) 5.077 10.039 ( 4.487 0.000 3.028) 5.413 10.156 ( -1.414 0.000 -6.306) 6.463 10.246 ( -1.986 0.000 -0.299) 2.008 11.153 ( 4.513 0.000 -0.661) 4.561 11.173 ( -0.963 0.000 -3.158) 3.301 11.538 ( 4.564 0.000 -3.481) 5.740 11.980 ( -4.573 0.000 2.652) 5.286 12.822 ( 0.669 0.000 1.753) 1.877 12.875 ( -2.378 0.000 -0.120) 2.381 12.984 ( -4.397 0.000 -8.025) 9.151 13.116 ( -0.356 0.000 5.044) 5.057 13.363 ( 5.079 0.000 -5.773) 7.689 13.504 ( -1.299 0.000 7.115) 7.232 13.915 ( -2.592 0.000 -0.930) 2.754 14.485 ( 6.354 0.000 -6.351) 8.984 14.788 ( -9.089 0.000 6.472) 11.158 15.024 ( -6.837 0.000 10.959) 12.917 15.442 ( 0.755 0.000 -2.661) 2.766 15.953 ( -5.841 0.000 1.678) 6.077 21.188 ( -0.963 0.000 4.536) 4.637 21.463 ( 4.155 0.000 -3.570) 5.478 21.838 ( -4.758 0.000 -5.509) 7.280 22.034 ( -5.213 0.000 6.935) 8.676 22.712 ( -6.673 0.000 -1.552) 6.851 22.847 ( -4.787 0.000 -0.952) 4.881 23.304 ( 10.211 0.000 3.720) 10.868 23.509 ( 11.853 0.000 -1.018) 11.896 23.837 ( 3.306 0.000 -4.591) 5.658 24.139 ( -2.978 0.000 -2.554) 3.923 24.319 ( 6.697 0.000 1.465) 6.855 24.513 ( 2.937 0.000 0.067) 2.938 24.851 ( 4.105 0.000 5.392) 6.776 24.907 ( 1.622 0.000 2.835) 3.266 25.468 ( 1.083 0.000 -1.345) 1.727 25.735 ( 2.199 0.000 -4.061) 4.618 ======================= Grid point 158 (73/136) ======================= q-point: ( 0.36 0.00 -0.67) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 136 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.102 ( 10.791 0.000 0.498) 10.803 1.890 ( -7.957 0.000 17.598) 19.314 1.934 ( 2.419 0.000 8.418) 8.759 2.023 ( 13.425 0.000 -10.645) 17.133 2.499 ( -4.723 0.000 2.460) 5.326 2.604 ( 3.788 0.000 6.639) 7.643 2.630 ( 5.636 0.000 -0.516) 5.660 2.805 ( 2.597 0.000 -6.222) 6.742 2.923 ( -4.910 0.000 0.279) 4.918 2.936 ( 0.534 0.000 -2.718) 2.770 3.371 ( 0.006 0.000 0.430) 0.430 3.491 ( -8.063 0.000 2.261) 8.374 3.533 ( 6.528 0.000 -3.792) 7.550 3.697 ( 2.368 0.000 18.492) 18.643 3.785 ( 9.662 0.000 3.091) 10.144 4.191 ( -1.098 0.000 2.387) 2.627 4.357 ( 4.871 0.000 -2.481) 5.466 4.406 ( -4.361 0.000 -1.191) 4.520 4.508 ( -1.679 0.000 -6.877) 7.079 4.692 ( 5.241 0.000 -5.444) 7.557 4.746 ( 20.306 0.000 2.042) 20.409 4.851 ( 11.643 0.000 -0.422) 11.651 4.972 ( 8.431 0.000 -1.834) 8.628 5.282 ( -0.722 0.000 0.751) 1.042 5.334 ( -7.650 0.000 1.447) 7.785 5.392 ( 0.569 0.000 -4.899) 4.932 5.497 ( 2.798 0.000 12.285) 12.599 5.859 ( 4.983 0.000 -1.168) 5.118 6.200 ( 1.973 0.000 -2.625) 3.284 6.251 ( -2.358 0.000 -8.183) 8.516 6.358 ( -11.313 0.000 -5.115) 12.416 6.395 ( -9.170 0.000 -1.205) 9.249 6.773 ( -3.182 0.000 8.132) 8.732 7.228 ( 6.893 0.000 5.680) 8.932 7.494 ( -0.881 0.000 0.346) 0.947 7.680 ( 19.651 0.000 -1.362) 19.698 7.689 ( 3.103 0.000 -1.844) 3.609 8.283 ( -6.190 0.000 -6.541) 9.006 8.643 ( -18.195 0.000 2.533) 18.370 8.819 ( -6.624 0.000 -4.784) 8.171 9.188 ( 6.204 0.000 1.644) 6.418 9.300 ( 8.129 0.000 1.008) 8.191 9.953 ( 1.301 0.000 -3.670) 3.894 10.079 ( -1.206 0.000 -0.536) 1.320 10.103 ( 1.471 0.000 -2.009) 2.490 10.197 ( -2.105 0.000 -1.756) 2.741 11.171 ( 2.637 0.000 -0.471) 2.678 11.225 ( 4.632 0.000 -1.151) 4.772 11.618 ( 5.904 0.000 0.232) 5.908 11.918 ( -5.874 0.000 3.348) 6.761 12.827 ( -2.173 0.000 -1.069) 2.421 12.839 ( -2.840 0.000 -4.661) 5.458 12.880 ( 2.406 0.000 1.138) 2.662 13.137 ( -2.257 0.000 3.464) 4.134 13.416 ( 6.875 0.000 -4.568) 8.254 13.539 ( -3.191 0.000 7.359) 8.021 13.875 ( -0.537 0.000 -0.945) 1.087 14.437 ( -2.067 0.000 -9.058) 9.291 14.792 ( -0.082 0.000 9.165) 9.166 15.044 ( -4.200 0.000 11.603) 12.340 15.414 ( -0.376 0.000 -3.690) 3.709 15.826 ( -6.503 0.000 -4.041) 7.656 21.220 ( -1.013 0.000 5.110) 5.210 21.498 ( 3.889 0.000 -3.873) 5.489 21.740 ( -1.233 0.000 -2.771) 3.033 21.993 ( -6.374 0.000 5.057) 8.137 22.612 ( -3.259 0.000 -1.155) 3.458 22.779 ( -2.180 0.000 -0.891) 2.355 23.516 ( 6.826 0.000 6.530) 9.446 23.680 ( 8.989 0.000 -2.352) 9.292 23.855 ( 2.813 0.000 -0.850) 2.939 24.020 ( -3.373 0.000 -4.708) 5.791 24.416 ( 3.348 0.000 -1.918) 3.859 24.534 ( 0.640 0.000 -2.841) 2.912 24.964 ( 0.844 0.000 4.478) 4.557 24.969 ( 2.533 0.000 6.036) 6.546 25.494 ( 1.305 0.000 1.299) 1.842 25.726 ( 2.604 0.000 -5.619) 6.193 ======================= Grid point 159 (74/136) ======================= q-point: ( 0.45 0.00 -0.67) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 136 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.396 ( 14.936 0.000 10.495) 18.254 1.881 ( -14.190 0.000 17.416) 22.465 2.000 ( -3.599 0.000 5.360) 6.457 2.120 ( 12.434 0.000 -13.568) 18.404 2.406 ( -4.706 0.000 0.473) 4.730 2.671 ( -1.294 0.000 -8.459) 8.558 2.705 ( 0.286 0.000 7.179) 7.185 2.786 ( 5.906 0.000 0.619) 5.939 2.882 ( -2.282 0.000 2.700) 3.535 2.976 ( 4.202 0.000 -2.639) 4.961 3.393 ( -5.396 0.000 3.764) 6.579 3.414 ( 1.730 0.000 2.360) 2.927 3.660 ( 10.193 0.000 0.582) 10.210 3.839 ( -5.300 0.000 12.630) 13.697 4.007 ( 9.502 0.000 2.369) 9.793 4.131 ( -5.622 0.000 2.006) 5.969 4.239 ( -6.334 0.000 6.402) 9.006 4.389 ( 2.285 0.000 -2.777) 3.597 4.463 ( 1.382 0.000 -4.330) 4.545 4.624 ( -2.312 0.000 -8.287) 8.603 4.947 ( 5.074 0.000 -1.171) 5.208 5.024 ( 0.517 0.000 -2.328) 2.385 5.172 ( -4.296 0.000 5.066) 6.642 5.229 ( 10.216 0.000 -4.387) 11.118 5.316 ( -1.341 0.000 -6.538) 6.675 5.435 ( 17.438 0.000 7.391) 18.940 5.621 ( -7.629 0.000 7.524) 10.715 5.844 ( -11.590 0.000 -4.721) 12.515 5.962 ( -4.125 0.000 -10.193) 10.996 6.180 ( 1.057 0.000 -3.948) 4.087 6.312 ( 7.137 0.000 0.893) 7.193 6.369 ( -1.816 0.000 2.071) 2.754 6.834 ( 0.682 0.000 9.550) 9.574 7.336 ( 1.042 0.000 1.275) 1.646 7.513 ( 2.910 0.000 -1.807) 3.425 7.831 ( 13.908 0.000 3.531) 14.350 7.992 ( 7.108 0.000 -7.771) 10.532 8.088 ( 2.851 0.000 -2.229) 3.619 8.324 ( -21.532 0.000 3.623) 21.835 8.596 ( -10.882 0.000 -8.749) 13.963 9.290 ( 3.181 0.000 2.506) 4.049 9.414 ( 4.031 0.000 0.202) 4.036 9.901 ( -1.749 0.000 -3.006) 3.478 10.004 ( -4.327 0.000 -3.595) 5.625 10.148 ( 3.986 0.000 -1.425) 4.233 10.152 ( -0.983 0.000 -1.779) 2.033 11.231 ( 3.176 0.000 1.130) 3.371 11.282 ( 3.265 0.000 -1.403) 3.554 11.728 ( 5.197 0.000 2.288) 5.678 11.842 ( -6.617 0.000 3.069) 7.294 12.757 ( -1.716 0.000 -2.606) 3.120 12.786 ( -0.995 0.000 -1.696) 1.966 12.973 ( 5.577 0.000 2.057) 5.944 13.105 ( -4.040 0.000 1.293) 4.241 13.506 ( 7.643 0.000 -2.973) 8.201 13.528 ( -4.653 0.000 4.482) 6.461 13.887 ( 1.224 0.000 2.037) 2.377 14.297 ( -3.646 0.000 -8.254) 9.024 14.910 ( 2.693 0.000 9.310) 9.691 15.095 ( -3.258 0.000 11.848) 12.288 15.356 ( -1.516 0.000 -5.012) 5.236 15.681 ( -3.301 0.000 -7.444) 8.144 21.248 ( -1.693 0.000 5.456) 5.713 21.509 ( 2.099 0.000 -4.654) 5.105 21.758 ( 4.457 0.000 0.746) 4.519 21.914 ( -6.633 0.000 1.931) 6.908 22.581 ( -0.082 0.000 0.646) 0.651 22.743 ( -0.849 0.000 -1.754) 1.948 23.604 ( -3.201 0.000 4.607) 5.610 23.752 ( 3.890 0.000 -4.139) 5.680 23.939 ( 5.001 0.000 2.850) 5.756 23.999 ( 4.134 0.000 -0.833) 4.217 24.406 ( -0.622 0.000 -3.716) 3.768 24.476 ( -3.065 0.000 -4.712) 5.621 25.014 ( -0.499 0.000 4.661) 4.687 25.047 ( 0.627 0.000 4.217) 4.264 25.517 ( -0.981 0.000 2.286) 2.488 25.724 ( 3.835 0.000 -5.945) 7.074 ======================= Grid point 160 (75/136) ======================= q-point: (-0.45 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 136 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.716 ( -18.486 0.000 6.902) 19.732 1.724 ( 4.866 0.000 8.737) 10.001 1.899 ( -6.287 0.000 4.261) 7.595 2.214 ( 10.481 0.000 -7.979) 13.172 2.448 ( 4.539 0.000 6.622) 8.029 2.543 ( -2.352 0.000 -7.675) 8.027 2.741 ( -3.267 0.000 5.501) 6.398 2.883 ( -0.140 0.000 1.754) 1.760 2.907 ( 4.119 0.000 1.280) 4.313 2.989 ( 1.784 0.000 -3.775) 4.176 3.393 ( -0.379 0.000 4.683) 4.698 3.438 ( 1.696 0.000 -1.007) 1.973 3.758 ( -9.619 0.000 0.358) 9.625 3.899 ( 13.718 0.000 4.475) 14.429 4.020 ( -10.742 0.000 0.006) 10.742 4.084 ( -0.433 0.000 6.984) 6.998 4.346 ( -3.856 0.000 -3.067) 4.927 4.406 ( 10.413 0.000 1.060) 10.467 4.440 ( 0.059 0.000 -0.510) 0.513 4.515 ( -2.048 0.000 -5.614) 5.976 4.987 ( -0.678 0.000 0.032) 0.679 4.994 ( -0.560 0.000 -0.370) 0.671 5.047 ( -14.922 0.000 3.865) 15.414 5.280 ( 2.188 0.000 -3.904) 4.476 5.322 ( 1.150 0.000 2.377) 2.641 5.400 ( -17.092 0.000 -4.074) 17.571 5.547 ( -2.308 0.000 4.814) 5.339 5.854 ( 14.874 0.000 0.280) 14.877 5.933 ( 2.330 0.000 -1.250) 2.644 6.141 ( -1.080 0.000 -6.192) 6.285 6.299 ( -7.958 0.000 0.590) 7.980 6.440 ( 4.981 0.000 -1.543) 5.215 6.981 ( 4.500 0.000 10.914) 11.805 7.287 ( -2.015 0.000 -7.440) 7.708 7.628 ( 7.104 0.000 5.648) 9.076 7.766 ( -8.069 0.000 -8.568) 11.769 7.989 ( -15.870 0.000 3.623) 16.279 8.177 ( 14.900 0.000 6.444) 16.234 8.234 ( -7.122 0.000 -10.639) 12.803 8.436 ( 13.137 0.000 -2.341) 13.344 9.330 ( -2.321 0.000 3.131) 3.897 9.428 ( -1.981 0.000 -1.549) 2.514 9.877 ( 1.089 0.000 0.609) 1.248 9.896 ( -3.696 0.000 -2.894) 4.694 10.127 ( -0.254 0.000 -1.515) 1.536 10.188 ( 3.281 0.000 -3.305) 4.657 11.278 ( 1.034 0.000 0.341) 1.089 11.300 ( 0.689 0.000 -2.511) 2.604 11.751 ( -6.930 0.000 2.376) 7.326 11.833 ( 3.917 0.000 2.871) 4.856 12.731 ( 0.176 0.000 -0.187) 0.257 12.762 ( 0.306 0.000 -1.919) 1.944 13.032 ( -4.474 0.000 -0.555) 4.508 13.097 ( 6.424 0.000 1.389) 6.573 13.477 ( -3.930 0.000 0.863) 4.024 13.617 ( 7.628 0.000 -1.380) 7.752 13.948 ( 1.275 0.000 5.617) 5.760 14.161 ( -2.592 0.000 -8.530) 8.915 15.052 ( 2.762 0.000 8.930) 9.347 15.166 ( -2.278 0.000 13.998) 14.182 15.268 ( -1.808 0.000 -6.608) 6.851 15.575 ( -0.017 0.000 -8.698) 8.698 21.267 ( -2.473 0.000 5.647) 6.164 21.489 ( 1.108 0.000 -4.698) 4.827 21.811 ( -5.634 0.000 -0.846) 5.697 21.890 ( 8.464 0.000 2.445) 8.810 22.615 ( 2.005 0.000 2.428) 3.149 22.707 ( -0.465 0.000 -3.554) 3.584 23.559 ( -5.351 0.000 4.144) 6.767 23.771 ( 2.367 0.000 -1.804) 2.976 24.036 ( 3.154 0.000 -0.164) 3.159 24.052 ( 0.139 0.000 -1.700) 1.705 24.352 ( -5.637 0.000 -3.591) 6.683 24.366 ( 0.146 0.000 -0.564) 0.583 25.030 ( -2.326 0.000 3.697) 4.367 25.070 ( -2.042 0.000 2.832) 3.491 25.511 ( -1.733 0.000 2.204) 2.804 25.740 ( 4.306 0.000 -5.702) 7.145 ======================= Grid point 161 (76/136) ======================= q-point: (-0.36 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 136 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.397 ( -20.286 0.000 -2.860) 20.486 1.544 ( -18.693 0.000 2.586) 18.871 2.089 ( 6.692 0.000 10.346) 12.321 2.302 ( 2.884 0.000 0.890) 3.018 2.463 ( 2.132 0.000 -8.746) 9.002 2.541 ( -4.384 0.000 5.288) 6.869 2.784 ( 6.728 0.000 3.002) 7.367 2.874 ( -4.621 0.000 -3.366) 5.717 2.909 ( 3.065 0.000 -1.523) 3.422 3.038 ( 6.047 0.000 -2.960) 6.732 3.412 ( -2.709 0.000 2.111) 3.434 3.499 ( 5.692 0.000 0.435) 5.709 3.561 ( -10.453 0.000 -4.103) 11.229 3.759 ( -17.834 0.000 -0.343) 17.838 4.129 ( -6.684 0.000 6.446) 9.286 4.178 ( 12.737 0.000 2.436) 12.968 4.227 ( -9.908 0.000 4.199) 10.761 4.321 ( -12.846 0.000 3.901) 13.425 4.457 ( -1.197 0.000 -1.951) 2.289 4.513 ( 3.003 0.000 -8.258) 8.787 4.724 ( -19.414 0.000 2.642) 19.593 4.846 ( -11.794 0.000 -0.680) 11.814 5.021 ( 2.676 0.000 -5.380) 6.008 5.193 ( -1.106 0.000 0.781) 1.354 5.385 ( 8.442 0.000 -1.147) 8.520 5.389 ( 2.557 0.000 0.331) 2.578 5.666 ( 6.582 0.000 13.370) 14.902 5.948 ( -2.920 0.000 -3.855) 4.836 5.995 ( 1.173 0.000 1.110) 1.615 6.033 ( -2.256 0.000 -8.251) 8.553 6.181 ( -0.923 0.000 2.572) 2.733 6.439 ( -1.584 0.000 -2.849) 3.259 7.180 ( -0.177 0.000 -8.807) 8.809 7.189 ( 6.771 0.000 10.971) 12.892 7.606 ( -13.451 0.000 2.373) 13.659 7.638 ( 1.480 0.000 -5.862) 6.046 7.933 ( -9.174 0.000 -14.485) 17.146 7.999 ( 8.993 0.000 7.934) 11.993 8.489 ( 12.848 0.000 5.225) 13.869 8.675 ( 11.320 0.000 0.706) 11.342 9.265 ( -8.290 0.000 2.976) 8.808 9.327 ( -6.234 0.000 -2.928) 6.887 9.834 ( -1.895 0.000 -0.110) 1.899 9.948 ( 4.020 0.000 3.550) 5.363 10.103 ( -1.113 0.000 -1.796) 2.113 10.202 ( 2.620 0.000 -3.845) 4.653 11.252 ( -2.349 0.000 -3.948) 4.594 11.273 ( -0.707 0.000 -1.491) 1.651 11.651 ( -6.714 0.000 0.767) 6.758 11.915 ( 2.205 0.000 2.940) 3.675 12.757 ( 1.994 0.000 1.468) 2.476 12.759 ( 1.288 0.000 -1.434) 1.927 12.953 ( -3.152 0.000 -1.643) 3.554 13.201 ( 4.210 0.000 0.098) 4.211 13.421 ( -1.577 0.000 -2.183) 2.693 13.734 ( 5.712 0.000 0.920) 5.785 14.033 ( 0.685 0.000 8.150) 8.178 14.043 ( -0.116 0.000 -10.584) 10.585 15.146 ( -1.055 0.000 7.741) 7.813 15.176 ( -0.419 0.000 -7.749) 7.760 15.329 ( 3.223 0.000 18.217) 18.500 15.504 ( 1.553 0.000 -8.900) 9.035 21.273 ( -3.123 0.000 5.635) 6.443 21.456 ( 0.406 0.000 -4.758) 4.775 21.717 ( -3.512 0.000 -1.600) 3.859 22.081 ( 10.606 0.000 2.270) 10.847 22.664 ( 0.154 0.000 -4.103) 4.105 22.685 ( 2.783 0.000 2.884) 4.008 23.517 ( -4.632 0.000 4.339) 6.347 23.811 ( 1.651 0.000 2.778) 3.232 23.945 ( -7.895 0.000 -3.769) 8.749 23.967 ( -5.305 0.000 -11.018) 12.229 24.283 ( -1.499 0.000 3.330) 3.651 24.410 ( 2.631 0.000 2.324) 3.511 25.013 ( -3.062 0.000 2.752) 4.117 25.032 ( -4.856 0.000 1.899) 5.214 25.517 ( 0.008 0.000 2.528) 2.528 25.746 ( 2.798 0.000 -6.679) 7.242 ======================= Grid point 162 (77/136) ======================= q-point: (-0.27 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 136 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.991 ( -20.268 0.000 -6.750) 21.363 1.246 ( -21.072 0.000 7.893) 22.501 2.208 ( -0.744 0.000 3.198) 3.283 2.291 ( -8.879 0.000 3.335) 9.485 2.416 ( 0.414 0.000 -6.942) 6.954 2.467 ( -7.678 0.000 4.436) 8.867 2.738 ( -4.030 0.000 -6.341) 7.513 2.943 ( 3.863 0.000 -4.412) 5.864 2.983 ( 11.919 0.000 0.528) 11.931 3.087 ( 2.903 0.000 -6.523) 7.140 3.243 ( -22.628 0.000 0.470) 22.632 3.375 ( -4.657 0.000 1.816) 4.998 3.523 ( -7.646 0.000 4.469) 8.856 3.563 ( -9.071 0.000 -0.358) 9.078 3.772 ( -22.109 0.000 1.822) 22.184 4.096 ( -11.693 0.000 5.387) 12.874 4.196 ( -11.413 0.000 2.520) 11.688 4.300 ( -14.889 0.000 -0.196) 14.891 4.380 ( 9.049 0.000 -1.922) 9.251 4.469 ( -0.371 0.000 -2.370) 2.399 4.579 ( -1.725 0.000 3.047) 3.501 4.699 ( -2.823 0.000 -1.615) 3.252 4.983 ( -2.385 0.000 -4.611) 5.192 5.226 ( 0.311 0.000 4.773) 4.783 5.410 ( 5.569 0.000 -4.465) 7.138 5.493 ( 2.797 0.000 -2.539) 3.778 5.756 ( -6.684 0.000 -7.982) 10.411 5.898 ( 0.113 0.000 -0.418) 0.433 6.004 ( -1.100 0.000 4.610) 4.740 6.022 ( 12.353 0.000 7.583) 14.495 6.364 ( 12.910 0.000 6.412) 14.415 6.386 ( -1.606 0.000 0.757) 1.775 7.128 ( 3.515 0.000 -7.312) 8.113 7.399 ( -10.425 0.000 -1.649) 10.554 7.405 ( 6.780 0.000 7.946) 10.445 7.639 ( 4.056 0.000 -13.860) 14.441 7.719 ( 1.108 0.000 -5.167) 5.284 8.201 ( 4.274 0.000 5.062) 6.625 8.691 ( 5.671 0.000 2.360) 6.143 8.797 ( 0.414 0.000 2.354) 2.390 9.131 ( -9.993 0.000 3.710) 10.660 9.190 ( -6.453 0.000 -1.840) 6.711 9.814 ( -1.795 0.000 1.115) 2.113 10.046 ( 2.535 0.000 2.618) 3.644 10.054 ( -1.979 0.000 -1.585) 2.536 10.214 ( 2.483 0.000 -1.871) 3.109 11.166 ( -2.627 0.000 -3.355) 4.261 11.241 ( 0.044 0.000 -3.128) 3.128 11.520 ( -8.287 0.000 -1.792) 8.479 11.964 ( 0.144 0.000 2.893) 2.897 12.781 ( 1.946 0.000 0.513) 2.013 12.824 ( 3.573 0.000 2.255) 4.225 12.903 ( -0.436 0.000 -2.095) 2.140 13.229 ( -0.811 0.000 -0.372) 0.893 13.389 ( 2.105 0.000 -5.336) 5.736 13.795 ( -2.402 0.000 2.900) 3.765 13.980 ( 7.623 0.000 -12.890) 14.975 14.119 ( -0.835 0.000 9.010) 9.049 15.116 ( 2.448 0.000 -7.451) 7.843 15.185 ( -3.279 0.000 8.193) 8.825 15.454 ( 2.417 0.000 -8.371) 8.714 15.625 ( 9.436 0.000 20.066) 22.173 21.266 ( -3.763 0.000 5.025) 6.278 21.412 ( -0.069 0.000 -4.759) 4.759 21.674 ( -0.475 0.000 0.702) 0.848 22.278 ( 10.510 0.000 -0.769) 10.538 22.649 ( 1.987 0.000 -1.557) 2.525 22.762 ( 3.185 0.000 2.613) 4.119 23.457 ( -6.877 0.000 1.893) 7.133 23.668 ( -13.998 0.000 -9.590) 16.968 23.767 ( -8.447 0.000 -1.110) 8.520 23.917 ( 5.457 0.000 2.332) 5.934 24.306 ( -0.548 0.000 2.809) 2.862 24.467 ( 1.472 0.000 1.523) 2.118 24.952 ( -5.778 0.000 1.313) 5.926 24.985 ( -2.761 0.000 2.042) 3.434 25.559 ( 1.532 0.000 2.947) 3.322 25.685 ( -0.985 0.000 -10.315) 10.362 ======================= Grid point 163 (78/136) ======================= q-point: (-0.18 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 136 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.621 ( -16.731 0.000 -0.343) 16.735 1.002 ( -19.354 0.000 15.328) 24.688 2.028 ( -27.667 0.000 10.083) 29.447 2.159 ( -3.805 0.000 -3.170) 4.952 2.266 ( -7.936 0.000 -11.201) 13.727 2.365 ( -9.143 0.000 3.472) 9.780 2.695 ( 3.760 0.000 -1.386) 4.007 2.864 ( -17.577 0.000 1.008) 17.606 2.884 ( -18.163 0.000 -8.893) 20.224 2.953 ( -18.718 0.000 0.972) 18.743 2.971 ( -6.693 0.000 -8.565) 10.870 3.263 ( 5.014 0.000 4.020) 6.426 3.397 ( 0.710 0.000 6.778) 6.815 3.566 ( 4.820 0.000 4.573) 6.644 3.677 ( -4.718 0.000 -3.392) 5.811 3.892 ( -16.483 0.000 4.036) 16.970 3.981 ( -6.119 0.000 -5.976) 8.553 4.068 ( -11.732 0.000 1.053) 11.779 4.430 ( -2.074 0.000 -0.009) 2.074 4.478 ( 4.043 0.000 -2.326) 4.665 4.569 ( -5.359 0.000 4.792) 7.189 4.699 ( 2.579 0.000 -1.217) 2.852 4.880 ( -1.993 0.000 -4.672) 5.079 5.254 ( -3.637 0.000 -0.906) 3.748 5.368 ( -6.155 0.000 -4.703) 7.746 5.558 ( 12.139 0.000 4.173) 12.836 5.707 ( 2.263 0.000 3.359) 4.050 5.956 ( 10.876 0.000 -0.008) 10.876 6.077 ( 3.442 0.000 4.789) 5.898 6.253 ( 4.611 0.000 0.056) 4.611 6.479 ( 8.737 0.000 8.980) 12.529 6.651 ( 11.400 0.000 5.924) 12.848 7.129 ( 0.399 0.000 -11.962) 11.969 7.223 ( -3.375 0.000 0.493) 3.411 7.530 ( 7.168 0.000 -6.077) 9.397 7.603 ( 5.026 0.000 -4.751) 6.916 7.810 ( 10.553 0.000 -2.370) 10.816 8.196 ( -7.784 0.000 0.370) 7.793 8.720 ( -3.800 0.000 1.372) 4.040 8.733 ( -9.383 0.000 1.612) 9.520 9.012 ( -8.111 0.000 2.286) 8.427 9.063 ( -8.405 0.000 1.054) 8.471 9.758 ( -5.796 0.000 0.456) 5.814 10.035 ( -4.580 0.000 -2.510) 5.223 10.049 ( 2.379 0.000 0.784) 2.505 10.263 ( 3.138 0.000 0.996) 3.292 11.128 ( 0.432 0.000 0.189) 0.471 11.225 ( 2.565 0.000 -4.312) 5.017 11.359 ( -7.303 0.000 0.546) 7.323 11.972 ( -2.440 0.000 2.540) 3.522 12.838 ( 2.260 0.000 3.497) 4.164 12.894 ( 1.852 0.000 -2.485) 3.099 12.914 ( 4.039 0.000 1.666) 4.369 13.187 ( -3.198 0.000 0.594) 3.253 13.380 ( 3.991 0.000 -7.681) 8.656 13.721 ( -5.190 0.000 -1.744) 5.475 14.038 ( 9.319 0.000 -8.167) 12.391 14.164 ( -3.625 0.000 7.504) 8.333 15.129 ( 6.204 0.000 -4.756) 7.817 15.192 ( -5.444 0.000 8.573) 10.156 15.430 ( 3.706 0.000 -6.980) 7.903 16.014 ( 14.449 0.000 12.556) 19.143 21.244 ( -3.964 0.000 4.281) 5.835 21.368 ( 0.362 0.000 -4.391) 4.405 21.725 ( 3.215 0.000 5.037) 5.976 22.390 ( 6.195 0.000 -6.643) 9.083 22.728 ( 5.946 0.000 3.776) 7.043 22.863 ( 5.856 0.000 3.979) 7.080 23.308 ( -9.707 0.000 -0.967) 9.755 23.313 ( -14.937 0.000 -9.808) 17.869 23.655 ( -5.644 0.000 1.746) 5.908 24.056 ( 5.479 0.000 5.703) 7.908 24.288 ( -3.390 0.000 -1.794) 3.836 24.489 ( 0.324 0.000 0.031) 0.326 24.867 ( -5.277 0.000 0.787) 5.336 24.948 ( -3.212 0.000 -1.058) 3.382 25.500 ( -7.007 0.000 -11.346) 13.335 25.615 ( 1.383 0.000 2.726) 3.057 ======================= Grid point 164 (79/136) ======================= q-point: (-0.09 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 136 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.508 ( -3.867 0.000 19.649) 20.026 0.918 ( -10.796 0.000 22.080) 24.578 1.661 ( -30.096 0.000 25.092) 39.184 2.023 ( -2.413 0.000 -16.473) 16.648 2.038 ( -5.369 0.000 -5.070) 7.384 2.130 ( -25.551 0.000 -3.202) 25.751 2.341 ( -14.534 0.000 -0.968) 14.566 2.632 ( -7.361 0.000 -13.518) 15.392 2.742 ( -4.301 0.000 6.812) 8.056 2.830 ( -7.121 0.000 1.704) 7.322 2.837 ( 3.875 0.000 -2.706) 4.726 3.357 ( -2.067 0.000 -1.245) 2.413 3.407 ( -6.852 0.000 -2.166) 7.186 3.535 ( 3.741 0.000 -12.880) 13.412 3.666 ( 0.844 0.000 8.538) 8.579 3.759 ( -5.251 0.000 10.979) 12.170 3.909 ( 0.939 0.000 -4.065) 4.172 3.982 ( -0.213 0.000 7.639) 7.642 4.353 ( -6.836 0.000 0.716) 6.874 4.514 ( -5.031 0.000 4.867) 7.000 4.522 ( 5.208 0.000 -5.544) 7.607 4.728 ( 2.264 0.000 -2.042) 3.049 4.838 ( 2.407 0.000 -6.347) 6.787 5.022 ( -9.035 0.000 -10.903) 14.160 5.383 ( 2.403 0.000 4.830) 5.395 5.800 ( 1.379 0.000 7.146) 7.278 5.825 ( 8.074 0.000 6.418) 10.314 6.168 ( 1.296 0.000 -7.926) 8.031 6.193 ( 3.955 0.000 5.434) 6.720 6.402 ( 24.605 0.000 6.755) 25.515 6.760 ( 13.480 0.000 7.958) 15.654 6.830 ( 3.750 0.000 3.311) 5.002 6.840 ( -12.900 0.000 -12.269) 17.803 7.350 ( 10.129 0.000 3.622) 10.757 7.562 ( -3.359 0.000 -1.901) 3.859 7.680 ( 16.442 0.000 -11.206) 19.898 8.002 ( 11.605 0.000 -2.114) 11.796 8.013 ( -12.256 0.000 2.387) 12.486 8.542 ( -11.160 0.000 -0.471) 11.170 8.620 ( -9.016 0.000 2.338) 9.314 8.872 ( -9.046 0.000 2.037) 9.273 8.921 ( -10.591 0.000 4.508) 11.510 9.658 ( -5.403 0.000 0.720) 5.451 9.883 ( -6.722 0.000 -4.248) 7.952 10.122 ( 3.604 0.000 2.050) 4.146 10.302 ( 0.634 0.000 -0.369) 0.734 11.135 ( -1.870 0.000 1.184) 2.214 11.244 ( 4.643 0.000 -4.966) 6.798 11.405 ( 9.029 0.000 7.850) 11.964 11.924 ( -5.392 0.000 1.316) 5.551 12.904 ( 2.273 0.000 -1.519) 2.734 12.920 ( 1.214 0.000 4.519) 4.679 12.955 ( -0.556 0.000 -1.166) 1.292 13.180 ( 0.820 0.000 4.154) 4.234 13.372 ( 4.474 0.000 -9.039) 10.086 13.610 ( -4.556 0.000 -3.378) 5.672 14.116 ( 7.310 0.000 -5.577) 9.195 14.142 ( -5.576 0.000 4.967) 7.468 15.160 ( -8.376 0.000 9.109) 12.375 15.230 ( 7.973 0.000 -1.164) 8.058 15.458 ( 6.437 0.000 -4.056) 7.608 16.182 ( -3.245 0.000 -7.166) 7.866 21.219 ( -3.620 0.000 3.955) 5.362 21.345 ( 1.712 0.000 -3.749) 4.121 21.861 ( 4.841 0.000 5.687) 7.468 22.379 ( 1.931 0.000 -8.918) 9.125 22.875 ( 3.283 0.000 5.023) 6.001 23.011 ( -7.450 0.000 -1.076) 7.527 23.096 ( 13.242 0.000 2.652) 13.505 23.175 ( -1.953 0.000 -0.151) 1.959 23.574 ( -6.074 0.000 1.207) 6.193 24.069 ( -16.413 0.000 -11.165) 19.851 24.199 ( 4.182 0.000 5.748) 7.109 24.485 ( 0.052 0.000 -1.216) 1.217 24.786 ( -4.411 0.000 -0.077) 4.412 24.817 ( -5.663 0.000 -5.906) 8.182 25.373 ( -0.510 0.000 4.499) 4.528 25.648 ( -0.293 0.000 1.676) 1.701 ======================= Grid point 165 (80/136) ======================= q-point: ( 0.00 0.17 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 198 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.792 ( 12.397 -0.275 21.475) 24.798 1.243 ( -0.678 9.971 19.296) 21.730 1.660 ( -4.351 -2.393 -13.385) 14.276 1.759 ( -5.723 12.002 15.620) 20.513 1.877 ( 1.296 1.336 -9.064) 9.253 1.960 ( 0.816 -0.935 -2.752) 3.019 2.214 ( -0.167 0.826 -0.497) 0.979 2.416 ( -3.971 6.797 -8.833) 11.832 2.695 ( 1.712 -3.587 5.458) 6.752 2.809 ( 1.029 -0.430 -3.199) 3.388 2.878 ( -5.996 -2.107 5.707) 8.542 3.125 ( -3.828 -0.882 -4.876) 6.261 3.342 ( -5.277 6.096 -3.106) 8.640 3.557 ( 6.454 2.235 -12.017) 13.823 3.779 ( -3.112 4.504 3.789) 6.658 3.898 ( 6.756 -4.705 8.454) 11.801 4.002 ( 4.221 3.576 0.472) 5.552 4.062 ( 2.706 -0.981 7.372) 7.914 4.183 ( -7.349 -5.883 1.898) 9.603 4.514 ( 1.593 0.863 -0.055) 1.812 4.566 ( 5.977 0.177 -6.182) 8.601 4.671 ( -4.001 -0.721 -2.911) 5.000 4.816 ( -0.768 0.396 -6.310) 6.369 4.901 ( 1.589 6.162 -8.686) 10.768 5.512 ( 6.093 -0.910 6.844) 9.209 5.746 ( 0.407 -11.612 3.441) 12.118 5.785 ( -7.073 -7.535 1.723) 10.477 5.926 ( -2.436 -8.581 -4.711) 10.088 6.356 ( 3.183 2.652 4.723) 6.283 6.519 ( -7.681 -3.760 -2.950) 9.046 6.789 ( 8.379 2.475 3.567) 9.437 6.880 ( -7.210 4.213 0.429) 8.362 7.110 ( 13.299 -2.262 5.105) 14.423 7.337 ( -4.291 -6.286 -4.761) 8.978 7.556 ( 1.429 1.777 3.738) 4.379 7.827 ( 5.786 -1.330 -7.761) 9.771 7.927 ( -5.524 4.033 0.739) 6.879 8.057 ( 3.433 0.837 -5.641) 6.657 8.496 ( -2.971 0.810 2.350) 3.874 8.533 ( 4.534 1.750 0.877) 4.939 8.804 ( -8.151 -1.004 5.496) 9.883 8.842 ( 4.363 -1.367 3.662) 5.858 9.665 ( 0.345 4.422 0.924) 4.531 9.811 ( -0.125 2.614 -4.826) 5.490 10.212 ( 2.036 1.228 1.702) 2.924 10.284 ( -0.227 -0.676 -0.958) 1.194 11.113 ( -2.078 0.771 1.824) 2.870 11.273 ( 4.640 -0.468 -4.280) 6.329 11.637 ( 6.415 -3.722 6.181) 9.654 11.832 ( -2.537 -0.641 -3.156) 4.100 12.792 ( -1.444 -4.614 1.439) 5.044 12.901 ( 3.147 -2.476 -2.280) 4.608 12.986 ( 1.263 -0.282 2.219) 2.569 13.199 ( -2.212 -8.924 -5.888) 10.918 13.481 ( 2.986 15.582 -0.227) 15.867 13.658 ( 0.356 9.400 -5.824) 11.064 14.117 ( -4.343 3.118 2.916) 6.090 14.200 ( 5.580 1.330 -2.826) 6.394 15.069 ( -9.847 -1.321 9.595) 13.812 15.317 ( 1.875 -3.154 -1.480) 3.957 15.560 ( 6.377 -2.457 4.432) 8.145 15.760 ( -16.420 -4.279 -3.203) 17.268 21.251 ( -3.089 5.597 4.267) 7.686 21.485 ( 1.866 10.428 -6.435) 12.395 21.951 ( 0.551 -0.567 3.835) 3.916 22.276 ( -1.366 -1.770 -9.489) 9.749 22.907 ( -2.951 1.855 1.621) 3.844 22.960 ( 1.702 0.955 -0.596) 2.041 23.309 ( 10.610 0.335 4.764) 11.635 23.354 ( 6.190 -0.798 1.356) 6.387 23.446 ( -8.225 -0.932 -1.058) 8.345 23.650 ( -6.546 -1.944 -8.312) 10.758 24.323 ( 2.401 1.232 4.479) 5.229 24.471 ( -0.299 0.393 -1.529) 1.606 24.664 ( -0.160 -4.193 0.051) 4.196 24.740 ( -0.533 -0.962 -2.421) 2.659 25.444 ( 4.736 -4.066 8.360) 10.433 25.602 ( -2.258 -3.081 0.009) 3.820 ======================= Grid point 166 (81/136) ======================= q-point: ( 0.09 0.17 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 198 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.227 ( 11.440 -2.590 16.786) 20.479 1.445 ( 2.523 -0.882 5.518) 6.131 1.534 ( 3.833 2.726 -6.659) 8.152 1.859 ( 9.018 0.298 -4.797) 10.219 1.972 ( 10.022 -3.565 0.047) 10.637 2.134 ( 19.657 0.715 1.312) 19.713 2.307 ( 12.891 11.630 4.042) 17.826 2.335 ( 2.328 9.022 -3.651) 10.007 2.803 ( 7.165 -3.678 2.605) 8.464 2.848 ( 6.362 0.172 1.546) 6.550 2.907 ( 0.147 -5.489 2.814) 6.170 3.081 ( 3.464 2.708 2.066) 4.858 3.242 ( -1.629 7.930 -3.653) 8.882 3.578 ( 7.479 2.835 -9.006) 12.045 3.741 ( -4.126 1.078 2.590) 4.990 3.966 ( -6.452 5.356 -1.618) 8.540 4.072 ( 0.031 -9.361 4.263) 10.286 4.137 ( 6.022 -2.513 0.104) 6.526 4.213 ( 5.650 -4.734 5.476) 9.183 4.482 ( -9.179 4.985 -6.669) 12.393 4.582 ( 6.118 0.737 0.552) 6.187 4.637 ( 5.850 1.016 -0.543) 5.962 4.761 ( 0.621 -2.121 -4.285) 4.821 4.900 ( 4.937 4.444 -6.154) 9.055 5.581 ( -9.252 -4.054 -1.830) 10.265 5.713 ( 7.474 -3.028 7.729) 11.170 5.775 ( -2.132 -11.923 1.194) 12.171 5.960 ( 5.597 -7.605 -0.454) 9.454 6.340 ( -9.848 -1.005 0.519) 9.913 6.452 ( -1.304 0.464 4.347) 4.562 6.628 ( -16.740 4.565 -1.395) 17.407 6.874 ( -3.585 2.698 2.106) 4.956 7.105 ( -8.592 -1.517 -5.141) 10.127 7.353 ( 4.897 -5.584 0.798) 7.470 7.418 ( -13.209 5.167 0.400) 14.189 7.665 ( -7.638 0.159 -7.766) 10.894 7.923 ( -2.900 0.409 0.228) 2.938 8.216 ( 13.410 1.129 -4.386) 14.154 8.509 ( 8.127 1.616 1.084) 8.357 8.718 ( 10.994 -0.734 0.057) 11.019 8.756 ( -2.620 -1.937 7.073) 7.787 8.994 ( 6.643 -1.995 1.406) 7.077 9.713 ( 4.815 2.213 0.368) 5.312 9.855 ( 8.093 4.457 -2.597) 9.597 10.222 ( -1.209 -1.275 0.174) 1.766 10.287 ( 1.173 0.415 -1.228) 1.748 11.092 ( -1.679 1.326 1.356) 2.533 11.292 ( 2.682 0.395 -4.907) 5.606 11.640 ( -5.918 -2.125 -1.459) 6.455 11.859 ( 4.177 -6.721 0.855) 7.960 12.798 ( 1.643 -1.717 -0.424) 2.413 12.935 ( 2.245 -0.623 -0.959) 2.519 13.012 ( -2.080 -1.176 2.793) 3.675 13.115 ( 0.068 -7.759 -5.487) 9.503 13.506 ( -0.355 11.776 1.365) 11.860 13.590 ( -1.352 10.377 -6.491) 12.315 14.063 ( -4.211 3.567 1.635) 5.756 14.287 ( 7.018 1.071 -2.082) 7.398 14.982 ( -10.953 -0.977 10.451) 15.171 15.240 ( -12.414 -8.208 1.693) 14.978 15.497 ( -3.608 4.271 -0.487) 5.612 15.785 ( 7.179 -2.773 5.928) 9.714 21.242 ( -2.869 6.656 4.555) 8.560 21.467 ( 2.338 7.085 -4.630) 8.781 21.985 ( -2.340 -2.643 6.498) 7.395 22.137 ( -4.257 -1.828 -8.344) 9.544 22.901 ( 0.133 0.983 2.407) 2.604 23.009 ( -0.918 -0.152 0.057) 0.932 23.211 ( -4.098 0.138 -1.616) 4.407 23.276 ( -7.443 -0.675 -3.661) 8.322 23.622 ( 14.937 0.154 6.596) 16.330 23.727 ( 11.801 -0.475 -5.949) 13.224 24.389 ( 0.594 0.424 2.652) 2.751 24.440 ( -0.134 1.943 -2.475) 3.149 24.676 ( 1.420 -2.271 0.043) 2.679 24.767 ( 4.995 -1.146 -0.981) 5.218 25.540 ( -3.125 -2.512 -1.673) 4.345 25.587 ( 4.138 -5.055 3.611) 7.464 ======================= Grid point 167 (82/136) ======================= q-point: ( 0.18 0.17 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 198 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.292 ( -0.017 3.369 -18.796) 19.096 1.537 ( 6.416 -1.354 10.601) 12.465 1.679 ( -0.398 1.333 17.301) 17.356 1.923 ( 8.734 3.836 -10.570) 14.239 2.168 ( 8.755 -10.046 4.594) 14.095 2.389 ( 7.037 4.276 1.143) 8.313 2.497 ( 8.851 5.422 9.279) 13.923 2.615 ( 14.727 3.270 -4.099) 15.632 2.964 ( 6.138 -5.002 -1.785) 8.116 2.989 ( 10.114 -0.957 -0.016) 10.159 3.065 ( 15.129 2.644 -1.854) 15.470 3.248 ( 6.213 6.084 1.329) 8.797 3.309 ( 18.895 1.370 8.077) 20.594 3.634 ( 4.157 6.559 -2.226) 8.078 3.704 ( -1.378 -0.498 3.141) 3.466 3.797 ( -7.950 2.340 -1.057) 8.354 4.101 ( 0.683 -9.105 1.508) 9.254 4.153 ( -1.552 5.590 -12.027) 13.353 4.317 ( 6.683 -1.471 -0.003) 6.843 4.432 ( 6.635 -3.380 2.272) 7.786 4.699 ( 6.284 -4.233 -4.232) 8.679 4.754 ( 6.298 0.914 -0.189) 6.367 4.797 ( 5.324 0.155 9.536) 10.923 4.926 ( 4.784 2.639 -6.068) 8.165 5.448 ( -5.026 -2.080 -1.021) 5.535 5.686 ( -6.023 -9.389 -3.290) 11.630 5.856 ( -4.743 -2.255 2.338) 5.749 6.015 ( -1.914 0.443 -1.976) 2.786 6.115 ( -11.226 -2.584 0.065) 11.519 6.270 ( -9.172 4.043 2.831) 10.415 6.613 ( 2.536 -0.637 6.749) 7.237 6.754 ( -6.527 -0.498 -0.612) 6.574 6.915 ( -8.923 3.577 -5.151) 10.906 7.180 ( -9.846 2.286 -0.247) 10.111 7.429 ( 0.402 -2.483 -2.826) 3.783 7.541 ( 1.253 -1.086 -2.061) 2.645 7.782 ( -10.171 1.714 -1.356) 10.403 8.334 ( 5.775 -1.149 -4.811) 7.604 8.748 ( 14.551 0.072 0.955) 14.583 8.817 ( 1.401 -1.637 5.340) 5.758 8.905 ( 9.028 -2.856 1.724) 9.625 9.060 ( 0.672 0.369 0.285) 0.818 9.838 ( 8.097 1.275 0.542) 8.214 9.969 ( 5.448 6.092 -0.019) 8.173 10.200 ( 0.412 -2.779 -2.810) 3.974 10.276 ( -1.204 0.319 -1.140) 1.689 11.093 ( 0.905 0.542 0.105) 1.060 11.272 ( 0.323 2.044 -4.042) 4.541 11.535 ( -1.555 -0.977 -4.404) 4.772 11.903 ( -1.093 -9.040 2.921) 9.563 12.826 ( 2.002 -0.540 -1.542) 2.584 12.929 ( -3.056 2.291 0.120) 3.821 12.989 ( 1.253 -6.527 -2.914) 7.257 13.109 ( 0.773 0.450 1.122) 1.435 13.486 ( -3.004 7.065 -4.111) 8.709 13.517 ( -0.567 7.841 0.856) 7.908 14.005 ( -3.548 3.466 0.230) 4.965 14.393 ( 7.711 0.152 -2.935) 8.252 14.894 ( -10.303 -1.123 7.528) 12.809 15.045 ( -11.929 -5.179 6.946) 14.743 15.485 ( 1.124 4.012 -1.604) 4.465 15.918 ( 0.722 -4.313 5.611) 7.114 21.243 ( -2.362 7.041 5.015) 8.961 21.471 ( 2.910 4.293 -3.952) 6.521 21.962 ( -5.694 -2.961 -3.690) 7.403 22.010 ( -4.133 -2.939 4.180) 6.572 22.852 ( -8.467 -0.941 -1.206) 8.604 22.929 ( -5.066 -0.397 1.567) 5.317 23.188 ( 4.066 2.107 -2.100) 5.039 23.314 ( 11.634 0.164 -1.134) 11.690 23.801 ( 6.274 -0.703 -5.496) 8.371 23.960 ( 11.910 -1.790 7.680) 14.284 24.353 ( -2.223 1.887 -3.508) 4.562 24.472 ( 2.467 1.914 1.590) 3.504 24.735 ( 4.958 -0.874 1.338) 5.209 24.853 ( 4.574 0.407 0.760) 4.654 25.469 ( -1.824 -2.230 -3.001) 4.160 25.663 ( 2.735 -5.232 -0.206) 5.908 ======================= Grid point 168 (83/136) ======================= q-point: ( 0.27 0.17 -0.67) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 198 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.143 ( 2.678 7.544 -12.558) 14.893 1.699 ( 4.929 -2.363 2.730) 6.109 1.831 ( -3.587 1.171 20.296) 20.644 2.024 ( 12.786 7.515 -6.117) 16.043 2.350 ( 7.161 -8.686 5.341) 12.460 2.497 ( 1.966 1.962 3.340) 4.344 2.651 ( 2.003 7.017 7.206) 10.255 2.736 ( 5.129 -0.877 -2.697) 5.861 2.965 ( -1.028 -3.730 -5.277) 6.543 3.032 ( -1.500 0.615 -2.211) 2.742 3.330 ( 9.544 -0.698 -1.490) 9.685 3.342 ( 1.052 -2.432 7.143) 7.619 3.610 ( -4.810 1.278 -1.299) 5.143 3.622 ( 6.984 4.089 3.624) 8.867 3.755 ( -0.035 6.397 -4.787) 7.990 3.950 ( 21.824 1.788 6.827) 22.937 4.120 ( 6.267 -9.234 -2.612) 11.462 4.207 ( 18.662 2.957 0.760) 18.910 4.437 ( 8.148 0.302 -4.306) 9.221 4.555 ( 5.864 -2.295 1.244) 6.419 4.747 ( 4.036 -0.240 -2.074) 4.544 4.883 ( 7.616 0.307 -2.716) 8.091 4.909 ( 0.425 1.494 -2.913) 3.301 5.062 ( 9.207 -3.102 10.910) 14.608 5.345 ( -6.461 -0.867 -2.337) 6.925 5.524 ( -7.402 3.586 -2.525) 8.603 5.580 ( -13.638 -3.294 -2.327) 14.222 5.895 ( -5.196 3.024 -0.032) 6.012 6.139 ( 3.809 -4.289 -0.283) 5.743 6.234 ( -0.566 -0.041 0.358) 0.671 6.601 ( -7.954 -0.744 -1.364) 8.104 6.646 ( -7.050 2.362 -7.445) 10.522 6.791 ( -2.549 2.325 7.569) 8.319 7.105 ( -0.058 0.174 3.073) 3.079 7.431 ( 6.517 -0.926 -3.414) 7.415 7.553 ( -4.551 -0.737 1.769) 4.938 7.647 ( 0.658 -0.343 -2.681) 2.782 8.333 ( -0.673 -4.908 -4.478) 6.678 8.821 ( -5.484 -1.855 0.938) 5.865 8.917 ( -0.048 0.022 0.046) 0.070 9.049 ( 5.429 -0.430 4.273) 6.922 9.119 ( 9.512 -0.839 -1.051) 9.606 9.962 ( 5.305 4.453 -0.621) 6.954 10.030 ( 1.861 -0.009 0.092) 1.863 10.179 ( 0.744 1.122 -3.869) 4.096 10.234 ( -2.361 -0.970 -0.697) 2.646 11.116 ( 2.528 -0.370 -1.523) 2.975 11.257 ( 2.139 4.824 -1.866) 5.597 11.519 ( 3.568 -1.721 -2.744) 4.819 11.894 ( -3.278 -7.527 3.702) 9.006 12.813 ( -1.544 -3.129 -2.150) 4.099 12.890 ( -0.046 2.285 -0.832) 2.432 12.973 ( -0.583 0.327 -2.678) 2.761 13.140 ( -0.310 1.884 3.401) 3.900 13.407 ( 0.206 3.847 -5.025) 6.332 13.531 ( -1.359 2.525 4.481) 5.320 13.948 ( -2.496 3.430 -1.090) 4.380 14.465 ( 4.647 -2.307 -6.728) 8.496 14.786 ( -8.021 0.033 7.264) 10.821 14.988 ( -6.243 -3.222 11.112) 13.147 15.479 ( 0.386 3.544 -2.570) 4.395 15.910 ( -4.878 -4.128 0.931) 6.457 21.257 ( -1.965 6.623 5.364) 8.746 21.488 ( 3.351 2.453 -3.746) 5.593 21.816 ( -4.717 -2.131 -5.223) 7.353 21.988 ( -5.626 -4.602 6.688) 9.877 22.706 ( -6.182 -0.353 -1.689) 6.418 22.831 ( -4.780 -1.563 -1.097) 5.147 23.343 ( 10.183 3.541 3.963) 11.487 23.515 ( 11.895 0.434 -0.499) 11.913 23.825 ( 2.810 -0.725 -4.749) 5.565 24.120 ( -0.616 -2.599 0.411) 2.702 24.323 ( 3.336 1.077 -0.430) 3.532 24.519 ( 1.967 0.165 -0.404) 2.015 24.865 ( 5.954 1.737 4.111) 7.441 24.936 ( 3.273 2.451 2.838) 4.977 25.435 ( 0.970 -2.856 -2.171) 3.717 25.686 ( 2.100 -4.797 -3.127) 6.098 ======================= Grid point 169 (84/136) ======================= q-point: ( 0.36 0.17 -0.67) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 198 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.189 ( 9.772 8.354 0.427) 12.863 1.794 ( 6.353 -4.500 -1.428) 7.915 1.918 ( -10.030 0.890 20.356) 22.711 2.203 ( 11.446 10.229 -3.743) 15.800 2.506 ( -0.555 -3.378 5.186) 6.214 2.522 ( 3.311 -2.630 2.075) 4.710 2.723 ( 0.674 6.477 1.173) 6.617 2.767 ( 2.904 -3.269 -4.793) 6.488 2.897 ( -3.265 -2.258 1.064) 4.110 2.961 ( -1.554 2.764 -2.762) 4.205 3.327 ( 1.371 -3.194 2.762) 4.440 3.450 ( -4.902 -2.693 -0.756) 5.644 3.588 ( 4.197 3.274 5.513) 7.663 3.711 ( -1.914 -0.959 3.769) 4.335 3.770 ( 5.443 -0.058 5.357) 7.637 4.095 ( -0.400 -7.316 2.720) 7.816 4.340 ( 6.254 2.952 2.798) 7.460 4.454 ( 6.812 -0.440 -7.807) 10.370 4.584 ( -1.646 6.977 -3.570) 8.009 4.749 ( 9.369 4.168 -3.091) 10.710 4.776 ( 15.961 3.079 1.494) 16.324 4.870 ( 6.314 1.859 -2.993) 7.230 4.961 ( 7.508 -0.785 -0.910) 7.603 5.199 ( 1.268 -5.780 3.422) 6.836 5.353 ( -12.869 -1.751 -0.959) 13.023 5.426 ( 5.466 1.514 -0.207) 5.675 5.451 ( 3.805 -0.323 6.360) 7.419 5.872 ( 0.810 -0.213 0.258) 0.876 6.152 ( -3.776 -3.313 -5.756) 7.640 6.211 ( 2.096 -5.259 -2.999) 6.407 6.367 ( -4.988 6.303 -8.152) 11.449 6.509 ( -9.123 6.671 -0.113) 11.302 6.807 ( -3.277 2.775 7.803) 8.907 7.210 ( 5.809 -2.500 5.061) 8.100 7.471 ( -2.907 -2.412 0.203) 3.783 7.596 ( 9.884 -3.714 1.069) 10.612 7.731 ( 13.281 0.852 -3.487) 13.757 8.218 ( -7.009 -6.513 -5.672) 11.123 8.640 ( -15.998 0.260 1.777) 16.099 8.810 ( -8.486 -1.086 -3.894) 9.400 9.187 ( 6.274 -0.104 1.402) 6.429 9.281 ( 8.153 -1.688 0.836) 8.368 9.969 ( -0.805 1.242 -3.888) 4.160 10.071 ( 2.034 0.722 -1.002) 2.379 10.149 ( -0.277 2.768 -2.210) 3.553 10.183 ( -2.070 -1.373 -1.666) 2.991 11.165 ( 4.381 1.044 -0.157) 4.506 11.300 ( 3.648 5.671 -0.850) 6.796 11.590 ( 5.370 -2.625 0.682) 6.016 11.865 ( -4.280 -4.967 3.506) 7.435 12.761 ( -1.304 -2.580 -2.264) 3.672 12.886 ( -0.962 0.096 -1.765) 2.013 12.938 ( 0.617 5.695 -0.388) 5.741 13.145 ( -2.540 0.741 2.277) 3.491 13.411 ( 4.566 0.126 -2.915) 5.419 13.547 ( -2.683 0.355 5.283) 5.936 13.907 ( -0.578 3.251 -1.279) 3.541 14.400 ( -2.338 -3.760 -8.461) 9.549 14.804 ( -0.243 1.266 9.228) 9.318 15.014 ( -3.878 -2.664 11.402) 12.335 15.447 ( -0.551 3.129 -3.709) 4.884 15.795 ( -5.690 -2.994 -4.174) 7.665 21.276 ( -2.024 5.517 5.388) 7.973 21.512 ( 3.456 1.379 -3.775) 5.300 21.721 ( -1.155 -1.841 -2.795) 3.540 21.941 ( -6.515 -5.187 4.989) 9.708 22.614 ( -2.835 0.360 -1.003) 3.029 22.764 ( -2.081 -1.481 -0.792) 2.674 23.553 ( 7.054 3.324 5.893) 9.774 23.695 ( 8.800 1.589 -1.037) 9.002 23.824 ( 2.183 -2.407 -2.142) 3.892 24.041 ( -3.393 1.054 -3.080) 4.702 24.387 ( 2.684 -2.199 -1.040) 3.623 24.523 ( 0.036 -1.264 -2.600) 2.891 24.979 ( 2.684 2.547 3.851) 5.340 25.029 ( 2.710 4.588 4.581) 7.027 25.454 ( 1.852 -3.689 0.158) 4.131 25.683 ( 2.341 -4.281 -4.856) 6.884 ======================= Grid point 170 (85/136) ======================= q-point: ( 0.45 0.17 -0.67) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 198 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.448 ( 12.785 4.995 9.272) 16.564 1.861 ( -8.366 -3.553 7.394) 11.717 1.928 ( 1.652 0.045 8.540) 8.699 2.268 ( 0.894 9.189 -7.538) 11.919 2.443 ( -3.820 3.158 -0.414) 4.974 2.622 ( -2.500 -6.908 6.065) 9.527 2.671 ( -0.008 -1.317 -6.555) 6.686 2.790 ( 2.097 1.504 2.311) 3.464 2.916 ( 3.646 0.970 2.618) 4.592 2.964 ( 3.052 -0.329 -2.039) 3.685 3.351 ( -3.121 -1.025 1.401) 3.572 3.447 ( 3.422 0.932 5.568) 6.601 3.666 ( 2.556 -0.977 -0.898) 2.880 3.761 ( 0.022 -4.537 7.646) 8.891 3.947 ( 6.507 -3.878 9.170) 11.894 4.105 ( -2.742 -4.488 2.699) 5.912 4.300 ( -9.775 5.762 2.267) 11.571 4.466 ( 2.004 2.659 -5.051) 6.050 4.484 ( 3.444 6.305 -2.904) 7.749 4.715 ( -2.366 7.560 -7.744) 11.078 4.928 ( 3.485 -1.295 -0.160) 3.722 5.007 ( -0.849 -1.660 -1.491) 2.388 5.200 ( -0.495 2.354 4.357) 4.977 5.211 ( 9.263 -1.136 -4.154) 10.216 5.352 ( -2.574 2.037 -4.478) 5.552 5.404 ( 18.909 -2.627 7.293) 20.436 5.598 ( -5.131 -1.942 6.860) 8.784 5.853 ( -5.425 0.357 -3.266) 6.342 5.933 ( -6.995 -2.149 -8.439) 11.169 6.183 ( 1.010 -0.460 -6.975) 7.063 6.349 ( 2.723 3.687 0.789) 4.651 6.399 ( -1.977 3.520 0.887) 4.134 6.863 ( 0.774 2.564 8.891) 9.285 7.326 ( 1.832 -0.936 2.504) 3.241 7.443 ( 1.733 -6.666 -1.845) 7.130 7.808 ( 11.744 -2.957 3.153) 12.514 7.955 ( 2.411 -3.125 -7.451) 8.432 8.069 ( 10.108 -1.553 -1.136) 10.290 8.341 ( -20.030 1.681 2.194) 20.220 8.568 ( -12.395 -2.539 -7.586) 14.752 9.287 ( 3.114 -0.153 2.366) 3.914 9.394 ( 3.849 -1.847 0.407) 4.288 9.907 ( -1.606 0.812 -3.044) 3.536 10.018 ( -3.579 1.244 -4.293) 5.726 10.140 ( -0.896 -1.159 -1.552) 2.134 10.161 ( 2.815 0.960 -1.989) 3.578 11.252 ( 4.324 2.694 1.430) 5.291 11.344 ( 2.113 5.314 -1.081) 5.819 11.698 ( 4.786 -2.972 2.713) 6.253 11.812 ( -5.472 -2.977 2.800) 6.830 12.735 ( 0.396 -0.548 -1.140) 1.326 12.826 ( -2.398 2.025 -2.340) 3.915 12.995 ( 4.455 2.267 1.067) 5.111 13.103 ( -3.584 -0.188 0.420) 3.614 13.489 ( 5.955 -0.979 -0.719) 6.078 13.535 ( -3.255 0.140 3.003) 4.431 13.909 ( 0.984 2.232 0.958) 2.620 14.266 ( -3.347 -3.059 -7.848) 9.063 14.916 ( 2.050 0.597 9.496) 9.733 15.067 ( -2.973 -2.399 11.370) 11.994 15.389 ( -1.431 2.982 -4.836) 5.859 15.661 ( -2.945 -2.001 -7.291) 8.114 21.290 ( -2.402 4.104 5.266) 7.095 21.521 ( 2.200 1.279 -4.327) 5.020 21.737 ( 4.112 -2.081 0.542) 4.641 21.864 ( -6.262 -4.905 2.141) 8.237 22.590 ( 0.119 0.916 0.689) 1.152 22.733 ( -0.672 -1.080 -1.444) 1.925 23.638 ( -3.502 3.230 4.052) 6.254 23.756 ( 3.451 0.413 -3.878) 5.208 23.918 ( 6.479 -1.672 2.532) 7.155 24.010 ( 1.996 0.342 -0.409) 2.066 24.385 ( -0.346 -1.635 -2.507) 3.013 24.468 ( -2.712 -0.851 -3.981) 4.892 25.042 ( 0.324 3.046 3.820) 4.897 25.095 ( 0.408 4.341 3.174) 5.393 25.481 ( -0.110 -3.430 1.620) 3.795 25.679 ( 3.067 -4.501 -5.490) 7.733 ======================= Grid point 171 (86/136) ======================= q-point: (-0.45 0.17 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 198 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.648 ( -11.110 -1.322 6.734) 13.059 1.799 ( 3.610 2.402 6.680) 7.963 1.979 ( -9.021 7.195 4.335) 12.326 2.203 ( 7.159 -0.472 -4.792) 8.627 2.429 ( -1.532 -2.334 2.844) 3.986 2.562 ( 2.042 1.494 -3.966) 4.704 2.684 ( -2.286 -6.705 5.258) 8.823 2.847 ( 1.737 2.306 1.114) 3.094 2.970 ( 0.203 0.619 -2.676) 2.754 3.017 ( 5.029 3.096 -0.605) 5.936 3.369 ( 0.775 -1.215 4.809) 5.020 3.479 ( -1.385 2.645 -0.932) 3.128 3.702 ( -2.432 -3.652 3.113) 5.379 3.822 ( 2.157 -5.080 -0.709) 5.565 4.039 ( -3.850 -1.792 7.540) 8.653 4.099 ( 0.583 2.177 2.294) 3.216 4.314 ( 2.504 -2.795 2.196) 4.348 4.431 ( 1.157 2.482 -1.885) 3.324 4.467 ( -1.684 2.633 -1.601) 3.512 4.593 ( -2.446 6.157 -7.135) 9.737 4.954 ( -3.416 -1.850 1.782) 4.274 5.016 ( 4.178 2.615 0.606) 4.966 5.108 ( -11.919 4.595 -0.554) 12.786 5.291 ( 4.349 0.435 -3.673) 5.709 5.338 ( -1.393 2.251 3.727) 4.572 5.438 ( -16.058 3.380 -3.223) 16.723 5.553 ( -2.618 0.783 5.172) 5.849 5.838 ( 13.587 -1.371 -0.761) 13.677 5.888 ( -0.195 -4.311 0.530) 4.348 6.107 ( -3.242 -3.698 -7.901) 9.306 6.321 ( -3.618 2.443 1.417) 4.590 6.452 ( 3.773 1.010 -1.930) 4.357 7.010 ( 5.045 2.793 10.101) 11.632 7.277 ( -2.309 -0.769 -7.035) 7.444 7.579 ( 8.231 -4.711 6.230) 11.347 7.701 ( -6.675 -6.334 -7.664) 11.976 8.004 ( -15.780 1.439 1.821) 15.950 8.188 ( 14.265 1.312 5.810) 15.458 8.213 ( -9.005 -2.186 -10.231) 13.804 8.409 ( 13.939 -2.426 -1.063) 14.189 9.322 ( -2.816 -0.738 2.965) 4.155 9.407 ( -2.287 -1.925 -1.039) 3.165 9.880 ( 0.714 0.798 -0.544) 1.201 9.922 ( -2.070 2.105 -2.933) 4.161 10.120 ( -0.031 -0.774 -1.210) 1.437 10.181 ( 2.302 -0.868 -3.297) 4.114 11.319 ( 1.752 3.819 0.720) 4.263 11.341 ( -0.737 4.157 -2.202) 4.762 11.725 ( -6.677 -2.580 2.467) 7.571 11.804 ( 3.414 -2.917 2.709) 5.244 12.753 ( 2.117 1.596 0.226) 2.661 12.772 ( -1.173 1.324 -2.185) 2.811 13.028 ( -3.711 -0.115 -0.339) 3.728 13.102 ( 5.562 0.193 0.091) 5.566 13.489 ( -3.336 1.167 0.954) 3.661 13.606 ( 7.625 -1.053 -0.626) 7.723 13.952 ( 0.665 0.479 4.148) 4.229 14.142 ( -1.893 -1.875 -7.909) 8.345 15.045 ( 1.684 -0.486 9.021) 9.190 15.135 ( -1.728 -2.373 11.829) 12.188 15.311 ( -1.578 3.494 -4.808) 6.150 15.560 ( 0.109 -1.471 -8.378) 8.506 21.296 ( -2.771 2.975 5.257) 6.645 21.512 ( 1.737 2.209 -4.170) 5.029 21.768 ( -4.963 -4.033 -0.042) 6.395 21.863 ( 7.949 -2.676 1.739) 8.566 22.624 ( 1.965 0.837 2.105) 2.999 22.703 ( -0.276 -0.385 -3.141) 3.176 23.582 ( -5.602 2.317 3.646) 7.074 23.773 ( 1.714 0.075 -1.471) 2.260 24.028 ( 3.660 -0.848 0.339) 3.772 24.035 ( -0.243 -1.597 -1.760) 2.388 24.358 ( -4.087 0.518 -2.705) 4.928 24.366 ( -0.319 0.230 -0.675) 0.781 25.061 ( -2.095 3.191 3.353) 5.081 25.103 ( -2.377 3.224 2.011) 4.482 25.482 ( -1.392 -2.850 1.855) 3.675 25.681 ( 3.065 -5.771 -5.390) 8.471 ======================= Grid point 172 (87/136) ======================= q-point: (-0.36 0.17 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 198 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.399 ( -17.632 2.137 -0.072) 17.761 1.645 ( -17.120 7.768 -2.146) 18.922 2.077 ( 4.977 -0.543 9.946) 11.135 2.304 ( 1.119 -0.382 4.474) 4.627 2.431 ( 2.686 -2.668 -2.249) 4.403 2.555 ( -5.570 -0.153 0.248) 5.578 2.753 ( 7.584 -2.619 2.528) 8.412 2.877 ( 0.602 1.164 -0.292) 1.343 2.926 ( 0.843 2.023 -5.142) 5.590 3.073 ( 4.373 1.671 -3.497) 5.843 3.404 ( -3.485 -2.244 4.699) 6.266 3.441 ( -1.210 -0.187 -2.665) 2.933 3.641 ( -1.986 4.596 -3.346) 6.022 3.740 ( -11.124 -1.847 0.807) 11.306 4.041 ( -6.401 -6.392 4.076) 9.922 4.137 ( -1.553 -3.586 0.278) 3.917 4.270 ( -3.630 3.303 1.991) 5.297 4.368 ( -9.939 4.217 4.021) 11.521 4.481 ( -3.039 0.839 1.677) 3.571 4.561 ( 3.102 4.290 -3.512) 6.353 4.770 ( -16.584 5.126 -0.207) 17.359 4.869 ( -10.642 2.342 -0.848) 10.930 5.033 ( 1.172 0.983 -5.911) 6.106 5.234 ( -2.981 3.728 0.860) 4.850 5.356 ( 3.542 -1.558 -2.128) 4.416 5.418 ( 8.506 1.294 1.226) 8.691 5.649 ( 1.833 -2.031 10.843) 11.182 5.847 ( -6.544 -6.120 -6.743) 11.214 5.928 ( 2.346 -6.687 1.144) 7.178 5.996 ( -1.403 -3.218 -1.286) 3.738 6.303 ( 0.260 9.007 -0.200) 9.013 6.472 ( 1.733 2.952 -0.896) 3.538 7.167 ( 1.101 -0.963 -5.257) 5.457 7.220 ( 5.470 2.550 7.077) 9.302 7.536 ( -5.196 -3.819 -2.080) 6.775 7.673 ( -4.444 0.263 -4.063) 6.027 7.887 ( -6.933 -3.575 -4.517) 9.014 7.974 ( 5.950 -2.990 -0.658) 6.691 8.487 ( 11.793 0.190 5.515) 13.021 8.656 ( 11.376 -1.787 1.404) 11.601 9.244 ( -8.761 -1.755 2.447) 9.264 9.306 ( -6.815 -1.916 -2.039) 7.367 9.865 ( -0.849 2.748 -0.304) 2.893 9.956 ( 3.861 0.683 2.423) 4.610 10.106 ( -0.526 0.224 -1.194) 1.324 10.181 ( 1.825 -1.940 -3.282) 4.227 11.271 ( -3.416 2.278 -3.951) 5.698 11.328 ( -0.528 4.897 -0.907) 5.008 11.621 ( -7.415 -2.744 1.153) 7.990 11.877 ( 1.947 -3.834 2.582) 5.016 12.744 ( 0.088 0.244 -1.828) 1.846 12.806 ( 2.869 2.401 1.140) 3.911 12.964 ( -2.106 1.557 -1.302) 2.925 13.189 ( 4.258 -1.252 -0.565) 4.474 13.443 ( -1.484 2.150 -1.761) 3.150 13.738 ( 7.577 0.064 0.395) 7.587 13.972 ( -2.286 -2.917 -0.795) 3.790 14.082 ( 2.114 1.019 -1.534) 2.803 15.107 ( -1.927 -1.708 3.989) 4.748 15.226 ( 1.975 1.743 -0.942) 2.797 15.304 ( 0.215 -1.069 12.760) 12.806 15.503 ( 2.323 -0.453 -6.739) 7.143 21.297 ( -3.080 2.384 5.202) 6.499 21.505 ( 2.041 4.366 -3.787) 6.129 21.689 ( -3.120 -2.537 -1.301) 4.226 22.042 ( 10.400 -3.761 1.639) 11.180 22.665 ( 0.237 0.191 -3.629) 3.642 22.688 ( 2.610 0.203 2.129) 3.374 23.530 ( -5.012 1.413 3.903) 6.508 23.782 ( -2.110 -2.698 1.649) 3.801 23.963 ( -2.952 1.614 -2.865) 4.419 23.995 ( -4.013 2.417 -8.703) 9.884 24.282 ( -2.049 0.158 2.547) 3.273 24.408 ( 2.131 -0.292 2.125) 3.024 25.040 ( -4.195 2.350 2.835) 5.582 25.056 ( -4.205 2.827 1.266) 5.223 25.484 ( -0.243 -3.250 1.927) 3.786 25.663 ( 0.686 -7.794 -5.780) 9.728 ======================= Grid point 173 (88/136) ======================= q-point: (-0.27 0.17 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 198 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.067 ( -17.785 8.010 -4.269) 19.967 1.355 ( -16.579 9.687 4.692) 19.767 2.191 ( -1.773 -1.759 7.360) 7.772 2.306 ( -7.537 0.021 3.484) 8.303 2.422 ( 0.942 1.631 -9.386) 9.574 2.437 ( -8.002 -4.062 4.581) 10.075 2.771 ( -3.251 2.772 -5.811) 7.213 2.910 ( -2.755 -1.577 -2.658) 4.141 2.942 ( 8.009 -2.215 -3.796) 9.135 3.131 ( 5.723 2.521 -1.711) 6.484 3.327 ( -11.642 5.723 0.169) 12.974 3.370 ( -3.330 1.835 2.591) 4.600 3.507 ( -9.111 -0.836 2.559) 9.500 3.600 ( -11.630 3.133 -1.220) 12.106 3.795 ( -18.265 0.620 2.397) 18.432 4.017 ( -7.845 -6.468 2.203) 10.403 4.142 ( -14.797 -4.319 2.332) 15.589 4.313 ( -6.105 1.924 0.182) 6.403 4.385 ( -1.875 1.037 -2.911) 3.615 4.514 ( -4.118 1.959 -2.497) 5.199 4.630 ( -2.778 5.081 2.515) 6.313 4.754 ( -1.577 5.018 -1.132) 5.380 4.974 ( -2.866 -0.776 -4.020) 4.997 5.240 ( -0.762 0.887 3.457) 3.649 5.389 ( 4.520 -0.511 -3.666) 5.842 5.557 ( -3.172 -4.736 -3.827) 6.866 5.570 ( 3.452 -2.443 -4.181) 5.947 5.931 ( 1.035 -2.132 4.899) 5.442 5.941 ( 4.300 -4.363 5.748) 8.400 6.034 ( 5.921 -6.011 4.317) 9.478 6.301 ( 3.838 7.637 -2.432) 8.887 6.564 ( 6.061 8.656 5.177) 11.767 7.138 ( 3.912 0.365 -7.287) 8.279 7.344 ( -5.690 -3.436 2.421) 7.074 7.451 ( 1.511 2.719 3.489) 4.674 7.593 ( 3.094 -4.159 -13.953) 14.885 7.727 ( 2.083 0.835 -4.925) 5.413 8.164 ( 5.779 -3.885 4.529) 8.307 8.674 ( 4.381 -1.166 3.411) 5.674 8.794 ( 1.371 -0.539 3.112) 3.443 9.097 ( -10.567 -2.732 3.013) 11.322 9.161 ( -7.580 -2.535 -1.114) 8.070 9.864 ( -0.431 4.251 1.561) 4.549 10.011 ( -1.116 -1.416 -0.045) 1.803 10.093 ( 0.809 1.938 0.761) 2.234 10.194 ( 2.435 -1.837 -1.033) 3.220 11.168 ( -3.215 0.964 -3.986) 5.211 11.301 ( -0.255 4.812 -2.567) 5.460 11.487 ( -8.469 -2.543 -0.413) 8.852 11.922 ( 0.595 -4.451 2.186) 4.995 12.739 ( 0.915 -1.335 -0.731) 1.776 12.851 ( 0.853 -0.093 0.601) 1.048 12.950 ( 1.787 4.234 -0.847) 4.673 13.237 ( 2.488 0.193 -0.779) 2.614 13.405 ( 0.299 2.335 -3.951) 4.599 13.838 ( -1.140 4.217 2.041) 4.822 13.919 ( 6.742 -5.097 -8.864) 12.248 14.143 ( 1.124 1.174 5.169) 5.419 15.087 ( -0.352 -1.366 -2.026) 2.469 15.244 ( -0.123 4.124 2.692) 4.927 15.394 ( 1.400 -5.027 -2.239) 5.678 15.608 ( 7.468 -1.850 13.288) 15.354 21.290 ( -3.370 2.449 4.761) 6.326 21.515 ( 3.638 9.288 -4.292) 10.860 21.647 ( -0.736 -2.612 0.679) 2.797 22.234 ( 10.766 -4.317 -1.143) 11.655 22.652 ( 1.863 0.384 -1.669) 2.531 22.757 ( 3.100 -0.639 2.031) 3.761 23.459 ( -7.123 0.439 1.347) 7.263 23.660 ( -11.782 -2.615 -2.686) 12.364 23.787 ( -7.536 4.696 -6.825) 11.199 23.975 ( 4.005 4.373 2.220) 6.331 24.298 ( -0.512 -0.749 2.553) 2.709 24.455 ( 0.877 -1.448 1.648) 2.363 24.959 ( -6.237 0.727 1.066) 6.369 25.014 ( -3.186 2.849 1.767) 4.625 25.499 ( -0.551 -6.836 -1.125) 6.950 25.584 ( -2.746 -7.895 -4.271) 9.387 ======================= Grid point 174 (89/136) ======================= q-point: (-0.18 0.17 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 198 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.749 ( -14.901 13.053 -0.689) 19.822 1.183 ( -13.073 14.968 12.619) 23.541 2.098 ( -17.025 3.882 0.250) 17.464 2.163 ( -9.885 0.269 5.521) 11.325 2.272 ( -5.045 2.252 -12.505) 13.671 2.317 ( -12.406 -5.379 4.326) 14.197 2.697 ( -0.909 0.605 -2.015) 2.292 2.715 ( -13.559 -4.901 0.479) 14.425 2.860 ( -18.294 -1.765 -8.405) 20.210 3.052 ( -14.223 7.495 -8.453) 18.163 3.122 ( -7.548 8.018 1.045) 11.062 3.291 ( -0.214 2.367 4.191) 4.818 3.454 ( 0.901 5.506 6.058) 8.236 3.542 ( 4.007 -2.297 7.159) 8.520 3.670 ( -5.389 -1.629 -2.502) 6.161 3.870 ( -13.555 -1.753 2.856) 13.963 3.924 ( -6.798 -5.614 -0.262) 8.820 4.115 ( -6.786 4.597 -6.788) 10.642 4.388 ( -1.579 -3.928 -3.004) 5.191 4.446 ( 1.225 -3.739 -1.415) 4.182 4.633 ( -0.895 4.391 3.133) 5.468 4.698 ( -3.728 1.320 -1.505) 4.232 4.891 ( -0.886 0.987 -3.823) 4.046 5.260 ( -6.149 -1.291 -4.889) 7.961 5.288 ( 0.356 -6.260 1.617) 6.475 5.551 ( -0.068 2.266 -0.442) 2.310 5.730 ( 13.323 0.742 5.083) 14.279 5.921 ( 2.566 -2.852 3.212) 5.003 6.122 ( 4.462 -0.986 0.911) 4.660 6.173 ( 7.365 -3.786 3.601) 9.030 6.505 ( 13.479 4.067 8.387) 16.388 6.717 ( 6.207 5.204 2.654) 8.524 7.097 ( -4.133 -2.908 -11.105) 12.201 7.233 ( 0.052 0.798 0.625) 1.015 7.528 ( 3.170 -1.115 -0.919) 3.484 7.548 ( 6.473 -4.264 -10.039) 12.683 7.832 ( 11.563 2.470 -2.107) 12.011 8.203 ( -4.417 0.067 1.326) 4.613 8.692 ( -5.578 -1.691 2.166) 6.218 8.758 ( -7.436 1.359 1.945) 7.806 8.953 ( -9.952 -4.213 3.347) 11.313 9.037 ( -7.304 -2.874 1.553) 8.002 9.822 ( -6.470 5.186 0.306) 8.298 9.994 ( 0.001 -0.229 0.577) 0.621 10.097 ( -0.532 1.281 -1.021) 1.723 10.249 ( 3.189 -1.292 1.249) 3.661 11.110 ( -0.080 -0.394 -1.293) 1.354 11.263 ( -1.609 0.855 -3.485) 3.932 11.371 ( -2.673 2.946 1.537) 4.264 11.938 ( -0.956 -3.985 1.380) 4.324 12.762 ( 1.253 -3.726 1.392) 4.171 12.861 ( 0.939 -1.703 -0.842) 2.119 12.970 ( 0.573 2.004 -0.897) 2.269 13.280 ( 3.207 2.799 -0.388) 4.274 13.375 ( 1.560 4.149 -4.848) 6.569 13.770 ( -2.222 3.930 -4.269) 6.214 14.013 ( 8.205 -1.362 -3.860) 9.169 14.192 ( -1.543 1.789 5.007) 5.536 15.082 ( 1.397 -2.285 -0.362) 2.703 15.265 ( -0.714 4.495 2.973) 5.436 15.389 ( 2.721 -3.452 -4.201) 6.081 15.900 ( 8.887 -9.506 12.105) 17.773 21.276 ( -3.309 3.271 4.399) 6.404 21.528 ( 4.030 12.647 -7.257) 15.128 21.708 ( 4.773 -0.768 5.225) 7.118 22.356 ( 7.161 -3.397 -6.600) 10.314 22.722 ( 5.758 -0.242 3.048) 6.520 22.853 ( 6.053 -1.123 3.447) 7.055 23.308 ( -9.118 0.557 -2.067) 9.365 23.360 ( -14.864 3.054 -7.425) 16.894 23.659 ( -5.586 1.496 0.938) 5.859 24.092 ( 4.776 2.882 4.620) 7.243 24.278 ( -3.555 -1.006 -2.078) 4.239 24.472 ( -0.289 -2.065 1.298) 2.456 24.859 ( -6.159 -0.752 -0.056) 6.205 24.952 ( -5.182 -0.118 -2.543) 5.773 25.352 ( -8.341 -10.595 -3.754) 13.997 25.585 ( 0.875 -3.781 2.558) 4.649 ======================= Grid point 175 (90/136) ======================= q-point: (-0.09 0.17 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 198 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.585 ( -9.090 11.938 13.265) 20.028 1.147 ( -8.434 16.162 17.564) 25.315 1.797 ( -23.285 11.423 17.284) 31.167 1.950 ( -5.690 -4.725 -14.365) 16.157 2.072 ( -8.842 2.513 -4.733) 10.339 2.150 ( -17.075 -1.473 -0.338) 17.142 2.300 ( -16.468 -0.564 -3.576) 16.861 2.566 ( -3.465 -2.088 -5.461) 6.796 2.688 ( -5.754 -2.196 2.532) 6.659 2.854 ( -1.244 4.600 -7.915) 9.239 3.000 ( -9.634 8.652 2.629) 13.214 3.253 ( -6.932 -7.264 -1.298) 10.124 3.456 ( -2.421 2.433 -4.402) 5.582 3.591 ( 2.461 4.152 -9.200) 10.389 3.700 ( 0.924 0.023 13.350) 13.382 3.762 ( -0.998 2.674 7.043) 7.599 3.908 ( 0.206 -5.693 7.097) 9.101 4.007 ( 2.630 6.311 -7.466) 10.124 4.294 ( -6.496 -6.288 0.626) 9.063 4.488 ( 4.993 -2.723 -4.135) 7.031 4.579 ( -3.646 3.818 -1.368) 5.454 4.692 ( 1.970 -1.754 -1.100) 2.858 4.858 ( 1.014 2.104 -4.335) 4.925 5.051 ( -6.038 2.172 -10.502) 12.307 5.375 ( 3.114 -1.548 5.656) 6.639 5.629 ( 5.028 -8.736 5.472) 11.469 5.833 ( -2.660 -3.731 4.302) 6.285 6.061 ( -0.193 -9.982 -4.645) 11.012 6.211 ( 7.988 2.365 4.634) 9.533 6.442 ( 18.749 1.615 6.593) 19.940 6.758 ( -6.515 -2.058 -3.309) 7.592 6.785 ( 9.732 3.199 3.494) 10.824 6.916 ( 1.299 3.624 0.489) 3.881 7.332 ( 6.909 -3.351 1.847) 7.898 7.504 ( -2.278 -3.190 -0.956) 4.035 7.663 ( 16.344 -0.995 -9.958) 19.165 8.017 ( 8.279 1.543 -1.829) 8.618 8.089 ( -7.530 5.200 1.146) 9.223 8.538 ( -10.887 -0.256 0.830) 10.921 8.633 ( -8.615 1.266 1.615) 8.856 8.824 ( -7.208 -3.321 3.251) 8.577 8.925 ( -9.302 -1.129 4.343) 10.328 9.705 ( -5.551 4.408 0.010) 7.088 9.919 ( -5.887 3.439 -3.381) 7.610 10.137 ( 4.066 0.687 1.382) 4.349 10.292 ( 0.670 -0.976 -0.054) 1.185 11.120 ( -0.291 -0.708 1.296) 1.506 11.231 ( 2.561 -1.141 -2.018) 3.455 11.443 ( 6.675 3.471 4.657) 8.849 11.909 ( -3.157 -2.398 -0.263) 3.973 12.795 ( -0.546 -6.025 2.859) 6.691 12.874 ( 2.457 -2.698 -2.236) 4.279 12.961 ( 0.038 0.485 -0.306) 0.575 13.281 ( -0.754 -6.368 -4.630) 7.909 13.410 ( 5.292 14.970 -1.012) 15.910 13.705 ( 0.057 6.844 -5.327) 8.673 14.103 ( 5.154 0.087 -1.633) 5.407 14.186 ( -2.707 2.846 2.088) 4.449 15.107 ( -2.949 -3.028 5.854) 7.221 15.284 ( 1.895 2.339 -0.386) 3.035 15.428 ( 5.378 -1.884 -0.974) 5.781 16.016 ( -5.093 -13.335 -0.466) 14.282 21.263 ( -3.128 4.390 4.268) 6.876 21.515 ( 3.013 12.104 -7.736) 14.678 21.865 ( 6.342 1.569 3.073) 7.220 22.359 ( 2.546 -2.136 -9.197) 9.779 22.871 ( 5.126 0.197 3.875) 6.429 23.059 ( -3.485 3.561 1.696) 5.263 23.078 ( 7.421 -1.300 -0.189) 7.537 23.182 ( -1.438 0.574 -0.566) 1.649 23.570 ( -6.575 0.123 1.290) 6.701 24.035 ( -16.548 -3.893 -10.489) 19.975 24.226 ( 2.875 2.633 5.433) 6.687 24.478 ( -0.174 -1.087 0.679) 1.294 24.725 ( -6.355 -4.903 -2.590) 8.434 24.811 ( -4.811 -1.071 -2.530) 5.541 25.304 ( -0.021 -3.790 8.546) 9.349 25.615 ( -0.262 -3.617 1.739) 4.022 ======================= Grid point 176 (91/136) ======================= q-point: ( 0.00 0.33 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.926 ( 3.592 11.996 12.170) 17.462 1.347 ( -6.130 -1.438 9.992) 11.811 1.624 ( -1.736 0.657 -6.791) 7.040 1.801 ( -6.515 -6.208 -0.817) 9.036 1.941 ( 8.393 3.530 -6.052) 10.933 1.970 ( -0.844 3.544 -7.856) 8.660 2.381 ( -2.234 9.550 10.131) 14.100 2.537 ( -0.430 2.463 -3.628) 4.406 2.677 ( -0.112 2.817 -3.805) 4.736 2.784 ( -5.246 -4.303 -2.872) 7.368 2.878 ( -3.895 10.289 6.608) 12.834 3.229 ( -0.374 10.568 -0.761) 10.602 3.474 ( -1.476 7.008 -3.047) 7.782 3.598 ( 2.315 -0.481 -5.260) 5.767 3.669 ( 2.059 -15.162 8.362) 17.437 3.849 ( -2.100 1.861 3.567) 4.538 3.976 ( -1.006 -6.427 3.328) 7.307 3.987 ( -0.185 -8.275 1.254) 8.371 4.184 ( 4.280 6.725 -2.445) 8.338 4.465 ( 8.919 -6.218 -6.896) 12.875 4.596 ( 1.176 3.756 0.004) 3.936 4.679 ( -2.294 0.686 -0.064) 2.395 4.850 ( -3.176 3.364 -4.579) 6.510 5.016 ( 2.804 2.918 -11.095) 11.810 5.442 ( 3.624 -5.101 7.236) 9.566 5.559 ( 0.031 -4.553 0.852) 4.632 5.648 ( -6.001 -5.167 0.548) 7.938 5.737 ( -1.248 -9.807 -3.650) 10.539 6.383 ( 1.162 0.549 2.652) 2.947 6.446 ( -4.964 -3.191 -0.097) 5.902 6.890 ( 5.174 7.000 4.026) 9.591 6.965 ( -3.771 4.142 1.321) 5.756 7.074 ( 6.132 -1.656 3.841) 7.423 7.194 ( -0.020 -7.698 -1.680) 7.879 7.613 ( 2.944 3.951 0.406) 4.944 7.783 ( 5.684 -3.262 -6.580) 9.287 7.998 ( -5.737 2.767 -0.526) 6.391 8.061 ( 1.315 -0.537 -3.535) 3.809 8.539 ( -2.040 3.531 3.330) 5.265 8.584 ( 2.713 3.140 0.629) 4.197 8.762 ( -6.107 -2.931 5.709) 8.859 8.794 ( 1.668 -3.400 3.869) 5.414 9.763 ( -0.125 4.909 -0.387) 4.926 9.854 ( -1.436 1.069 -4.179) 4.546 10.234 ( 2.073 0.960 1.859) 2.945 10.270 ( -0.314 -0.719 0.238) 0.820 11.144 ( -0.525 2.430 1.846) 3.097 11.251 ( 3.774 -1.901 -1.285) 4.417 11.608 ( 1.090 0.995 3.869) 4.141 11.772 ( -2.122 -4.888 -2.572) 5.917 12.750 ( 2.007 -0.105 -1.080) 2.282 12.838 ( 3.979 -3.626 -3.448) 6.393 12.978 ( 0.891 -0.061 0.822) 1.214 13.061 ( -4.009 -4.966 -2.373) 6.809 13.742 ( 4.842 9.626 -4.599) 11.716 13.806 ( 1.701 5.207 -5.344) 7.653 14.190 ( -1.381 3.665 2.039) 4.416 14.231 ( 3.354 1.426 -0.846) 3.741 15.050 ( -8.074 0.014 7.806) 11.230 15.208 ( -4.546 -6.974 1.370) 8.437 15.546 ( 3.124 1.258 3.958) 5.197 15.673 ( -5.175 -4.307 -0.892) 6.792 21.394 ( -2.260 8.287 5.492) 10.196 21.623 ( -0.068 1.159 -0.793) 1.406 21.985 ( 0.054 5.112 -5.316) 7.376 22.220 ( -0.936 -4.063 -10.245) 11.061 22.953 ( -2.769 2.439 -0.070) 3.691 22.982 ( -0.324 1.012 -0.843) 1.357 23.305 ( 7.918 -0.554 2.370) 8.284 23.333 ( 11.023 -1.511 0.671) 11.146 23.449 ( -8.288 1.786 0.713) 8.508 23.592 ( -5.913 -3.853 -4.349) 8.290 24.359 ( 1.532 2.331 4.353) 5.169 24.466 ( 0.336 -1.621 2.505) 3.003 24.600 ( 0.543 -0.977 -1.727) 2.057 24.698 ( -0.617 -3.084 -2.981) 4.333 25.400 ( 2.019 0.042 7.458) 7.726 25.522 ( -1.462 -4.583 1.267) 4.975 ======================= Grid point 177 (92/136) ======================= q-point: ( 0.09 0.33 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.231 ( 12.852 3.140 13.405) 18.834 1.416 ( 4.589 -2.432 3.587) 6.312 1.584 ( 1.459 2.645 -5.690) 6.442 1.806 ( 6.096 -7.997 0.053) 10.056 1.954 ( 7.074 5.303 -6.205) 10.801 2.130 ( 16.484 -0.974 -0.024) 16.512 2.468 ( 3.345 5.614 1.795) 6.777 2.589 ( 8.576 10.309 -1.989) 13.556 2.694 ( 5.915 -6.183 4.178) 9.522 2.806 ( 7.733 -3.833 1.517) 8.763 2.989 ( 7.375 14.375 6.996) 17.606 3.217 ( 1.598 11.570 -1.030) 11.725 3.411 ( -1.847 8.298 -3.316) 9.125 3.608 ( 5.696 -0.239 -6.480) 8.631 3.741 ( -1.891 -7.316 3.834) 8.473 3.876 ( -0.521 -7.780 0.512) 7.814 3.888 ( -3.445 -7.241 4.246) 9.073 4.084 ( 2.581 -7.730 5.260) 9.699 4.224 ( 7.233 8.341 -7.155) 13.156 4.541 ( 7.534 -5.583 -7.560) 12.045 4.573 ( -7.261 4.369 -4.768) 9.724 4.673 ( 2.761 1.804 5.098) 6.072 4.762 ( -1.778 3.024 -0.359) 3.526 4.963 ( 2.660 0.202 -9.304) 9.678 5.501 ( -5.617 -3.078 -0.429) 6.419 5.545 ( 1.047 -6.942 3.507) 7.847 5.666 ( 5.773 -3.534 3.593) 7.663 5.775 ( 7.037 -9.766 0.040) 12.037 6.335 ( -7.663 0.632 1.369) 7.810 6.417 ( -2.057 -2.816 3.144) 4.695 6.742 ( -14.662 6.633 -0.159) 16.093 6.937 ( -11.588 0.606 0.196) 11.606 7.082 ( 1.316 0.783 -1.042) 1.852 7.240 ( 2.564 -5.253 -1.842) 6.129 7.518 ( -9.546 4.665 -1.543) 10.736 7.653 ( -7.372 -1.539 -6.801) 10.147 7.967 ( -2.289 4.133 0.911) 4.811 8.189 ( 9.870 -4.146 -1.693) 10.838 8.566 ( 6.394 3.852 1.229) 7.565 8.701 ( 4.201 -2.274 2.398) 5.345 8.743 ( 2.398 2.247 4.481) 5.557 8.927 ( 6.549 -4.623 2.633) 8.438 9.784 ( 3.969 4.376 -0.410) 5.922 9.905 ( 8.357 -0.004 -0.284) 8.362 10.222 ( -2.666 1.404 -0.545) 3.062 10.284 ( 0.426 -0.747 -0.066) 0.862 11.142 ( -1.234 3.616 1.062) 3.965 11.284 ( 2.667 -1.675 -3.469) 4.686 11.604 ( -4.900 -0.752 1.674) 5.232 11.727 ( -0.950 -6.110 0.105) 6.184 12.781 ( 3.132 -0.153 -2.212) 3.837 12.866 ( 2.759 -4.812 -3.869) 6.762 12.988 ( -1.260 -0.335 -0.770) 1.514 13.033 ( 3.377 -1.960 1.389) 4.145 13.723 ( -2.142 8.399 -4.039) 9.563 13.760 ( -0.713 6.241 -5.894) 8.614 14.159 ( -2.780 5.865 0.604) 6.519 14.303 ( 5.359 0.004 -1.337) 5.523 14.963 ( -10.808 -0.546 9.307) 14.273 15.083 ( -12.185 -7.158 4.235) 14.753 15.570 ( -0.341 3.345 0.322) 3.377 15.715 ( 5.309 -3.998 3.254) 7.400 21.407 ( -2.832 9.287 6.169) 11.503 21.600 ( -0.156 4.254 -2.998) 5.206 21.935 ( -3.873 -1.077 2.370) 4.666 22.079 ( -4.352 -4.163 -8.380) 10.320 22.929 ( -1.224 1.825 1.683) 2.768 22.998 ( -1.969 -1.050 0.874) 2.396 23.218 ( -3.120 0.609 -2.285) 3.914 23.258 ( -5.537 -1.102 -3.479) 6.632 23.635 ( 13.602 1.245 3.721) 14.157 23.706 ( 12.515 -1.605 -3.176) 13.011 24.412 ( 0.111 1.989 2.421) 3.135 24.480 ( 0.849 1.281 -0.257) 1.558 24.630 ( 3.652 -1.503 -0.809) 4.031 24.725 ( 6.626 -3.148 -1.726) 7.536 25.485 ( -1.590 -2.645 1.091) 3.274 25.494 ( 0.358 -3.503 3.069) 4.671 ======================= Grid point 178 (93/136) ======================= q-point: ( 0.18 0.33 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.411 ( 2.455 8.423 -13.620) 16.202 1.538 ( 8.627 1.686 9.998) 13.313 1.677 ( 2.431 -1.613 14.686) 14.973 1.897 ( 6.396 -11.319 -1.904) 13.139 2.089 ( 10.360 7.267 -0.773) 12.678 2.418 ( 11.437 -3.126 3.728) 12.428 2.560 ( 4.129 2.361 3.267) 5.771 2.682 ( 4.249 -0.300 -0.416) 4.280 2.869 ( 4.840 1.291 3.371) 6.037 3.057 ( 17.287 0.490 1.959) 17.405 3.157 ( 3.078 9.981 -3.387) 10.980 3.377 ( 5.561 5.030 -1.902) 7.736 3.398 ( 16.153 9.225 5.135) 19.297 3.661 ( 5.535 -1.808 -1.847) 6.109 3.757 ( -4.830 -6.647 -3.315) 8.860 3.782 ( 4.547 3.641 4.159) 7.157 3.933 ( -0.584 -5.339 0.718) 5.419 4.212 ( 7.709 -8.687 0.357) 11.619 4.301 ( 7.202 7.143 -10.598) 14.670 4.397 ( 1.906 1.188 -3.757) 4.377 4.620 ( 6.456 -2.653 -1.055) 7.059 4.768 ( 0.670 -3.645 6.329) 7.335 4.774 ( 2.399 1.534 1.977) 3.466 4.930 ( 2.799 -2.948 -7.099) 8.180 5.430 ( -2.091 1.719 -0.131) 2.710 5.577 ( 0.465 -1.998 0.676) 2.160 5.788 ( 2.016 -3.926 1.845) 4.784 5.915 ( 6.706 -8.907 1.492) 11.248 6.136 ( -16.542 4.675 -1.611) 17.265 6.306 ( -10.468 -1.089 1.356) 10.611 6.625 ( -1.419 2.780 4.561) 5.527 6.764 ( -5.534 -0.699 3.063) 6.363 6.985 ( -8.501 4.015 -6.909) 11.667 7.167 ( -6.505 -3.483 -4.154) 8.467 7.417 ( -0.974 1.203 -0.643) 1.676 7.508 ( -1.995 -2.207 -3.527) 4.614 7.871 ( -8.166 7.616 0.084) 11.167 8.248 ( -0.302 -7.682 -1.947) 7.931 8.764 ( 12.519 1.404 1.407) 12.676 8.832 ( 2.355 3.396 3.230) 5.245 8.847 ( 8.527 -2.759 2.835) 9.400 9.026 ( 2.954 -3.725 0.438) 4.774 9.898 ( 8.069 4.478 0.814) 9.264 10.061 ( 7.584 0.679 1.042) 7.685 10.158 ( -2.562 0.624 -2.530) 3.654 10.266 ( -1.557 -1.410 -1.239) 2.439 11.133 ( 0.190 3.561 -0.489) 3.599 11.286 ( 2.204 -1.333 -3.676) 4.488 11.528 ( -2.912 1.023 -0.996) 3.243 11.723 ( -1.715 -8.345 3.223) 9.109 12.797 ( 0.507 -1.514 -2.107) 2.644 12.852 ( 1.022 -4.819 -3.459) 6.019 13.010 ( 3.224 3.446 -0.275) 4.727 13.109 ( 3.112 -0.944 1.906) 3.769 13.615 ( -5.399 6.188 -3.485) 8.921 13.668 ( -3.503 5.243 -4.537) 7.768 14.111 ( -2.760 7.230 -0.703) 7.771 14.373 ( 4.867 -2.861 -3.332) 6.555 14.869 ( -10.048 -0.974 7.450) 12.547 14.940 ( -9.839 -4.784 9.011) 14.174 15.578 ( 0.854 5.204 -0.822) 5.337 15.810 ( 1.254 -6.188 2.948) 6.968 21.417 ( -3.203 9.719 6.629) 12.193 21.570 ( 0.610 4.726 -3.669) 6.014 21.883 ( -6.201 -4.591 1.978) 7.965 21.930 ( -5.205 -4.837 -2.426) 7.509 22.846 ( -7.855 0.480 -1.558) 8.023 22.906 ( -6.897 -1.748 -0.096) 7.116 23.239 ( 6.893 2.815 -0.139) 7.447 23.312 ( 11.008 -0.556 -0.538) 11.036 23.800 ( 6.222 0.929 -3.362) 7.133 23.907 ( 8.722 -3.365 4.216) 10.256 24.401 ( -1.043 2.902 -1.637) 3.491 24.500 ( 0.752 -0.063 0.213) 0.785 24.737 ( 9.339 1.847 0.432) 9.530 24.849 ( 7.780 -1.177 -0.079) 7.869 25.431 ( -2.048 -1.051 -2.099) 3.115 25.541 ( 1.048 -6.296 1.306) 6.515 ======================= Grid point 179 (94/136) ======================= q-point: ( 0.27 0.33 -0.67) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.344 ( 3.648 12.418 -8.162) 15.301 1.711 ( 4.228 1.666 1.476) 4.778 1.844 ( -0.456 -0.094 16.551) 16.558 2.058 ( 9.253 -7.821 6.355) 13.681 2.256 ( 10.484 5.169 -0.600) 11.704 2.543 ( -1.106 2.423 4.232) 5.000 2.662 ( 4.224 -7.379 2.297) 8.808 2.705 ( 0.307 -4.271 -2.846) 5.142 2.964 ( 1.452 7.703 7.105) 10.580 3.121 ( -1.040 7.718 -4.591) 9.040 3.295 ( 6.725 -3.073 3.532) 8.195 3.343 ( -6.564 1.026 0.347) 6.653 3.618 ( -3.133 0.113 -1.849) 3.640 3.683 ( 5.920 0.864 2.703) 6.565 3.806 ( 1.881 -1.403 -5.406) 5.893 3.904 ( 0.692 -7.502 -2.092) 7.819 4.069 ( 23.265 6.841 3.847) 24.554 4.329 ( 22.415 3.286 -3.060) 22.860 4.410 ( 9.661 2.872 -3.779) 10.764 4.545 ( 7.660 1.425 3.240) 8.439 4.759 ( 9.145 -0.148 -0.637) 9.169 4.832 ( 2.991 -6.667 1.822) 7.530 4.878 ( 5.535 -1.033 -2.473) 6.150 4.941 ( 6.375 -8.783 2.043) 11.044 5.396 ( -3.833 5.342 -1.147) 6.674 5.560 ( -4.036 1.368 0.841) 4.344 5.642 ( -14.498 6.356 -2.125) 15.972 5.894 ( -6.235 -3.270 -0.315) 7.047 6.048 ( 5.551 -3.055 -0.677) 6.372 6.175 ( -4.129 -5.554 -2.067) 7.223 6.649 ( -2.225 4.988 3.918) 6.722 6.738 ( -6.973 6.460 -9.108) 13.165 6.810 ( -0.645 -0.545 7.421) 7.469 7.046 ( -2.016 -6.192 -0.372) 6.522 7.413 ( 1.533 -0.282 -0.697) 1.708 7.504 ( 1.668 -3.725 -0.104) 4.082 7.737 ( -4.703 9.121 -1.935) 10.443 8.180 ( -4.700 -10.226 -2.377) 11.502 8.824 ( -4.981 1.813 0.564) 5.331 8.904 ( -1.432 -1.288 0.730) 2.060 9.035 ( 8.334 -0.316 3.837) 9.181 9.093 ( 8.369 -1.938 -1.642) 8.746 10.031 ( 5.104 2.391 -0.317) 5.645 10.078 ( -1.181 4.032 -3.100) 5.222 10.166 ( 2.301 -1.724 -0.428) 2.907 10.221 ( -1.436 -0.840 -1.706) 2.383 11.149 ( 3.042 3.590 -1.122) 4.837 11.312 ( 4.431 -0.567 -1.798) 4.816 11.504 ( 0.738 1.629 -0.232) 1.803 11.732 ( -1.099 -8.155 3.602) 8.983 12.765 ( -0.969 -0.973 -1.957) 2.391 12.851 ( 1.091 -4.010 -1.428) 4.394 13.053 ( 2.032 5.236 -1.315) 5.768 13.165 ( 0.954 0.100 1.668) 1.924 13.492 ( -4.193 4.473 -3.424) 7.022 13.578 ( -3.623 1.351 -0.422) 3.890 14.053 ( -2.317 7.306 -1.825) 7.879 14.379 ( 0.757 -6.533 -6.189) 9.031 14.800 ( -5.650 1.595 8.672) 10.472 14.916 ( -5.210 -3.777 10.828) 12.596 15.569 ( -0.263 5.313 -2.301) 5.796 15.806 ( -2.913 -6.103 -0.511) 6.781 21.425 ( -3.470 9.698 6.709) 12.292 21.552 ( 1.523 3.762 -3.762) 5.534 21.759 ( -4.622 -3.468 -4.325) 7.217 21.861 ( -6.483 -7.917 5.649) 11.688 22.710 ( -5.390 0.948 -1.810) 5.764 22.790 ( -4.773 -2.444 -1.404) 5.543 23.421 ( 10.500 3.866 3.323) 11.673 23.516 ( 11.783 -0.624 0.684) 11.819 23.834 ( 1.900 2.242 -3.131) 4.294 24.032 ( 1.378 -5.808 2.812) 6.598 24.370 ( 0.112 3.406 -2.003) 3.953 24.503 ( 0.193 -2.066 -1.254) 2.425 24.923 ( 9.068 3.752 1.871) 9.991 24.982 ( 7.116 1.724 1.822) 7.545 25.388 ( -0.037 -0.905 -2.605) 2.758 25.561 ( 1.541 -7.370 -1.570) 7.691 ======================= Grid point 180 (95/136) ======================= q-point: ( 0.36 0.33 -0.67) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.400 ( 7.248 12.307 0.334) 14.287 1.755 ( 2.908 -1.616 -2.204) 3.991 1.962 ( -5.543 4.221 17.046) 18.415 2.272 ( 5.500 -7.158 8.056) 12.099 2.449 ( 10.066 5.426 1.184) 11.496 2.525 ( -1.194 0.488 -0.010) 1.290 2.666 ( 1.139 -6.994 -3.340) 7.834 2.745 ( 1.903 -4.886 1.387) 5.424 2.960 ( -7.513 8.404 -0.920) 11.310 3.051 ( -5.183 5.800 -2.262) 8.101 3.268 ( 3.315 -2.418 4.278) 5.928 3.409 ( 0.962 -2.001 3.728) 4.339 3.601 ( -3.168 -1.435 5.090) 6.165 3.698 ( -0.139 1.820 -3.639) 4.071 3.763 ( 1.059 -2.228 4.207) 4.877 3.939 ( 1.703 -8.317 1.844) 8.688 4.454 ( 10.885 7.727 0.658) 13.365 4.508 ( 6.227 6.428 -1.824) 9.133 4.681 ( 5.955 3.053 -2.583) 7.174 4.791 ( 20.308 0.751 -0.618) 20.331 4.858 ( 0.825 -0.476 -2.093) 2.299 4.877 ( 12.869 1.525 -2.941) 13.288 4.944 ( 5.484 -2.574 3.250) 6.874 5.092 ( 1.072 -4.442 2.470) 5.194 5.286 ( -4.068 -0.495 1.396) 4.330 5.446 ( -7.560 -2.166 2.299) 8.193 5.513 ( 1.450 6.759 -2.573) 7.376 5.814 ( -1.838 -5.638 -1.105) 6.032 6.092 ( -1.779 -1.898 -6.465) 6.969 6.133 ( 5.371 -2.768 -2.788) 6.655 6.535 ( -2.959 9.742 -6.268) 11.956 6.636 ( -7.262 5.785 0.809) 9.319 6.852 ( -1.531 1.494 6.655) 6.990 7.095 ( 3.788 -9.162 3.992) 10.688 7.433 ( -2.635 0.158 1.552) 3.062 7.555 ( 5.596 -1.990 2.925) 6.620 7.750 ( 10.986 2.629 -4.684) 12.229 8.048 ( -6.191 -9.848 -4.247) 12.383 8.666 ( -13.557 2.316 0.342) 13.758 8.775 ( -10.912 -2.410 -2.279) 11.405 9.189 ( 6.682 0.449 1.207) 6.805 9.243 ( 7.864 -2.026 0.641) 8.146 9.999 ( -1.664 2.031 -3.685) 4.525 10.090 ( 1.148 -0.227 -3.298) 3.500 10.158 ( -1.111 -0.065 -1.120) 1.579 10.188 ( -0.419 0.836 -2.445) 2.618 11.224 ( 5.652 4.773 0.817) 7.443 11.396 ( 5.521 1.858 -0.297) 5.833 11.541 ( 2.511 -0.425 1.796) 3.116 11.746 ( -1.380 -6.652 2.959) 7.410 12.741 ( -0.050 0.608 -1.038) 1.204 12.852 ( -0.021 -3.275 -0.418) 3.301 13.054 ( 0.481 5.491 -2.113) 5.903 13.159 ( -2.253 0.232 -0.587) 2.340 13.437 ( 0.648 2.448 -0.802) 2.656 13.538 ( -2.588 -1.390 2.678) 3.975 14.001 ( -1.164 6.260 -2.349) 6.787 14.293 ( -2.608 -6.848 -6.688) 9.921 14.839 ( -0.883 2.242 9.511) 9.811 14.953 ( -3.057 -3.313 10.878) 11.775 15.526 ( -1.094 4.584 -3.944) 6.146 15.718 ( -3.908 -4.641 -4.323) 7.450 21.422 ( -4.028 8.942 5.807) 11.398 21.551 ( 2.325 2.542 -3.474) 4.893 21.672 ( -0.744 -2.990 -2.938) 4.258 21.801 ( -6.604 -8.698 4.999) 12.011 22.632 ( -2.170 1.560 -0.770) 2.781 22.724 ( -1.899 -2.470 -0.672) 3.187 23.621 ( 8.216 3.130 2.873) 9.249 23.718 ( 9.945 -0.866 1.952) 10.172 23.813 ( -1.245 3.140 -2.162) 4.011 24.022 ( -2.895 -3.451 0.199) 4.509 24.369 ( 1.033 1.000 -1.201) 1.873 24.482 ( -0.593 -2.838 -2.141) 3.604 25.052 ( 4.621 4.475 1.782) 6.675 25.125 ( 5.265 4.168 3.119) 7.404 25.381 ( 1.621 -2.390 -1.878) 3.445 25.566 ( 1.867 -7.284 -3.367) 8.239 ======================= Grid point 181 (96/136) ======================= q-point: ( 0.45 0.33 -0.67) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.577 ( 8.045 7.527 6.494) 12.789 1.791 ( 0.923 -3.003 1.384) 3.433 2.004 ( -4.185 6.514 12.340) 14.568 2.346 ( -2.742 -5.576 0.823) 6.268 2.512 ( -0.014 0.512 3.173) 3.214 2.526 ( -4.629 5.145 -1.602) 7.103 2.628 ( -5.593 -3.105 -6.204) 8.912 2.773 ( 8.364 -4.376 -1.468) 9.552 2.921 ( 1.601 1.283 5.502) 5.872 2.972 ( 1.285 -0.162 -1.134) 1.722 3.393 ( -0.723 5.069 2.471) 5.685 3.468 ( 6.720 2.244 3.848) 8.062 3.595 ( -1.668 -3.838 3.752) 5.620 3.722 ( 1.287 -2.679 0.996) 3.134 3.872 ( 4.215 -2.882 10.155) 11.367 3.987 ( 0.382 -6.494 4.878) 8.131 4.426 ( -9.918 6.487 -5.315) 12.988 4.545 ( -1.039 5.618 -2.329) 6.170 4.603 ( -0.219 3.785 -4.673) 6.017 4.805 ( -1.857 -1.180 -6.123) 6.507 4.962 ( 3.774 4.858 0.527) 6.175 4.989 ( -0.208 2.221 0.704) 2.340 5.186 ( 9.008 -1.675 -1.706) 9.319 5.245 ( 2.370 0.546 3.058) 3.908 5.305 ( 13.731 -3.071 6.129) 15.347 5.396 ( 3.550 -1.014 1.321) 3.921 5.582 ( 0.240 1.672 3.576) 3.955 5.794 ( -0.475 -5.906 -0.048) 5.925 5.953 ( -6.746 3.923 -8.247) 11.354 6.140 ( 0.525 -3.800 -7.651) 8.559 6.453 ( -5.418 6.129 -2.605) 8.585 6.495 ( -3.141 5.092 -1.808) 6.250 6.922 ( 2.459 3.455 7.717) 8.806 7.228 ( 6.832 -10.381 4.468) 13.206 7.370 ( -3.942 2.281 -0.497) 4.581 7.678 ( -0.467 -9.639 -0.445) 9.660 7.932 ( 11.447 1.108 -2.588) 11.788 8.030 ( 14.799 -2.452 -1.291) 15.056 8.386 ( -18.264 2.790 -0.096) 18.476 8.509 ( -15.202 -3.264 -5.007) 16.334 9.290 ( 2.922 0.501 2.068) 3.615 9.351 ( 3.362 -2.350 0.919) 4.204 9.938 ( -1.147 2.346 -3.444) 4.322 10.035 ( -1.825 -0.394 -5.303) 5.622 10.120 ( -1.183 -0.109 -1.346) 1.795 10.169 ( 0.767 -0.497 -2.824) 2.968 11.339 ( 5.079 5.800 2.330) 8.054 11.460 ( 1.929 5.469 -0.813) 5.856 11.621 ( 3.226 -4.215 3.721) 6.482 11.733 ( -3.120 -4.909 2.085) 6.179 12.747 ( 1.304 1.634 0.048) 2.091 12.836 ( -1.329 -1.167 -0.665) 1.889 13.051 ( 1.850 2.897 -1.820) 3.889 13.100 ( -2.194 -0.056 -2.131) 3.059 13.483 ( 3.824 0.460 1.159) 4.022 13.527 ( -2.168 -0.895 3.022) 3.826 13.973 ( 0.074 4.204 -1.500) 4.464 14.182 ( -2.535 -5.267 -6.478) 8.725 14.934 ( 0.594 1.296 9.915) 10.017 15.015 ( -2.166 -2.690 10.848) 11.384 15.459 ( -1.347 3.920 -5.207) 6.655 15.607 ( -2.193 -3.274 -6.797) 7.857 21.402 ( -4.003 6.997 4.540) 9.251 21.556 ( 2.147 2.083 -3.499) 4.604 21.684 ( 2.994 -3.167 0.236) 4.364 21.737 ( -4.589 -7.431 2.684) 9.136 22.617 ( 0.339 1.820 0.535) 1.927 22.702 ( -0.233 -2.002 -0.742) 2.148 23.714 ( -2.603 3.949 2.224) 5.227 23.768 ( 1.536 0.737 -2.985) 3.436 23.890 ( 7.007 -0.592 2.508) 7.466 23.989 ( -0.492 -2.667 0.613) 2.781 24.368 ( 0.243 0.412 -1.053) 1.156 24.441 ( -1.700 -1.881 -2.421) 3.506 25.127 ( 1.760 5.182 2.185) 5.893 25.199 ( 0.560 5.569 1.724) 5.856 25.399 ( 1.207 -4.098 -0.151) 4.274 25.558 ( 1.467 -7.412 -4.305) 8.696 ======================= Grid point 182 (97/136) ======================= q-point: (-0.45 0.33 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.679 ( -8.503 4.117 5.202) 10.785 1.821 ( 3.529 -0.355 3.122) 4.725 2.118 ( 1.760 5.462 8.907) 10.595 2.221 ( -4.043 2.112 -5.243) 6.950 2.360 ( -9.412 -3.434 3.806) 10.718 2.530 ( -4.331 -7.643 3.868) 9.598 2.606 ( 6.694 3.541 -0.414) 7.584 2.883 ( 6.974 -4.380 -5.009) 9.639 2.967 ( -0.727 2.877 1.855) 3.500 3.056 ( 4.835 0.450 -0.742) 4.912 3.388 ( -1.660 4.096 3.258) 5.491 3.527 ( -1.702 2.038 -1.472) 3.036 3.649 ( 1.895 -2.137 5.236) 5.965 3.738 ( 0.538 -3.718 -1.599) 4.083 3.994 ( -3.500 -1.221 7.741) 8.583 4.098 ( 2.973 -2.839 6.028) 7.297 4.288 ( 1.350 1.043 -0.005) 1.706 4.424 ( -2.464 -2.930 -5.671) 6.843 4.560 ( -1.618 5.823 0.945) 6.117 4.691 ( -4.628 2.019 -5.522) 7.482 4.964 ( -1.688 3.790 -0.218) 4.155 5.084 ( 4.142 3.051 -1.737) 5.430 5.182 ( -4.376 2.687 -1.539) 5.360 5.290 ( 3.312 -0.851 -2.273) 4.106 5.412 ( -2.124 5.089 5.485) 7.778 5.508 ( -12.321 3.010 -1.085) 12.729 5.581 ( -1.019 1.889 6.710) 7.045 5.776 ( -2.994 -6.489 2.438) 7.551 5.821 ( 5.980 0.334 -3.380) 6.878 6.003 ( -6.369 -6.385 -8.945) 12.702 6.388 ( 0.825 3.816 0.560) 3.944 6.468 ( 1.958 0.306 -2.182) 2.948 7.083 ( 5.852 4.555 8.053) 10.948 7.265 ( -2.224 -0.766 -5.167) 5.677 7.456 ( 10.713 -6.446 6.101) 13.912 7.556 ( -4.257 -7.378 -6.558) 10.750 8.041 ( -15.392 2.219 -1.212) 15.598 8.154 ( -12.203 -3.414 -7.980) 14.975 8.230 ( 13.360 2.730 4.465) 14.348 8.353 ( 14.710 -3.121 0.988) 15.070 9.311 ( -3.587 -0.134 2.465) 4.355 9.362 ( -2.977 -2.400 0.204) 3.830 9.912 ( 1.598 2.286 -1.842) 3.342 9.962 ( -0.242 1.448 -4.374) 4.614 10.101 ( -0.018 -0.749 -0.510) 0.907 10.152 ( 0.521 -2.026 -2.937) 3.606 11.414 ( 0.191 5.535 0.878) 5.608 11.450 ( -0.633 6.213 -1.202) 6.360 11.656 ( -5.457 -4.145 2.806) 7.405 11.724 ( 1.866 -5.072 2.328) 5.885 12.779 ( 1.156 1.264 0.473) 1.777 12.804 ( -0.448 0.982 -1.015) 1.481 13.040 ( -1.089 1.410 -1.855) 2.572 13.097 ( 4.069 -0.754 -2.096) 4.639 13.517 ( -1.539 1.567 1.537) 2.681 13.581 ( 6.147 -1.408 1.039) 6.391 13.972 ( -0.004 1.767 0.588) 1.863 14.090 ( -0.556 -3.263 -6.087) 6.929 15.040 ( 0.019 0.154 9.507) 9.508 15.089 ( -1.153 -2.157 10.909) 11.180 15.386 ( -0.856 3.882 -5.178) 6.528 15.519 ( 0.183 -2.632 -7.515) 7.964 21.379 ( -3.435 5.262 4.108) 7.507 21.558 ( 1.184 1.049 -2.258) 2.757 21.680 ( -1.996 -3.351 0.816) 3.985 21.791 ( 7.129 -4.383 0.585) 8.389 22.645 ( 1.684 1.222 1.096) 2.352 22.691 ( 0.295 -0.885 -1.993) 2.201 23.644 ( -5.854 3.805 2.394) 7.381 23.766 ( -0.991 -1.132 -0.546) 1.601 23.997 ( 0.859 -1.684 -0.794) 2.050 24.005 ( 4.314 -1.372 0.366) 4.541 24.369 ( -0.382 0.645 -0.251) 0.791 24.376 ( -2.201 0.528 -1.676) 2.816 25.152 ( -1.464 5.727 2.347) 6.360 25.187 ( -2.982 5.028 0.648) 5.882 25.408 ( -0.666 -4.307 0.882) 4.446 25.532 ( 0.371 -8.734 -4.433) 9.802 ======================= Grid point 183 (98/136) ======================= q-point: (-0.36 0.33 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.507 ( -12.190 8.427 0.774) 14.839 1.764 ( -9.482 2.055 -5.591) 11.198 2.104 ( -4.255 4.212 10.376) 11.980 2.274 ( -2.617 -2.189 6.101) 6.990 2.372 ( 4.878 -2.958 4.309) 7.149 2.481 ( -5.541 -6.890 3.410) 9.477 2.741 ( 8.384 1.918 -1.039) 8.663 2.922 ( 3.580 -3.676 -5.606) 7.600 2.944 ( 0.179 4.956 -2.321) 5.475 3.074 ( 1.165 -0.875 -2.735) 3.099 3.398 ( -1.174 2.578 3.224) 4.291 3.487 ( -0.114 3.495 -2.171) 4.116 3.669 ( -4.628 -3.125 0.563) 5.612 3.718 ( 0.587 0.923 -1.653) 1.982 3.939 ( -7.040 -3.214 0.894) 7.790 4.048 ( -7.111 -5.267 -2.337) 9.153 4.350 ( -3.679 4.879 2.460) 6.587 4.464 ( -8.089 3.852 2.396) 9.275 4.491 ( -2.442 1.309 6.217) 6.807 4.615 ( -0.695 0.149 0.787) 1.060 4.889 ( -6.496 5.714 -0.899) 8.698 4.976 ( -12.035 8.802 -4.237) 15.501 5.044 ( -2.602 -0.057 -6.041) 6.578 5.308 ( -4.251 1.378 0.285) 4.478 5.327 ( 1.070 -0.372 -0.967) 1.489 5.407 ( 3.732 -2.802 -2.196) 5.157 5.596 ( -7.568 -1.841 3.125) 8.392 5.758 ( -2.967 -7.714 -0.946) 8.319 5.794 ( 1.505 -0.906 1.331) 2.204 5.919 ( -0.930 -4.439 0.217) 4.541 6.473 ( 5.111 7.345 1.845) 9.136 6.536 ( 6.160 3.037 2.316) 7.248 7.150 ( -0.137 -0.081 -4.871) 4.874 7.257 ( 2.603 -0.343 1.975) 3.285 7.488 ( 3.637 -0.189 -4.637) 5.897 7.633 ( -2.388 -3.682 0.762) 4.454 7.831 ( -6.181 -1.688 0.554) 6.431 7.890 ( 0.067 -4.649 -7.148) 8.528 8.507 ( 10.456 1.880 5.508) 11.966 8.610 ( 10.958 -2.740 2.998) 11.686 9.215 ( -9.206 -0.729 1.747) 9.398 9.261 ( -7.856 -2.404 -0.427) 8.227 9.927 ( 0.837 3.191 -1.110) 3.481 9.972 ( 3.471 0.842 -0.020) 3.572 10.106 ( 0.665 -0.331 -0.075) 0.746 10.135 ( 0.703 -2.428 -1.840) 3.127 11.339 ( -5.409 4.327 -2.850) 7.491 11.438 ( -1.550 4.799 -1.280) 5.203 11.565 ( -6.850 -1.781 2.052) 7.369 11.771 ( 0.838 -6.605 1.935) 6.933 12.763 ( -0.543 1.562 -1.570) 2.281 12.825 ( 0.867 -0.533 0.617) 1.190 13.022 ( 1.121 3.847 -1.672) 4.342 13.152 ( 4.249 -2.443 -1.725) 5.196 13.505 ( -0.112 4.276 -0.944) 4.380 13.707 ( 7.864 -3.739 -0.838) 8.748 13.956 ( -1.779 1.747 -0.769) 2.609 14.074 ( 2.855 -1.820 -1.028) 3.538 15.095 ( -2.144 0.502 5.505) 5.929 15.190 ( 0.849 -3.558 8.373) 9.138 15.347 ( 0.106 3.879 -0.715) 3.945 15.478 ( 2.550 -2.120 -4.541) 5.623 21.365 ( -2.864 4.394 4.127) 6.674 21.554 ( -0.364 -2.402 0.550) 2.491 21.681 ( 3.155 4.534 -2.704) 6.150 21.943 ( 9.732 -6.122 0.190) 11.499 22.672 ( 0.581 0.452 -2.660) 2.760 22.689 ( 2.085 -0.180 0.581) 2.172 23.572 ( -5.826 2.820 2.880) 7.084 23.715 ( -5.616 -3.847 1.102) 6.896 24.000 ( 1.933 2.033 -1.492) 3.177 24.037 ( 0.383 1.269 -4.259) 4.461 24.300 ( -3.246 1.915 0.487) 3.800 24.393 ( 0.489 -1.383 1.294) 1.956 25.103 ( -6.232 4.275 0.873) 7.608 25.140 ( -3.300 5.121 1.706) 6.327 25.396 ( -1.342 -5.445 -0.162) 5.610 25.478 ( -2.394 -9.805 -2.744) 10.460 ======================= Grid point 184 (99/136) ======================= q-point: (-0.27 0.33 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.294 ( -11.752 14.093 -2.185) 18.480 1.556 ( -9.358 8.367 1.001) 12.593 2.118 ( -7.162 -5.169 10.661) 13.844 2.271 ( -5.426 -6.383 7.266) 11.089 2.341 ( -7.927 -0.641 -1.459) 8.086 2.448 ( -0.989 -0.416 -5.280) 5.388 2.815 ( 2.217 1.618 -4.558) 5.320 2.901 ( -0.617 -1.933 -5.711) 6.061 2.946 ( 1.031 4.773 -0.289) 4.892 3.148 ( 6.444 -1.464 4.732) 8.128 3.411 ( 1.890 4.566 -1.639) 5.206 3.469 ( -1.458 5.565 0.441) 5.770 3.533 ( -9.668 4.039 -0.831) 10.511 3.668 ( -11.972 2.628 -1.851) 12.397 3.741 ( -12.365 -4.941 1.478) 13.397 3.881 ( -8.357 -7.702 -3.090) 11.777 4.106 ( -19.180 2.233 3.998) 19.719 4.336 ( -9.127 -0.673 4.354) 10.135 4.437 ( -7.855 2.987 -2.652) 8.812 4.500 ( -9.865 -2.255 -5.289) 11.418 4.776 ( -3.843 9.044 -1.030) 9.881 4.855 ( -1.776 4.571 -2.921) 5.708 4.953 ( -2.908 -1.442 -3.628) 4.868 5.212 ( -5.298 -7.766 -5.159) 10.724 5.331 ( -4.943 -2.194 0.832) 5.472 5.440 ( 10.347 1.476 2.932) 10.855 5.684 ( 8.638 5.368 -1.112) 10.231 5.787 ( 3.508 -8.817 5.189) 10.815 5.839 ( 3.947 -5.305 4.865) 8.209 5.927 ( 0.866 -4.109 3.293) 5.337 6.537 ( 4.531 12.940 -2.374) 13.915 6.704 ( 6.431 5.196 5.550) 9.958 7.123 ( 2.812 -1.509 -6.695) 7.417 7.255 ( -1.875 -6.348 -2.754) 7.169 7.492 ( -4.499 0.707 0.622) 4.597 7.526 ( 1.981 -1.106 -9.088) 9.367 7.767 ( 6.165 3.891 -2.692) 7.771 8.047 ( 8.632 -7.683 3.195) 11.989 8.671 ( 2.333 1.116 4.980) 5.611 8.766 ( 2.325 -2.317 4.729) 5.757 9.055 ( -10.898 -0.986 2.060) 11.135 9.106 ( -9.439 -2.788 0.074) 9.842 9.946 ( 1.579 3.453 1.384) 4.042 9.997 ( -1.340 -0.153 -0.434) 1.417 10.121 ( 0.613 0.865 0.550) 1.194 10.156 ( 2.423 -1.703 0.459) 2.997 11.211 ( -4.939 3.284 -3.502) 6.888 11.353 ( -5.629 -1.552 -2.550) 6.372 11.490 ( -3.024 4.909 1.025) 5.856 11.795 ( 0.466 -7.948 1.120) 8.040 12.743 ( 0.015 1.429 -1.583) 2.133 12.830 ( -0.354 -1.891 -0.101) 1.927 13.031 ( 0.791 4.076 -1.087) 4.292 13.204 ( 3.022 -3.515 -1.021) 4.747 13.504 ( 2.743 7.269 -3.063) 8.351 13.801 ( 5.927 -6.682 -6.500) 11.046 13.947 ( 1.977 6.265 1.533) 6.746 14.137 ( 2.676 -1.999 2.837) 4.383 15.086 ( -1.573 1.439 0.340) 2.159 15.245 ( 0.653 -5.238 0.304) 5.287 15.369 ( 0.491 4.224 3.293) 5.378 15.552 ( 4.789 -3.759 6.444) 8.865 21.360 ( -2.365 4.559 4.223) 6.649 21.565 ( -0.164 -4.719 2.717) 5.447 21.737 ( 8.010 11.441 -4.968) 14.823 22.118 ( 11.195 -7.321 -2.221) 13.559 22.668 ( 1.878 1.256 -1.504) 2.714 22.735 ( 2.755 -1.583 0.675) 3.248 23.479 ( -7.590 1.655 0.776) 7.807 23.590 ( -9.317 -3.737 -0.153) 10.039 23.928 ( -5.369 8.174 -7.314) 12.212 24.051 ( 3.686 2.776 1.347) 4.807 24.284 ( -1.099 -0.281 2.208) 2.482 24.401 ( -1.319 -4.096 1.727) 4.636 24.985 ( -7.658 2.122 0.265) 7.951 25.081 ( -5.604 2.629 0.187) 6.192 25.318 ( -5.473 -7.767 -2.883) 9.929 25.444 ( -0.785 -6.906 2.478) 7.379 ======================= Grid point 185 (100/136) ======================= q-point: (-0.18 0.33 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.082 ( -10.162 19.082 -1.329) 21.660 1.466 ( -7.871 10.689 8.460) 15.741 2.045 ( -9.580 -8.690 4.141) 13.581 2.166 ( -4.765 2.373 -10.574) 11.838 2.205 ( -15.708 -5.993 10.298) 19.716 2.296 ( -6.736 -2.828 -7.292) 10.322 2.726 ( -9.705 4.682 -1.787) 10.923 2.754 ( -8.779 4.082 -3.580) 10.322 2.906 ( -7.722 7.326 -3.283) 11.139 3.207 ( -15.904 7.545 -5.863) 18.554 3.237 ( -6.027 4.697 1.930) 7.882 3.381 ( -10.769 6.379 3.916) 13.115 3.441 ( 2.886 -6.898 3.406) 8.216 3.556 ( -5.964 0.763 1.385) 6.170 3.616 ( 2.316 -0.733 2.872) 3.761 3.787 ( 0.154 -6.031 1.318) 6.175 3.869 ( -12.477 0.328 2.226) 12.678 4.193 ( -9.686 -1.103 1.340) 9.840 4.254 ( -7.480 -7.907 -9.853) 14.682 4.348 ( 2.985 -2.969 -5.463) 6.897 4.720 ( -2.313 4.687 -1.579) 5.460 4.763 ( -4.245 3.699 -1.626) 5.861 4.907 ( 1.681 0.483 -3.696) 4.089 5.083 ( -1.663 -9.638 -4.819) 10.903 5.327 ( -0.430 5.378 3.275) 6.312 5.633 ( -1.896 2.239 -3.318) 4.429 5.686 ( 4.292 -3.315 6.118) 8.176 5.865 ( -1.190 -2.977 5.231) 6.135 6.023 ( 11.666 -2.588 0.538) 11.962 6.139 ( 13.868 -3.550 7.388) 16.110 6.660 ( 10.047 10.599 3.187) 14.947 6.818 ( 3.126 4.416 1.197) 5.541 7.042 ( -4.742 -2.277 -8.670) 10.141 7.190 ( 0.163 -6.646 -3.790) 7.652 7.465 ( 1.818 -0.787 -1.008) 2.222 7.522 ( 7.201 -1.172 -7.046) 10.142 7.913 ( 10.480 5.724 -0.843) 11.971 8.165 ( 1.906 -4.399 1.713) 5.091 8.680 ( -6.608 0.993 4.443) 8.025 8.767 ( -6.401 -0.811 3.012) 7.121 8.893 ( -10.554 -1.394 2.956) 11.048 8.963 ( -8.027 -3.981 2.658) 9.346 9.919 ( -5.511 4.452 -0.383) 7.095 10.030 ( 4.613 1.976 2.575) 5.640 10.098 ( -3.516 0.224 -1.283) 3.750 10.214 ( 2.616 -2.360 1.621) 3.879 11.127 ( -1.319 2.011 -1.787) 2.996 11.236 ( -4.555 -2.571 -1.155) 5.356 11.481 ( 1.272 7.244 0.204) 7.358 11.813 ( 0.742 -8.215 0.190) 8.251 12.733 ( 0.306 0.503 -0.915) 1.088 12.818 ( -0.058 -2.616 -1.250) 2.900 13.017 ( -1.236 3.284 -0.810) 3.601 13.214 ( -0.993 -5.562 -1.229) 5.782 13.558 ( 7.355 9.845 -3.699) 12.833 13.806 ( 3.916 -1.601 -7.345) 8.476 14.037 ( 5.254 4.300 1.428) 6.938 14.202 ( 0.805 -1.264 3.514) 3.821 15.068 ( -0.366 1.107 0.163) 1.177 15.242 ( 0.818 -5.994 -2.405) 6.510 15.417 ( 0.496 6.040 4.197) 7.371 15.712 ( 3.214 -8.928 8.675) 12.857 21.366 ( -1.949 5.580 4.471) 7.411 21.593 ( 0.081 -4.266 2.664) 5.030 21.865 ( 12.763 13.437 -6.578) 19.665 22.259 ( 9.419 -6.530 -6.866) 13.360 22.731 ( 5.830 1.293 2.035) 6.309 22.819 ( 6.269 -2.307 2.436) 7.110 23.327 ( -8.859 1.353 -1.731) 9.127 23.387 ( -11.920 -0.555 -4.087) 12.614 23.759 ( -7.835 8.732 -2.570) 12.010 24.113 ( 0.568 -2.860 -1.531) 3.293 24.265 ( -2.854 0.617 0.970) 3.077 24.397 ( -2.014 -5.158 4.673) 7.246 24.845 ( -8.693 -0.249 -1.730) 8.867 24.915 ( -9.884 -3.252 -3.280) 10.910 25.245 ( -2.502 0.890 4.144) 4.921 25.474 ( 0.636 -6.937 3.126) 7.635 ======================= Grid point 186 (101/136) ======================= q-point: (-0.09 0.33 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.924 ( -9.496 19.933 4.296) 22.493 1.403 ( -11.046 7.231 11.459) 17.482 1.857 ( -14.671 -4.786 -5.157) 16.270 1.943 ( -8.113 -0.178 -0.863) 8.161 1.993 ( -6.972 -3.001 -7.179) 10.447 2.124 ( -9.085 -3.280 -2.681) 10.024 2.473 ( -18.692 12.634 5.577) 23.240 2.583 ( -4.294 4.089 0.188) 5.933 2.742 ( -2.722 8.428 -6.112) 10.761 2.963 ( -5.849 6.101 -8.455) 11.955 3.064 ( -21.103 -4.518 2.634) 21.741 3.227 ( -0.313 9.446 0.644) 9.473 3.515 ( 0.962 1.626 -3.255) 3.764 3.547 ( 1.157 -12.116 8.922) 15.091 3.653 ( -3.168 1.027 -3.815) 5.064 3.821 ( 1.733 2.202 9.337) 9.748 3.852 ( 0.976 -1.115 6.441) 6.610 4.080 ( -5.304 -14.373 -2.227) 15.482 4.128 ( 4.639 5.496 -6.279) 9.548 4.385 ( 7.479 -6.492 -6.561) 11.880 4.640 ( -3.449 3.090 -2.740) 5.381 4.711 ( -1.584 1.922 -0.635) 2.570 4.905 ( 0.732 2.276 -2.958) 3.803 5.057 ( 3.375 -3.289 -7.002) 8.440 5.350 ( 0.047 2.874 3.841) 4.798 5.565 ( -1.689 0.865 -0.224) 1.911 5.729 ( -4.187 -6.173 2.764) 7.955 5.830 ( -3.737 -11.675 -2.343) 12.481 6.268 ( 9.353 3.169 4.073) 10.682 6.417 ( 9.811 -3.540 4.986) 11.560 6.805 ( -0.655 6.385 -3.116) 7.135 6.871 ( 6.237 4.479 2.108) 7.963 6.964 ( 4.140 1.184 3.409) 5.492 7.186 ( 1.209 -9.871 -0.254) 9.948 7.516 ( 5.447 3.191 -0.963) 6.386 7.638 ( 13.653 -1.854 -7.262) 15.575 8.055 ( 4.902 2.362 -1.490) 5.642 8.148 ( -4.580 0.104 0.027) 4.582 8.558 ( -8.789 2.858 3.112) 9.752 8.659 ( -7.166 0.802 1.216) 7.312 8.768 ( -6.362 -1.794 3.447) 7.455 8.867 ( -8.583 -4.339 5.536) 11.097 9.814 ( -4.695 6.241 -1.319) 7.921 9.979 ( -6.577 0.942 -3.598) 7.556 10.145 ( 4.944 1.180 2.708) 5.759 10.262 ( 1.028 -2.285 1.101) 2.737 11.126 ( 0.742 1.283 0.961) 1.766 11.202 ( 1.089 -1.774 0.412) 2.122 11.534 ( 3.591 5.721 1.345) 6.887 11.814 ( -0.431 -6.842 -1.051) 6.936 12.735 ( 0.603 -0.475 -0.315) 0.830 12.813 ( 1.999 -3.241 -2.606) 4.615 12.984 ( -1.420 2.153 -0.384) 2.607 13.153 ( -3.698 -6.090 -2.184) 7.452 13.664 ( 8.367 10.000 -3.897) 13.609 13.810 ( 3.861 2.787 -5.968) 7.635 14.133 ( 4.568 3.001 0.720) 5.513 14.225 ( -1.226 0.647 2.229) 2.624 15.074 ( -1.865 0.101 3.915) 4.338 15.235 ( 0.280 -6.060 -1.226) 6.189 15.467 ( 1.411 5.282 3.370) 6.422 15.770 ( -4.108 -10.653 3.399) 11.913 21.379 ( -1.891 6.945 4.888) 8.701 21.617 ( 0.282 -2.058 1.444) 2.530 21.991 ( 9.075 10.075 -9.458) 16.532 22.293 ( 4.246 -4.614 -10.028) 11.827 22.895 ( 8.291 2.294 2.581) 8.981 23.024 ( 12.615 -3.251 2.873) 13.340 23.141 ( -9.309 3.280 -2.182) 10.108 23.193 ( -2.146 0.299 -1.448) 2.606 23.606 ( -9.240 4.131 0.586) 10.138 23.911 ( -16.524 -8.359 -6.926) 19.771 24.288 ( 1.141 3.300 4.860) 5.984 24.426 ( -0.419 -3.918 4.970) 6.342 24.668 ( -5.886 0.159 -3.300) 6.750 24.773 ( -4.917 -2.758 -1.737) 5.899 25.295 ( 0.944 2.714 7.594) 8.120 25.513 ( 0.169 -6.292 2.657) 6.832 ======================= Grid point 187 (102/136) ======================= q-point: ( 0.00 -0.50 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 132 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.185 ( -2.972 -12.685 5.160) 14.013 1.185 ( -2.972 12.685 5.160) 14.013 1.688 ( -3.697 -4.726 -1.948) 6.309 1.688 ( -3.697 4.726 -1.948) 6.309 1.999 ( 4.817 -1.586 -6.498) 8.242 1.999 ( 4.817 1.586 -6.498) 8.242 2.491 ( -4.585 -4.633 5.027) 8.232 2.491 ( -4.585 4.633 5.027) 8.232 2.732 ( -2.087 -2.187 -8.691) 9.202 2.732 ( -2.087 2.187 -8.691) 9.202 3.248 ( -0.834 -21.752 9.809) 23.876 3.248 ( -0.834 21.752 9.809) 23.876 3.481 ( 0.528 -10.574 0.256) 10.591 3.481 ( 0.528 10.574 0.256) 10.591 3.699 ( -0.623 -11.743 -3.470) 12.261 3.699 ( -0.623 11.743 -3.470) 12.261 3.918 ( -0.739 -3.340 4.837) 5.924 3.918 ( -0.739 3.340 4.837) 5.924 4.326 ( 8.151 -7.421 -5.755) 12.435 4.326 ( 8.151 7.421 -5.755) 12.435 4.665 ( -1.225 -2.379 0.233) 2.686 4.665 ( -1.225 2.379 0.233) 2.686 4.954 ( 0.235 -6.659 -5.668) 8.747 4.954 ( 0.235 6.659 -5.668) 8.747 5.469 ( -0.230 -5.926 0.618) 5.963 5.469 ( -0.230 5.926 0.618) 5.963 5.607 ( -1.912 -1.698 -1.146) 2.802 5.607 ( -1.912 1.698 -1.146) 2.802 6.400 ( -2.030 -1.497 1.564) 2.968 6.400 ( -2.030 1.497 1.564) 2.968 7.030 ( 7.169 -3.815 1.502) 8.259 7.030 ( 7.169 3.815 1.502) 8.259 7.043 ( -3.699 -6.626 2.478) 7.982 7.043 ( -3.699 6.626 2.478) 7.982 7.702 ( 4.451 -4.701 -3.526) 7.371 7.702 ( 4.451 4.701 -3.526) 7.371 8.039 ( -2.255 -1.612 -1.917) 3.370 8.039 ( -2.255 1.612 -1.917) 3.370 8.610 ( -0.677 -2.179 2.178) 3.155 8.610 ( -0.677 2.179 2.178) 3.155 8.732 ( -1.498 -1.629 5.019) 5.485 8.732 ( -1.498 1.629 5.019) 5.485 9.839 ( -1.209 -2.542 -2.655) 3.869 9.839 ( -1.209 2.542 -2.655) 3.869 10.253 ( 0.917 -1.002 1.641) 2.130 10.253 ( 0.917 1.002 1.641) 2.130 11.201 ( 1.598 -3.014 1.146) 3.599 11.201 ( 1.598 3.014 1.146) 3.599 11.670 ( -1.053 -4.786 -0.182) 4.904 11.670 ( -1.053 4.786 -0.182) 4.904 12.775 ( 3.304 -2.453 -2.850) 5.006 12.775 ( 3.304 2.453 -2.850) 5.006 12.995 ( -1.685 -1.940 -0.483) 2.615 12.995 ( -1.685 1.940 -0.483) 2.615 13.848 ( 3.728 -1.343 -5.182) 6.523 13.848 ( 3.728 1.343 -5.182) 6.523 14.239 ( 1.274 -0.991 0.910) 1.853 14.239 ( 1.274 0.991 0.910) 1.853 15.090 ( -6.935 -4.270 4.999) 9.556 15.090 ( -6.935 4.270 4.999) 9.556 15.596 ( 0.078 -3.431 1.254) 3.654 15.596 ( 0.078 3.431 1.254) 3.654 21.550 ( -1.284 -6.913 5.166) 8.725 21.550 ( -1.284 6.913 5.166) 8.725 22.114 ( -0.482 -6.552 -10.577) 12.452 22.114 ( -0.482 6.552 -10.577) 12.452 22.987 ( -2.165 -0.719 -0.974) 2.480 22.987 ( -2.165 0.719 -0.974) 2.480 23.305 ( 8.890 -0.854 0.802) 8.967 23.305 ( 8.890 0.854 0.802) 8.967 23.510 ( -5.662 -4.049 -0.356) 6.970 23.510 ( -5.662 4.049 -0.356) 6.970 24.412 ( 1.138 -3.071 4.552) 5.608 24.412 ( 1.138 3.071 4.552) 5.608 24.632 ( -0.286 -3.240 -3.422) 4.721 24.632 ( -0.286 3.240 -3.422) 4.721 25.439 ( -0.045 -3.494 4.058) 5.355 25.439 ( -0.045 3.494 4.058) 5.355 ======================= Grid point 189 (103/136) ======================= q-point: ( 0.09 -0.50 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 132 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.329 ( 9.103 -5.820 8.761) 13.910 1.329 ( 9.103 5.820 8.761) 13.910 1.664 ( 3.358 -5.774 -6.095) 9.043 1.664 ( 3.358 5.774 -6.095) 9.043 2.070 ( 9.475 -5.243 -1.352) 10.913 2.070 ( 9.475 5.243 -1.352) 10.913 2.571 ( 4.070 -5.620 2.621) 7.418 2.571 ( 4.070 5.620 2.621) 7.418 2.724 ( 9.817 -4.623 -0.218) 10.853 2.724 ( 9.817 4.623 -0.218) 10.853 3.344 ( 3.056 -15.977 2.801) 16.506 3.344 ( 3.056 15.977 2.801) 16.506 3.500 ( 1.169 -11.800 3.033) 12.240 3.500 ( 1.169 11.800 3.033) 12.240 3.659 ( 0.708 -8.726 -4.183) 9.703 3.659 ( 0.708 8.726 -4.183) 9.703 3.938 ( -0.103 -6.137 3.453) 7.042 3.938 ( -0.103 6.137 3.453) 7.042 4.395 ( 6.833 -8.483 -8.708) 13.945 4.395 ( 6.833 8.483 -8.708) 13.945 4.653 ( -2.053 -3.215 2.638) 4.638 4.653 ( -2.053 3.215 2.638) 4.638 4.880 ( -1.070 -7.239 -5.538) 9.177 4.880 ( -1.070 7.239 -5.538) 9.177 5.489 ( -0.001 -1.306 1.846) 2.262 5.489 ( -0.001 1.306 1.846) 2.262 5.637 ( 6.143 -2.656 1.002) 6.767 5.637 ( 6.143 2.656 1.002) 6.767 6.365 ( -4.321 -2.267 2.456) 5.463 6.365 ( -4.321 2.267 2.456) 5.463 6.870 ( -13.727 -5.865 -0.271) 14.930 6.870 ( -13.727 5.865 -0.271) 14.930 7.146 ( 2.888 -4.417 -1.284) 5.431 7.146 ( 2.888 4.417 -1.284) 5.431 7.601 ( -8.058 -3.653 -4.340) 9.855 7.601 ( -8.058 3.653 -4.340) 9.855 8.076 ( 3.094 -6.416 0.216) 7.127 8.076 ( 3.094 6.416 0.216) 7.127 8.642 ( 3.995 -3.549 2.284) 5.811 8.642 ( 3.995 3.549 2.284) 5.811 8.825 ( 5.316 -5.331 3.305) 8.222 8.825 ( 5.316 5.331 3.305) 8.222 9.865 ( 5.660 -3.489 -0.204) 6.652 9.865 ( 5.660 3.489 -0.204) 6.652 10.259 ( -1.156 -1.787 -0.040) 2.129 10.259 ( -1.156 1.787 -0.040) 2.129 11.223 ( 0.505 -4.164 -0.411) 4.214 11.223 ( 0.505 4.164 -0.411) 4.214 11.631 ( -3.175 -3.439 0.462) 4.703 11.631 ( -3.175 3.439 0.462) 4.703 12.797 ( 2.311 -2.014 -3.404) 4.581 12.797 ( 2.311 2.014 -3.404) 4.581 13.001 ( 2.445 -1.328 0.560) 2.838 13.001 ( 2.445 1.328 0.560) 2.838 13.814 ( -1.599 -0.922 -5.406) 5.713 13.814 ( -1.599 0.922 -5.406) 5.713 14.265 ( 1.533 -4.064 -0.716) 4.402 14.265 ( 1.533 4.064 -0.716) 4.402 14.981 ( -11.473 -2.913 7.113) 13.810 14.981 ( -11.473 2.913 7.113) 13.810 15.638 ( 2.765 -3.707 1.390) 4.829 15.638 ( 2.765 3.707 1.390) 4.829 21.572 ( -1.980 -6.395 4.972) 8.339 21.572 ( -1.980 6.395 4.972) 8.339 21.982 ( -4.505 -4.976 -6.447) 9.307 21.982 ( -4.505 4.976 -6.447) 9.307 22.968 ( -2.231 -1.928 1.229) 3.195 22.968 ( -2.231 1.928 1.229) 3.195 23.235 ( -3.531 -1.092 -2.887) 4.690 23.235 ( -3.531 1.092 -2.887) 4.690 23.669 ( 12.835 -2.022 0.235) 12.996 23.669 ( 12.835 2.022 0.235) 12.996 24.461 ( 0.151 -2.581 2.067) 3.310 24.461 ( 0.151 2.581 2.067) 3.310 24.654 ( 6.604 -3.436 -2.118) 7.740 24.654 ( 6.604 3.436 -2.118) 7.740 25.458 ( -1.278 -0.244 2.317) 2.658 25.458 ( -1.278 0.244 2.317) 2.658 ======================= Grid point 191 (104/136) ======================= q-point: ( 0.18 -0.50 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 132 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.564 ( 7.179 -3.219 2.112) 8.147 1.564 ( 7.179 3.219 2.112) 8.147 1.679 ( 4.668 -7.179 3.101) 9.107 1.679 ( 4.668 7.179 3.101) 9.107 2.274 ( 10.546 -9.865 2.733) 14.698 2.274 ( 10.546 9.865 2.733) 14.698 2.619 ( 1.854 -3.589 -0.395) 4.059 2.619 ( 1.854 3.589 -0.395) 4.059 2.983 ( 10.144 -6.518 6.100) 13.513 2.983 ( 10.144 6.518 6.100) 13.513 3.376 ( 1.884 -7.930 -3.530) 8.882 3.376 ( 1.884 7.930 -3.530) 8.882 3.599 ( 4.741 -8.803 -1.014) 10.050 3.599 ( 4.741 8.803 -1.014) 10.050 3.676 ( 8.012 -6.664 0.968) 10.466 3.676 ( 8.012 6.664 0.968) 10.466 4.022 ( 5.287 -9.425 1.585) 10.922 4.022 ( 5.287 9.425 1.585) 10.922 4.394 ( 7.971 -3.295 -9.623) 12.922 4.394 ( 7.971 3.295 -9.623) 12.922 4.665 ( 0.273 -6.100 3.195) 6.892 4.665 ( 0.273 6.100 3.195) 6.892 4.836 ( 0.057 -4.895 -2.161) 5.351 4.836 ( 0.057 4.895 -2.161) 5.351 5.516 ( 1.260 -5.326 1.304) 5.626 5.516 ( 1.260 5.326 1.304) 5.626 5.775 ( 5.928 -3.928 1.983) 7.383 5.775 ( 5.928 3.928 1.983) 7.383 6.239 ( -12.399 -5.000 -0.718) 13.389 6.239 ( -12.399 5.000 -0.718) 13.389 6.706 ( -4.578 -4.443 4.758) 7.959 6.706 ( -4.578 4.443 4.758) 7.959 7.077 ( -5.807 -5.034 -7.138) 10.489 7.077 ( -5.807 5.034 -7.138) 10.489 7.458 ( -3.479 -2.640 -1.744) 4.702 7.458 ( -3.479 2.640 -1.744) 4.702 8.059 ( -4.549 -10.572 0.028) 11.509 8.059 ( -4.549 10.572 0.028) 11.509 8.798 ( 9.333 -2.128 2.186) 9.819 8.798 ( 9.333 2.128 2.186) 9.819 8.929 ( 3.742 -5.610 1.584) 6.927 8.929 ( 3.742 5.610 1.584) 6.927 9.996 ( 7.666 -4.991 0.843) 9.186 9.996 ( 7.666 4.991 0.843) 9.186 10.219 ( -2.196 -3.342 -1.484) 4.265 10.219 ( -2.196 3.342 -1.484) 4.265 11.220 ( 0.926 -4.674 -1.825) 5.102 11.220 ( 0.926 4.674 -1.825) 5.102 11.589 ( -2.126 -5.109 1.321) 5.689 11.589 ( -2.126 5.109 1.321) 5.689 12.791 ( 0.751 -1.302 -2.488) 2.907 12.791 ( 0.751 1.302 -2.488) 2.907 13.072 ( 4.270 -2.674 0.643) 5.079 13.072 ( 4.270 2.674 0.643) 5.079 13.700 ( -5.243 -1.813 -4.878) 7.388 13.700 ( -5.243 1.813 -4.878) 7.388 14.267 ( 0.226 -7.608 -2.626) 8.051 14.267 ( 0.226 7.608 -2.626) 8.051 14.874 ( -9.139 -1.766 8.838) 12.835 14.874 ( -9.139 1.766 8.838) 12.835 15.688 ( 1.236 -5.999 0.665) 6.161 15.688 ( 1.236 5.999 0.665) 6.161 21.581 ( -1.983 -5.229 4.099) 6.934 21.581 ( -1.983 5.229 4.099) 6.934 21.846 ( -6.128 -2.372 -2.644) 7.083 21.846 ( -6.128 2.372 -2.644) 7.083 22.869 ( -7.533 -1.736 -1.224) 7.827 22.869 ( -7.533 1.736 -1.224) 7.827 23.288 ( 9.341 -1.930 0.159) 9.540 23.288 ( 9.341 1.930 0.159) 9.540 23.840 ( 6.786 -3.013 0.214) 7.428 23.840 ( 6.786 3.013 0.214) 7.428 24.462 ( -0.304 -3.075 -0.804) 3.193 24.462 ( -0.304 3.075 -0.804) 3.193 24.800 ( 10.636 -3.585 -0.210) 11.226 24.800 ( 10.636 3.585 -0.210) 11.226 25.446 ( -1.302 -2.880 0.267) 3.172 25.446 ( -1.302 2.880 0.267) 3.172 ======================= Grid point 193 (105/136) ======================= q-point: ( 0.27 -0.50 -0.67) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 132 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.600 ( 2.977 -12.209 -3.555) 13.060 1.600 ( 2.977 12.209 -3.555) 13.060 1.906 ( 6.739 -6.194 13.337) 16.176 1.906 ( 6.739 6.194 13.337) 16.176 2.437 ( 6.769 -11.309 0.765) 13.202 2.437 ( 6.769 11.309 0.765) 13.202 2.621 ( -1.753 -4.014 0.597) 4.420 2.621 ( -1.753 4.014 0.597) 4.420 3.145 ( 3.073 -7.810 8.285) 11.794 3.145 ( 3.073 7.810 8.285) 11.794 3.312 ( -5.717 -5.034 -4.815) 9.011 3.312 ( -5.717 5.034 -4.815) 9.011 3.641 ( 2.499 -3.076 0.504) 3.996 3.641 ( 2.499 3.076 0.504) 3.996 3.803 ( 1.177 -2.275 -4.869) 5.501 3.803 ( 1.177 2.275 -4.869) 5.501 4.233 ( 22.584 -8.086 2.085) 24.079 4.233 ( 22.584 8.086 2.085) 24.079 4.572 ( 14.443 -3.564 -1.662) 14.968 4.572 ( 14.443 3.564 -1.662) 14.968 4.715 ( 3.122 -3.725 -0.764) 4.921 4.715 ( 3.122 3.725 -0.764) 4.921 4.854 ( 5.011 -1.113 1.038) 5.237 4.854 ( 5.011 1.113 1.038) 5.237 5.515 ( -3.814 -5.473 -0.498) 6.689 5.515 ( -3.814 5.473 -0.498) 6.689 5.786 ( -7.915 -6.904 0.123) 10.504 5.786 ( -7.915 6.904 0.123) 10.504 6.064 ( -0.516 -4.288 -2.532) 5.006 6.064 ( -0.516 4.288 -2.532) 5.006 6.751 ( -0.732 -4.416 5.929) 7.429 6.751 ( -0.732 4.416 5.929) 7.429 6.895 ( -4.364 -8.240 -5.111) 10.633 6.895 ( -4.364 8.240 -5.111) 10.633 7.436 ( 1.207 -2.615 -0.108) 2.882 7.436 ( 1.207 2.615 -0.108) 2.882 7.955 ( -6.001 -12.044 -1.444) 13.534 7.955 ( -6.001 12.044 -1.444) 13.534 8.868 ( -4.186 -2.230 0.839) 4.816 8.868 ( -4.186 2.230 0.839) 4.816 9.051 ( 9.383 -1.850 0.824) 9.599 9.051 ( 9.383 1.850 0.824) 9.599 10.084 ( 1.891 -2.741 -2.416) 4.114 10.084 ( 1.891 2.741 -2.416) 4.114 10.184 ( 0.302 -2.768 -0.526) 2.833 10.184 ( 0.302 2.768 -0.526) 2.833 11.242 ( 3.884 -5.170 -1.139) 6.566 11.242 ( 3.884 5.170 -1.139) 6.566 11.589 ( 0.127 -6.224 1.881) 6.503 11.589 ( 0.127 6.224 1.881) 6.503 12.782 ( 0.335 -2.487 -1.234) 2.796 12.782 ( 0.335 2.487 -1.234) 2.796 13.136 ( 2.386 -2.979 -0.245) 3.825 13.136 ( 2.386 2.979 -0.245) 3.825 13.566 ( -5.163 -2.541 -2.729) 6.369 13.566 ( -5.163 2.541 -2.729) 6.369 14.220 ( -1.740 -9.021 -3.858) 9.965 14.220 ( -1.740 9.021 -3.858) 9.965 14.848 ( -4.667 -3.066 9.793) 11.273 14.848 ( -4.667 3.066 9.793) 11.273 15.683 ( -1.259 -6.175 -1.655) 6.516 15.683 ( -1.259 6.175 -1.655) 6.516 21.587 ( -1.192 -3.699 2.898) 4.848 21.587 ( -1.192 3.699 2.898) 4.848 21.723 ( -6.296 -3.067 -0.506) 7.021 21.723 ( -6.296 3.067 -0.506) 7.021 22.743 ( -4.915 -2.221 -1.694) 5.654 22.743 ( -4.915 2.221 -1.694) 5.654 23.485 ( 11.158 -2.530 1.728) 11.571 23.485 ( 11.158 2.530 1.728) 11.571 23.915 ( 1.533 -5.570 0.853) 5.839 23.915 ( 1.533 5.570 0.853) 5.839 24.443 ( -0.342 -3.701 -1.896) 4.173 24.443 ( -0.342 3.701 -1.896) 4.173 24.984 ( 9.765 -1.790 0.645) 9.949 24.984 ( 9.765 1.790 0.645) 9.949 25.428 ( 0.070 -5.080 -1.357) 5.259 25.428 ( 0.070 5.080 -1.357) 5.259 ======================= Grid point 195 (106/136) ======================= q-point: ( 0.36 -0.50 -0.67) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 132 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.637 ( 3.484 -10.432 -0.309) 11.003 1.637 ( 3.484 10.432 -0.309) 11.003 2.098 ( 0.104 -8.809 12.889) 15.612 2.098 ( 0.104 8.809 12.889) 15.612 2.540 ( 5.034 -3.586 -2.439) 6.645 2.540 ( 5.034 3.586 -2.439) 6.645 2.617 ( 1.892 -7.120 2.583) 7.807 2.617 ( 1.892 7.120 2.583) 7.807 3.090 ( -11.248 -3.764 -5.468) 13.060 3.090 ( -11.248 3.764 -5.468) 13.060 3.311 ( 5.442 -6.986 8.872) 12.535 3.311 ( 5.442 6.986 8.872) 12.535 3.648 ( -1.693 -5.783 -1.128) 6.130 3.648 ( -1.693 5.783 -1.128) 6.130 3.795 ( 1.963 -5.715 1.988) 6.361 3.795 ( 1.963 5.715 1.988) 6.361 4.590 ( 9.152 -2.729 -1.751) 9.709 4.590 ( 9.152 2.729 -1.751) 9.709 4.752 ( 2.646 -6.563 1.972) 7.346 4.752 ( 2.646 6.563 1.972) 7.346 4.818 ( 17.874 -2.782 -0.190) 18.090 4.818 ( 17.874 2.782 -0.190) 18.090 5.000 ( 6.921 -5.149 -0.051) 8.626 5.000 ( 6.921 5.149 -0.051) 8.626 5.359 ( -9.775 -5.731 0.770) 11.357 5.359 ( -9.775 5.731 0.770) 11.357 5.669 ( -1.258 -8.385 -2.708) 8.901 5.669 ( -1.258 8.385 -2.708) 8.901 6.091 ( 3.567 -1.413 -4.300) 5.763 6.091 ( 3.567 1.413 -4.300) 5.763 6.685 ( -5.270 -2.963 -2.842) 6.681 6.685 ( -5.270 2.963 -2.842) 6.681 6.911 ( 1.677 -6.951 5.558) 9.057 6.911 ( 1.677 6.951 5.558) 9.057 7.485 ( 2.068 -4.279 2.530) 5.384 7.485 ( 2.068 4.279 2.530) 5.384 7.863 ( 0.524 -8.294 -4.031) 9.236 7.863 ( 0.524 8.294 -4.031) 9.236 8.721 ( -12.320 -2.962 -0.875) 12.701 8.721 ( -12.320 2.962 -0.875) 12.701 9.208 ( 7.280 -1.447 0.891) 7.475 9.208 ( 7.280 1.447 0.891) 7.475 10.050 ( -0.935 -2.883 -3.692) 4.776 10.050 ( -0.935 2.883 -3.692) 4.776 10.181 ( -0.275 -1.317 -2.052) 2.454 10.181 ( -0.275 1.317 -2.052) 2.454 11.335 ( 6.429 -5.762 1.172) 8.712 11.335 ( 6.429 5.762 1.172) 8.712 11.617 ( 0.443 -6.200 1.928) 6.508 11.617 ( 0.443 6.200 1.928) 6.508 12.781 ( 0.459 -3.289 -0.163) 3.325 12.781 ( 0.459 3.289 -0.163) 3.325 13.137 ( -0.645 -2.701 -2.387) 3.662 13.137 ( -0.645 2.701 -2.387) 3.662 13.494 ( -1.918 -2.900 0.835) 3.576 13.494 ( -1.918 2.900 0.835) 3.576 14.144 ( -2.167 -7.877 -4.302) 9.233 14.144 ( -2.167 7.877 -4.302) 9.233 14.891 ( -1.946 -2.928 10.119) 10.713 14.891 ( -1.946 2.928 10.119) 10.713 15.621 ( -2.208 -5.019 -4.227) 6.923 15.621 ( -2.208 5.019 -4.227) 6.923 21.600 ( -0.158 -2.646 2.318) 3.521 21.600 ( -0.158 2.646 2.318) 3.521 21.622 ( -5.027 -4.563 0.028) 6.790 21.622 ( -5.027 4.563 0.028) 6.790 22.673 ( -1.859 -2.494 -0.662) 3.181 22.673 ( -1.859 2.494 -0.662) 3.181 23.676 ( 8.867 -2.608 0.872) 9.283 23.676 ( 8.867 2.608 0.872) 9.283 23.919 ( -1.916 -6.224 1.499) 6.683 23.919 ( -1.916 6.224 1.499) 6.683 24.418 ( -0.288 -3.380 -1.855) 3.866 24.418 ( -0.288 3.380 -1.855) 3.866 25.134 ( 6.403 -3.114 1.296) 7.237 25.134 ( 6.403 3.114 1.296) 7.237 25.422 ( 1.075 -6.281 -2.343) 6.789 25.422 ( 1.075 6.281 -2.343) 6.789 ======================= Grid point 197 (107/136) ======================= q-point: ( 0.45 -0.50 -0.67) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 132 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.714 ( 3.567 -5.616 3.176) 7.372 1.714 ( 3.567 5.616 3.176) 7.372 2.166 ( -4.253 -9.656 9.739) 14.359 2.166 ( -4.253 9.656 9.739) 14.359 2.557 ( -2.620 -2.943 -2.241) 4.533 2.557 ( -2.620 2.943 -2.241) 4.533 2.658 ( 1.887 -6.384 -3.397) 7.473 2.658 ( 1.887 6.384 -3.397) 7.473 2.952 ( 1.027 -1.521 2.103) 2.791 2.952 ( 1.027 1.521 2.103) 2.791 3.488 ( 4.385 -3.703 6.095) 8.372 3.488 ( 4.385 3.703 6.095) 8.372 3.608 ( -0.478 -7.230 -0.706) 7.280 3.608 ( -0.478 7.230 -0.706) 7.280 3.881 ( 2.571 -3.612 7.640) 8.833 3.881 ( 2.571 3.612 7.640) 8.833 4.546 ( -7.872 -4.897 -7.111) 11.684 4.546 ( -7.872 4.897 -7.111) 11.684 4.714 ( -2.769 -6.772 -3.043) 7.923 4.714 ( -2.769 6.772 -3.043) 7.923 5.039 ( 6.527 -2.978 3.039) 7.791 5.039 ( 6.527 2.978 3.039) 7.791 5.178 ( 7.141 -3.382 -0.202) 7.904 5.178 ( 7.141 3.382 -0.202) 7.904 5.340 ( 6.844 -3.591 4.688) 9.039 5.340 ( 6.844 3.591 4.688) 9.039 5.668 ( 0.098 -6.161 0.981) 6.240 5.668 ( 0.098 6.161 0.981) 6.240 6.047 ( -2.267 -5.174 -7.761) 9.599 6.047 ( -2.267 5.174 -7.761) 9.599 6.541 ( -6.826 -1.506 -4.113) 8.110 6.541 ( -6.826 1.506 -4.113) 8.110 7.029 ( 5.481 -8.247 6.523) 11.858 7.029 ( 5.481 8.247 6.523) 11.858 7.485 ( -3.539 -8.748 -0.124) 9.437 7.485 ( -3.539 8.748 -0.124) 9.437 7.976 ( 15.080 -2.835 -1.492) 15.417 7.976 ( 15.080 2.835 -1.492) 15.417 8.445 ( -17.104 -3.147 -2.377) 17.552 8.445 ( -17.104 3.147 -2.377) 17.552 9.310 ( 2.936 -1.618 1.562) 3.699 9.310 ( 2.936 1.618 1.562) 3.699 9.994 ( -0.836 -3.034 -4.214) 5.260 9.994 ( -0.836 3.034 -4.214) 5.260 10.143 ( -0.829 -1.790 -2.719) 3.360 10.143 ( -0.829 1.790 -2.719) 3.360 11.459 ( 5.240 -5.507 2.082) 7.881 11.459 ( 5.240 5.507 2.082) 7.881 11.629 ( -1.365 -5.048 1.917) 5.570 11.629 ( -1.365 5.048 1.917) 5.570 12.792 ( 0.517 -2.724 0.462) 2.811 12.792 ( 0.517 2.724 0.462) 2.811 13.092 ( -0.375 -1.102 -3.513) 3.701 13.092 ( -0.375 1.102 -3.513) 3.701 13.503 ( 0.478 -1.379 2.653) 3.028 13.503 ( 0.478 1.379 2.653) 3.028 14.071 ( -1.305 -5.626 -4.201) 7.142 14.071 ( -1.305 5.626 -4.201) 7.142 14.967 ( -0.928 -2.067 10.387) 10.631 14.967 ( -0.928 2.067 10.387) 10.631 15.536 ( -1.576 -3.862 -6.016) 7.320 15.536 ( -1.576 3.862 -6.016) 7.320 21.547 ( -4.781 -6.407 1.869) 8.210 21.547 ( -4.781 6.407 1.869) 8.210 21.634 ( 2.795 -1.518 0.205) 3.188 21.634 ( 2.795 1.518 0.205) 3.188 22.658 ( 0.199 -2.279 0.003) 2.288 22.658 ( 0.199 2.279 0.003) 2.288 23.768 ( 0.631 -1.269 -0.871) 1.664 23.768 ( 0.631 1.269 -0.871) 1.664 23.920 ( 1.413 -3.499 2.203) 4.370 23.920 ( 1.413 3.499 2.203) 4.370 24.398 ( -0.362 -2.230 -1.191) 2.554 24.398 ( -0.362 2.230 -1.191) 2.554 25.226 ( 2.453 -3.902 1.760) 4.934 25.226 ( 2.453 3.902 1.760) 4.934 25.411 ( 0.348 -6.335 -2.859) 6.959 25.411 ( 0.348 6.335 -2.859) 6.959 ======================= Grid point 199 (108/136) ======================= q-point: (-0.45 -0.50 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 132 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.774 ( -2.356 -4.368 3.183) 5.896 1.774 ( -2.356 4.368 3.183) 5.896 2.198 ( 1.682 -3.630 5.278) 6.622 2.198 ( 1.682 3.630 5.278) 6.622 2.395 ( -11.111 -5.865 1.686) 12.677 2.395 ( -11.111 5.865 1.686) 12.677 2.727 ( 6.948 -8.479 -1.957) 11.135 2.727 ( 6.948 8.479 -1.957) 11.135 3.035 ( 3.237 -2.549 0.244) 4.127 3.035 ( 3.237 2.549 0.244) 4.127 3.500 ( -2.958 -5.419 0.275) 6.180 3.500 ( -2.958 5.419 0.275) 6.180 3.659 ( 2.507 -3.723 1.441) 4.714 3.659 ( 2.507 3.723 1.441) 4.714 4.022 ( 0.368 -3.640 8.452) 9.210 4.022 ( 0.368 3.640 8.452) 9.210 4.346 ( -0.965 -4.203 -4.421) 6.176 4.346 ( -0.965 4.203 -4.421) 6.176 4.663 ( -3.435 -4.008 -0.475) 5.300 4.663 ( -3.435 4.008 -0.475) 5.300 5.067 ( -0.689 -4.637 -5.107) 6.933 5.067 ( -0.689 4.637 -5.107) 6.933 5.247 ( 2.492 -3.451 0.888) 4.348 5.247 ( 2.492 3.451 0.888) 4.348 5.506 ( -2.868 -3.445 3.382) 5.615 5.506 ( -2.868 3.445 3.382) 5.615 5.651 ( -3.214 -5.580 5.696) 8.597 5.651 ( -3.214 5.580 5.696) 8.597 5.880 ( -4.953 -5.372 -8.188) 10.974 5.880 ( -4.953 5.372 -8.188) 10.974 6.451 ( 1.418 -2.206 -1.266) 2.912 6.451 ( 1.418 2.206 -1.266) 2.912 7.191 ( 4.294 -6.160 4.215) 8.611 7.191 ( 4.294 6.160 4.215) 8.611 7.433 ( 2.455 -4.209 -2.996) 5.720 7.433 ( 2.455 4.209 -2.996) 5.720 8.091 ( -14.860 -2.897 -4.434) 15.775 8.091 ( -14.860 2.897 -4.434) 15.775 8.290 ( 14.272 -3.219 2.777) 14.892 8.290 ( 14.272 3.219 2.777) 14.892 9.323 ( -3.618 -1.386 1.533) 4.167 9.323 ( -3.618 1.386 1.533) 4.167 9.958 ( 1.685 -1.849 -3.718) 4.481 9.958 ( 1.685 1.849 -3.718) 4.481 10.110 ( -0.529 -1.729 -1.513) 2.358 10.110 ( -0.529 1.729 -1.513) 2.358 11.514 ( -1.288 -3.000 -0.121) 3.267 11.514 ( -1.288 3.000 -0.121) 3.267 11.622 ( -1.142 -3.791 2.777) 4.836 11.622 ( -1.142 3.791 2.777) 4.836 12.802 ( -0.015 -0.902 0.371) 0.975 12.802 ( -0.015 0.902 0.371) 0.975 13.073 ( 2.144 -1.613 -3.302) 4.255 13.073 ( 2.144 1.613 -3.302) 4.255 13.550 ( 2.107 -1.714 1.999) 3.372 13.550 ( 2.107 1.714 1.999) 3.372 14.023 ( 0.051 -3.268 -3.198) 4.573 14.023 ( 0.051 3.268 -3.198) 4.573 15.055 ( -0.808 -1.287 10.210) 10.323 15.055 ( -0.808 1.287 10.210) 10.323 15.459 ( -0.156 -3.447 -6.341) 7.219 15.459 ( -0.156 3.447 -6.341) 7.219 21.493 ( -3.696 -5.879 2.150) 7.270 21.493 ( -3.696 5.879 2.150) 7.270 21.703 ( 5.359 -4.104 -0.409) 6.762 21.703 ( 5.359 4.104 -0.409) 6.762 22.670 ( 1.060 -1.215 -0.423) 1.667 22.670 ( 1.060 1.215 -0.423) 1.667 23.720 ( -4.683 -3.461 0.844) 5.884 23.720 ( -4.683 3.461 0.844) 5.884 23.984 ( 3.629 -0.447 0.049) 3.657 23.984 ( 3.629 0.447 0.049) 3.657 24.379 ( -0.916 -0.265 -0.605) 1.129 24.379 ( -0.916 0.265 -0.605) 1.129 25.251 ( -1.684 -2.187 1.754) 3.271 25.251 ( -1.684 2.187 1.754) 3.271 25.376 ( -1.155 -4.850 -2.632) 5.638 25.376 ( -1.155 4.850 -2.632) 5.638 ======================= Grid point 201 (109/136) ======================= q-point: (-0.36 -0.50 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 132 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.688 ( -6.982 -8.444 -1.227) 11.025 1.688 ( -6.982 8.444 -1.227) 11.025 2.220 ( -10.092 -4.986 5.690) 12.613 2.220 ( -10.092 4.986 5.690) 12.613 2.355 ( 3.497 -3.259 7.126) 8.580 2.355 ( 3.497 3.259 7.126) 8.580 2.817 ( 6.133 -5.459 -3.784) 9.041 2.817 ( 6.133 5.459 -3.784) 9.041 3.035 ( -0.133 -3.534 -2.531) 4.349 3.035 ( -0.133 3.534 -2.531) 4.349 3.480 ( 0.502 -4.519 0.556) 4.581 3.480 ( 0.502 4.519 0.556) 4.581 3.679 ( -0.426 -4.218 -0.843) 4.323 3.679 ( -0.426 4.218 -0.843) 4.323 3.948 ( -8.161 -3.932 -2.000) 9.277 3.948 ( -8.161 3.932 -2.000) 9.277 4.443 ( -2.435 -3.738 4.464) 6.311 4.443 ( -2.435 3.738 4.464) 6.311 4.572 ( -4.629 -3.957 3.136) 6.850 4.572 ( -4.629 3.957 3.136) 6.850 4.990 ( -2.633 -4.123 -3.880) 6.244 4.990 ( -2.633 4.123 -3.880) 6.244 5.188 ( -9.946 -10.035 -4.173) 14.732 5.188 ( -9.946 10.035 -4.173) 14.732 5.366 ( -2.244 -1.737 -1.877) 3.402 5.366 ( -2.244 1.737 -1.877) 3.402 5.621 ( -4.414 -4.667 2.461) 6.879 5.621 ( -4.414 4.668 2.461) 6.879 5.835 ( 1.136 -3.710 0.424) 3.903 5.835 ( 1.136 3.710 0.424) 3.903 6.561 ( 7.984 -1.297 4.017) 9.031 6.561 ( 7.984 1.297 4.017) 9.031 7.192 ( -0.770 -4.283 -5.203) 6.783 7.192 ( -0.770 4.283 -5.203) 6.783 7.545 ( 5.735 -4.837 1.469) 7.645 7.545 ( 5.735 4.837 1.469) 7.645 7.827 ( -6.245 -1.442 -4.360) 7.752 7.827 ( -6.245 1.442 -4.360) 7.752 8.555 ( 10.320 -2.761 4.585) 11.625 8.555 ( 10.320 2.761 4.585) 11.625 9.222 ( -8.783 -1.353 0.909) 8.933 9.222 ( -8.783 1.353 0.909) 8.933 9.974 ( 2.370 -1.168 -1.793) 3.193 9.974 ( 2.370 1.168 -1.793) 3.193 10.102 ( 0.816 -0.535 0.032) 0.976 10.102 ( 0.816 0.535 0.032) 0.976 11.427 ( -6.529 -4.143 -1.664) 7.910 11.427 ( -6.529 4.143 -1.664) 7.910 11.633 ( -0.807 -6.912 1.795) 7.187 11.633 ( -0.807 6.912 1.795) 7.187 12.798 ( -0.398 -1.836 -0.331) 1.907 12.798 ( -0.398 1.836 -0.331) 1.907 13.095 ( 3.026 -3.366 -2.183) 5.026 13.095 ( 3.026 3.366 -2.183) 5.026 13.607 ( 3.697 -5.695 -0.953) 6.856 13.607 ( 3.697 5.695 -0.953) 6.856 14.017 ( 1.701 -3.593 -0.840) 4.063 14.017 ( 1.701 3.593 -0.840) 4.063 15.126 ( -1.241 -2.603 7.261) 7.813 15.126 ( -1.241 2.603 7.261) 7.813 15.422 ( 1.664 -3.484 -3.056) 4.924 15.422 ( 1.664 3.484 -3.056) 4.924 21.463 ( -2.440 -5.346 2.666) 6.453 21.463 ( -2.440 5.346 2.666) 6.453 21.810 ( 8.052 -7.167 -1.483) 10.882 21.810 ( 8.052 7.167 -1.483) 10.882 22.682 ( 1.291 -0.492 -1.185) 1.820 22.682 ( 1.291 0.492 -1.185) 1.820 23.638 ( -6.383 -3.795 1.757) 7.631 23.638 ( -6.383 3.795 1.757) 7.631 24.035 ( 3.073 -1.268 -1.421) 3.615 24.035 ( 3.073 1.268 -1.421) 3.615 24.351 ( -2.073 -2.746 0.018) 3.441 24.351 ( -2.073 2.746 0.018) 3.441 25.194 ( -6.023 -2.893 -0.021) 6.682 25.194 ( -6.023 2.893 -0.021) 6.682 25.332 ( -1.875 -3.013 -0.310) 3.562 25.332 ( -1.875 3.013 -0.310) 3.562 ======================= Grid point 203 (110/136) ======================= q-point: (-0.27 -0.50 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 132 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.554 ( -6.581 -9.568 -1.550) 11.716 1.554 ( -6.581 9.568 -1.550) 11.716 2.112 ( -11.070 -6.246 10.580) 16.538 2.112 ( -11.070 6.246 10.580) 16.538 2.398 ( -2.600 -3.981 -3.308) 5.792 2.398 ( -2.600 3.981 -3.308) 5.792 2.854 ( 2.456 -2.460 -4.395) 5.603 2.854 ( 2.456 2.460 -4.395) 5.603 3.066 ( 3.294 -6.168 3.414) 7.781 3.066 ( 3.294 6.168 3.414) 7.781 3.504 ( 2.020 -3.187 -1.729) 4.151 3.504 ( 2.020 3.187 -1.729) 4.151 3.639 ( -2.127 -4.309 -1.037) 4.917 3.639 ( -2.127 4.309 -1.037) 4.917 3.732 ( -15.463 -5.237 -2.914) 16.584 3.732 ( -15.463 5.237 -2.914) 16.584 4.232 ( -19.732 -8.620 5.461) 22.215 4.232 ( -19.732 8.620 5.461) 22.215 4.475 ( -9.508 -0.985 -4.557) 10.589 4.475 ( -9.508 0.985 -4.557) 10.589 4.910 ( -3.775 -2.865 -2.870) 5.540 4.910 ( -3.775 2.865 -2.870) 5.540 4.993 ( -4.214 -11.006 -6.329) 13.377 4.993 ( -4.214 11.006 -6.329) 13.377 5.403 ( 1.926 -5.614 5.079) 7.811 5.403 ( 1.926 5.614 5.079) 7.811 5.709 ( 13.244 -2.653 3.256) 13.894 5.709 ( 13.244 2.653 3.256) 13.894 5.838 ( -2.432 -4.739 1.898) 5.655 5.838 ( -2.432 4.739 1.898) 5.655 6.727 ( 6.218 -4.442 2.578) 8.064 6.727 ( 6.218 4.442 2.578) 8.064 7.130 ( 0.566 -3.884 -7.032) 8.053 7.130 ( 0.566 3.884 -7.032) 8.053 7.510 ( -3.301 -1.264 -3.479) 4.959 7.510 ( -3.301 1.264 -3.479) 4.959 7.887 ( 9.488 -7.845 0.887) 12.343 7.887 ( 9.488 7.845 0.887) 12.343 8.712 ( 1.988 -2.801 5.568) 6.542 8.712 ( 1.988 2.801 5.568) 6.542 9.062 ( -10.451 -1.486 1.115) 10.615 9.062 ( -10.451 1.486 1.115) 10.615 9.990 ( 0.760 -1.075 0.114) 1.321 9.990 ( 0.760 1.075 0.114) 1.321 10.133 ( 1.407 -0.677 0.852) 1.779 10.133 ( 1.407 0.677 0.852) 1.779 11.287 ( -6.701 -4.101 -2.360) 8.203 11.287 ( -6.701 4.101 -2.360) 8.203 11.631 ( -0.397 -8.284 0.577) 8.314 11.631 ( -0.397 8.284 0.577) 8.314 12.784 ( -0.420 -2.483 -1.053) 2.730 12.784 ( -0.420 2.483 -1.053) 2.730 13.118 ( 1.017 -4.738 -0.895) 4.928 13.118 ( 1.017 4.738 -0.895) 4.928 13.658 ( 5.555 -7.825 -4.490) 10.595 13.658 ( 5.555 7.825 -4.490) 10.595 14.064 ( 2.993 -5.189 1.724) 6.233 14.064 ( 2.993 5.189 1.724) 6.233 15.144 ( -1.249 -4.335 1.258) 4.683 15.144 ( -1.249 4.335 1.258) 4.683 15.465 ( 2.651 -4.890 3.622) 6.638 15.465 ( 2.651 4.890 3.622) 6.638 21.462 ( -1.240 -5.488 3.455) 6.602 21.462 ( -1.240 5.488 3.455) 6.602 21.949 ( 10.837 -9.784 -3.613) 15.041 21.949 ( 10.837 9.784 -3.613) 15.041 22.699 ( 2.251 -1.858 -0.679) 2.996 22.699 ( 2.251 1.858 -0.679) 2.996 23.524 ( -8.304 -2.867 0.360) 8.792 23.524 ( -8.304 2.867 0.360) 8.792 24.054 ( 0.958 -3.332 -3.376) 4.840 24.054 ( 0.958 3.332 -3.376) 4.840 24.313 ( -3.180 -3.692 2.221) 5.355 24.313 ( -3.180 3.692 2.221) 5.355 25.049 ( -9.578 -4.195 -1.437) 10.554 25.049 ( -9.578 4.195 -1.437) 10.554 25.313 ( -1.224 -5.546 2.140) 6.069 25.313 ( -1.224 5.546 2.140) 6.069 ======================= Grid point 205 (111/136) ======================= q-point: (-0.18 -0.50 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 132 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.432 ( -6.970 -14.009 0.040) 15.647 1.432 ( -6.970 14.009 0.040) 15.647 2.034 ( -11.917 -8.387 12.016) 18.887 2.034 ( -11.917 8.387 12.016) 18.887 2.230 ( -7.116 -3.495 -11.461) 13.936 2.230 ( -7.116 3.495 -11.461) 13.936 2.782 ( -6.204 -1.504 -4.473) 7.795 2.782 ( -6.204 1.504 -4.473) 7.795 3.133 ( -3.285 -12.612 5.460) 14.130 3.133 ( -3.285 12.612 5.460) 14.130 3.359 ( -17.012 -5.043 -4.552) 18.319 3.359 ( -17.012 5.043 -4.552) 18.319 3.500 ( -3.741 -4.970 -0.030) 6.220 3.500 ( -3.741 4.970 -0.030) 6.220 3.673 ( 5.104 -4.667 3.479) 7.742 3.673 ( 5.104 4.667 3.479) 7.742 3.957 ( -15.509 -10.509 2.730) 18.932 3.957 ( -15.509 10.509 2.730) 18.932 4.295 ( -2.284 -3.243 -7.281) 8.292 4.295 ( -2.284 3.243 -7.281) 8.292 4.794 ( -4.619 -1.472 -3.706) 6.102 4.794 ( -4.619 1.472 -3.706) 6.102 4.938 ( 2.350 -4.220 -3.415) 5.916 4.938 ( 2.350 4.220 -3.415) 5.916 5.482 ( 2.027 -9.719 2.791) 10.313 5.482 ( 2.027 9.719 2.791) 10.313 5.776 ( -6.284 -5.804 1.917) 8.767 5.776 ( -6.284 5.804 1.917) 8.767 6.053 ( 17.645 -4.164 5.267) 18.879 6.053 ( 17.645 4.164 5.267) 18.879 6.840 ( 5.483 -4.595 2.398) 7.545 6.840 ( 5.483 4.595 2.398) 7.545 7.042 ( -2.592 -4.521 -7.760) 9.348 7.042 ( -2.592 4.521 -7.760) 9.348 7.489 ( 4.922 -2.002 -3.395) 6.306 7.489 ( 4.922 2.002 -3.395) 6.306 8.044 ( 6.839 -7.074 0.797) 9.872 8.044 ( 6.839 7.074 0.797) 9.872 8.725 ( -6.345 -2.945 4.877) 8.527 8.725 ( -6.345 2.945 4.877) 8.527 8.901 ( -9.626 -2.008 2.405) 10.123 8.901 ( -9.626 2.008 2.405) 10.123 10.000 ( -0.886 -3.643 0.120) 3.751 10.000 ( -0.886 3.643 0.120) 3.751 10.153 ( 0.473 -3.738 1.297) 3.985 10.153 ( 0.473 3.738 1.297) 3.985 11.179 ( -3.126 -2.996 -1.155) 4.481 11.179 ( -3.126 2.996 -1.155) 4.481 11.641 ( 1.347 -8.758 -0.180) 8.863 11.641 ( 1.347 8.758 -0.180) 8.863 12.766 ( -0.105 -2.446 -1.580) 2.913 12.766 ( -0.105 2.446 -1.580) 2.913 13.103 ( -1.933 -5.321 -0.556) 5.689 13.103 ( -1.933 5.321 -0.556) 5.689 13.720 ( 7.494 -6.520 -5.646) 11.426 13.720 ( 7.494 6.520 -5.646) 11.426 14.139 ( 2.802 -4.857 2.591) 6.177 14.139 ( 2.802 4.857 2.591) 6.177 15.128 ( -0.541 -4.811 -0.442) 4.861 15.128 ( -0.541 4.811 -0.442) 4.861 15.552 ( 1.291 -7.455 5.523) 9.367 15.552 ( 1.291 7.455 5.523) 9.367 21.484 ( -0.605 -6.153 4.226) 7.489 21.484 ( -0.605 6.153 4.226) 7.489 22.098 ( 11.843 -9.949 -7.514) 17.196 22.098 ( 11.843 9.949 -7.514) 17.196 22.770 ( 6.174 -2.452 1.816) 6.886 22.770 ( 6.174 2.452 1.816) 6.886 23.359 ( -9.624 -1.790 -2.201) 10.034 23.359 ( -9.624 1.790 -2.201) 10.034 23.963 ( -7.215 -10.692 -4.947) 13.815 23.963 ( -7.215 10.692 -4.947) 13.815 24.309 ( -1.318 -3.421 5.101) 6.282 24.309 ( -1.318 3.421 5.101) 6.282 24.861 ( -9.497 -1.919 -1.800) 9.855 24.861 ( -9.497 1.919 -1.800) 9.855 25.334 ( 0.199 -6.732 3.811) 7.738 25.334 ( 0.199 6.732 3.811) 7.738 ======================= Grid point 207 (112/136) ======================= q-point: (-0.09 -0.50 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 132 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.297 ( -10.117 -15.999 1.912) 19.026 1.297 ( -10.117 15.999 1.912) 19.026 1.867 ( -16.911 -4.991 4.445) 18.184 1.867 ( -16.911 4.991 4.445) 18.184 2.030 ( -0.864 -3.976 -9.044) 9.917 2.030 ( -0.864 3.976 -9.044) 9.917 2.611 ( -9.046 -3.807 -0.916) 9.858 2.611 ( -9.046 3.807 -0.916) 9.858 2.937 ( -13.137 -6.741 -5.954) 15.921 2.937 ( -13.137 6.741 -5.954) 15.921 3.213 ( -4.401 -17.021 6.590) 18.775 3.213 ( -4.401 17.021 6.590) 18.775 3.467 ( -0.177 -11.356 0.707) 11.379 3.467 ( -0.177 11.356 0.707) 11.379 3.748 ( -0.563 -10.853 -3.698) 11.479 3.748 ( -0.563 10.853 -3.698) 11.479 3.856 ( -1.219 -2.297 9.373) 9.727 3.856 ( -1.219 2.297 9.373) 9.727 4.258 ( 5.916 -6.603 -7.430) 11.567 4.258 ( 5.916 6.603 -7.430) 11.567 4.706 ( -2.515 -2.652 -2.035) 4.184 4.706 ( -2.515 2.652 -2.035) 4.184 4.963 ( 2.993 -4.263 -2.826) 5.926 4.963 ( 2.993 4.263 -2.826) 5.926 5.499 ( -0.932 -9.508 -1.611) 9.688 5.499 ( -0.932 9.508 -1.611) 9.688 5.677 ( -5.618 -3.811 0.624) 6.818 5.677 ( -5.618 3.811 0.624) 6.818 6.338 ( 8.328 -3.987 3.992) 10.059 6.338 ( 8.328 3.987 3.992) 10.059 6.926 ( 2.366 -0.814 -2.942) 3.862 6.926 ( 2.366 0.814 -2.942) 3.862 7.000 ( 3.660 -6.907 4.185) 8.866 7.000 ( 3.660 6.907 4.185) 8.866 7.586 ( 9.790 -3.376 -3.952) 11.084 7.586 ( 9.790 3.376 -3.952) 11.084 8.110 ( -0.258 -3.000 -0.753) 3.103 8.110 ( -0.258 3.000 -0.753) 3.103 8.632 ( -6.109 -3.535 2.570) 7.512 8.632 ( -6.109 3.535 2.570) 7.512 8.783 ( -8.240 -3.269 4.698) 10.032 8.783 ( -8.240 3.269 4.698) 10.032 9.930 ( -4.765 -5.002 -2.746) 7.434 9.930 ( -4.765 5.002 -2.746) 7.434 10.201 ( 2.317 -3.652 2.494) 4.992 10.201 ( 2.317 3.652 2.494) 4.992 11.162 ( 0.859 -2.167 0.924) 2.508 11.162 ( 0.859 2.167 0.924) 2.508 11.666 ( 1.541 -7.578 -0.433) 7.745 11.666 ( 1.541 7.578 -0.433) 7.745 12.757 ( 1.344 -2.252 -2.048) 3.328 12.757 ( 1.344 2.252 -2.048) 3.328 13.049 ( -3.155 -4.396 -0.897) 5.485 13.049 ( -3.155 4.396 -0.897) 5.485 13.799 ( 7.267 -3.791 -5.228) 9.722 13.799 ( 7.267 3.791 -5.228) 9.722 14.201 ( 1.670 -2.973 2.062) 3.985 14.201 ( 1.670 2.973 2.062) 3.985 15.121 ( -1.340 -4.578 1.733) 5.075 15.121 ( -1.340 4.578 1.733) 5.075 15.595 ( -1.348 -7.567 3.278) 8.356 15.595 ( -1.348 7.567 3.278) 8.356 21.518 ( -0.686 -6.731 4.801) 8.296 21.518 ( -0.686 6.731 4.801) 8.296 22.173 ( 6.742 -7.717 -11.225) 15.198 22.173 ( 6.742 7.717 -11.225) 15.198 22.955 ( 10.770 -3.530 2.184) 11.542 22.955 ( 10.770 3.530 2.184) 11.542 23.185 ( -5.309 -1.232 -1.833) 5.750 23.185 ( -5.309 1.232 -1.833) 5.750 23.736 ( -13.723 -8.552 -2.330) 16.336 23.736 ( -13.723 8.552 -2.330) 16.336 24.352 ( 0.263 -3.380 5.117) 6.138 24.352 ( 0.263 3.380 5.117) 6.138 24.710 ( -5.321 -3.261 -2.541) 6.739 24.710 ( -5.321 3.261 -2.541) 6.739 25.387 ( 0.820 -6.033 4.640) 7.655 25.387 ( 0.820 6.033 4.640) 7.655 ======================= Grid point 231 (113/136) ======================= q-point: ( 0.00 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 68 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.324 ( -12.837 0.000 -17.587) 21.774 1.324 ( 12.837 0.000 17.587) 21.774 1.522 ( 5.975 0.000 -18.276) 19.227 1.522 ( -5.975 0.000 18.276) 19.227 1.959 ( -1.749 0.000 -2.320) 2.905 1.959 ( 1.749 0.000 2.320) 2.905 2.185 ( -5.377 0.000 1.659) 5.627 2.185 ( 5.377 0.000 -1.659) 5.627 2.802 ( -2.034 0.000 0.567) 2.112 2.802 ( 2.034 0.000 -0.567) 2.112 3.057 ( -7.577 0.000 -7.552) 10.698 3.057 ( 7.577 0.000 7.552) 10.698 3.257 ( 10.060 0.000 -7.996) 12.851 3.257 ( -10.060 0.000 7.996) 12.851 3.803 ( 0.120 0.000 -3.898) 3.900 3.803 ( -0.120 0.000 3.898) 3.900 4.251 ( -5.181 0.000 -3.535) 6.272 4.251 ( 5.181 0.000 3.535) 6.272 4.302 ( -1.158 0.000 -13.837) 13.885 4.302 ( 1.158 0.000 13.837) 13.885 4.573 ( -3.443 0.000 -2.654) 4.347 4.573 ( 3.443 0.000 2.654) 4.347 4.747 ( 2.103 0.000 -1.484) 2.574 4.747 ( -2.103 0.000 1.484) 2.574 5.708 ( -8.553 0.000 -9.515) 12.794 5.708 ( 8.553 0.000 9.515) 12.794 5.980 ( 0.927 0.000 -2.694) 2.849 5.980 ( -0.927 0.000 2.694) 2.849 6.450 ( -4.864 0.000 -5.947) 7.682 6.450 ( 4.864 0.000 5.947) 7.682 6.813 ( -10.238 0.000 -1.048) 10.292 6.813 ( 10.238 0.000 1.048) 10.292 7.261 ( -13.321 0.000 -6.579) 14.858 7.261 ( 13.321 0.000 6.579) 14.858 7.673 ( 3.198 0.000 -7.138) 7.822 7.673 ( -3.198 0.000 7.138) 7.822 7.930 ( 3.437 0.000 -3.615) 4.988 7.930 ( -3.437 0.000 3.615) 4.988 8.522 ( -9.003 0.000 0.802) 9.039 8.522 ( 9.003 0.000 -0.802) 9.039 8.889 ( -5.750 0.000 1.039) 5.843 8.889 ( 5.750 0.000 -1.039) 5.843 9.673 ( 0.057 0.000 -4.120) 4.121 9.673 ( -0.057 0.000 4.120) 4.121 10.249 ( -1.524 0.000 -2.362) 2.811 10.249 ( 1.524 0.000 2.362) 2.811 11.171 ( 3.962 0.000 -4.212) 5.783 11.171 ( -3.962 0.000 4.212) 5.783 11.773 ( -10.421 0.000 -2.654) 10.753 11.773 ( 10.421 0.000 2.654) 10.753 12.895 ( -2.515 0.000 0.510) 2.566 12.895 ( 2.515 0.000 -0.510) 2.566 13.138 ( 1.736 0.000 -8.384) 8.562 13.138 ( -1.736 0.000 8.384) 8.562 13.395 ( -3.539 0.000 -5.210) 6.298 13.395 ( 3.539 0.000 5.210) 6.298 14.135 ( -5.847 0.000 1.806) 6.120 14.135 ( 5.847 0.000 -1.806) 6.120 15.263 ( 7.885 0.000 -6.166) 10.009 15.263 ( -7.885 0.000 6.166) 10.009 15.686 ( -16.606 0.000 -5.558) 17.511 15.686 ( 16.606 0.000 5.558) 17.511 21.276 ( 3.838 0.000 -3.907) 5.477 21.276 ( -3.838 0.000 3.907) 5.477 22.106 ( -1.222 0.000 -7.850) 7.944 22.106 ( 1.222 0.000 7.850) 7.944 22.930 ( 3.167 0.000 -1.402) 3.463 22.930 ( -3.167 0.000 1.402) 3.463 23.392 ( -6.724 0.000 0.191) 6.726 23.392 ( 6.724 0.000 -0.191) 6.726 23.480 ( 2.666 0.000 -6.527) 7.050 23.480 ( -2.666 0.000 6.527) 7.050 24.401 ( -1.611 0.000 -3.657) 3.996 24.401 ( 1.611 0.000 3.657) 3.996 24.714 ( -2.158 0.000 0.252) 2.173 24.714 ( 2.158 0.000 -0.252) 2.173 25.602 ( -3.978 0.000 -2.917) 4.933 25.602 ( 3.978 0.000 2.917) 4.933 ======================= Grid point 233 (114/136) ======================= q-point: ( 0.09 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 132 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.002 ( -0.766 0.000 -23.960) 23.972 1.387 ( 8.419 0.000 -19.657) 21.384 1.667 ( 1.050 0.000 15.629) 15.665 1.865 ( 15.975 0.000 9.972) 18.832 2.063 ( 19.594 0.000 -8.231) 21.252 2.117 ( 21.506 0.000 -1.577) 21.564 2.253 ( 7.466 0.000 7.585) 10.644 2.339 ( 6.662 0.000 10.555) 12.481 2.800 ( 0.501 0.000 -2.593) 2.641 2.875 ( 6.773 0.000 -1.848) 7.020 2.925 ( 2.667 0.000 -6.061) 6.621 3.216 ( -5.766 0.000 12.616) 13.871 3.262 ( 7.153 0.000 8.299) 10.956 3.386 ( 10.454 0.000 -2.214) 10.686 3.775 ( -0.182 0.000 -3.992) 3.996 3.831 ( -1.449 0.000 3.247) 3.556 4.075 ( -7.207 0.000 -11.256) 13.365 4.131 ( -0.329 0.000 -9.124) 9.130 4.336 ( -0.142 0.000 5.000) 5.002 4.410 ( 4.105 0.000 2.947) 5.054 4.579 ( 4.490 0.000 -0.479) 4.516 4.682 ( 0.961 0.000 2.569) 2.743 4.776 ( 2.705 0.000 -1.599) 3.142 4.797 ( 6.076 0.000 8.266) 10.259 5.510 ( -5.024 0.000 -6.563) 8.265 5.913 ( -0.991 0.000 0.639) 1.179 5.948 ( -0.159 0.000 -5.747) 5.750 5.976 ( 1.621 0.000 7.201) 7.381 6.307 ( -5.899 0.000 -4.579) 7.468 6.480 ( -23.905 0.000 -1.445) 23.949 6.628 ( 6.985 0.000 7.782) 10.458 6.883 ( -1.276 0.000 -1.087) 1.676 6.930 ( -14.066 0.000 -8.180) 16.272 7.449 ( -11.423 0.000 7.183) 13.493 7.479 ( -9.211 0.000 -7.711) 12.013 7.514 ( -0.465 0.000 4.497) 4.521 7.950 ( -7.626 0.000 2.234) 7.947 8.083 ( 12.410 0.000 -4.090) 13.066 8.525 ( 10.158 0.000 1.162) 10.225 8.691 ( 10.938 0.000 -3.110) 11.372 8.881 ( 3.753 0.000 1.796) 4.160 8.995 ( 6.824 0.000 -2.131) 7.149 9.697 ( 5.910 0.000 -3.028) 6.640 9.781 ( 7.095 0.000 4.742) 8.534 10.189 ( -1.900 0.000 -3.906) 4.344 10.285 ( 0.359 0.000 1.270) 1.320 11.143 ( -3.635 0.000 4.086) 5.469 11.188 ( 2.244 0.000 -3.729) 4.352 11.555 ( -8.694 0.000 -5.978) 10.551 11.938 ( 6.966 0.000 -0.121) 6.967 12.862 ( -2.353 0.000 1.587) 2.838 12.930 ( 0.803 0.000 0.990) 1.274 13.066 ( -0.856 0.000 -8.116) 8.161 13.178 ( -2.753 0.000 8.222) 8.671 13.290 ( -2.061 0.000 -5.325) 5.710 13.502 ( 2.593 0.000 5.784) 6.339 14.055 ( -5.314 0.000 1.193) 5.447 14.224 ( 6.831 0.000 -2.720) 7.352 15.171 ( -9.781 0.000 5.315) 11.132 15.325 ( 6.050 0.000 -5.896) 8.448 15.390 ( -13.764 0.000 1.559) 13.852 15.995 ( 8.428 0.000 9.033) 12.354 21.257 ( -2.712 0.000 4.199) 4.999 21.308 ( 4.229 0.000 -4.087) 5.881 21.991 ( -3.801 0.000 -6.711) 7.712 22.184 ( -1.628 0.000 8.736) 8.887 22.952 ( 3.686 0.000 2.919) 4.702 22.968 ( -1.109 0.000 -3.321) 3.501 23.185 ( -2.508 0.000 -0.938) 2.678 23.192 ( -11.955 0.000 -4.619) 12.816 23.617 ( 8.912 0.000 -3.260) 9.490 23.827 ( 17.777 0.000 10.716) 20.757 24.319 ( -2.767 0.000 -5.214) 5.903 24.449 ( 0.926 0.000 2.218) 2.403 24.725 ( 2.150 0.000 2.506) 3.302 24.779 ( 4.724 0.000 0.438) 4.744 25.492 ( -3.409 0.000 -4.991) 6.044 25.669 ( 2.048 0.000 -0.048) 2.049 ======================= Grid point 234 (115/136) ======================= q-point: ( 0.18 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 132 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.819 ( 4.647 0.000 -17.575) 18.179 1.397 ( 15.297 0.000 -19.921) 25.117 1.844 ( 2.865 0.000 13.976) 14.266 2.046 ( 2.512 0.000 8.283) 8.656 2.346 ( 15.958 0.000 -1.984) 16.081 2.435 ( 11.416 0.000 -1.960) 11.583 2.610 ( 4.636 0.000 13.159) 13.952 2.632 ( 14.871 0.000 11.810) 18.991 2.785 ( 10.402 0.000 -9.878) 14.345 2.976 ( 6.753 0.000 -1.339) 6.884 3.025 ( 14.071 0.000 -4.428) 14.751 3.280 ( 7.130 0.000 2.809) 7.664 3.501 ( 1.362 0.000 -2.935) 3.236 3.536 ( 12.988 0.000 9.722) 16.223 3.665 ( -5.903 0.000 -4.434) 7.382 3.836 ( -0.222 0.000 5.726) 5.731 3.944 ( 4.616 0.000 -2.688) 5.341 4.162 ( 11.313 0.000 -6.192) 12.897 4.353 ( -2.627 0.000 4.226) 4.976 4.497 ( 3.801 0.000 -0.473) 3.831 4.680 ( 8.026 0.000 -3.661) 8.822 4.700 ( 1.389 0.000 -1.426) 1.991 4.812 ( 3.106 0.000 -0.034) 3.106 5.055 ( 10.633 0.000 12.497) 16.409 5.402 ( -1.810 0.000 -3.975) 4.367 5.698 ( -16.960 0.000 -7.227) 18.435 5.834 ( -6.348 0.000 -6.904) 9.378 5.929 ( -14.747 0.000 1.063) 14.786 6.181 ( -3.185 0.000 -3.963) 5.085 6.218 ( -1.250 0.000 3.412) 3.634 6.667 ( -7.885 0.000 -7.408) 10.819 6.767 ( -8.921 0.000 -4.330) 9.916 6.863 ( 5.122 0.000 11.739) 12.808 7.271 ( -11.757 0.000 10.411) 15.704 7.299 ( -1.537 0.000 -6.367) 6.550 7.616 ( 3.098 0.000 1.240) 3.337 7.761 ( -12.817 0.000 1.201) 12.873 8.232 ( 8.634 0.000 -3.318) 9.249 8.755 ( 12.107 0.000 -0.397) 12.114 8.808 ( 6.729 0.000 -5.132) 8.462 9.011 ( 7.453 0.000 2.562) 7.881 9.066 ( 2.426 0.000 0.710) 2.528 9.786 ( 6.649 0.000 -2.109) 6.975 9.968 ( 7.977 0.000 3.831) 8.850 10.111 ( -1.927 0.000 -4.774) 5.148 10.279 ( -1.883 0.000 -0.133) 1.888 11.138 ( -0.907 0.000 3.395) 3.514 11.163 ( -1.472 0.000 -2.831) 3.191 11.426 ( 1.660 0.000 -4.941) 5.213 12.008 ( 1.976 0.000 -0.866) 2.158 12.848 ( -1.229 0.000 1.863) 2.232 12.924 ( -2.597 0.000 0.557) 2.657 12.956 ( -2.949 0.000 -7.147) 7.732 13.211 ( -2.373 0.000 7.423) 7.793 13.243 ( 2.299 0.000 -4.175) 4.766 13.600 ( 1.463 0.000 7.579) 7.719 13.970 ( -5.346 0.000 0.028) 5.346 14.304 ( 6.343 0.000 -5.236) 8.225 15.031 ( -10.548 0.000 4.585) 11.502 15.265 ( -7.404 0.000 8.081) 10.960 15.353 ( 3.870 0.000 -5.958) 7.105 16.083 ( -5.480 0.000 3.095) 6.294 21.266 ( -1.404 0.000 4.824) 5.024 21.340 ( 4.353 0.000 -4.418) 6.202 21.850 ( -4.828 0.000 -6.186) 7.846 22.216 ( -4.572 0.000 8.607) 9.746 22.815 ( -8.314 0.000 -3.619) 9.068 22.940 ( -8.328 0.000 -2.157) 8.603 23.157 ( 11.600 0.000 3.725) 12.183 23.298 ( 11.028 0.000 -0.045) 11.028 23.708 ( 5.770 0.000 -3.392) 6.693 24.144 ( 2.789 0.000 2.798) 3.951 24.233 ( 3.055 0.000 -1.645) 3.470 24.482 ( 1.248 0.000 0.763) 1.463 24.840 ( 5.461 0.000 6.477) 8.472 24.868 ( 4.756 0.000 0.612) 4.795 25.427 ( 1.086 0.000 -2.330) 2.571 25.675 ( 0.308 0.000 -2.571) 2.589 ======================= Grid point 235 (116/136) ======================= q-point: ( 0.27 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 132 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.887 ( 13.813 0.000 -0.598) 13.826 1.516 ( 18.297 0.000 -16.140) 24.398 2.030 ( 2.019 0.000 13.992) 14.137 2.171 ( 2.424 0.000 7.706) 8.079 2.567 ( 6.964 0.000 -3.179) 7.655 2.569 ( 9.477 0.000 1.613) 9.614 2.603 ( -4.820 0.000 0.333) 4.831 2.771 ( -4.896 0.000 8.874) 10.135 2.947 ( 4.318 0.000 2.485) 4.982 2.967 ( -5.467 0.000 0.083) 5.468 3.286 ( 14.631 0.000 -1.923) 14.757 3.419 ( -1.938 0.000 -4.274) 4.693 3.572 ( 7.458 0.000 -0.220) 7.461 3.622 ( 8.087 0.000 -2.706) 8.528 3.728 ( 12.512 0.000 7.279) 14.475 4.083 ( 15.159 0.000 7.661) 16.985 4.148 ( 15.791 0.000 -0.863) 15.815 4.330 ( -3.581 0.000 1.606) 3.925 4.335 ( 13.627 0.000 -1.998) 13.773 4.538 ( 3.584 0.000 -3.322) 4.887 4.692 ( -0.899 0.000 -6.914) 6.973 4.707 ( 2.990 0.000 -2.851) 4.131 4.898 ( 2.788 0.000 2.967) 4.071 5.314 ( 3.618 0.000 -0.553) 3.660 5.366 ( -10.672 0.000 -0.825) 10.704 5.396 ( 4.527 0.000 6.299) 7.757 5.644 ( -7.754 0.000 0.148) 7.755 5.812 ( -0.820 0.000 2.436) 2.571 6.118 ( 1.037 0.000 -5.262) 5.364 6.207 ( -2.824 0.000 -4.598) 5.396 6.478 ( -5.493 0.000 -6.451) 8.473 6.509 ( -13.519 0.000 -6.583) 15.036 6.947 ( -4.823 0.000 8.756) 9.997 7.282 ( -0.977 0.000 13.049) 13.086 7.381 ( 13.160 0.000 -0.515) 13.170 7.569 ( -6.530 0.000 -2.804) 7.107 7.653 ( -1.297 0.000 1.565) 2.032 8.281 ( -0.225 0.000 -3.450) 3.457 8.805 ( -0.547 0.000 -6.855) 6.877 8.842 ( -2.198 0.000 -1.801) 2.841 9.128 ( 3.619 0.000 3.639) 5.132 9.167 ( 8.624 0.000 0.687) 8.651 9.861 ( 4.126 0.000 -2.799) 4.986 10.058 ( 0.652 0.000 -2.323) 2.413 10.075 ( 1.518 0.000 0.098) 1.522 10.223 ( -3.082 0.000 -1.532) 3.442 11.132 ( 1.007 0.000 -0.282) 1.045 11.176 ( 1.738 0.000 2.447) 3.002 11.498 ( 7.776 0.000 -0.208) 7.779 12.001 ( -1.659 0.000 -0.492) 1.731 12.838 ( -3.066 0.000 -4.060) 5.087 12.863 ( 0.698 0.000 0.964) 1.190 12.864 ( -3.493 0.000 -1.172) 3.685 13.223 ( -1.961 0.000 2.776) 3.399 13.287 ( 3.903 0.000 0.785) 3.981 13.698 ( -0.942 0.000 10.574) 10.616 13.877 ( -3.591 0.000 -2.235) 4.230 14.316 ( 2.563 0.000 -8.803) 9.169 14.949 ( -5.310 0.000 7.878) 9.500 15.254 ( -4.676 0.000 10.071) 11.103 15.344 ( 2.002 0.000 -6.208) 6.523 15.910 ( -10.402 0.000 -6.667) 12.355 21.299 ( -0.728 0.000 5.434) 5.482 21.372 ( 4.498 0.000 -4.658) 6.476 21.731 ( -2.434 0.000 -4.131) 4.794 22.187 ( -7.572 0.000 6.616) 10.055 22.666 ( -5.165 0.000 -2.276) 5.644 22.815 ( -3.922 0.000 -2.039) 4.421 23.441 ( 12.446 0.000 9.018) 15.369 23.488 ( 10.487 0.000 -1.102) 10.545 23.771 ( 5.146 0.000 -1.528) 5.368 24.032 ( -5.360 0.000 -6.104) 8.124 24.340 ( 3.705 0.000 -0.230) 3.712 24.498 ( 0.561 0.000 -1.234) 1.355 24.954 ( 4.234 0.000 1.194) 4.399 24.977 ( 3.427 0.000 3.936) 5.219 25.491 ( 3.424 0.000 5.187) 6.215 25.641 ( 0.022 0.000 -4.372) 4.372 ======================= Grid point 236 (117/136) ======================= q-point: ( 0.36 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 132 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.227 ( 18.359 0.000 9.429) 20.639 1.695 ( 17.570 0.000 -11.144) 20.806 2.151 ( -3.017 0.000 11.270) 11.667 2.215 ( -5.292 0.000 1.807) 5.592 2.477 ( -4.373 0.000 -4.482) 6.262 2.624 ( 2.753 0.000 -1.647) 3.208 2.740 ( -3.430 0.000 3.159) 4.663 2.754 ( 5.052 0.000 7.123) 8.733 2.901 ( -0.470 0.000 -0.939) 1.050 2.965 ( -3.631 0.000 3.289) 4.899 3.410 ( 1.915 0.000 0.518) 1.984 3.479 ( 10.512 0.000 1.816) 10.668 3.511 ( -6.308 0.000 -0.239) 6.312 3.820 ( 13.769 0.000 -1.492) 13.850 4.069 ( 4.295 0.000 13.351) 14.025 4.198 ( -3.900 0.000 -0.958) 4.016 4.316 ( 7.840 0.000 -4.992) 9.295 4.342 ( 3.919 0.000 1.803) 4.314 4.448 ( -6.439 0.000 -0.409) 6.452 4.525 ( 1.056 0.000 -9.361) 9.421 4.764 ( 19.058 0.000 -0.387) 19.062 4.839 ( 14.037 0.000 -0.228) 14.039 4.952 ( 4.653 0.000 0.438) 4.674 5.256 ( -3.280 0.000 -5.038) 6.012 5.346 ( 3.347 0.000 3.919) 5.154 5.363 ( -8.358 0.000 0.847) 8.401 5.762 ( 5.174 0.000 10.789) 11.966 5.877 ( 2.429 0.000 3.979) 4.662 5.980 ( -10.726 0.000 -14.454) 17.999 6.108 ( 1.761 0.000 -5.579) 5.850 6.255 ( -5.119 0.000 -4.231) 6.641 6.410 ( -0.272 0.000 0.756) 0.804 6.968 ( -2.338 0.000 9.866) 10.139 7.362 ( -3.344 0.000 0.036) 3.344 7.494 ( -0.410 0.000 3.171) 3.198 7.650 ( 17.959 0.000 -1.583) 18.028 7.703 ( 7.078 0.000 5.543) 8.990 8.148 ( -8.798 0.000 -6.145) 10.732 8.653 ( -7.991 0.000 -9.037) 12.063 8.677 ( -14.721 0.000 0.598) 14.734 9.249 ( 5.429 0.000 3.718) 6.580 9.310 ( 7.615 0.000 -0.748) 7.651 9.870 ( 1.109 0.000 -3.170) 3.358 10.031 ( -3.632 0.000 -3.547) 5.077 10.083 ( 2.453 0.000 -0.027) 2.453 10.165 ( -2.162 0.000 -0.487) 2.216 11.188 ( 3.594 0.000 1.996) 4.111 11.235 ( 2.458 0.000 1.603) 2.934 11.640 ( 7.331 0.000 1.346) 7.453 11.950 ( -3.738 0.000 -0.220) 3.744 12.761 ( -1.968 0.000 -1.866) 2.712 12.795 ( -2.476 0.000 -1.842) 3.086 12.916 ( 3.469 0.000 1.734) 3.878 13.193 ( -3.833 0.000 1.251) 4.033 13.374 ( 5.107 0.000 0.874) 5.182 13.703 ( -8.336 0.000 5.812) 10.162 13.874 ( 3.551 0.000 2.764) 4.500 14.231 ( -1.150 0.000 -9.696) 9.764 14.993 ( 0.056 0.000 9.102) 9.102 15.289 ( -3.217 0.000 10.857) 11.323 15.303 ( 0.263 0.000 -6.450) 6.456 15.660 ( -7.127 0.000 -11.646) 13.654 21.340 ( -0.982 0.000 5.749) 5.832 21.396 ( 3.679 0.000 -5.422) 6.553 21.704 ( 2.064 0.000 -0.521) 2.129 22.082 ( -9.442 0.000 2.410) 9.744 22.604 ( -1.364 0.000 1.006) 1.695 22.746 ( -2.175 0.000 -2.323) 3.182 23.607 ( 6.344 0.000 -3.963) 7.480 23.699 ( 3.370 0.000 10.148) 10.693 23.877 ( 6.481 0.000 2.366) 6.900 23.919 ( 0.963 0.000 -4.283) 4.390 24.358 ( 1.011 0.000 -3.255) 3.409 24.469 ( -1.628 0.000 -3.021) 3.432 25.034 ( 3.133 0.000 1.720) 3.574 25.045 ( 2.553 0.000 0.454) 2.593 25.586 ( -0.370 0.000 6.985) 6.994 25.603 ( 1.476 0.000 -5.267) 5.470 ======================= Grid point 237 (118/136) ======================= q-point: ( 0.45 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 132 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.638 ( 16.840 0.000 10.295) 19.738 1.879 ( 11.104 0.000 -8.193) 13.799 2.032 ( -9.737 0.000 -3.668) 10.405 2.110 ( -10.662 0.000 4.447) 11.553 2.440 ( 2.468 0.000 2.598) 3.583 2.560 ( -6.019 0.000 -3.136) 6.787 2.809 ( 6.769 0.000 0.425) 6.782 2.866 ( -1.209 0.000 7.105) 7.207 2.911 ( 2.253 0.000 -2.409) 3.298 2.925 ( -2.519 0.000 0.318) 2.539 3.425 ( -0.785 0.000 -0.178) 0.805 3.426 ( -2.476 0.000 0.025) 2.476 3.710 ( 12.740 0.000 3.671) 13.258 3.963 ( -13.170 0.000 -0.842) 13.197 4.030 ( 11.542 0.000 -0.701) 11.564 4.186 ( -5.445 0.000 0.326) 5.455 4.351 ( -0.181 0.000 0.221) 0.286 4.373 ( -2.826 0.000 1.493) 3.196 4.409 ( 2.513 0.000 2.785) 3.751 4.474 ( 0.882 0.000 -3.995) 4.091 4.951 ( 4.103 0.000 1.757) 4.464 4.996 ( 1.263 0.000 -0.416) 1.330 5.132 ( 11.444 0.000 -4.332) 12.237 5.222 ( -3.366 0.000 -0.641) 3.426 5.294 ( 6.730 0.000 5.322) 8.580 5.462 ( 6.467 0.000 -6.418) 9.111 5.667 ( -6.839 0.000 -7.295) 10.000 5.756 ( -12.877 0.000 5.470) 13.990 5.965 ( 1.564 0.000 7.878) 8.032 6.058 ( 0.685 0.000 -7.115) 7.148 6.313 ( 8.297 0.000 -0.543) 8.315 6.407 ( -2.987 0.000 1.476) 3.332 7.065 ( 1.474 0.000 11.408) 11.503 7.225 ( -3.970 0.000 -10.500) 11.225 7.581 ( 5.319 0.000 7.567) 9.250 7.798 ( -5.442 0.000 -9.062) 10.571 7.993 ( 13.921 0.000 10.544) 17.463 8.051 ( 13.554 0.000 -2.090) 13.714 8.373 ( -12.135 0.000 -10.790) 16.238 8.388 ( -19.244 0.000 2.390) 19.392 9.365 ( 2.913 0.000 3.848) 4.827 9.395 ( 3.190 0.000 -2.202) 3.876 9.866 ( 1.050 0.000 -0.193) 1.067 9.923 ( -3.767 0.000 -3.372) 5.056 10.117 ( 1.857 0.000 -0.722) 1.992 10.137 ( -1.555 0.000 0.820) 1.758 11.261 ( 2.073 0.000 1.488) 2.551 11.276 ( 0.858 0.000 0.296) 0.907 11.767 ( 6.171 0.000 0.816) 6.225 11.870 ( -5.187 0.000 -0.363) 5.199 12.734 ( -0.487 0.000 0.363) 0.608 12.748 ( -0.990 0.000 -1.545) 1.835 13.010 ( 5.411 0.000 1.442) 5.600 13.116 ( -5.491 0.000 -0.292) 5.499 13.478 ( 6.394 0.000 0.030) 6.394 13.593 ( -7.692 0.000 1.477) 7.833 13.985 ( 3.057 0.000 7.009) 7.647 14.109 ( -2.407 0.000 -8.653) 8.982 15.105 ( 2.453 0.000 8.429) 8.779 15.223 ( -1.951 0.000 -7.125) 7.388 15.354 ( -1.823 0.000 11.541) 11.684 15.464 ( -1.659 0.000 -12.441) 12.551 21.373 ( -1.740 0.000 5.814) 6.068 21.393 ( 2.539 0.000 -5.823) 6.352 21.784 ( 6.247 0.000 1.448) 6.412 21.928 ( -8.772 0.000 -0.753) 8.804 22.625 ( 0.877 0.000 3.367) 3.479 22.684 ( -1.743 0.000 -3.451) 3.866 23.657 ( 5.069 0.000 -4.641) 6.872 23.707 ( -5.734 0.000 4.287) 7.159 24.002 ( 3.719 0.000 2.779) 4.643 24.006 ( 4.628 0.000 1.477) 4.859 24.340 ( 1.212 0.000 -1.935) 2.283 24.392 ( -3.402 0.000 -2.799) 4.406 25.081 ( 1.785 0.000 -0.787) 1.951 25.083 ( 0.524 0.000 1.495) 1.584 25.596 ( 3.653 0.000 -5.402) 6.521 25.610 ( -3.626 0.000 5.844) 6.878 ======================= Grid point 243 (119/136) ======================= q-point: ( 0.00 0.17 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 102 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.257 ( -8.184 -3.184 -20.221) 22.046 1.257 ( 8.184 -3.184 20.221) 22.046 1.636 ( 0.184 7.593 -14.508) 16.376 1.636 ( -0.184 7.593 14.508) 16.376 1.906 ( 0.897 -4.777 -3.086) 5.757 1.906 ( -0.897 -4.777 3.086) 5.757 2.295 ( -1.129 9.875 -4.756) 11.018 2.295 ( 1.129 9.875 4.756) 11.018 2.781 ( -1.173 -2.181 -1.827) 3.077 2.781 ( 1.173 -2.181 1.827) 3.077 3.010 ( -2.615 -1.478 -5.971) 6.684 3.010 ( 2.615 -1.478 5.971) 6.684 3.329 ( 3.584 5.925 -3.891) 7.943 3.329 ( -3.584 5.925 3.891) 7.943 3.854 ( 3.963 3.564 -3.637) 6.453 3.854 ( -3.963 3.564 3.637) 6.453 4.145 ( -2.487 -8.316 -2.692) 9.088 4.145 ( 2.487 -8.316 2.692) 9.088 4.325 ( 6.523 -0.164 -10.722) 12.551 4.325 ( -6.523 -0.164 10.722) 12.551 4.594 ( -6.345 2.294 -4.370) 8.039 4.594 ( 6.345 2.294 4.370) 8.039 4.770 ( 1.625 2.361 -3.511) 4.532 4.770 ( -1.625 2.361 3.511) 4.532 5.670 ( -8.011 -3.940 -7.325) 11.548 5.670 ( 8.011 -3.940 7.325) 11.548 5.854 ( -2.057 -10.580 -2.607) 11.089 5.854 ( 2.057 -10.580 2.607) 11.089 6.446 ( -5.154 -0.783 -3.650) 6.364 6.446 ( 5.154 -0.783 3.650) 6.364 6.859 ( -9.670 4.339 -2.437) 10.876 6.859 ( 9.670 4.339 2.437) 10.876 7.222 ( -9.912 -3.459 -5.204) 11.717 7.222 ( 9.912 -3.459 5.204) 11.717 7.668 ( 2.747 -0.408 -6.522) 7.089 7.668 ( -2.747 -0.408 6.522) 7.089 7.964 ( 1.759 2.768 -2.232) 3.967 7.964 ( -1.759 2.768 2.232) 3.967 8.535 ( -7.821 1.462 0.544) 7.975 8.535 ( 7.821 1.462 -0.544) 7.975 8.876 ( -5.951 -1.405 0.400) 6.128 8.876 ( 5.951 -1.405 -0.400) 6.128 9.714 ( -1.588 3.549 -3.423) 5.181 9.714 ( 1.588 3.549 3.423) 5.181 10.252 ( -1.685 0.352 -1.759) 2.461 10.252 ( 1.685 0.352 1.759) 2.461 11.178 ( 3.212 0.750 -3.998) 5.183 11.178 ( -3.212 0.750 3.998) 5.183 11.751 ( -7.211 -2.125 -4.133) 8.579 11.751 ( 7.211 -2.125 4.133) 8.579 12.843 ( 3.781 -4.331 -2.831) 6.409 12.843 ( -3.781 -4.331 2.831) 6.409 13.070 ( -2.279 -4.002 -5.314) 7.032 13.070 ( 2.279 -4.002 5.314) 7.032 13.540 ( -0.568 10.524 -4.675) 11.530 13.540 ( 0.568 10.524 4.675) 11.530 14.162 ( -3.236 2.515 0.086) 4.099 14.162 ( 3.236 2.515 -0.086) 4.099 15.237 ( 4.898 -2.528 -5.697) 7.927 15.237 ( -4.898 -2.528 5.697) 7.927 15.664 ( -13.229 -1.914 -4.880) 14.230 15.664 ( 13.229 -1.914 4.880) 14.230 21.357 ( 3.136 7.536 -5.432) 9.804 21.357 ( -3.136 7.536 5.432) 9.804 22.084 ( -0.933 -2.164 -7.893) 8.238 22.084 ( 0.933 -2.164 7.893) 8.238 22.940 ( 0.083 0.969 -0.712) 1.205 22.940 ( -0.083 0.969 0.712) 1.205 23.375 ( -4.119 -1.568 0.227) 4.413 23.375 ( 4.119 -1.568 -0.227) 4.413 23.485 ( 0.484 0.509 -5.999) 6.040 23.485 ( -0.484 0.509 5.999) 6.040 24.411 ( -1.369 1.105 -3.607) 4.013 24.411 ( 1.369 1.105 3.607) 4.013 24.690 ( -1.311 -2.383 -1.853) 3.291 24.690 ( 1.311 -2.383 1.853) 3.291 25.568 ( -3.427 -2.971 -3.403) 5.670 25.568 ( 3.427 -2.971 3.403) 5.670 ======================= Grid point 245 (120/136) ======================= q-point: ( 0.09 0.17 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 198 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.006 ( 2.868 2.876 -22.564) 22.927 1.507 ( 6.606 6.921 -9.966) 13.815 1.632 ( 6.396 0.089 9.725) 11.640 1.825 ( 8.406 -2.583 7.912) 11.830 2.057 ( 12.789 -7.871 5.577) 16.019 2.152 ( 24.831 1.172 -0.081) 24.859 2.299 ( 8.663 12.503 -2.402) 15.400 2.415 ( 7.436 5.820 5.370) 10.863 2.775 ( 2.148 -2.664 -3.126) 4.635 2.808 ( 4.227 -0.942 -4.509) 6.252 3.018 ( 5.065 5.847 3.319) 8.418 3.191 ( 9.018 -5.041 4.750) 11.370 3.264 ( -4.020 4.503 9.146) 10.958 3.461 ( 8.675 5.522 -0.015) 10.283 3.801 ( -3.453 2.126 2.706) 4.875 3.885 ( -0.939 4.562 -4.605) 6.549 4.031 ( -2.136 -8.987 -5.024) 10.515 4.095 ( -3.378 0.489 -9.780) 10.359 4.316 ( -1.372 -2.095 3.502) 4.306 4.364 ( 3.280 -5.064 -0.167) 6.036 4.560 ( 4.451 -1.113 1.465) 4.816 4.707 ( 0.526 2.492 -0.745) 2.654 4.800 ( 3.368 2.231 0.541) 4.076 4.825 ( 4.472 2.342 8.279) 9.696 5.494 ( -4.952 -1.669 -5.350) 7.479 5.739 ( -4.898 -12.085 -3.743) 13.567 5.879 ( 4.668 -5.732 4.079) 8.443 5.945 ( 5.284 -6.052 1.407) 8.156 6.307 ( -7.961 0.756 -3.196) 8.612 6.515 ( -13.467 -0.363 -0.505) 13.481 6.633 ( -0.542 2.672 3.662) 4.565 6.870 ( -8.758 1.850 -2.321) 9.248 7.000 ( -6.376 3.668 -4.740) 8.750 7.373 ( 0.817 -8.224 -0.121) 8.266 7.478 ( -14.458 2.113 4.986) 15.439 7.526 ( -5.931 0.566 -3.206) 6.766 7.961 ( -6.820 1.404 2.752) 7.487 8.136 ( 11.057 3.514 -2.985) 11.980 8.535 ( 9.335 1.256 0.931) 9.465 8.689 ( 10.001 0.102 -2.578) 10.329 8.849 ( 2.930 -2.652 1.362) 4.180 8.992 ( 6.791 -0.910 -1.661) 7.050 9.714 ( 4.978 2.420 -0.559) 5.563 9.848 ( 8.225 5.109 2.242) 9.939 10.186 ( -2.924 -0.258 -2.714) 3.997 10.284 ( 0.260 -0.047 0.529) 0.591 11.139 ( -3.405 0.108 1.778) 3.843 11.202 ( 2.223 1.014 -2.276) 3.339 11.560 ( -7.763 0.510 -5.214) 9.365 11.890 ( 4.697 -4.686 1.425) 6.786 12.821 ( -1.573 -3.071 2.026) 4.001 12.885 ( 4.088 -6.336 -4.000) 8.535 12.976 ( -3.226 -1.660 -2.343) 4.319 13.152 ( 0.698 -2.458 5.987) 6.510 13.465 ( -2.710 11.353 -4.829) 12.631 13.583 ( -0.746 7.064 5.177) 8.789 14.081 ( -4.990 2.595 0.390) 5.638 14.245 ( 5.988 1.842 -2.253) 6.658 15.146 ( -8.861 -2.327 3.427) 9.781 15.256 ( -2.705 -4.776 1.069) 5.592 15.453 ( -4.618 4.168 -2.819) 6.830 15.925 ( 7.917 -6.415 6.338) 12.000 21.357 ( -0.706 7.779 2.128) 8.096 21.367 ( 0.952 6.892 -0.592) 6.983 21.973 ( -3.860 -1.806 -6.451) 7.732 22.157 ( -2.154 -2.748 8.937) 9.595 22.932 ( -1.219 -0.526 -0.731) 1.516 23.006 ( 2.517 2.017 1.039) 3.389 23.175 ( -7.913 -0.837 -2.997) 8.503 23.193 ( -4.994 0.148 -2.569) 5.618 23.614 ( 8.986 -0.064 -3.021) 9.481 23.815 ( 17.030 -1.372 9.492) 19.545 24.339 ( -2.126 1.911 -4.806) 5.592 24.460 ( 1.193 1.163 1.963) 2.575 24.686 ( 2.481 -3.475 0.906) 4.365 24.772 ( 5.195 -1.117 1.234) 5.455 25.462 ( -3.144 -2.358 -5.590) 6.833 25.632 ( 1.651 -3.618 0.447) 4.002 ======================= Grid point 246 (121/136) ======================= q-point: ( 0.18 0.17 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 198 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.900 ( 6.706 8.727 -14.565) 18.256 1.503 ( 9.263 8.787 -15.147) 19.810 1.840 ( 5.947 0.743 11.904) 13.328 2.053 ( 5.839 -0.154 10.687) 12.179 2.289 ( 6.912 -11.216 3.270) 13.574 2.429 ( 14.724 6.204 -0.699) 15.993 2.593 ( 12.482 1.732 5.033) 13.569 2.727 ( -2.038 0.692 1.086) 2.411 2.814 ( 26.779 3.425 -1.907) 27.064 2.882 ( 5.146 0.342 -1.187) 5.292 3.129 ( 6.819 4.525 1.297) 8.286 3.292 ( 5.781 1.605 2.982) 6.700 3.521 ( 13.831 -0.084 6.279) 15.190 3.577 ( 2.796 5.205 -1.220) 6.033 3.712 ( -5.597 2.409 -5.445) 8.172 3.831 ( 2.107 0.064 5.788) 6.159 3.949 ( 0.981 -0.046 -5.341) 5.430 4.075 ( 8.425 -5.894 -2.770) 10.649 4.326 ( -0.532 -3.003 1.971) 3.631 4.457 ( 7.245 -4.587 -0.495) 8.589 4.667 ( 2.703 -1.783 0.585) 3.291 4.718 ( 6.110 3.260 -3.252) 7.651 4.838 ( 2.537 1.106 -0.263) 2.780 5.049 ( 8.271 -1.579 11.593) 14.328 5.383 ( -3.163 -1.673 -4.296) 5.590 5.598 ( -5.501 -4.582 -4.098) 8.249 5.840 ( -13.568 -0.501 -3.799) 14.099 5.971 ( -5.715 1.374 -1.771) 6.139 6.118 ( -3.088 -4.865 0.129) 5.764 6.261 ( -6.262 2.377 -3.360) 7.494 6.692 ( -5.632 3.312 -2.211) 6.897 6.735 ( -8.589 -1.988 -2.951) 9.297 6.884 ( 1.618 1.402 6.500) 6.844 7.240 ( -7.154 -2.875 3.337) 8.401 7.356 ( -4.848 4.004 0.215) 6.291 7.548 ( 3.489 -5.430 0.796) 6.503 7.787 ( -12.725 2.969 1.505) 13.153 8.248 ( 5.377 0.443 -3.060) 6.203 8.750 ( 10.815 -0.292 -1.303) 10.897 8.805 ( 7.078 0.006 -3.013) 7.693 8.972 ( 8.146 -3.120 1.828) 8.913 9.059 ( 2.439 -1.056 -0.449) 2.695 9.833 ( 7.999 3.774 -0.690) 8.871 9.990 ( 4.165 3.041 1.268) 5.311 10.118 ( -0.242 -0.081 -3.209) 3.219 10.269 ( -2.167 -0.895 -0.374) 2.374 11.103 ( -1.555 -0.836 0.200) 1.777 11.218 ( 1.283 2.563 -0.081) 2.867 11.436 ( 0.095 1.384 -4.218) 4.440 11.944 ( 0.654 -6.192 0.821) 6.280 12.811 ( -1.213 -3.702 -1.117) 4.053 12.867 ( 0.078 -3.893 -3.245) 5.069 12.956 ( 0.369 1.591 0.430) 1.689 13.210 ( -0.823 -0.642 5.901) 5.993 13.368 ( -2.567 9.258 -4.189) 10.480 13.628 ( -0.691 2.594 6.982) 7.481 13.994 ( -4.833 2.620 -0.832) 5.560 14.310 ( 4.987 0.261 -4.883) 6.985 15.016 ( -9.211 -1.208 4.408) 10.282 15.213 ( -5.714 -4.034 7.543) 10.287 15.412 ( 1.772 4.688 -4.784) 6.929 16.001 ( -3.606 -7.494 1.082) 8.387 21.373 ( -2.952 9.641 6.794) 12.158 21.376 ( 3.524 3.591 -4.686) 6.875 21.831 ( -5.043 -1.814 -6.044) 8.078 22.180 ( -5.296 -3.652 8.778) 10.883 22.799 ( -7.788 -1.064 -3.429) 8.576 22.922 ( -8.303 -1.764 -2.255) 8.783 23.205 ( 10.912 3.977 3.962) 12.271 23.305 ( 11.480 0.662 0.225) 11.501 23.705 ( 5.428 0.254 -3.249) 6.331 24.116 ( 5.068 -3.110 5.036) 7.792 24.265 ( 0.780 3.009 -3.417) 4.619 24.489 ( 1.051 0.422 -0.078) 1.135 24.804 ( 7.286 -2.462 4.728) 9.028 24.880 ( 5.744 0.250 1.802) 6.026 25.383 ( 0.616 -3.191 -4.293) 5.385 25.638 ( 0.188 -3.824 -2.036) 4.336 ======================= Grid point 247 (122/136) ======================= q-point: ( 0.27 0.17 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 198 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.992 ( 12.780 10.102 -0.582) 16.301 1.552 ( 11.736 4.116 -11.646) 17.039 2.074 ( 7.378 3.228 10.997) 13.630 2.207 ( -0.010 3.578 9.278) 9.944 2.427 ( 7.916 -9.268 -0.465) 12.197 2.616 ( -3.818 0.590 3.797) 5.417 2.640 ( 6.802 1.608 -5.541) 8.920 2.766 ( 0.413 0.154 5.715) 5.732 2.912 ( -0.472 -0.335 -0.124) 0.592 3.036 ( -1.924 5.062 5.660) 7.833 3.315 ( 4.860 1.311 0.780) 5.094 3.431 ( 4.393 2.121 -2.200) 5.351 3.575 ( 4.238 -0.167 -1.826) 4.618 3.631 ( 5.979 1.022 -3.646) 7.077 3.763 ( 11.380 2.622 5.608) 12.955 4.038 ( 8.153 -9.215 -1.474) 12.392 4.100 ( 16.791 0.060 5.252) 17.593 4.260 ( 11.701 0.054 2.747) 12.019 4.358 ( 7.036 -0.720 -1.578) 7.247 4.566 ( 7.122 1.111 -2.246) 7.549 4.693 ( 2.834 1.666 -2.830) 4.338 4.774 ( 2.191 3.556 -3.981) 5.770 4.909 ( 3.033 0.621 1.878) 3.622 5.262 ( -1.707 -6.794 3.260) 7.727 5.327 ( 6.353 0.073 2.540) 6.843 5.483 ( -6.962 2.536 -0.318) 7.416 5.538 ( -8.570 -0.517 -0.379) 8.594 5.900 ( -1.977 2.092 1.037) 3.059 6.105 ( 0.049 -3.083 -3.055) 4.341 6.154 ( -1.844 -4.215 -6.306) 7.806 6.401 ( -11.663 0.741 -10.409) 15.650 6.635 ( -5.827 6.777 -0.376) 8.946 6.965 ( -3.547 0.972 8.157) 8.948 7.265 ( -0.040 -3.173 10.480) 10.950 7.379 ( 8.624 0.705 -0.178) 8.654 7.574 ( -0.788 -0.976 -4.448) 4.621 7.625 ( -5.588 -0.162 4.440) 7.139 8.246 ( -2.464 -3.899 -3.597) 5.849 8.780 ( -1.550 -1.229 -4.656) 5.058 8.861 ( -1.672 0.815 -3.462) 3.930 9.106 ( 5.043 -1.835 1.806) 5.662 9.144 ( 8.765 -1.999 1.076) 9.054 9.917 ( 2.099 4.711 -2.969) 5.951 10.014 ( 2.303 -1.718 -0.755) 2.971 10.124 ( 0.837 2.168 -1.690) 2.874 10.210 ( -3.124 -1.158 -1.506) 3.657 11.111 ( 2.260 0.174 1.141) 2.537 11.253 ( 1.976 4.954 1.414) 5.518 11.483 ( 6.839 -1.035 -0.499) 6.935 11.941 ( -1.585 -5.900 0.565) 6.135 12.760 ( -1.624 -3.242 -2.303) 4.295 12.865 ( 0.894 -0.350 -0.826) 1.266 12.945 ( -1.574 4.032 -0.318) 4.340 13.222 ( -2.726 -0.338 2.259) 3.557 13.335 ( 1.468 4.630 0.259) 4.864 13.689 ( -2.175 -1.057 9.416) 9.721 13.906 ( -2.857 3.110 -2.576) 4.947 14.303 ( 1.263 -1.538 -8.003) 8.247 14.954 ( -4.376 0.664 7.747) 8.922 15.212 ( -4.039 -3.538 9.054) 10.526 15.388 ( 1.074 3.777 -5.338) 6.627 15.855 ( -8.419 -5.163 -6.805) 11.993 21.380 ( -0.665 5.858 2.066) 6.248 21.404 ( 1.804 4.806 -0.297) 5.142 21.709 ( -2.422 -2.147 -4.350) 5.422 22.140 ( -8.119 -4.681 6.626) 11.478 22.661 ( -4.603 -0.137 -1.948) 5.000 22.800 ( -3.822 -1.495 -1.779) 4.473 23.452 ( 10.801 0.929 3.793) 11.485 23.529 ( 12.352 3.355 3.870) 13.372 23.752 ( 3.418 -0.552 -1.798) 3.902 24.066 ( -4.588 2.336 -4.431) 6.793 24.325 ( 3.311 -1.101 -0.116) 3.491 24.493 ( 0.329 -0.789 -1.726) 1.926 24.949 ( 5.159 0.210 2.204) 5.614 25.007 ( 4.822 2.209 3.040) 6.113 25.416 ( 3.946 -6.160 1.899) 7.558 25.610 ( 0.148 -3.425 -3.495) 4.895 ======================= Grid point 248 (123/136) ======================= q-point: ( 0.36 0.17 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 198 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.293 ( 16.475 6.458 7.523) 19.228 1.683 ( 13.354 0.064 -5.857) 14.582 2.195 ( -6.694 -0.617 2.262) 7.093 2.254 ( 0.026 7.982 6.833) 10.507 2.473 ( -1.431 -1.016 -5.449) 5.724 2.592 ( 5.856 -3.309 -0.049) 6.726 2.722 ( -2.318 -1.938 2.398) 3.858 2.786 ( -1.251 2.085 6.257) 6.713 2.890 ( 0.428 0.319 -1.343) 1.446 2.997 ( -4.894 2.265 3.707) 6.544 3.409 ( -1.904 -0.382 -0.878) 2.131 3.414 ( 5.679 -2.041 3.632) 7.043 3.597 ( 1.818 4.087 -0.161) 4.476 3.770 ( 7.292 -3.494 0.324) 8.092 4.021 ( 4.312 -4.321 10.870) 12.467 4.110 ( 2.718 -7.915 -1.403) 8.486 4.309 ( 6.594 1.384 -2.971) 7.364 4.406 ( 5.553 5.859 1.362) 8.186 4.504 ( -3.808 4.589 -2.787) 6.582 4.626 ( 1.939 6.692 -7.398) 10.162 4.784 ( 18.036 2.608 -0.844) 18.243 4.848 ( 10.923 0.795 1.240) 11.022 4.955 ( 4.169 0.294 0.590) 4.221 5.276 ( 1.654 0.006 -0.575) 1.751 5.301 ( -3.022 -0.178 0.748) 3.118 5.407 ( -7.417 1.067 1.530) 7.648 5.641 ( 10.113 -7.559 7.805) 14.843 5.904 ( -2.489 -1.728 2.625) 4.009 5.944 ( -7.795 -3.100 -12.015) 14.654 6.082 ( 0.772 -3.054 -7.486) 8.122 6.284 ( 2.829 6.299 0.178) 6.908 6.499 ( -6.874 6.637 -1.651) 9.697 6.984 ( -2.355 1.245 8.725) 9.122 7.369 ( -2.057 -0.481 5.771) 6.146 7.419 ( -1.246 -5.568 -3.046) 6.468 7.654 ( 15.335 0.691 0.622) 15.363 7.698 ( 7.892 -0.969 5.186) 9.493 8.091 ( -8.992 -5.653 -6.033) 12.215 8.635 ( -9.476 -0.833 -5.186) 10.834 8.686 ( -13.209 0.224 -3.261) 13.607 9.234 ( 6.386 -1.139 2.756) 7.048 9.294 ( 7.661 -1.497 -0.336) 7.813 9.892 ( -0.291 1.865 -2.684) 3.281 10.021 ( -2.008 -0.521 -3.153) 3.774 10.108 ( 0.967 1.731 -1.341) 2.394 10.152 ( -1.962 -1.150 -0.536) 2.336 11.197 ( 4.673 1.994 2.770) 5.786 11.304 ( 2.251 5.512 0.972) 6.032 11.617 ( 7.257 -2.245 1.239) 7.697 11.904 ( -3.025 -4.521 0.177) 5.443 12.727 ( -0.465 -1.021 -0.492) 1.225 12.842 ( -2.291 1.771 -1.992) 3.515 12.942 ( 2.173 2.860 0.593) 3.641 13.179 ( -3.735 -1.504 0.667) 4.081 13.395 ( 3.737 2.185 1.608) 4.617 13.688 ( -7.275 -1.654 5.951) 9.543 13.891 ( 2.633 1.935 1.052) 3.433 14.212 ( -1.758 -2.039 -8.588) 9.000 15.004 ( 0.189 1.138 8.724) 8.800 15.238 ( -2.658 -3.276 7.088) 8.249 15.350 ( -0.255 2.953 -3.202) 4.364 15.633 ( -6.240 -2.512 -10.833) 12.752 21.392 ( -0.622 4.156 2.549) 4.915 21.421 ( 1.422 3.313 -2.092) 4.169 21.681 ( 2.102 -2.224 -0.783) 3.159 22.032 ( -9.391 -4.868 2.739) 10.927 22.609 ( -1.127 0.607 1.053) 1.657 22.736 ( -2.010 -0.972 -1.883) 2.920 23.607 ( 6.874 0.308 -2.635) 7.368 23.752 ( 0.384 4.571 7.482) 8.777 23.815 ( 8.155 -3.598 1.303) 9.009 23.978 ( 0.174 3.335 -2.137) 3.965 24.345 ( 1.055 -1.049 -2.668) 3.055 24.463 ( -1.408 -0.784 -2.806) 3.236 25.045 ( 3.690 1.462 1.888) 4.396 25.082 ( 2.873 3.450 -0.106) 4.491 25.503 ( 1.905 -6.587 3.314) 7.616 25.586 ( 0.635 -3.012 -2.566) 4.008 ======================= Grid point 249 (124/136) ======================= q-point: ( 0.45 0.17 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 198 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.646 ( 15.098 1.305 6.958) 16.676 1.853 ( 4.289 -2.036 -1.836) 5.090 2.053 ( -3.023 3.418 -1.566) 4.824 2.192 ( -9.906 5.818 -0.788) 11.515 2.448 ( 3.104 0.448 0.554) 3.184 2.562 ( -6.713 0.123 -2.506) 7.166 2.764 ( 4.102 -3.916 2.260) 6.105 2.812 ( -0.937 -4.215 1.117) 4.460 2.928 ( 3.303 2.208 0.551) 4.010 2.975 ( -2.116 2.595 1.712) 3.761 3.405 ( 0.360 0.547 4.274) 4.324 3.474 ( -0.604 1.580 -3.342) 3.745 3.693 ( 7.670 -0.874 3.003) 8.284 3.822 ( -2.667 -7.260 -0.404) 7.745 4.123 ( 1.004 2.085 0.398) 2.348 4.129 ( 0.697 -3.620 1.321) 3.916 4.318 ( 0.475 -2.282 1.158) 2.603 4.418 ( -3.637 3.489 0.250) 5.046 4.466 ( 0.636 4.423 1.505) 4.715 4.546 ( -1.632 6.406 -6.510) 9.278 4.958 ( 3.037 0.766 2.902) 4.270 4.999 ( 1.186 0.322 -0.372) 1.284 5.121 ( 11.985 0.361 -2.416) 12.231 5.246 ( -5.952 0.972 -0.596) 6.060 5.336 ( 8.939 4.277 4.287) 10.797 5.461 ( 8.581 -0.079 -3.810) 9.389 5.685 ( -6.358 1.902 -6.965) 9.620 5.745 ( -9.313 -1.204 4.900) 10.592 5.919 ( 3.535 -4.015 5.382) 7.588 6.033 ( -0.565 -2.736 -6.428) 7.009 6.353 ( 4.531 3.595 -0.943) 5.860 6.414 ( -3.736 0.854 1.114) 3.991 7.073 ( 1.964 0.786 10.306) 10.521 7.234 ( -4.673 0.906 -9.569) 10.688 7.519 ( 6.081 -5.858 7.822) 11.510 7.748 ( -8.104 -5.305 -8.228) 12.709 7.985 ( 14.943 -0.513 9.324) 17.621 8.043 ( 15.030 -0.696 -1.216) 15.095 8.367 ( -12.906 -0.324 -9.052) 15.767 8.384 ( -18.820 -0.422 0.718) 18.838 9.354 ( 3.409 -0.873 3.100) 4.689 9.383 ( 3.072 -1.102 -1.623) 3.645 9.875 ( 0.349 0.886 0.121) 0.960 9.925 ( -3.368 0.228 -3.478) 4.847 10.119 ( 1.308 -0.073 -1.149) 1.743 10.131 ( -1.169 -0.585 0.837) 1.553 11.294 ( 3.112 3.651 2.137) 5.252 11.332 ( 0.143 4.930 -0.351) 4.944 11.742 ( 5.997 -2.468 0.871) 6.544 11.839 ( -4.571 -3.153 -0.301) 5.561 12.734 ( 0.973 0.755 1.045) 1.615 12.778 ( -2.342 2.109 -1.910) 3.685 13.014 ( 4.762 0.318 0.773) 4.835 13.105 ( -4.994 -1.154 -0.138) 5.127 13.486 ( 5.476 0.910 0.655) 5.590 13.592 ( -7.034 -0.142 1.281) 7.151 13.980 ( 3.044 -0.422 5.548) 6.342 14.093 ( -2.655 -1.551 -7.486) 8.093 15.110 ( 2.323 0.575 7.781) 8.140 15.215 ( -2.335 -0.874 -3.962) 4.681 15.356 ( -0.910 0.400 7.601) 7.666 15.455 ( -1.827 -0.933 -11.021) 11.210 21.406 ( -1.065 2.946 3.161) 4.450 21.417 ( 1.272 2.495 -3.219) 4.267 21.755 ( 5.910 -2.788 0.962) 6.605 21.887 ( -8.403 -3.969 -0.154) 9.294 22.630 ( 0.846 0.511 3.014) 3.172 22.683 ( -1.566 -0.171 -2.929) 3.326 23.669 ( 5.129 1.214 -4.099) 6.677 23.723 ( -5.400 1.474 3.289) 6.492 23.978 ( 4.914 -1.523 3.057) 5.984 24.017 ( 1.697 0.159 0.858) 1.908 24.339 ( 1.657 0.076 -1.193) 2.044 24.394 ( -3.047 0.190 -2.593) 4.006 25.105 ( 1.051 2.350 1.677) 3.072 25.114 ( 1.494 3.122 -1.179) 3.656 25.546 ( 1.872 -4.715 0.010) 5.073 25.573 ( -1.246 -3.725 0.226) 3.934 ======================= Grid point 255 (125/136) ======================= q-point: ( 0.00 0.33 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 102 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.247 ( -3.259 1.917 -15.148) 15.613 1.247 ( 3.259 1.917 15.148) 15.613 1.679 ( 2.610 -4.805 -9.713) 11.147 1.679 ( -2.610 -4.805 9.713) 11.147 1.883 ( -6.805 4.419 -0.725) 8.147 1.883 ( 6.805 4.419 0.725) 8.147 2.481 ( 2.095 7.288 -1.085) 7.660 2.481 ( -2.095 7.288 1.085) 7.660 2.704 ( -3.515 -5.427 -4.021) 7.614 2.704 ( 3.515 -5.427 4.021) 7.614 3.120 ( 3.127 13.503 -10.804) 17.574 3.120 ( -3.127 13.503 10.804) 17.574 3.453 ( -0.884 5.731 -2.484) 6.309 3.453 ( 0.884 5.731 2.484) 6.309 3.832 ( 1.428 -10.146 -4.914) 11.364 3.832 ( -1.428 -10.146 4.914) 11.364 3.996 ( 3.131 -2.938 -2.269) 4.856 3.996 ( -3.131 -2.938 2.269) 4.856 4.286 ( 6.936 -3.013 -8.158) 11.124 4.286 ( -6.936 -3.013 8.158) 11.124 4.657 ( -6.269 3.583 -4.538) 8.528 4.657 ( 6.269 3.583 4.538) 8.528 4.825 ( 2.306 2.468 -5.452) 6.414 4.825 ( -2.306 2.468 5.452) 6.414 5.561 ( -3.496 -5.780 -2.808) 7.315 5.561 ( 3.496 -5.780 2.808) 7.315 5.663 ( 1.042 -7.579 -2.302) 7.989 5.663 ( -1.042 -7.579 2.302) 7.989 6.424 ( -3.210 -1.079 -1.444) 3.682 6.424 ( 3.210 -1.079 1.444) 3.682 6.960 ( -10.242 5.243 -2.031) 11.684 6.960 ( 10.242 5.243 2.031) 11.684 7.147 ( -7.493 -3.824 -2.360) 8.737 7.147 ( 7.493 -3.824 2.360) 8.737 7.661 ( 1.390 -0.296 -4.164) 4.400 7.661 ( -1.390 -0.296 4.164) 4.400 8.008 ( -2.595 1.362 -0.140) 2.934 8.008 ( 2.595 1.362 0.140) 2.934 8.584 ( -5.293 3.362 0.242) 6.275 8.584 ( 5.293 3.362 -0.242) 6.275 8.833 ( -5.400 -2.810 -0.008) 6.087 8.833 ( 5.400 -2.810 0.008) 6.087 9.781 ( -2.403 2.705 -1.932) 4.102 9.781 ( 2.403 2.705 1.932) 4.102 10.263 ( -1.815 0.610 -0.755) 2.058 10.263 ( 1.815 0.610 0.755) 2.058 11.200 ( 1.590 1.270 -2.850) 3.502 11.200 ( -1.590 1.270 2.850) 3.502 11.699 ( -3.188 -2.736 -3.902) 5.734 11.699 ( 3.188 -2.736 3.902) 5.734 12.768 ( 1.946 -2.702 -2.492) 4.159 12.768 ( -1.946 -2.702 2.492) 4.159 13.010 ( -2.527 -2.085 -2.058) 3.869 13.010 ( 2.527 -2.085 2.058) 3.869 13.721 ( -0.522 6.868 -2.019) 7.177 13.721 ( 0.522 6.868 2.019) 7.177 14.220 ( -2.978 2.868 -0.163) 4.138 14.220 ( 2.978 2.868 0.163) 4.138 15.177 ( 1.739 -3.018 -3.749) 5.118 15.177 ( -1.739 -3.018 3.749) 5.118 15.626 ( -6.349 -1.599 -2.975) 7.191 15.626 ( 6.349 -1.599 2.975) 7.191 21.527 ( 1.759 8.440 -6.446) 10.765 21.527 ( -1.759 8.440 6.446) 10.765 22.025 ( -0.320 -3.555 -6.939) 7.803 22.025 ( 0.320 -3.555 6.939) 7.803 22.963 ( -1.093 1.206 -0.372) 1.670 22.963 ( 1.093 1.206 0.372) 1.670 23.339 ( -0.728 -1.805 0.133) 1.951 23.339 ( 0.728 -1.805 -0.133) 1.951 23.497 ( -0.809 0.536 -3.770) 3.893 23.497 ( 0.809 0.536 3.770) 3.893 24.445 ( -1.081 2.240 -3.341) 4.165 24.445 ( 1.081 2.240 3.341) 4.165 24.626 ( -1.626 -3.736 -3.113) 5.128 24.626 ( 1.626 -3.736 3.113) 5.128 25.510 ( -1.924 -2.409 -2.672) 4.080 25.510 ( 1.924 -2.409 2.672) 4.080 ======================= Grid point 257 (126/136) ======================= q-point: ( 0.09 0.33 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 198 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.150 ( 6.872 11.026 -14.943) 19.801 1.512 ( 9.073 -2.500 8.426) 12.632 1.722 ( 10.273 -1.016 -2.310) 10.579 1.779 ( 1.621 -2.317 10.039) 10.430 1.901 ( 8.796 -0.437 1.660) 8.962 2.135 ( 19.690 -2.339 -0.202) 19.829 2.518 ( 3.686 5.701 3.442) 7.612 2.610 ( 12.658 12.621 2.748) 18.085 2.677 ( 4.902 -5.055 -4.543) 8.380 2.865 ( 8.395 2.172 1.446) 8.791 3.140 ( 5.042 4.385 -1.681) 6.890 3.196 ( 6.949 12.653 4.035) 14.989 3.393 ( -4.011 7.664 3.358) 9.279 3.544 ( 4.531 1.870 2.339) 5.432 3.764 ( -1.306 -12.366 -6.908) 14.225 3.836 ( -1.943 -5.087 3.893) 6.694 3.953 ( -2.241 0.499 -1.746) 2.885 4.076 ( 6.499 -2.340 -4.102) 8.034 4.218 ( -3.192 -6.504 2.064) 7.534 4.275 ( -0.933 -2.812 -8.010) 8.541 4.577 ( 0.771 3.765 2.192) 4.424 4.753 ( 2.580 0.778 -2.346) 3.573 4.839 ( -0.417 1.387 1.738) 2.263 4.868 ( 0.916 1.362 8.496) 8.654 5.449 ( -3.148 -1.557 -4.103) 5.401 5.571 ( 0.224 -4.025 -0.439) 4.055 5.744 ( 4.886 -7.415 2.664) 9.271 5.783 ( 8.444 -8.458 0.717) 11.973 6.333 ( -7.323 1.967 -1.449) 7.720 6.459 ( -4.134 -3.813 0.426) 5.640 6.743 ( -8.713 7.065 1.068) 11.268 6.915 ( -10.857 0.979 -1.688) 11.031 7.055 ( -2.970 2.152 -2.860) 4.651 7.207 ( -0.931 -7.641 -1.473) 7.837 7.518 ( -10.379 1.721 1.551) 10.634 7.539 ( -7.364 0.668 -2.110) 7.689 8.009 ( -3.813 3.482 2.479) 5.728 8.161 ( 8.077 -1.542 -0.967) 8.279 8.584 ( 7.168 3.654 0.211) 8.048 8.697 ( 7.638 0.046 -1.611) 7.806 8.808 ( 3.255 -0.540 0.447) 3.329 8.944 ( 6.672 -3.936 -1.374) 7.867 9.789 ( 4.540 4.772 0.829) 6.639 9.918 ( 9.092 0.866 1.757) 9.300 10.195 ( -4.205 1.629 -1.899) 4.894 10.277 ( -0.486 -0.911 -0.444) 1.124 11.157 ( -2.540 1.732 -0.587) 3.130 11.215 ( 1.355 0.032 -1.807) 2.259 11.581 ( -5.318 1.916 -2.592) 6.219 11.771 ( 0.752 -6.762 2.742) 7.336 12.766 ( 0.017 -2.265 -0.191) 2.273 12.778 ( 2.054 -3.422 -2.417) 4.666 12.980 ( 0.442 1.320 -0.030) 1.393 13.090 ( 3.274 -3.563 3.281) 5.846 13.654 ( -4.413 7.431 -2.478) 8.991 13.715 ( -3.171 4.877 2.094) 6.183 14.155 ( -3.544 4.725 -0.889) 5.973 14.274 ( 3.485 0.429 -1.745) 3.921 15.099 ( -7.262 -1.804 1.993) 7.744 15.162 ( -5.270 -4.477 4.371) 8.181 15.539 ( -0.202 4.734 -2.810) 5.509 15.780 ( 6.111 -7.565 2.004) 9.929 21.495 ( 1.446 7.313 -5.574) 9.308 21.555 ( -2.524 8.323 6.562) 10.895 21.933 ( -4.380 -1.459 -3.733) 5.937 22.077 ( -3.556 -5.271 9.079) 11.084 22.940 ( -3.746 1.393 -1.062) 4.136 23.020 ( -1.153 -0.938 1.525) 2.130 23.169 ( -3.717 0.439 -2.788) 4.667 23.194 ( -2.406 -0.131 -1.628) 2.908 23.630 ( 9.779 1.954 -1.714) 10.118 23.767 ( 14.840 -3.438 6.117) 16.416 24.387 ( -1.151 2.819 -3.925) 4.968 24.484 ( 0.771 0.331 -0.205) 0.864 24.621 ( 4.304 -1.629 0.414) 4.621 24.729 ( 6.309 -3.220 1.819) 7.313 25.433 ( -2.513 -0.089 -4.613) 5.254 25.543 ( 0.343 -4.793 0.214) 4.810 ======================= Grid point 258 (127/136) ======================= q-point: ( 0.18 0.33 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 198 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.152 ( 7.030 15.919 -8.343) 19.298 1.637 ( 4.573 1.658 -4.235) 6.449 1.896 ( 7.401 2.670 8.607) 11.661 2.011 ( 9.742 -4.507 10.994) 15.365 2.100 ( 9.271 -2.293 2.550) 9.885 2.457 ( 16.582 -6.521 -3.338) 18.129 2.637 ( 2.007 1.929 5.388) 6.065 2.683 ( 1.844 -1.037 0.091) 2.117 2.961 ( 15.220 12.965 -6.046) 20.887 3.021 ( 8.808 8.973 8.863) 15.384 3.198 ( 7.087 3.346 4.289) 8.934 3.381 ( 0.513 5.783 1.148) 5.918 3.507 ( 17.267 -0.165 3.616) 17.642 3.635 ( -3.149 -9.651 -7.573) 12.666 3.639 ( 3.036 -0.066 -0.045) 3.038 3.884 ( 1.705 4.526 1.182) 4.979 3.892 ( 0.044 -4.594 -2.549) 5.254 4.067 ( 5.028 3.111 -3.810) 7.034 4.255 ( 2.262 -3.965 2.707) 5.307 4.318 ( 15.615 -7.775 -4.416) 17.994 4.660 ( 3.556 1.274 3.471) 5.130 4.773 ( 3.371 1.022 -2.434) 4.281 4.835 ( -1.574 -0.606 2.654) 3.144 4.962 ( 0.870 -6.230 6.668) 9.167 5.394 ( 0.093 3.940 -2.763) 4.813 5.588 ( 1.138 1.186 0.894) 1.871 5.782 ( -2.022 -4.090 -2.429) 5.169 5.928 ( 7.186 -6.658 -0.408) 9.805 6.074 ( -17.483 3.115 -3.724) 18.144 6.267 ( -10.562 -2.750 -4.438) 11.782 6.747 ( -2.591 4.384 4.907) 7.072 6.795 ( -7.618 5.960 -4.529) 10.680 6.892 ( -2.214 -0.828 3.383) 4.127 7.129 ( -5.258 -8.441 1.106) 10.007 7.419 ( -4.015 2.068 1.197) 4.672 7.468 ( 0.318 -2.031 -0.125) 2.060 7.889 ( -10.357 7.386 1.239) 12.781 8.205 ( -0.605 -5.254 -1.979) 5.647 8.762 ( 9.817 1.605 -2.096) 10.166 8.810 ( 7.060 0.219 -1.753) 7.278 8.922 ( 8.542 -1.243 0.996) 8.690 9.014 ( 3.297 -3.369 -1.580) 4.971 9.911 ( 7.396 4.307 0.351) 8.566 10.079 ( 6.881 0.928 0.741) 6.983 10.092 ( -4.394 1.574 -3.184) 5.650 10.243 ( -2.331 -1.886 -1.001) 3.161 11.119 ( -0.438 2.333 -0.656) 2.463 11.232 ( 2.927 -1.279 -1.031) 3.357 11.496 ( -1.705 4.863 -1.277) 5.309 11.789 ( -1.055 -8.808 2.327) 9.171 12.750 ( -0.122 -1.530 -2.134) 2.629 12.803 ( 2.058 -3.011 -0.356) 3.665 13.009 ( 1.976 3.657 0.087) 4.157 13.170 ( 2.004 -3.321 2.938) 4.866 13.538 ( -5.767 7.410 -2.080) 9.618 13.673 ( -4.467 1.007 3.961) 6.055 14.080 ( -3.528 5.955 -2.033) 7.214 14.293 ( 1.695 -2.508 -4.200) 5.177 15.003 ( -6.737 0.445 5.038) 8.424 15.125 ( -5.232 -4.697 7.518) 10.293 15.521 ( 1.057 6.330 -4.292) 7.720 15.830 ( -0.822 -9.135 -1.814) 9.349 21.471 ( 1.738 5.651 -5.019) 7.755 21.569 ( -2.799 7.464 6.081) 10.026 21.801 ( -7.089 0.455 -2.618) 7.571 22.074 ( -7.101 -7.015 9.092) 13.502 22.793 ( -7.536 0.637 -3.078) 8.165 22.876 ( -8.085 -2.727 -2.408) 8.866 23.276 ( 9.971 2.718 3.000) 10.761 23.318 ( 12.025 0.447 1.299) 12.103 23.747 ( 5.637 4.543 -1.202) 7.339 24.021 ( 6.320 -6.458 5.603) 10.632 24.334 ( -0.115 3.755 -3.978) 5.472 24.476 ( 0.339 -2.306 -2.466) 3.393 24.778 ( 10.544 0.569 3.239) 11.045 24.867 ( 7.833 -1.637 1.441) 8.131 25.353 ( -0.853 0.758 -4.868) 5.000 25.533 ( -0.328 -6.315 -1.855) 6.590 ======================= Grid point 259 (128/136) ======================= q-point: ( 0.27 0.33 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 198 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.252 ( 9.637 15.420 -0.247) 18.186 1.651 ( 4.118 3.207 -5.668) 7.705 2.117 ( 5.108 0.717 9.869) 11.136 2.253 ( 11.326 -5.858 2.122) 12.927 2.282 ( 6.340 3.064 8.181) 10.794 2.524 ( 1.615 -8.055 -9.832) 12.813 2.687 ( -1.970 1.888 6.853) 7.377 2.761 ( 0.494 -1.012 5.760) 5.869 2.993 ( 0.235 7.966 -4.829) 9.319 3.168 ( -3.233 8.408 6.857) 11.321 3.313 ( -4.878 -1.816 1.821) 5.515 3.459 ( 1.352 -1.063 3.939) 4.298 3.589 ( 8.773 2.415 -1.538) 9.229 3.655 ( 0.818 0.815 -4.077) 4.237 3.754 ( 7.769 -4.313 1.394) 8.995 3.847 ( 6.412 -8.421 -1.843) 10.744 4.137 ( 21.219 5.259 1.351) 21.903 4.328 ( 18.687 4.272 3.888) 19.559 4.357 ( 9.121 1.306 -0.350) 9.221 4.552 ( 14.107 -2.716 -4.776) 15.139 4.740 ( 2.969 2.622 1.432) 4.211 4.817 ( 2.879 1.539 0.081) 3.265 4.890 ( 4.559 -2.454 2.474) 5.738 5.070 ( 5.414 -11.136 6.608) 14.035 5.363 ( -1.555 4.638 -1.614) 5.151 5.532 ( -11.179 2.346 -4.373) 12.231 5.636 ( -6.821 6.636 2.489) 9.837 5.853 ( -5.346 -4.958 -2.839) 7.824 6.003 ( 3.049 -4.898 -4.046) 7.046 6.047 ( -5.035 -6.596 -8.618) 11.963 6.548 ( -7.013 11.539 -4.525) 14.241 6.755 ( -4.175 4.881 1.646) 6.631 6.962 ( -1.437 -1.156 7.319) 7.548 7.136 ( 0.583 -9.158 6.877) 11.467 7.409 ( 2.475 1.828 1.396) 3.379 7.508 ( 4.391 -3.693 0.018) 5.738 7.722 ( -9.092 8.499 0.771) 12.470 8.119 ( -6.297 -8.807 -3.174) 11.282 8.781 ( -1.962 1.428 -4.210) 4.859 8.859 ( -2.314 -1.028 -3.860) 4.616 9.075 ( 7.507 -0.980 0.159) 7.573 9.102 ( 9.133 -2.032 1.069) 9.418 9.994 ( -2.567 1.581 -2.712) 4.055 10.012 ( 3.858 1.892 -2.004) 4.741 10.145 ( 1.194 0.371 -1.411) 1.885 10.188 ( -2.391 -0.915 -1.689) 3.067 11.152 ( 4.005 3.807 1.540) 5.737 11.307 ( 5.333 -0.738 1.256) 5.528 11.500 ( 2.622 3.950 -0.112) 4.742 11.791 ( -0.843 -8.619 1.537) 8.796 12.733 ( -0.109 0.459 -0.714) 0.856 12.831 ( 1.455 -2.911 -0.349) 3.273 13.028 ( 0.397 4.631 -0.729) 4.705 13.195 ( -1.625 -2.620 0.526) 3.127 13.450 ( -2.647 6.446 0.751) 7.009 13.650 ( -4.016 -3.037 6.076) 7.891 14.001 ( -2.527 6.279 -2.830) 7.336 14.246 ( -1.149 -4.383 -6.077) 7.581 14.982 ( -2.923 2.305 7.637) 8.496 15.130 ( -3.365 -4.498 8.600) 10.273 15.480 ( -0.154 5.436 -5.577) 7.790 15.732 ( -4.822 -6.870 -6.612) 10.685 21.458 ( 2.230 4.177 -4.602) 6.604 21.581 ( -3.030 7.805 6.436) 10.561 21.660 ( -4.894 -0.471 -3.411) 5.984 22.011 ( -9.104 -8.253 6.893) 14.089 22.671 ( -3.819 1.209 -1.452) 4.261 22.759 ( -3.609 -2.534 -1.408) 4.629 23.477 ( 10.091 1.640 1.166) 10.290 23.556 ( 11.906 -1.147 2.761) 12.275 23.813 ( 2.084 6.830 1.883) 7.385 24.074 ( -2.449 -2.521 0.444) 3.542 24.323 ( 1.893 1.529 -1.952) 3.120 24.456 ( 0.342 -3.099 -2.750) 4.157 24.969 ( 7.514 1.704 1.763) 7.904 25.039 ( 8.777 0.286 3.223) 9.355 25.323 ( 1.923 -1.499 -2.701) 3.639 25.508 ( 0.423 -6.593 -3.033) 7.269 ======================= Grid point 260 (129/136) ======================= q-point: ( 0.36 0.33 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 198 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.463 ( 11.679 10.218 4.168) 16.068 1.707 ( 6.737 0.988 -1.008) 6.883 2.203 ( -2.517 2.075 3.304) 4.643 2.380 ( -0.749 -1.215 1.118) 1.813 2.442 ( 4.517 1.668 -4.997) 6.939 2.521 ( 8.778 -2.528 0.415) 9.144 2.664 ( -4.501 -2.885 3.645) 6.471 2.786 ( -5.708 -2.787 4.394) 7.724 2.927 ( -1.548 3.561 -0.456) 3.910 3.045 ( -6.670 1.471 0.616) 6.858 3.392 ( 4.620 1.539 2.985) 5.712 3.449 ( -1.187 3.331 3.243) 4.798 3.631 ( 1.749 -0.014 0.134) 1.754 3.707 ( 1.327 -3.909 1.329) 4.337 3.914 ( 5.537 -5.599 6.264) 10.062 3.966 ( 6.098 -5.920 2.037) 8.739 4.389 ( 5.897 6.740 -2.217) 9.226 4.522 ( 6.153 4.310 -1.613) 7.684 4.598 ( 3.036 4.680 -3.881) 6.796 4.706 ( 6.350 0.635 -6.507) 9.114 4.863 ( 12.602 3.839 5.504) 14.277 4.883 ( 9.175 4.595 0.243) 10.264 4.966 ( 3.301 0.454 0.026) 3.332 5.223 ( 5.329 -6.020 8.172) 11.464 5.309 ( -4.787 -0.927 0.441) 4.895 5.403 ( -3.748 0.844 -2.632) 4.657 5.555 ( 3.887 -0.779 3.445) 5.252 5.799 ( 0.302 -7.806 -0.146) 7.813 5.902 ( -1.293 -0.041 -9.401) 9.490 6.016 ( 2.357 -3.503 -7.192) 8.340 6.471 ( -1.490 10.726 0.042) 10.829 6.621 ( -9.692 4.806 -3.071) 11.246 7.001 ( -1.103 0.584 7.263) 7.369 7.220 ( 1.776 -10.199 6.183) 12.058 7.440 ( -4.367 4.185 -0.787) 6.100 7.644 ( 9.272 -3.703 1.303) 10.068 7.698 ( 7.815 3.044 4.092) 9.332 7.945 ( -7.039 -8.458 -5.071) 12.116 8.635 ( -10.027 0.818 -4.268) 10.929 8.680 ( -12.560 -0.775 -4.376) 13.322 9.219 ( 7.582 -0.219 1.321) 7.699 9.259 ( 7.839 -1.865 0.181) 8.060 9.933 ( -1.720 2.215 -1.851) 3.360 10.011 ( -1.408 -0.866 -3.351) 3.737 10.124 ( -1.013 -0.250 -1.532) 1.854 10.137 ( -0.839 0.002 -1.832) 2.015 11.271 ( 6.232 5.204 3.082) 8.685 11.408 ( 3.945 3.320 1.220) 5.299 11.574 ( 5.191 -0.606 0.948) 5.312 11.786 ( -1.197 -7.049 0.611) 7.176 12.736 ( 0.541 1.779 0.645) 1.968 12.841 ( -0.027 -1.781 -0.683) 1.908 13.015 ( -0.284 3.962 -1.018) 4.101 13.140 ( -3.732 -2.319 -0.603) 4.435 13.459 ( 1.088 4.222 2.480) 5.016 13.635 ( -4.602 -3.666 5.096) 7.784 13.954 ( 0.024 4.401 -1.447) 4.633 14.150 ( -2.575 -4.179 -6.115) 7.841 15.038 ( 0.081 2.336 8.081) 8.412 15.167 ( -2.041 -3.812 7.859) 8.970 15.415 ( -0.815 3.702 -5.330) 6.541 15.570 ( -4.337 -3.745 -8.953) 10.630 21.458 ( 2.700 3.403 -4.152) 6.009 21.546 ( -5.702 7.064 3.291) 9.656 21.626 ( 2.204 -2.298 -0.064) 3.185 21.904 ( -9.014 -7.828 3.758) 12.516 22.630 ( -0.884 1.506 0.840) 1.938 22.707 ( -1.549 -1.904 -0.892) 2.612 23.626 ( 7.306 1.653 -1.778) 7.699 23.735 ( 6.232 -3.566 -0.651) 7.210 23.872 ( 0.288 6.141 6.806) 9.172 24.019 ( -2.051 0.295 -0.324) 2.097 24.335 ( 1.478 0.578 -1.893) 2.470 24.432 ( -0.413 -2.385 -2.235) 3.295 25.092 ( 5.147 3.247 1.523) 6.273 25.168 ( 4.019 4.414 0.075) 5.971 25.365 ( 3.231 -6.023 1.136) 6.928 25.491 ( 0.950 -6.231 -3.019) 6.989 ======================= Grid point 261 (130/136) ======================= q-point: ( 0.45 0.33 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 198 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.700 ( 10.835 4.034 3.268) 12.014 1.821 ( 1.402 -1.312 1.801) 2.632 2.150 ( -1.157 5.601 1.206) 5.845 2.278 ( -8.411 1.651 -4.324) 9.600 2.455 ( 6.707 1.244 -4.519) 8.183 2.571 ( -8.442 1.110 1.293) 8.612 2.669 ( 6.461 -5.664 -3.332) 9.216 2.714 ( -5.769 -5.675 6.524) 10.395 2.972 ( 4.053 2.201 0.820) 4.685 3.016 ( -1.531 1.276 2.589) 3.268 3.443 ( 1.227 3.219 3.694) 5.051 3.496 ( 1.395 1.520 -3.211) 3.816 3.677 ( 0.948 -1.333 4.070) 4.386 3.715 ( -0.188 -4.297 -1.171) 4.457 4.053 ( 6.274 -2.384 3.025) 7.362 4.120 ( 5.312 -2.736 6.096) 8.536 4.303 ( -6.511 1.635 -3.524) 7.582 4.443 ( -9.572 -1.639 -6.999) 11.970 4.577 ( 2.108 6.317 2.945) 7.281 4.663 ( -1.257 4.063 -6.333) 7.628 4.983 ( 1.600 1.709 2.960) 3.774 5.009 ( 2.354 0.705 -2.013) 3.177 5.165 ( 8.382 3.578 2.584) 9.473 5.258 ( -3.228 0.087 -0.843) 3.337 5.414 ( 9.166 2.581 5.189) 10.844 5.472 ( 12.078 1.401 1.520) 12.254 5.702 ( -1.553 -1.399 6.956) 7.264 5.753 ( -3.860 3.965 -9.220) 10.754 5.827 ( 3.053 -5.196 2.688) 6.599 5.954 ( -1.695 -4.954 -7.771) 9.370 6.429 ( -2.315 3.356 -1.170) 4.242 6.444 ( -5.522 2.095 -1.499) 6.093 7.099 ( 3.621 2.160 8.418) 9.415 7.252 ( -3.739 -0.366 -5.848) 6.951 7.393 ( 3.797 -4.482 6.725) 8.929 7.599 ( -9.669 -9.021 -6.163) 14.589 7.984 ( 16.249 0.470 6.219) 17.405 8.025 ( 16.089 -1.122 0.872) 16.152 8.366 ( -14.433 0.157 -6.973) 16.030 8.376 ( -17.819 -0.303 -1.262) 17.866 9.339 ( 3.880 -0.495 1.674) 4.255 9.358 ( 3.137 -1.260 -0.545) 3.424 9.899 ( -0.846 1.443 0.328) 1.705 9.931 ( -2.532 0.223 -3.244) 4.121 10.107 ( 0.077 -0.803 0.009) 0.807 10.118 ( -0.250 -0.800 -1.065) 1.355 11.394 ( 4.212 5.989 2.349) 7.690 11.446 ( -0.076 5.941 -0.533) 5.966 11.677 ( 5.015 -3.720 1.017) 6.327 11.753 ( -2.996 -5.252 -0.259) 6.052 12.764 ( 1.604 2.093 1.409) 2.990 12.812 ( -1.912 0.879 -1.391) 2.522 13.022 ( 2.151 0.562 -0.425) 2.263 13.072 ( -3.553 -1.972 -0.100) 4.065 13.516 ( 3.027 2.094 1.456) 3.958 13.585 ( -4.553 -0.726 1.269) 4.783 13.977 ( 1.908 0.397 2.154) 2.905 14.051 ( -2.546 -2.569 -4.777) 5.992 15.127 ( 1.612 1.130 6.291) 6.592 15.189 ( -1.756 -1.687 1.346) 2.782 15.373 ( -0.381 1.220 0.633) 1.426 15.431 ( -1.808 -1.432 -7.868) 8.199 21.470 ( 3.144 3.635 -3.754) 6.098 21.495 ( -3.890 4.730 3.207) 6.913 21.687 ( 4.682 -3.597 0.097) 5.905 21.785 ( -7.302 -5.982 1.320) 9.531 22.644 ( 0.544 0.810 1.933) 2.165 22.675 ( -0.982 -0.595 -1.535) 1.917 23.703 ( 4.826 2.108 -2.809) 5.969 23.751 ( -2.716 0.877 0.924) 3.000 23.953 ( 2.890 -0.627 2.935) 4.166 24.004 ( -1.394 -1.522 0.535) 2.132 24.351 ( 1.959 1.182 -0.146) 2.292 24.394 ( -1.690 -0.307 -1.740) 2.445 25.172 ( 2.229 4.364 1.664) 5.175 25.199 ( 0.862 5.252 -1.510) 5.532 25.430 ( 2.111 -6.528 2.004) 7.147 25.472 ( -0.394 -6.171 -2.295) 6.596 ======================= Grid point 267 (131/136) ======================= q-point: ( 0.00 -0.50 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 68 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.283 ( 0.000 0.000 0.000) 0.000 1.283 ( -0.000 0.000 0.000) 0.000 1.603 ( -0.000 0.000 0.000) 0.000 1.603 ( 0.000 0.000 0.000) 0.000 1.947 ( -0.000 0.000 0.000) 0.000 1.947 ( 0.000 0.000 0.000) 0.000 2.578 ( -0.000 0.000 0.000) 0.000 2.578 ( 0.000 0.000 0.000) 0.000 2.610 ( -0.000 -0.000 -0.000) 0.000 2.610 ( -0.000 -0.000 0.000) 0.000 3.440 ( 0.000 -0.000 -0.000) 0.000 3.440 ( 0.000 0.000 0.000) 0.000 3.452 ( -0.000 -0.000 0.000) 0.000 3.452 ( -0.000 0.000 0.000) 0.000 3.608 ( -0.000 0.000 0.000) 0.000 3.608 ( 0.000 0.000 0.000) 0.000 3.984 ( -0.000 0.000 0.000) 0.000 3.984 ( 0.000 0.000 0.000) 0.000 4.249 ( -0.000 0.000 0.000) 0.000 4.249 ( -0.000 0.000 0.000) 0.000 4.702 ( -0.000 0.000 0.000) 0.000 4.702 ( -0.000 0.000 0.000) 0.000 4.847 ( 0.000 0.000 0.000) 0.000 4.847 ( 0.000 0.000 0.000) 0.000 5.507 ( -0.000 0.000 0.000) 0.000 5.507 ( -0.000 0.000 0.000) 0.000 5.575 ( 0.000 0.000 0.000) 0.000 5.575 ( 0.000 0.000 0.000) 0.000 6.412 ( 0.000 0.000 0.000) 0.000 6.412 ( -0.000 0.000 0.000) 0.000 7.035 ( 0.000 -0.000 0.000) 0.000 7.035 ( 0.000 0.000 0.000) 0.000 7.088 ( -0.000 -0.000 0.000) 0.000 7.088 ( -0.000 0.000 0.000) 0.000 7.658 ( 0.000 0.000 -0.000) 0.000 7.658 ( 0.000 0.000 0.000) 0.000 8.020 ( -0.000 0.000 0.000) 0.000 8.020 ( 0.000 0.000 0.000) 0.000 8.632 ( -0.000 0.000 0.000) 0.000 8.632 ( 0.000 0.000 0.000) 0.000 8.792 ( -0.000 0.000 0.000) 0.000 8.792 ( -0.000 0.000 0.000) 0.000 9.809 ( -0.000 0.000 0.000) 0.000 9.809 ( 0.000 0.000 0.000) 0.000 10.270 ( -0.000 0.000 0.000) 0.000 10.270 ( 0.000 0.000 0.000) 0.000 11.215 ( 0.000 0.000 0.000) 0.000 11.215 ( 0.000 0.000 0.000) 0.000 11.667 ( 0.000 0.000 0.000) 0.000 11.667 ( -0.000 0.000 0.000) 0.000 12.742 ( -0.000 0.000 0.000) 0.000 12.742 ( -0.000 0.000 0.000) 0.000 12.989 ( 0.000 0.000 0.000) 0.000 12.989 ( -0.000 0.000 0.000) 0.000 13.790 ( -0.000 0.000 0.000) 0.000 13.790 ( 0.000 0.000 0.000) 0.000 14.252 ( -0.000 0.000 0.000) 0.000 14.252 ( -0.000 0.000 0.000) 0.000 15.143 ( -0.000 0.000 0.000) 0.000 15.143 ( -0.000 0.000 0.000) 0.000 15.610 ( -0.000 0.000 0.000) 0.000 15.610 ( 0.000 0.000 0.000) 0.000 21.626 ( 0.000 0.000 -0.000) 0.000 21.626 ( 0.000 0.000 0.000) 0.000 21.977 ( 0.000 0.000 0.000) 0.000 21.977 ( -0.000 0.000 0.000) 0.000 22.977 ( -0.000 0.000 0.000) 0.000 22.977 ( -0.000 0.000 0.000) 0.000 23.318 ( -0.000 0.000 0.000) 0.000 23.318 ( 0.000 0.000 0.000) 0.000 23.503 ( 0.000 0.000 0.000) 0.000 23.503 ( 0.000 0.000 0.000) 0.000 24.480 ( 0.000 0.000 0.000) 0.000 24.480 ( -0.000 0.000 0.000) 0.000 24.574 ( 0.000 0.000 0.000) 0.000 24.574 ( 0.000 0.000 0.000) 0.000 25.485 ( 0.000 0.000 0.000) 0.000 25.485 ( -0.000 0.000 0.000) 0.000 ======================= Grid point 271 (132/136) ======================= q-point: ( 0.09 -0.50 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 132 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.386 ( 10.232 -11.130 -4.802) 15.863 1.386 ( 10.232 11.130 -4.802) 15.863 1.691 ( 4.740 -2.324 10.643) 11.880 1.691 ( 4.740 2.324 10.643) 11.880 2.040 ( 12.135 -7.657 -2.317) 14.534 2.040 ( 12.135 7.657 -2.317) 14.534 2.593 ( 2.514 -3.096 1.036) 4.120 2.593 ( 2.514 3.096 1.036) 4.120 2.802 ( 15.784 -6.908 4.927) 17.920 2.802 ( 15.784 6.908 4.927) 17.920 3.383 ( -3.395 -14.176 -1.608) 14.665 3.383 ( -3.395 14.176 -1.608) 14.665 3.470 ( 4.055 -10.717 -4.703) 12.386 3.470 ( 4.055 10.717 -4.703) 12.386 3.651 ( 1.043 -10.414 4.708) 11.476 3.651 ( 1.043 10.414 4.708) 11.476 3.989 ( 2.331 -4.767 -0.354) 5.319 3.989 ( 2.331 4.767 -0.354) 5.319 4.209 ( -1.512 -3.353 -5.527) 6.639 4.209 ( -1.512 3.353 -5.527) 6.639 4.692 ( 0.263 -6.266 -0.225) 6.275 4.692 ( 0.263 6.266 -0.225) 6.275 4.866 ( -1.545 -1.244 4.555) 4.968 4.866 ( -1.545 1.244 4.555) 4.968 5.494 ( 1.344 -5.154 -0.771) 5.382 5.494 ( 1.344 5.154 -0.771) 5.382 5.671 ( 6.859 -2.075 1.425) 7.306 5.671 ( 6.859 2.075 1.425) 7.306 6.386 ( -4.946 -3.366 -0.474) 6.001 6.386 ( -4.946 3.366 -0.474) 6.001 6.873 ( -9.499 -5.207 1.025) 10.881 6.873 ( -9.499 5.207 1.025) 10.881 7.101 ( -2.889 -3.161 -3.486) 5.522 7.101 ( -2.889 3.161 -3.486) 5.522 7.542 ( -8.302 -0.555 -0.429) 8.331 7.542 ( -8.302 0.555 -0.429) 8.331 8.092 ( 2.341 -4.573 0.953) 5.225 8.092 ( 2.341 4.573 0.953) 5.225 8.660 ( 5.446 -3.484 -0.321) 6.473 8.660 ( 5.446 3.484 -0.321) 6.473 8.854 ( 6.030 -4.456 -1.050) 7.571 8.854 ( 6.030 4.456 -1.050) 7.571 9.881 ( 6.378 -3.960 1.620) 7.680 9.881 ( 6.378 3.960 1.620) 7.680 10.243 ( -2.233 -2.542 -1.344) 3.640 10.243 ( -2.233 2.542 -1.344) 3.640 11.196 ( -0.722 -1.817 -1.806) 2.662 11.196 ( -0.722 1.817 -1.806) 2.662 11.649 ( -2.373 -5.137 1.030) 5.751 11.649 ( -2.373 5.137 1.030) 5.751 12.744 ( 0.925 -0.285 -1.042) 1.423 12.744 ( 0.925 0.285 -1.042) 1.423 13.024 ( 2.849 -2.987 1.320) 4.334 13.024 ( 2.849 2.987 1.320) 4.334 13.746 ( -4.441 -1.732 -0.515) 4.794 13.746 ( -4.441 1.732 -0.515) 4.794 14.244 ( -0.293 -3.509 -1.550) 3.847 14.244 ( -0.293 3.509 -1.550) 3.847 15.096 ( -6.066 -1.779 3.468) 7.211 15.096 ( -6.066 1.779 3.468) 7.211 15.644 ( 3.227 -6.072 -0.969) 6.944 15.644 ( 3.227 6.072 -0.969) 6.944 21.611 ( -0.231 -3.005 -2.456) 3.888 21.611 ( -0.231 3.005 -2.456) 3.888 21.966 ( -4.996 -4.990 5.937) 9.226 21.966 ( -4.996 4.990 5.937) 9.226 22.981 ( -4.400 -2.465 -0.165) 5.046 22.981 ( -4.400 2.465 -0.165) 5.046 23.185 ( -0.976 -0.839 -1.545) 2.011 23.185 ( -0.976 0.839 -1.545) 2.011 23.691 ( 11.983 -3.941 1.697) 12.728 23.691 ( 11.983 3.941 1.697) 12.728 24.447 ( -0.621 -3.157 -3.216) 4.548 24.447 ( -0.621 3.157 -3.216) 4.548 24.654 ( 6.615 -3.818 2.057) 7.910 24.654 ( 6.615 3.818 2.057) 7.910 25.463 ( -1.343 -3.050 -1.891) 3.832 25.463 ( -1.343 3.050 -1.891) 3.832 ======================= Grid point 273 (133/136) ======================= q-point: ( 0.18 -0.50 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 132 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.476 ( 6.177 -15.427 -3.955) 17.082 1.476 ( 6.177 15.427 -3.955) 17.082 1.931 ( 7.612 -3.712 13.692) 16.100 1.931 ( 7.612 3.712 13.692) 16.100 2.246 ( 12.810 -12.178 -5.539) 18.523 2.246 ( 12.810 12.178 -5.539) 18.523 2.668 ( 2.306 -1.102 4.916) 5.541 2.668 ( 2.306 1.102 4.916) 5.541 3.152 ( 14.174 -2.772 6.977) 16.039 3.152 ( 14.174 2.772 6.977) 16.039 3.305 ( -2.530 -11.789 -3.023) 12.431 3.305 ( -2.530 11.789 -3.023) 12.431 3.522 ( 6.955 -1.278 -2.603) 7.535 3.522 ( 6.955 1.278 -2.603) 7.535 3.726 ( 2.350 -10.022 0.550) 10.309 3.726 ( 2.350 10.022 0.550) 10.309 4.016 ( 4.280 -6.991 -2.225) 8.494 4.016 ( 4.280 6.991 -2.225) 8.494 4.232 ( 12.469 -2.362 -3.099) 13.064 4.232 ( 12.469 2.362 -3.099) 13.064 4.720 ( 1.744 -4.442 2.811) 5.538 4.720 ( 1.744 4.442 2.811) 5.538 4.866 ( -2.434 -3.228 3.235) 5.178 4.866 ( -2.434 3.228 3.235) 5.178 5.518 ( 0.926 -7.368 -0.843) 7.473 5.518 ( 0.926 7.368 -0.843) 7.473 5.798 ( 6.336 -5.410 0.111) 8.332 5.798 ( 6.336 5.410 0.111) 8.332 6.173 ( -15.103 -5.791 -4.980) 16.924 6.173 ( -15.103 5.791 -4.980) 16.924 6.844 ( -0.994 -3.732 6.408) 7.482 6.844 ( -0.994 3.732 6.408) 7.482 6.945 ( -7.004 -9.140 -3.694) 12.093 6.945 ( -7.004 9.140 -3.694) 12.093 7.445 ( -3.015 -0.957 0.612) 3.222 7.445 ( -3.015 0.957 0.612) 3.222 8.057 ( -5.736 -8.904 -0.324) 10.596 8.057 ( -5.736 8.904 -0.324) 10.596 8.798 ( 8.765 -1.552 -1.846) 9.091 8.798 ( 8.765 1.552 -1.846) 9.091 8.943 ( 5.622 -3.128 -0.767) 6.479 8.943 ( 5.622 3.128 -0.767) 6.479 10.003 ( 5.024 -4.745 -0.130) 6.912 10.003 ( 5.024 4.745 -0.130) 6.912 10.186 ( -1.804 -4.070 -1.481) 4.692 10.186 ( -1.804 4.070 -1.481) 4.692 11.181 ( 1.491 -3.406 -1.277) 3.932 11.181 ( 1.491 3.406 -1.277) 3.932 11.622 ( -1.671 -7.741 1.403) 8.043 11.622 ( -1.671 7.741 1.403) 8.043 12.754 ( 1.118 -1.663 -0.663) 2.111 12.754 ( 1.118 1.663 -0.663) 2.111 13.091 ( 3.045 -4.430 0.796) 5.434 13.091 ( 3.045 4.430 0.796) 5.434 13.648 ( -6.221 -3.595 0.503) 7.202 13.648 ( -6.221 3.595 0.503) 7.202 14.206 ( -1.551 -6.061 -3.135) 6.997 14.206 ( -1.551 6.061 -3.135) 6.997 15.042 ( -5.236 -3.375 6.399) 8.931 15.042 ( -5.236 3.375 6.399) 8.931 15.661 ( 0.549 -7.886 -3.394) 8.603 15.661 ( 0.549 7.886 -3.394) 8.603 21.578 ( 0.120 -4.462 -3.718) 5.809 21.578 ( 0.120 4.462 -3.718) 5.809 21.913 ( -8.898 -8.781 7.919) 14.799 21.913 ( -8.898 8.781 7.919) 14.799 22.824 ( -7.742 -2.336 -2.691) 8.523 22.824 ( -7.742 2.336 -2.691) 8.523 23.312 ( 10.742 -1.113 1.853) 10.957 23.312 ( 10.742 1.113 1.853) 10.957 23.875 ( 6.463 -7.754 2.938) 10.514 23.875 ( 6.463 7.754 2.938) 10.514 24.409 ( 0.218 -3.862 -3.842) 5.452 24.409 ( 0.218 3.862 -3.842) 5.452 24.820 ( 10.004 -2.840 1.733) 10.543 24.820 ( 10.004 2.840 1.733) 10.543 25.414 ( -1.135 -5.116 -3.008) 6.042 25.414 ( -1.135 5.116 -3.008) 6.042 ======================= Grid point 275 (134/136) ======================= q-point: ( 0.27 -0.50 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 132 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.549 ( 5.480 -12.885 -1.092) 14.045 1.549 ( 5.480 12.885 -1.092) 14.045 2.171 ( 5.678 -4.916 9.196) 11.873 2.171 ( 5.678 4.916 9.196) 11.873 2.362 ( 9.119 -6.600 -5.133) 12.372 2.362 ( 9.119 6.600 -5.133) 12.372 2.727 ( -3.337 -2.252 7.127) 8.185 2.727 ( -3.337 2.252 7.127) 8.185 3.173 ( -5.703 -8.580 -6.122) 11.984 3.173 ( -5.703 8.580 -6.122) 11.984 3.374 ( 0.750 -7.517 9.896) 12.450 3.374 ( 0.750 7.517 9.896) 12.450 3.639 ( 1.987 -2.332 -1.375) 3.358 3.639 ( 1.987 2.332 -1.375) 3.358 3.723 ( 7.097 -3.834 -1.524) 8.209 3.723 ( 7.097 3.834 -1.524) 8.209 4.282 ( 22.457 -7.009 1.832) 23.596 4.282 ( 22.457 7.009 1.832) 23.596 4.459 ( 15.106 -5.950 -4.784) 16.926 4.459 ( 15.106 5.950 -4.784) 16.926 4.807 ( 2.117 -3.959 6.469) 7.874 4.807 ( 2.117 3.959 6.469) 7.874 4.896 ( 4.663 -5.337 2.360) 7.469 4.896 ( 4.663 5.337 2.360) 7.469 5.485 ( -3.217 -6.336 -2.407) 7.502 5.485 ( -3.217 6.336 -2.407) 7.502 5.766 ( -13.766 -5.276 -1.699) 14.840 5.766 ( -13.766 5.276 -1.699) 14.840 5.953 ( 3.234 -1.121 -7.092) 7.874 5.953 ( 3.234 1.121 -7.092) 7.874 6.757 ( -5.921 -6.995 -1.201) 9.243 6.757 ( -5.921 6.995 -1.201) 9.243 6.974 ( 0.713 -4.812 7.413) 8.867 6.974 ( 0.713 4.812 7.413) 8.867 7.449 ( 2.745 -2.382 1.628) 3.982 7.449 ( 2.745 2.382 1.628) 3.982 7.920 ( -8.431 -10.818 -1.750) 13.827 7.920 ( -8.431 10.818 -1.750) 13.827 8.823 ( -2.509 -2.382 -4.201) 5.442 8.823 ( -2.509 2.382 -4.201) 5.442 9.073 ( 9.048 -0.754 0.433) 9.090 9.073 ( 9.048 0.754 0.433) 9.090 10.019 ( -0.272 -1.136 -2.657) 2.902 10.019 ( -0.272 1.136 -2.657) 2.902 10.165 ( -0.200 -1.486 -1.471) 2.101 10.165 ( -0.200 1.486 -1.471) 2.101 11.242 ( 5.651 -4.721 1.280) 7.474 11.242 ( 5.651 4.721 1.280) 7.474 11.625 ( 0.375 -7.901 1.120) 7.989 11.625 ( 0.375 7.901 1.120) 7.989 12.769 ( 0.905 -2.917 0.147) 3.058 12.769 ( 0.905 2.917 0.147) 3.058 13.122 ( 0.199 -4.571 -0.883) 4.660 13.122 ( 0.199 4.571 -0.883) 4.660 13.568 ( -4.400 -5.244 2.835) 7.409 13.568 ( -4.400 5.244 2.835) 7.409 14.134 ( -2.499 -6.692 -4.003) 8.189 14.134 ( -2.499 6.692 -4.003) 8.189 15.045 ( -2.655 -3.951 7.945) 9.262 15.045 ( -2.655 3.951 7.945) 9.262 15.598 ( -2.021 -6.505 -6.034) 9.100 15.598 ( -2.021 6.505 -6.034) 9.100 21.547 ( 0.839 -4.632 -4.099) 6.242 21.547 ( 0.839 4.632 -4.099) 6.242 21.825 ( -9.398 -10.426 7.017) 15.693 21.825 ( -9.398 10.426 7.017) 15.693 22.708 ( -3.522 -2.424 -1.271) 4.461 22.708 ( -3.522 2.424 -1.271) 4.461 23.516 ( 10.400 -2.267 1.019) 10.693 23.516 ( 10.400 2.267 1.019) 10.693 23.967 ( 0.547 -7.589 3.737) 8.477 23.967 ( 0.547 7.589 3.737) 8.477 24.382 ( 0.878 -3.913 -3.440) 5.283 24.382 ( 0.878 3.913 -3.440) 5.283 25.011 ( 9.648 -2.370 1.720) 10.083 25.011 ( 9.648 2.370 1.720) 10.083 25.377 ( 0.385 -5.866 -3.124) 6.657 25.377 ( 0.385 5.866 -3.124) 6.657 ======================= Grid point 277 (135/136) ======================= q-point: ( 0.36 -0.50 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 132 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.651 ( 6.260 -7.280 1.478) 9.714 1.651 ( 6.260 7.280 1.478) 9.714 2.282 ( 1.348 -5.467 2.208) 6.048 2.282 ( 1.348 5.467 2.208) 6.048 2.478 ( 6.964 -2.209 -3.653) 8.169 2.478 ( 6.964 2.209 -3.653) 8.169 2.696 ( -6.587 -5.187 5.141) 9.835 2.696 ( -6.587 5.187 5.141) 9.835 3.013 ( -5.262 -4.160 -0.859) 6.762 3.013 ( -5.262 4.160 -0.859) 6.762 3.468 ( 2.589 -3.812 3.251) 5.639 3.468 ( 2.589 3.812 3.251) 5.639 3.633 ( -0.449 -2.570 1.761) 3.148 3.633 ( -0.449 2.570 1.761) 3.148 3.877 ( 6.803 -2.380 4.202) 8.343 3.877 ( 6.803 2.380 4.202) 8.343 4.523 ( 3.674 -4.716 -3.442) 6.899 4.523 ( 3.674 4.716 -3.442) 6.899 4.672 ( 8.471 -2.925 -5.006) 10.265 4.672 ( 8.471 2.925 -5.006) 10.265 4.936 ( 7.387 -3.035 2.915) 8.502 4.936 ( 7.387 3.035 2.915) 8.502 5.039 ( 8.693 -9.832 6.583) 14.682 5.039 ( 8.693 9.832 6.583) 14.682 5.359 ( -5.629 -4.530 -0.770) 7.267 5.359 ( -5.629 4.530 -0.770) 7.267 5.635 ( 2.399 -7.820 -0.011) 8.179 5.635 ( 2.399 7.820 -0.011) 8.179 5.944 ( 1.912 -3.534 -7.860) 8.828 5.944 ( 1.912 3.534 -7.860) 8.828 6.637 ( -7.641 -4.359 -2.411) 9.121 6.637 ( -7.641 4.359 -2.411) 9.121 7.049 ( 1.448 -5.705 6.885) 9.058 7.049 ( 1.448 5.705 6.885) 9.058 7.544 ( 0.982 -5.848 2.089) 6.287 7.544 ( 0.982 5.848 2.089) 6.287 7.792 ( 0.851 -6.473 -1.585) 6.718 7.792 ( 0.851 6.473 -1.585) 6.719 8.658 ( -11.268 -1.324 -4.388) 12.165 8.658 ( -11.268 1.324 -4.388) 12.165 9.228 ( 7.952 -1.148 0.551) 8.053 9.228 ( 7.952 1.148 0.551) 8.053 9.978 ( -1.681 -2.285 -2.219) 3.602 9.978 ( -1.681 2.285 -2.219) 3.602 10.130 ( -1.157 -0.694 -2.241) 2.616 10.130 ( -1.157 0.694 -2.241) 2.616 11.378 ( 6.997 -4.905 2.523) 8.910 11.378 ( 6.997 4.905 2.523) 8.910 11.646 ( 0.821 -6.610 0.553) 6.683 11.646 ( 0.821 6.610 0.553) 6.683 12.787 ( 0.789 -3.129 0.576) 3.278 12.787 ( 0.789 3.129 0.576) 3.278 13.086 ( -2.290 -3.191 -1.471) 4.194 13.086 ( -2.290 3.191 -1.471) 4.194 13.550 ( -1.770 -4.739 3.553) 6.182 13.550 ( -1.770 4.739 3.553) 6.182 14.054 ( -2.122 -5.341 -3.598) 6.780 14.054 ( -2.122 5.341 -3.598) 6.780 15.095 ( -0.786 -3.379 7.839) 8.572 15.095 ( -0.786 3.379 7.839) 8.572 15.492 ( -2.367 -4.017 -7.029) 8.435 15.492 ( -2.367 4.017 -7.029) 8.435 21.532 ( 1.811 -3.941 -3.579) 5.623 21.532 ( 1.811 3.941 -3.579) 5.623 21.737 ( -7.483 -8.859 5.101) 12.669 21.737 ( -7.483 8.859 5.101) 12.669 22.666 ( -1.061 -2.105 0.133) 2.361 22.666 ( -1.061 2.105 0.133) 2.361 23.671 ( 7.291 -2.834 -1.082) 7.897 23.671 ( 7.291 2.834 -1.082) 7.897 23.979 ( -2.551 -4.211 3.332) 5.945 23.979 ( -2.551 4.211 3.332) 5.945 24.375 ( 1.144 -3.059 -1.864) 3.760 24.375 ( 1.144 3.059 -1.864) 3.760 25.169 ( 6.472 -4.064 1.751) 7.840 25.169 ( 6.472 4.064 1.751) 7.840 25.364 ( 1.163 -5.656 -2.631) 6.346 25.364 ( 1.163 5.656 -2.631) 6.346 ======================= Grid point 279 (136/136) ======================= q-point: ( 0.45 -0.50 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 132 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.780 ( 5.090 -3.320 2.243) 6.477 1.780 ( 5.090 3.320 2.243) 6.477 2.246 ( -4.446 -3.843 -1.273) 6.013 2.246 ( -4.446 3.843 -1.273) 6.013 2.536 ( 7.787 -6.483 -6.800) 12.203 2.536 ( 7.787 6.483 -6.800) 12.203 2.619 ( -8.245 -3.433 6.183) 10.863 2.619 ( -8.245 3.433 6.183) 10.863 3.012 ( 1.233 -1.530 2.353) 3.065 3.012 ( 1.233 1.530 2.353) 3.065 3.511 ( 1.463 -1.987 -1.250) 2.766 3.511 ( 1.463 1.987 -1.250) 2.766 3.653 ( -0.200 -0.855 2.364) 2.521 3.653 ( -0.200 0.855 2.364) 2.521 4.057 ( 8.349 -2.564 6.617) 10.957 4.057 ( 8.349 2.564 6.617) 10.957 4.373 ( -11.447 -4.559 -7.709) 14.534 4.373 ( -11.447 4.559 -7.709) 14.534 4.675 ( 1.161 -2.791 -0.826) 3.134 4.675 ( 1.161 2.791 -0.826) 3.134 5.013 ( 1.859 -0.785 -1.428) 2.472 5.013 ( 1.859 0.785 -1.428) 2.472 5.233 ( 1.433 -2.732 2.518) 3.982 5.233 ( 1.433 2.732 2.518) 3.982 5.463 ( 12.526 -2.571 5.948) 14.103 5.463 ( 12.526 2.571 5.948) 14.103 5.726 ( 2.749 -4.201 3.825) 6.311 5.726 ( 2.749 4.201 3.825) 6.311 5.850 ( -2.890 -5.402 -9.339) 11.169 5.850 ( -2.890 5.402 -9.339) 11.169 6.468 ( -6.227 -0.391 -2.482) 6.715 6.468 ( -6.227 0.391 -2.482) 6.715 7.172 ( 4.380 -5.270 5.757) 8.950 7.172 ( 4.380 5.270 5.757) 8.950 7.434 ( -7.183 -6.793 -3.326) 10.431 7.434 ( -7.183 6.793 -3.326) 10.431 8.001 ( 16.415 -1.199 3.350) 16.797 8.001 ( 16.415 1.199 3.350) 16.797 8.371 ( -16.228 -0.284 -4.107) 16.742 8.371 ( -16.228 0.284 -4.107) 16.742 9.339 ( 3.603 -0.520 0.477) 3.672 9.339 ( 3.603 0.520 0.477) 3.672 9.925 ( -1.713 -0.976 -1.209) 2.313 9.925 ( -1.713 0.976 -1.209) 2.313 10.103 ( -0.179 -0.446 -0.831) 0.960 10.103 ( -0.179 0.446 -0.831) 0.960 11.497 ( 3.595 -2.867 1.339) 4.789 11.497 ( 3.595 2.867 1.339) 4.789 11.654 ( -0.167 -3.411 -0.001) 3.415 11.654 ( -0.167 3.411 -0.001) 3.415 12.804 ( 0.462 -1.548 0.351) 1.653 12.804 ( 0.462 1.548 0.351) 1.653 13.039 ( -1.397 -1.267 -0.652) 1.995 13.039 ( -1.397 1.267 -0.652) 1.995 13.559 ( -0.496 -1.929 1.563) 2.532 13.559 ( -0.496 1.929 1.563) 2.532 14.002 ( -0.777 -2.112 -1.517) 2.715 14.002 ( -0.777 2.112 -1.517) 2.715 15.155 ( 0.048 -1.635 4.417) 4.710 15.155 ( 0.048 1.635 4.417) 4.710 15.401 ( -1.120 -1.552 -4.213) 4.627 15.401 ( -1.120 1.552 -4.213) 4.627 21.537 ( 1.516 -2.125 -1.778) 3.158 21.537 ( 1.516 2.125 -1.778) 3.158 21.675 ( -3.458 -4.031 2.242) 5.764 21.675 ( -3.458 4.031 2.242) 5.764 22.661 ( -0.152 -0.857 0.272) 0.912 22.661 ( -0.152 0.857 0.272) 0.912 23.743 ( 2.568 -1.626 -1.222) 3.276 23.743 ( 2.568 1.626 -1.222) 3.276 23.966 ( -1.378 -1.798 1.693) 2.828 23.966 ( -1.378 1.798 1.693) 2.828 24.378 ( 0.475 -1.291 -0.506) 1.466 24.378 ( 0.475 1.291 -0.506) 1.466 25.263 ( 2.531 -3.004 1.153) 4.094 25.263 ( 2.531 3.004 1.153) 4.094 25.357 ( 0.279 -3.476 -1.452) 3.778 25.357 ( 0.279 3.476 -1.452) 3.778 =================== 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 3/30888 10.0 251.512 196.627 203.004 0.000 51.380 0.000 3/30888 20.0 49.424 31.749 34.458 0.000 2.887 0.000 3/30888 30.0 20.844 12.048 13.860 0.000 0.444 0.000 3/30888 40.0 12.314 6.804 7.978 0.000 0.135 0.000 3/30888 50.0 8.679 4.666 5.500 0.000 0.074 0.000 3/30888 60.0 6.732 3.554 4.191 0.000 0.059 0.000 3/30888 70.0 5.528 2.881 3.393 0.000 0.054 0.000 3/30888 80.0 4.708 2.431 2.857 0.000 0.052 0.000 3/30888 90.0 4.113 2.108 2.474 0.000 0.051 0.000 3/30888 100.0 3.659 1.866 2.186 0.000 0.048 0.000 3/30888 110.0 3.300 1.677 1.961 0.000 0.046 0.000 3/30888 120.0 3.009 1.525 1.781 0.000 0.043 0.000 3/30888 130.0 2.768 1.400 1.634 0.000 0.040 0.000 3/30888 140.0 2.565 1.296 1.511 0.000 0.038 0.000 3/30888 150.0 2.391 1.207 1.406 0.000 0.035 0.000 3/30888 160.0 2.241 1.131 1.317 0.000 0.033 0.000 3/30888 170.0 2.110 1.065 1.239 0.000 0.031 0.000 3/30888 180.0 1.995 1.007 1.171 0.000 0.029 0.000 3/30888 190.0 1.892 0.956 1.110 0.000 0.027 0.000 3/30888 200.0 1.801 0.910 1.057 0.000 0.025 0.000 3/30888 210.0 1.718 0.869 1.008 0.000 0.024 0.000 3/30888 220.0 1.644 0.832 0.965 0.000 0.022 0.000 3/30888 230.0 1.576 0.798 0.925 0.000 0.021 0.000 3/30888 240.0 1.514 0.767 0.889 0.000 0.020 0.000 3/30888 250.0 1.457 0.739 0.855 0.000 0.019 0.000 3/30888 260.0 1.405 0.713 0.825 0.000 0.019 0.000 3/30888 270.0 1.356 0.689 0.796 0.000 0.018 0.000 3/30888 280.0 1.311 0.667 0.770 0.000 0.017 0.000 3/30888 290.0 1.269 0.646 0.745 0.000 0.017 0.000 3/30888 300.0 1.230 0.626 0.722 0.000 0.016 0.000 3/30888 310.0 1.193 0.608 0.701 0.000 0.016 0.000 3/30888 320.0 1.159 0.591 0.681 0.000 0.015 0.000 3/30888 330.0 1.127 0.575 0.662 0.000 0.015 0.000 3/30888 340.0 1.096 0.559 0.644 0.000 0.015 0.000 3/30888 350.0 1.067 0.545 0.627 0.000 0.014 0.000 3/30888 360.0 1.040 0.531 0.611 0.000 0.014 0.000 3/30888 370.0 1.014 0.518 0.595 0.000 0.014 0.000 3/30888 380.0 0.989 0.506 0.581 0.000 0.013 0.000 3/30888 390.0 0.966 0.494 0.567 0.000 0.013 0.000 3/30888 400.0 0.943 0.483 0.554 0.000 0.013 0.000 3/30888 410.0 0.922 0.472 0.542 0.000 0.013 0.000 3/30888 420.0 0.902 0.462 0.530 0.000 0.012 0.000 3/30888 430.0 0.882 0.452 0.518 0.000 0.012 0.000 3/30888 440.0 0.864 0.443 0.507 0.000 0.012 0.000 3/30888 450.0 0.846 0.434 0.497 0.000 0.012 0.000 3/30888 460.0 0.829 0.425 0.487 0.000 0.012 0.000 3/30888 470.0 0.812 0.417 0.477 0.000 0.011 0.000 3/30888 480.0 0.796 0.409 0.468 0.000 0.011 0.000 3/30888 490.0 0.781 0.402 0.459 0.000 0.011 0.000 3/30888 500.0 0.767 0.394 0.450 0.000 0.011 0.000 3/30888 510.0 0.753 0.387 0.442 0.000 0.011 0.000 3/30888 520.0 0.739 0.380 0.434 0.000 0.011 0.000 3/30888 530.0 0.726 0.373 0.426 0.000 0.010 0.000 3/30888 540.0 0.713 0.367 0.419 0.000 0.010 0.000 3/30888 550.0 0.701 0.361 0.411 0.000 0.010 0.000 3/30888 560.0 0.689 0.355 0.404 0.000 0.010 0.000 3/30888 570.0 0.678 0.349 0.398 0.000 0.010 0.000 3/30888 580.0 0.667 0.343 0.391 0.000 0.010 0.000 3/30888 590.0 0.656 0.338 0.385 0.000 0.010 0.000 3/30888 600.0 0.646 0.333 0.379 0.000 0.009 0.000 3/30888 610.0 0.636 0.328 0.373 0.000 0.009 0.000 3/30888 620.0 0.626 0.323 0.367 0.000 0.009 0.000 3/30888 630.0 0.616 0.318 0.362 0.000 0.009 0.000 3/30888 640.0 0.607 0.313 0.356 0.000 0.009 0.000 3/30888 650.0 0.598 0.309 0.351 0.000 0.009 0.000 3/30888 660.0 0.590 0.304 0.346 0.000 0.009 0.000 3/30888 670.0 0.581 0.300 0.341 0.000 0.009 0.000 3/30888 680.0 0.573 0.296 0.336 0.000 0.009 0.000 3/30888 690.0 0.565 0.292 0.332 0.000 0.008 0.000 3/30888 700.0 0.557 0.288 0.327 0.000 0.008 0.000 3/30888 710.0 0.550 0.284 0.323 0.000 0.008 0.000 3/30888 720.0 0.543 0.280 0.318 0.000 0.008 0.000 3/30888 730.0 0.535 0.277 0.314 0.000 0.008 0.000 3/30888 740.0 0.529 0.273 0.310 0.000 0.008 0.000 3/30888 750.0 0.522 0.270 0.306 0.000 0.008 0.000 3/30888 760.0 0.515 0.266 0.302 0.000 0.008 0.000 3/30888 770.0 0.509 0.263 0.298 0.000 0.008 0.000 3/30888 780.0 0.502 0.260 0.295 0.000 0.008 0.000 3/30888 790.0 0.496 0.257 0.291 0.000 0.008 0.000 3/30888 800.0 0.490 0.253 0.287 0.000 0.008 0.000 3/30888 810.0 0.484 0.250 0.284 0.000 0.007 0.000 3/30888 820.0 0.479 0.248 0.281 0.000 0.007 0.000 3/30888 830.0 0.473 0.245 0.277 0.000 0.007 0.000 3/30888 840.0 0.468 0.242 0.274 0.000 0.007 0.000 3/30888 850.0 0.462 0.239 0.271 0.000 0.007 0.000 3/30888 860.0 0.457 0.236 0.268 0.000 0.007 0.000 3/30888 870.0 0.452 0.234 0.265 0.000 0.007 0.000 3/30888 880.0 0.447 0.231 0.262 0.000 0.007 0.000 3/30888 890.0 0.442 0.229 0.259 0.000 0.007 0.000 3/30888 900.0 0.437 0.226 0.256 0.000 0.007 0.000 3/30888 910.0 0.433 0.224 0.254 0.000 0.007 0.000 3/30888 920.0 0.428 0.222 0.251 0.000 0.007 0.000 3/30888 930.0 0.424 0.219 0.248 0.000 0.007 0.000 3/30888 940.0 0.419 0.217 0.246 0.000 0.007 0.000 3/30888 950.0 0.415 0.215 0.243 0.000 0.006 0.000 3/30888 960.0 0.411 0.213 0.241 0.000 0.006 0.000 3/30888 970.0 0.407 0.211 0.238 0.000 0.006 0.000 3/30888 980.0 0.403 0.208 0.236 0.000 0.006 0.000 3/30888 990.0 0.399 0.206 0.234 0.000 0.006 0.000 3/30888 1000.0 0.395 0.204 0.231 0.000 0.006 0.000 3/30888 Thermal conductivity related properties were written into "kappa-m1166.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 02:30:31]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|