----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-08 02:24:49]------------------------- 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: [1 1 2] Primitive matrix: [-0.5 0.5 0.5] [ 0.5 -0.5 0.5] [ 0.5 0.5 -0.5] Spacegroup: Ibam (72) Number of symmetry operations in supercell: 32 ------------------------------ primitive cell ------------------------------ Lattice vectors: a -3.715462490000000 5.208488320000000 3.514984465000000 b 3.715462490000000 -5.208488320000000 3.514984465000000 c 3.715462490000000 5.208488320000000 -3.514984465000000 Atomic positions (fractional): *1 O 0.94103640679464 0.48879186187702 0.83466747057800 15.999 2 O 0.65412439129902 0.10636893621664 0.16533252942200 15.999 3 O 0.55896359320535 0.39363106378336 0.54775545508237 15.999 4 O 0.84587560870098 0.01120813812298 0.45224454491763 15.999 5 O 0.05896359320535 0.51120813812298 0.16533252942200 15.999 6 O 0.34587560870098 0.89363106378336 0.83466747057800 15.999 7 O 0.44103640679465 0.60636893621664 0.45224454491763 15.999 8 O 0.15412439129902 0.98879186187702 0.54775545508237 15.999 *9 O 0.66673894340930 0.49175709546070 0.15849603887000 15.999 10 O 0.33326105659070 0.50824290453930 0.84150396113000 15.999 11 O 0.83326105659070 0.99175709546070 0.82501815205140 15.999 12 O 0.16673894340930 0.00824290453930 0.17498184794860 15.999 *13 O 0.92862268668662 0.61150241459887 0.54012510128549 15.999 14 O 0.07137731331338 0.38849758540113 0.45987489871451 15.999 15 O 0.57137731331338 0.11150241459887 0.68287972791225 15.999 16 O 0.42862268668662 0.88849758540113 0.31712027208775 15.999 *17 Nb 0.26886556337779 0.74504955258689 0.01391511596468 92.906 18 Nb 0.73113443662221 0.25495044741311 0.98608488403532 92.906 19 Nb 0.23113443662221 0.24504955258689 0.47618398920909 92.906 20 Nb 0.76886556337779 0.75495044741311 0.52381601079091 92.906 *21 Nb 0.25000000000000 0.75000000000000 0.50000000000000 92.906 22 Nb 0.75000000000000 0.25000000000000 0.50000000000000 92.906 *23 Ag 0.25000000000000 0.25000000000000 0.00000000000000 107.868 24 Ag 0.75000000000000 0.75000000000000 0.00000000000000 107.868 -------------------------------- unit cell --------------------------------- Lattice vectors: a 7.430924980000000 0.000000000000000 0.000000000000000 b 0.000000000000000 10.416976640000000 0.000000000000000 c 0.000000000000000 0.000000000000000 7.029968929999999 Atomic positions (fractional): *1 O 0.19121146283019 0.64345600774781 0.29758039904683 15.999 > 1 2 O 0.80878853716981 0.35654399225219 0.29758039904683 15.999 > 2 3 O 0.19121146283019 0.35654399225219 0.20241960095317 15.999 > 3 4 O 0.80878853716981 0.64345600774781 0.20241960095317 15.999 > 4 5 O 0.80878853716981 0.35654399225219 0.70241960095317 15.999 > 5 6 O 0.19121146283019 0.64345600774781 0.70241960095317 15.999 > 6 7 O 0.80878853716981 0.64345600774781 0.79758039904683 15.999 > 7 8 O 0.19121146283019 0.35654399225219 0.79758039904683 15.999 > 8 *9 O 0.99175709546070 0.16673894340930 0.50000000000000 15.999 > 9 10 O 0.00824290453930 0.83326105659070 0.50000000000000 15.999 > 10 11 O 0.99175709546070 0.83326105659070 0.00000000000000 15.999 > 11 12 O 0.00824290453930 0.16673894340930 0.00000000000000 15.999 > 12 *13 O 0.11150241459887 0.42862268668662 0.50000000000000 15.999 > 13 14 O 0.88849758540113 0.57137731331338 0.50000000000000 15.999 > 14 15 O 0.11150241459887 0.57137731331338 0.00000000000000 15.999 > 15 16 O 0.88849758540113 0.42862268668662 0.00000000000000 15.999 > 16 17 O 0.69121146283019 0.14345600774782 0.79758039904683 15.999 > 1 18 O 0.30878853716981 0.85654399225219 0.79758039904683 15.999 > 2 19 O 0.69121146283019 0.85654399225219 0.70241960095317 15.999 > 3 20 O 0.30878853716981 0.14345600774782 0.70241960095317 15.999 > 4 21 O 0.30878853716981 0.85654399225219 0.20241960095317 15.999 > 5 22 O 0.69121146283019 0.14345600774782 0.20241960095317 15.999 > 6 23 O 0.30878853716981 0.14345600774782 0.29758039904683 15.999 > 7 24 O 0.69121146283019 0.85654399225219 0.29758039904683 15.999 > 8 25 O 0.49175709546070 0.66673894340930 0.00000000000000 15.999 > 9 26 O 0.50824290453930 0.33326105659070 0.00000000000000 15.999 > 10 27 O 0.49175709546070 0.33326105659070 0.50000000000000 15.999 > 11 28 O 0.50824290453930 0.66673894340930 0.50000000000000 15.999 > 12 29 O 0.61150241459887 0.92862268668662 0.00000000000000 15.999 > 13 30 O 0.38849758540113 0.07137731331338 0.00000000000000 15.999 > 14 31 O 0.61150241459887 0.07137731331338 0.50000000000000 15.999 > 15 32 O 0.38849758540113 0.92862268668662 0.50000000000000 15.999 > 16 *33 Nb 0.74504955258689 0.26886556337779 0.00000000000000 92.906 > 17 34 Nb 0.25495044741311 0.73113443662221 0.00000000000000 92.906 > 18 35 Nb 0.74504955258689 0.73113443662221 0.50000000000000 92.906 > 19 36 Nb 0.25495044741311 0.26886556337779 0.50000000000000 92.906 > 20 *37 Nb 0.00000000000000 0.50000000000000 0.75000000000000 92.906 > 21 38 Nb 0.00000000000000 0.50000000000000 0.25000000000000 92.906 > 22 39 Nb 0.24504955258689 0.76886556337779 0.50000000000000 92.906 > 17 40 Nb 0.75495044741311 0.23113443662221 0.50000000000000 92.906 > 18 41 Nb 0.24504955258689 0.23113443662221 0.00000000000000 92.906 > 19 42 Nb 0.75495044741311 0.76886556337779 0.00000000000000 92.906 > 20 43 Nb 0.50000000000000 0.00000000000000 0.25000000000000 92.906 > 21 44 Nb 0.50000000000000 0.00000000000000 0.75000000000000 92.906 > 22 *45 Ag 0.00000000000000 0.00000000000000 0.25000000000000 107.868 > 23 46 Ag 0.00000000000000 0.00000000000000 0.75000000000000 107.868 > 24 47 Ag 0.50000000000000 0.50000000000000 0.75000000000000 107.868 > 23 48 Ag 0.50000000000000 0.50000000000000 0.25000000000000 107.868 > 24 -------------------------------- super cell -------------------------------- Lattice vectors: a 7.430924980000000 0.000000000000000 0.000000000000000 b 0.000000000000000 10.416976640000000 0.000000000000000 c 0.000000000000000 0.000000000000000 14.059937859999998 Atomic positions (fractional): *1 O 0.19121146283019 0.64345600774781 0.14879019952341 15.999 > 1 2 O 0.19121146283019 0.64345600774781 0.64879019952341 15.999 > 1 3 O 0.80878853716981 0.35654399225219 0.14879019952341 15.999 > 2 4 O 0.80878853716981 0.35654399225219 0.64879019952341 15.999 > 2 5 O 0.19121146283019 0.35654399225219 0.10120980047658 15.999 > 3 6 O 0.19121146283019 0.35654399225219 0.60120980047658 15.999 > 3 7 O 0.80878853716981 0.64345600774781 0.10120980047658 15.999 > 4 8 O 0.80878853716981 0.64345600774781 0.60120980047658 15.999 > 4 9 O 0.80878853716981 0.35654399225219 0.35120980047658 15.999 > 5 10 O 0.80878853716981 0.35654399225219 0.85120980047658 15.999 > 5 11 O 0.19121146283019 0.64345600774781 0.35120980047658 15.999 > 6 12 O 0.19121146283019 0.64345600774781 0.85120980047658 15.999 > 6 13 O 0.80878853716981 0.64345600774781 0.39879019952342 15.999 > 7 14 O 0.80878853716981 0.64345600774781 0.89879019952342 15.999 > 7 15 O 0.19121146283019 0.35654399225219 0.39879019952342 15.999 > 8 16 O 0.19121146283019 0.35654399225219 0.89879019952342 15.999 > 8 *17 O 0.99175709546070 0.16673894340930 0.25000000000000 15.999 > 9 18 O 0.99175709546070 0.16673894340930 0.75000000000000 15.999 > 9 19 O 0.00824290453930 0.83326105659070 0.25000000000000 15.999 > 10 20 O 0.00824290453930 0.83326105659070 0.75000000000000 15.999 > 10 21 O 0.99175709546070 0.83326105659070 0.00000000000000 15.999 > 11 22 O 0.99175709546070 0.83326105659070 0.50000000000000 15.999 > 11 23 O 0.00824290453930 0.16673894340930 0.00000000000000 15.999 > 12 24 O 0.00824290453930 0.16673894340930 0.50000000000000 15.999 > 12 *25 O 0.11150241459887 0.42862268668662 0.25000000000000 15.999 > 13 26 O 0.11150241459887 0.42862268668662 0.75000000000000 15.999 > 13 27 O 0.88849758540113 0.57137731331338 0.25000000000000 15.999 > 14 28 O 0.88849758540113 0.57137731331338 0.75000000000000 15.999 > 14 29 O 0.11150241459887 0.57137731331338 0.00000000000000 15.999 > 15 30 O 0.11150241459887 0.57137731331338 0.50000000000000 15.999 > 15 31 O 0.88849758540113 0.42862268668662 0.00000000000000 15.999 > 16 32 O 0.88849758540113 0.42862268668662 0.50000000000000 15.999 > 16 33 O 0.69121146283019 0.14345600774782 0.39879019952342 15.999 > 1 34 O 0.69121146283019 0.14345600774782 0.89879019952342 15.999 > 1 35 O 0.30878853716981 0.85654399225219 0.39879019952342 15.999 > 2 36 O 0.30878853716981 0.85654399225219 0.89879019952342 15.999 > 2 37 O 0.69121146283019 0.85654399225219 0.35120980047658 15.999 > 3 38 O 0.69121146283019 0.85654399225219 0.85120980047658 15.999 > 3 39 O 0.30878853716981 0.14345600774782 0.35120980047658 15.999 > 4 40 O 0.30878853716981 0.14345600774782 0.85120980047658 15.999 > 4 41 O 0.30878853716981 0.85654399225219 0.10120980047658 15.999 > 5 42 O 0.30878853716981 0.85654399225219 0.60120980047658 15.999 > 5 43 O 0.69121146283019 0.14345600774782 0.10120980047658 15.999 > 6 44 O 0.69121146283019 0.14345600774782 0.60120980047658 15.999 > 6 45 O 0.30878853716981 0.14345600774782 0.14879019952341 15.999 > 7 46 O 0.30878853716981 0.14345600774782 0.64879019952341 15.999 > 7 47 O 0.69121146283019 0.85654399225219 0.14879019952341 15.999 > 8 48 O 0.69121146283019 0.85654399225219 0.64879019952341 15.999 > 8 49 O 0.49175709546070 0.66673894340930 0.00000000000000 15.999 > 9 50 O 0.49175709546070 0.66673894340930 0.50000000000000 15.999 > 9 51 O 0.50824290453930 0.33326105659070 0.00000000000000 15.999 > 10 52 O 0.50824290453930 0.33326105659070 0.50000000000000 15.999 > 10 53 O 0.49175709546070 0.33326105659070 0.25000000000000 15.999 > 11 54 O 0.49175709546070 0.33326105659070 0.75000000000000 15.999 > 11 55 O 0.50824290453930 0.66673894340930 0.25000000000000 15.999 > 12 56 O 0.50824290453930 0.66673894340930 0.75000000000000 15.999 > 12 57 O 0.61150241459887 0.92862268668662 0.00000000000000 15.999 > 13 58 O 0.61150241459887 0.92862268668662 0.50000000000000 15.999 > 13 59 O 0.38849758540113 0.07137731331338 0.00000000000000 15.999 > 14 60 O 0.38849758540113 0.07137731331338 0.50000000000000 15.999 > 14 61 O 0.61150241459887 0.07137731331338 0.25000000000000 15.999 > 15 62 O 0.61150241459887 0.07137731331338 0.75000000000000 15.999 > 15 63 O 0.38849758540113 0.92862268668662 0.25000000000000 15.999 > 16 64 O 0.38849758540113 0.92862268668662 0.75000000000000 15.999 > 16 *65 Nb 0.74504955258689 0.26886556337779 0.00000000000000 92.906 > 17 66 Nb 0.74504955258689 0.26886556337779 0.50000000000000 92.906 > 17 67 Nb 0.25495044741311 0.73113443662221 0.00000000000000 92.906 > 18 68 Nb 0.25495044741311 0.73113443662221 0.50000000000000 92.906 > 18 69 Nb 0.74504955258689 0.73113443662221 0.25000000000000 92.906 > 19 70 Nb 0.74504955258689 0.73113443662221 0.75000000000000 92.906 > 19 71 Nb 0.25495044741311 0.26886556337779 0.25000000000000 92.906 > 20 72 Nb 0.25495044741311 0.26886556337779 0.75000000000000 92.906 > 20 *73 Nb 0.00000000000000 0.50000000000000 0.37500000000000 92.906 > 21 74 Nb 0.00000000000000 0.50000000000000 0.87500000000000 92.906 > 21 75 Nb 0.00000000000000 0.50000000000000 0.12500000000000 92.906 > 22 76 Nb 0.00000000000000 0.50000000000000 0.62500000000000 92.906 > 22 77 Nb 0.24504955258689 0.76886556337779 0.25000000000000 92.906 > 17 78 Nb 0.24504955258689 0.76886556337779 0.75000000000000 92.906 > 17 79 Nb 0.75495044741311 0.23113443662221 0.25000000000000 92.906 > 18 80 Nb 0.75495044741311 0.23113443662221 0.75000000000000 92.906 > 18 81 Nb 0.24504955258689 0.23113443662221 0.00000000000000 92.906 > 19 82 Nb 0.24504955258689 0.23113443662221 0.50000000000000 92.906 > 19 83 Nb 0.75495044741311 0.76886556337779 0.00000000000000 92.906 > 20 84 Nb 0.75495044741311 0.76886556337779 0.50000000000000 92.906 > 20 85 Nb 0.50000000000000 0.00000000000000 0.12500000000000 92.906 > 21 86 Nb 0.50000000000000 0.00000000000000 0.62500000000000 92.906 > 21 87 Nb 0.50000000000000 0.00000000000000 0.37500000000000 92.906 > 22 88 Nb 0.50000000000000 0.00000000000000 0.87500000000000 92.906 > 22 *89 Ag 0.00000000000000 0.00000000000000 0.12500000000000 107.868 > 23 90 Ag 0.00000000000000 0.00000000000000 0.62500000000000 107.868 > 23 91 Ag 0.00000000000000 0.00000000000000 0.37500000000000 107.868 > 24 92 Ag 0.00000000000000 0.00000000000000 0.87500000000000 107.868 > 24 93 Ag 0.50000000000000 0.50000000000000 0.37500000000000 107.868 > 23 94 Ag 0.50000000000000 0.50000000000000 0.87500000000000 107.868 > 23 95 Ag 0.50000000000000 0.50000000000000 0.12500000000000 107.868 > 24 96 Ag 0.50000000000000 0.50000000000000 0.62500000000000 107.868 > 24 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 7.7828828 0.0000000 0.0000000 0.0000000 8.0083964 0.0000000 0.0000000 0.0000000 7.3268289 -------------------------- Born effective charges -------------------------- 1 O -2.3835775 -1.2653931 -0.3465859 -1.4963768 -3.5517372 -1.1819191 -0.5598205 -1.2533375 -3.1891028 2 O -2.3835775 -1.2653931 0.3465859 -1.4963768 -3.5517372 1.1819191 0.5598205 1.2533375 -3.1891028 3 O -2.3835775 1.2653931 0.3465859 1.4963768 -3.5517372 -1.1819191 0.5598205 -1.2533375 -3.1891028 4 O -2.3835775 1.2653931 -0.3465859 1.4963768 -3.5517372 1.1819191 -0.5598205 1.2533375 -3.1891028 5 O -2.3835775 -1.2653931 -0.3465859 -1.4963768 -3.5517372 -1.1819191 -0.5598205 -1.2533375 -3.1891028 6 O -2.3835775 -1.2653931 0.3465859 -1.4963768 -3.5517372 1.1819191 0.5598205 1.2533375 -3.1891028 7 O -2.3835775 1.2653931 0.3465859 1.4963768 -3.5517372 -1.1819191 0.5598205 -1.2533375 -3.1891028 8 O -2.3835775 1.2653931 -0.3465859 1.4963768 -3.5517372 1.1819191 -0.5598205 1.2533375 -3.1891028 9 O -5.1732041 0.0631267 0.0000000 0.6429853 -1.6931533 0.0000000 0.0000000 0.0000000 -1.4670353 10 O -5.1732041 0.0631267 0.0000000 0.6429853 -1.6931533 0.0000000 0.0000000 0.0000000 -1.4670353 11 O -5.1732041 -0.0631267 0.0000000 -0.6429853 -1.6931533 0.0000000 0.0000000 0.0000000 -1.4670353 12 O -5.1732041 -0.0631267 0.0000000 -0.6429853 -1.6931533 0.0000000 0.0000000 0.0000000 -1.4670353 13 O -2.0723610 1.4727464 0.0000000 1.4263964 -2.7393781 0.0000000 0.0000000 0.0000000 -2.7408058 14 O -2.0723610 1.4727464 0.0000000 1.4263964 -2.7393781 0.0000000 0.0000000 0.0000000 -2.7408058 15 O -2.0723610 -1.4727464 0.0000000 -1.4263964 -2.7393781 0.0000000 0.0000000 0.0000000 -2.7408058 16 O -2.0723610 -1.4727464 0.0000000 -1.4263964 -2.7393781 0.0000000 0.0000000 0.0000000 -2.7408058 17 Nb 7.7848913 0.4157546 0.0000000 1.0250066 6.4782371 0.0000000 0.0000000 0.0000000 6.5834831 18 Nb 7.7848913 0.4157546 0.0000000 1.0250066 6.4782371 0.0000000 0.0000000 0.0000000 6.5834831 19 Nb 7.7848913 -0.4157546 0.0000000 -1.0250066 6.4782371 0.0000000 0.0000000 0.0000000 6.5834831 20 Nb 7.7848913 -0.4157546 0.0000000 -1.0250066 6.4782371 0.0000000 0.0000000 0.0000000 6.5834831 21 Nb 6.8585358 0.0000000 0.0000000 0.0000000 8.4244655 0.0000000 0.0000000 0.0000000 6.6733580 22 Nb 6.8585358 0.0000000 0.0000000 0.0000000 8.4244655 0.0000000 0.0000000 0.0000000 6.6733580 23 Ag 1.5971217 0.0000000 0.0000000 0.0000000 1.6910720 0.0000000 0.0000000 0.0000000 1.3317693 24 Ag 1.5971217 0.0000000 0.0000000 0.0000000 1.6910720 0.0000000 0.0000000 0.0000000 1.3317693 ---------------------------------------------------------------------------- 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: 288/288 Permutation basis: 13104/13104 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 1430 Number of blocks in projector: 1430 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: 324 Use standard eigh solver. --- Eigsh_solver_block: 2 / 6 --- Block_size: 244 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 244 Use standard eigh solver. --- Eigsh_solver_block: 4 / 6 --- Block_size: 206 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 206 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 206 Use standard eigh solver. Tree of FC basis block matrices: - (1430, 1400), data: False |-- (206, 200), data: True |-- (206, 200), data: True |-- (206, 200), data: True |-- (244, 242), data: True |-- (244, 242), data: True |-- (324, 316), data: True ----- Solver_atoms: 1 -- 96 / 96 Time (Solver_compr_matrix_reshape): 0.002 Solver_block: 100 / 400 - Time: 1.581 Solver_block: 200 / 400 - Time: 1.590 Solver_block: 300 / 400 - Time: 1.592 Solver_block: 400 / 400 - Time: 1.593 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 6.389 --------------------------------- Symfc end -------------------------------- Max drift of force constants: -0.00000000 (xx) -0.00000000 (xx) Permutation basis: 288/288 Permutation basis: 13104/13104 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 1430 Number of blocks in projector: 1430 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: 324 Use standard eigh solver. --- Eigsh_solver_block: 2 / 6 --- Block_size: 244 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 244 Use standard eigh solver. --- Eigsh_solver_block: 4 / 6 --- Block_size: 206 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 206 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 206 Use standard eigh solver. Tree of FC basis block matrices: - (1430, 1400), data: False |-- (206, 200), data: True |-- (206, 200), data: True |-- (206, 200), data: True |-- (244, 242), data: True |-- (244, 242), data: True |-- (324, 316), data: True Max drift after symmetrization by symfc projector: -0.00000000 (zz) -0.00000000 (zz) Force constants are written into "force_constants.hdf5". ---------------------------------------------------------------------------- One of the following run modes may be specified for phonon calculations. - Mesh sampling (MESH, --mesh) - Q-points (QPOINTS, --qpoints) - Band structure (BAND, --band) - Animation (ANIME, --anime) - Modulation (MODULATION, --modulation) - Characters of Irreps (IRREPS, --irreps) - Create displacements (CREATE_DISPLACEMENTS, -d) ---------------------------------------------------------------------------- Summary of calculation was written in "phonopy.yaml". -------------------------[time 2026-01-08 02:25:10]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 02:25:10]------------------------- 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): [1 1 2] Primitive matrix: [-0.5 0.5 0.5] [ 0.5 -0.5 0.5] [ 0.5 0.5 -0.5] Spacegroup: Ibam (72) ------------------------------ primitive cell ------------------------------ Lattice vectors: a -3.715462490000000 5.208488320000000 3.514984465000000 b 3.715462490000000 -5.208488320000000 3.514984465000000 c 3.715462490000000 5.208488320000000 -3.514984465000000 Atomic positions (fractional): 1 O 0.94103640679464 0.48879186187702 0.83466747057800 15.999 2 O 0.65412439129902 0.10636893621664 0.16533252942200 15.999 3 O 0.55896359320535 0.39363106378336 0.54775545508237 15.999 4 O 0.84587560870098 0.01120813812298 0.45224454491763 15.999 5 O 0.05896359320535 0.51120813812298 0.16533252942200 15.999 6 O 0.34587560870098 0.89363106378336 0.83466747057800 15.999 7 O 0.44103640679465 0.60636893621664 0.45224454491763 15.999 8 O 0.15412439129902 0.98879186187702 0.54775545508237 15.999 9 O 0.66673894340930 0.49175709546070 0.15849603887000 15.999 10 O 0.33326105659070 0.50824290453930 0.84150396113000 15.999 11 O 0.83326105659070 0.99175709546070 0.82501815205140 15.999 12 O 0.16673894340930 0.00824290453930 0.17498184794860 15.999 13 O 0.92862268668662 0.61150241459887 0.54012510128549 15.999 14 O 0.07137731331338 0.38849758540113 0.45987489871451 15.999 15 O 0.57137731331338 0.11150241459887 0.68287972791225 15.999 16 O 0.42862268668662 0.88849758540113 0.31712027208775 15.999 17 Nb 0.26886556337779 0.74504955258689 0.01391511596468 92.906 18 Nb 0.73113443662221 0.25495044741311 0.98608488403532 92.906 19 Nb 0.23113443662221 0.24504955258689 0.47618398920909 92.906 20 Nb 0.76886556337779 0.75495044741311 0.52381601079091 92.906 21 Nb 0.25000000000000 0.75000000000000 0.50000000000000 92.906 22 Nb 0.75000000000000 0.25000000000000 0.50000000000000 92.906 23 Ag 0.25000000000000 0.25000000000000 0.00000000000000 107.868 24 Ag 0.75000000000000 0.75000000000000 0.00000000000000 107.868 -------------------------------- supercell --------------------------------- Lattice vectors: a 7.430924980000000 0.000000000000000 0.000000000000000 b 0.000000000000000 10.416976640000000 0.000000000000000 c 0.000000000000000 0.000000000000000 14.059937859999998 Atomic positions (fractional): 1 O 0.19121146283019 0.64345600774781 0.14879019952341 15.999 > 1 2 O 0.19121146283019 0.64345600774781 0.64879019952341 15.999 > 1 3 O 0.80878853716981 0.35654399225219 0.14879019952341 15.999 > 3 4 O 0.80878853716981 0.35654399225219 0.64879019952341 15.999 > 3 5 O 0.19121146283019 0.35654399225219 0.10120980047658 15.999 > 5 6 O 0.19121146283019 0.35654399225219 0.60120980047658 15.999 > 5 7 O 0.80878853716981 0.64345600774781 0.10120980047658 15.999 > 7 8 O 0.80878853716981 0.64345600774781 0.60120980047658 15.999 > 7 9 O 0.80878853716981 0.35654399225219 0.35120980047658 15.999 > 9 10 O 0.80878853716981 0.35654399225219 0.85120980047658 15.999 > 9 11 O 0.19121146283019 0.64345600774781 0.35120980047658 15.999 > 11 12 O 0.19121146283019 0.64345600774781 0.85120980047658 15.999 > 11 13 O 0.80878853716981 0.64345600774781 0.39879019952342 15.999 > 13 14 O 0.80878853716981 0.64345600774781 0.89879019952342 15.999 > 13 15 O 0.19121146283019 0.35654399225219 0.39879019952342 15.999 > 15 16 O 0.19121146283019 0.35654399225219 0.89879019952342 15.999 > 15 17 O 0.99175709546070 0.16673894340930 0.25000000000000 15.999 > 17 18 O 0.99175709546070 0.16673894340930 0.75000000000000 15.999 > 17 19 O 0.00824290453930 0.83326105659070 0.25000000000000 15.999 > 19 20 O 0.00824290453930 0.83326105659070 0.75000000000000 15.999 > 19 21 O 0.99175709546070 0.83326105659070 0.00000000000000 15.999 > 21 22 O 0.99175709546070 0.83326105659070 0.50000000000000 15.999 > 21 23 O 0.00824290453930 0.16673894340930 0.00000000000000 15.999 > 23 24 O 0.00824290453930 0.16673894340930 0.50000000000000 15.999 > 23 25 O 0.11150241459887 0.42862268668662 0.25000000000000 15.999 > 25 26 O 0.11150241459887 0.42862268668662 0.75000000000000 15.999 > 25 27 O 0.88849758540113 0.57137731331338 0.25000000000000 15.999 > 27 28 O 0.88849758540113 0.57137731331338 0.75000000000000 15.999 > 27 29 O 0.11150241459887 0.57137731331338 0.00000000000000 15.999 > 29 30 O 0.11150241459887 0.57137731331338 0.50000000000000 15.999 > 29 31 O 0.88849758540113 0.42862268668662 0.00000000000000 15.999 > 31 32 O 0.88849758540113 0.42862268668662 0.50000000000000 15.999 > 31 33 O 0.69121146283019 0.14345600774782 0.39879019952342 15.999 > 1 34 O 0.69121146283019 0.14345600774782 0.89879019952342 15.999 > 1 35 O 0.30878853716981 0.85654399225219 0.39879019952342 15.999 > 3 36 O 0.30878853716981 0.85654399225219 0.89879019952342 15.999 > 3 37 O 0.69121146283019 0.85654399225219 0.35120980047658 15.999 > 5 38 O 0.69121146283019 0.85654399225219 0.85120980047658 15.999 > 5 39 O 0.30878853716981 0.14345600774782 0.35120980047658 15.999 > 7 40 O 0.30878853716981 0.14345600774782 0.85120980047658 15.999 > 7 41 O 0.30878853716981 0.85654399225219 0.10120980047658 15.999 > 9 42 O 0.30878853716981 0.85654399225219 0.60120980047658 15.999 > 9 43 O 0.69121146283019 0.14345600774782 0.10120980047658 15.999 > 11 44 O 0.69121146283019 0.14345600774782 0.60120980047658 15.999 > 11 45 O 0.30878853716981 0.14345600774782 0.14879019952341 15.999 > 13 46 O 0.30878853716981 0.14345600774782 0.64879019952341 15.999 > 13 47 O 0.69121146283019 0.85654399225219 0.14879019952341 15.999 > 15 48 O 0.69121146283019 0.85654399225219 0.64879019952341 15.999 > 15 49 O 0.49175709546070 0.66673894340930 0.00000000000000 15.999 > 17 50 O 0.49175709546070 0.66673894340930 0.50000000000000 15.999 > 17 51 O 0.50824290453930 0.33326105659070 0.00000000000000 15.999 > 19 52 O 0.50824290453930 0.33326105659070 0.50000000000000 15.999 > 19 53 O 0.49175709546070 0.33326105659070 0.25000000000000 15.999 > 21 54 O 0.49175709546070 0.33326105659070 0.75000000000000 15.999 > 21 55 O 0.50824290453930 0.66673894340930 0.25000000000000 15.999 > 23 56 O 0.50824290453930 0.66673894340930 0.75000000000000 15.999 > 23 57 O 0.61150241459887 0.92862268668662 0.00000000000000 15.999 > 25 58 O 0.61150241459887 0.92862268668662 0.50000000000000 15.999 > 25 59 O 0.38849758540113 0.07137731331338 0.00000000000000 15.999 > 27 60 O 0.38849758540113 0.07137731331338 0.50000000000000 15.999 > 27 61 O 0.61150241459887 0.07137731331338 0.25000000000000 15.999 > 29 62 O 0.61150241459887 0.07137731331338 0.75000000000000 15.999 > 29 63 O 0.38849758540113 0.92862268668662 0.25000000000000 15.999 > 31 64 O 0.38849758540113 0.92862268668662 0.75000000000000 15.999 > 31 65 Nb 0.74504955258689 0.26886556337779 0.00000000000000 92.906 > 65 66 Nb 0.74504955258689 0.26886556337779 0.50000000000000 92.906 > 65 67 Nb 0.25495044741311 0.73113443662221 0.00000000000000 92.906 > 67 68 Nb 0.25495044741311 0.73113443662221 0.50000000000000 92.906 > 67 69 Nb 0.74504955258689 0.73113443662221 0.25000000000000 92.906 > 69 70 Nb 0.74504955258689 0.73113443662221 0.75000000000000 92.906 > 69 71 Nb 0.25495044741311 0.26886556337779 0.25000000000000 92.906 > 71 72 Nb 0.25495044741311 0.26886556337779 0.75000000000000 92.906 > 71 73 Nb 0.00000000000000 0.50000000000000 0.37500000000000 92.906 > 73 74 Nb 0.00000000000000 0.50000000000000 0.87500000000000 92.906 > 73 75 Nb 0.00000000000000 0.50000000000000 0.12500000000000 92.906 > 75 76 Nb 0.00000000000000 0.50000000000000 0.62500000000000 92.906 > 75 77 Nb 0.24504955258689 0.76886556337779 0.25000000000000 92.906 > 65 78 Nb 0.24504955258689 0.76886556337779 0.75000000000000 92.906 > 65 79 Nb 0.75495044741311 0.23113443662221 0.25000000000000 92.906 > 67 80 Nb 0.75495044741311 0.23113443662221 0.75000000000000 92.906 > 67 81 Nb 0.24504955258689 0.23113443662221 0.00000000000000 92.906 > 69 82 Nb 0.24504955258689 0.23113443662221 0.50000000000000 92.906 > 69 83 Nb 0.75495044741311 0.76886556337779 0.00000000000000 92.906 > 71 84 Nb 0.75495044741311 0.76886556337779 0.50000000000000 92.906 > 71 85 Nb 0.50000000000000 0.00000000000000 0.12500000000000 92.906 > 73 86 Nb 0.50000000000000 0.00000000000000 0.62500000000000 92.906 > 73 87 Nb 0.50000000000000 0.00000000000000 0.37500000000000 92.906 > 75 88 Nb 0.50000000000000 0.00000000000000 0.87500000000000 92.906 > 75 89 Ag 0.00000000000000 0.00000000000000 0.12500000000000 107.868 > 89 90 Ag 0.00000000000000 0.00000000000000 0.62500000000000 107.868 > 89 91 Ag 0.00000000000000 0.00000000000000 0.37500000000000 107.868 > 91 92 Ag 0.00000000000000 0.00000000000000 0.87500000000000 107.868 > 91 93 Ag 0.50000000000000 0.50000000000000 0.37500000000000 107.868 > 89 94 Ag 0.50000000000000 0.50000000000000 0.87500000000000 107.868 > 89 95 Ag 0.50000000000000 0.50000000000000 0.12500000000000 107.868 > 91 96 Ag 0.50000000000000 0.50000000000000 0.62500000000000 107.868 > 91 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 7.7828828 0.0000000 0.0000000 0.0000000 8.0083964 0.0000000 0.0000000 0.0000000 7.3268289 -------------------------- Born effective charges -------------------------- 1 O -2.3835775 -1.2653931 -0.3465859 -1.4963768 -3.5517372 -1.1819191 -0.5598205 -1.2533375 -3.1891028 2 O -2.3835775 -1.2653931 0.3465859 -1.4963768 -3.5517372 1.1819191 0.5598205 1.2533375 -3.1891028 3 O -2.3835775 1.2653931 0.3465859 1.4963768 -3.5517372 -1.1819191 0.5598205 -1.2533375 -3.1891028 4 O -2.3835775 1.2653931 -0.3465859 1.4963768 -3.5517372 1.1819191 -0.5598205 1.2533375 -3.1891028 5 O -2.3835775 -1.2653931 -0.3465859 -1.4963768 -3.5517372 -1.1819191 -0.5598205 -1.2533375 -3.1891028 6 O -2.3835775 -1.2653931 0.3465859 -1.4963768 -3.5517372 1.1819191 0.5598205 1.2533375 -3.1891028 7 O -2.3835775 1.2653931 0.3465859 1.4963768 -3.5517372 -1.1819191 0.5598205 -1.2533375 -3.1891028 8 O -2.3835775 1.2653931 -0.3465859 1.4963768 -3.5517372 1.1819191 -0.5598205 1.2533375 -3.1891028 9 O -5.1732041 0.0631267 0.0000000 0.6429853 -1.6931533 0.0000000 0.0000000 0.0000000 -1.4670353 10 O -5.1732041 0.0631267 0.0000000 0.6429853 -1.6931533 0.0000000 0.0000000 0.0000000 -1.4670353 11 O -5.1732041 -0.0631267 0.0000000 -0.6429853 -1.6931533 0.0000000 0.0000000 0.0000000 -1.4670353 12 O -5.1732041 -0.0631267 0.0000000 -0.6429853 -1.6931533 0.0000000 0.0000000 0.0000000 -1.4670353 13 O -2.0723610 1.4727464 0.0000000 1.4263964 -2.7393781 0.0000000 0.0000000 0.0000000 -2.7408058 14 O -2.0723610 1.4727464 0.0000000 1.4263964 -2.7393781 0.0000000 0.0000000 0.0000000 -2.7408058 15 O -2.0723610 -1.4727464 0.0000000 -1.4263964 -2.7393781 0.0000000 0.0000000 0.0000000 -2.7408058 16 O -2.0723610 -1.4727464 0.0000000 -1.4263964 -2.7393781 0.0000000 0.0000000 0.0000000 -2.7408058 17 Nb 7.7848913 0.4157546 0.0000000 1.0250066 6.4782371 0.0000000 0.0000000 0.0000000 6.5834831 18 Nb 7.7848913 0.4157546 0.0000000 1.0250066 6.4782371 0.0000000 0.0000000 0.0000000 6.5834831 19 Nb 7.7848913 -0.4157546 0.0000000 -1.0250066 6.4782371 0.0000000 0.0000000 0.0000000 6.5834831 20 Nb 7.7848913 -0.4157546 0.0000000 -1.0250066 6.4782371 0.0000000 0.0000000 0.0000000 6.5834831 21 Nb 6.8585358 0.0000000 0.0000000 0.0000000 8.4244655 0.0000000 0.0000000 0.0000000 6.6733580 22 Nb 6.8585358 0.0000000 0.0000000 0.0000000 8.4244655 0.0000000 0.0000000 0.0000000 6.6733580 23 Ag 1.5971217 0.0000000 0.0000000 0.0000000 1.6910720 0.0000000 0.0000000 0.0000000 1.3317693 24 Ag 1.5971217 0.0000000 0.0000000 0.0000000 1.6910720 0.0000000 0.0000000 0.0000000 1.3317693 ---------------------------------------------------------------------------- Sets of supercell forces were read from "FORCES_FC3.xz". Displacement dataset for fc3 was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". ----------------------------- Force constants ------------------------------ Computing fc3[ 1, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 17, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 25, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 65, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 73, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 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] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Expanding fc3. Symmetrizing fc3 by traditional approach (N=3). Symmetrizing fc2 by traditional approach (N=3). Max drift of fc3: -0.00000005 (zxx) -0.00000005 (zxx) -0.00000005 (zxx) fc3 was written into "fc3.hdf5". Max drift of fc2: -0.00000000 (xy) -0.00000000 (xy) 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 02:25:26]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 02:25:26]------------------------- 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): [1 1 2] Primitive matrix: [-0.5 0.5 0.5] [ 0.5 -0.5 0.5] [ 0.5 0.5 -0.5] Spacegroup: Ibam (72) ------------------------------ primitive cell ------------------------------ Lattice vectors: a -3.715462490000000 5.208488320000000 3.514984465000000 b 3.715462490000000 -5.208488320000000 3.514984465000000 c 3.715462490000000 5.208488320000000 -3.514984465000000 Atomic positions (fractional): 1 O 0.94103640679464 0.48879186187702 0.83466747057800 15.999 2 O 0.65412439129902 0.10636893621664 0.16533252942200 15.999 3 O 0.55896359320535 0.39363106378336 0.54775545508237 15.999 4 O 0.84587560870098 0.01120813812298 0.45224454491763 15.999 5 O 0.05896359320535 0.51120813812298 0.16533252942200 15.999 6 O 0.34587560870098 0.89363106378336 0.83466747057800 15.999 7 O 0.44103640679465 0.60636893621664 0.45224454491763 15.999 8 O 0.15412439129902 0.98879186187702 0.54775545508237 15.999 9 O 0.66673894340930 0.49175709546070 0.15849603887000 15.999 10 O 0.33326105659070 0.50824290453930 0.84150396113000 15.999 11 O 0.83326105659070 0.99175709546070 0.82501815205140 15.999 12 O 0.16673894340930 0.00824290453930 0.17498184794860 15.999 13 O 0.92862268668662 0.61150241459887 0.54012510128549 15.999 14 O 0.07137731331338 0.38849758540113 0.45987489871451 15.999 15 O 0.57137731331338 0.11150241459887 0.68287972791225 15.999 16 O 0.42862268668662 0.88849758540113 0.31712027208775 15.999 17 Nb 0.26886556337779 0.74504955258689 0.01391511596468 92.906 18 Nb 0.73113443662221 0.25495044741311 0.98608488403532 92.906 19 Nb 0.23113443662221 0.24504955258689 0.47618398920909 92.906 20 Nb 0.76886556337779 0.75495044741311 0.52381601079091 92.906 21 Nb 0.25000000000000 0.75000000000000 0.50000000000000 92.906 22 Nb 0.75000000000000 0.25000000000000 0.50000000000000 92.906 23 Ag 0.25000000000000 0.25000000000000 0.00000000000000 107.868 24 Ag 0.75000000000000 0.75000000000000 0.00000000000000 107.868 -------------------------------- supercell --------------------------------- Lattice vectors: a 7.430924980000000 0.000000000000000 0.000000000000000 b 0.000000000000000 10.416976640000000 0.000000000000000 c 0.000000000000000 0.000000000000000 14.059937859999998 Atomic positions (fractional): 1 O 0.19121146283019 0.64345600774781 0.14879019952341 15.999 > 1 2 O 0.19121146283019 0.64345600774781 0.64879019952341 15.999 > 1 3 O 0.80878853716981 0.35654399225219 0.14879019952341 15.999 > 3 4 O 0.80878853716981 0.35654399225219 0.64879019952341 15.999 > 3 5 O 0.19121146283019 0.35654399225219 0.10120980047658 15.999 > 5 6 O 0.19121146283019 0.35654399225219 0.60120980047658 15.999 > 5 7 O 0.80878853716981 0.64345600774781 0.10120980047658 15.999 > 7 8 O 0.80878853716981 0.64345600774781 0.60120980047658 15.999 > 7 9 O 0.80878853716981 0.35654399225219 0.35120980047658 15.999 > 9 10 O 0.80878853716981 0.35654399225219 0.85120980047658 15.999 > 9 11 O 0.19121146283019 0.64345600774781 0.35120980047658 15.999 > 11 12 O 0.19121146283019 0.64345600774781 0.85120980047658 15.999 > 11 13 O 0.80878853716981 0.64345600774781 0.39879019952342 15.999 > 13 14 O 0.80878853716981 0.64345600774781 0.89879019952342 15.999 > 13 15 O 0.19121146283019 0.35654399225219 0.39879019952342 15.999 > 15 16 O 0.19121146283019 0.35654399225219 0.89879019952342 15.999 > 15 17 O 0.99175709546070 0.16673894340930 0.25000000000000 15.999 > 17 18 O 0.99175709546070 0.16673894340930 0.75000000000000 15.999 > 17 19 O 0.00824290453930 0.83326105659070 0.25000000000000 15.999 > 19 20 O 0.00824290453930 0.83326105659070 0.75000000000000 15.999 > 19 21 O 0.99175709546070 0.83326105659070 0.00000000000000 15.999 > 21 22 O 0.99175709546070 0.83326105659070 0.50000000000000 15.999 > 21 23 O 0.00824290453930 0.16673894340930 0.00000000000000 15.999 > 23 24 O 0.00824290453930 0.16673894340930 0.50000000000000 15.999 > 23 25 O 0.11150241459887 0.42862268668662 0.25000000000000 15.999 > 25 26 O 0.11150241459887 0.42862268668662 0.75000000000000 15.999 > 25 27 O 0.88849758540113 0.57137731331338 0.25000000000000 15.999 > 27 28 O 0.88849758540113 0.57137731331338 0.75000000000000 15.999 > 27 29 O 0.11150241459887 0.57137731331338 0.00000000000000 15.999 > 29 30 O 0.11150241459887 0.57137731331338 0.50000000000000 15.999 > 29 31 O 0.88849758540113 0.42862268668662 0.00000000000000 15.999 > 31 32 O 0.88849758540113 0.42862268668662 0.50000000000000 15.999 > 31 33 O 0.69121146283019 0.14345600774782 0.39879019952342 15.999 > 1 34 O 0.69121146283019 0.14345600774782 0.89879019952342 15.999 > 1 35 O 0.30878853716981 0.85654399225219 0.39879019952342 15.999 > 3 36 O 0.30878853716981 0.85654399225219 0.89879019952342 15.999 > 3 37 O 0.69121146283019 0.85654399225219 0.35120980047658 15.999 > 5 38 O 0.69121146283019 0.85654399225219 0.85120980047658 15.999 > 5 39 O 0.30878853716981 0.14345600774782 0.35120980047658 15.999 > 7 40 O 0.30878853716981 0.14345600774782 0.85120980047658 15.999 > 7 41 O 0.30878853716981 0.85654399225219 0.10120980047658 15.999 > 9 42 O 0.30878853716981 0.85654399225219 0.60120980047658 15.999 > 9 43 O 0.69121146283019 0.14345600774782 0.10120980047658 15.999 > 11 44 O 0.69121146283019 0.14345600774782 0.60120980047658 15.999 > 11 45 O 0.30878853716981 0.14345600774782 0.14879019952341 15.999 > 13 46 O 0.30878853716981 0.14345600774782 0.64879019952341 15.999 > 13 47 O 0.69121146283019 0.85654399225219 0.14879019952341 15.999 > 15 48 O 0.69121146283019 0.85654399225219 0.64879019952341 15.999 > 15 49 O 0.49175709546070 0.66673894340930 0.00000000000000 15.999 > 17 50 O 0.49175709546070 0.66673894340930 0.50000000000000 15.999 > 17 51 O 0.50824290453930 0.33326105659070 0.00000000000000 15.999 > 19 52 O 0.50824290453930 0.33326105659070 0.50000000000000 15.999 > 19 53 O 0.49175709546070 0.33326105659070 0.25000000000000 15.999 > 21 54 O 0.49175709546070 0.33326105659070 0.75000000000000 15.999 > 21 55 O 0.50824290453930 0.66673894340930 0.25000000000000 15.999 > 23 56 O 0.50824290453930 0.66673894340930 0.75000000000000 15.999 > 23 57 O 0.61150241459887 0.92862268668662 0.00000000000000 15.999 > 25 58 O 0.61150241459887 0.92862268668662 0.50000000000000 15.999 > 25 59 O 0.38849758540113 0.07137731331338 0.00000000000000 15.999 > 27 60 O 0.38849758540113 0.07137731331338 0.50000000000000 15.999 > 27 61 O 0.61150241459887 0.07137731331338 0.25000000000000 15.999 > 29 62 O 0.61150241459887 0.07137731331338 0.75000000000000 15.999 > 29 63 O 0.38849758540113 0.92862268668662 0.25000000000000 15.999 > 31 64 O 0.38849758540113 0.92862268668662 0.75000000000000 15.999 > 31 65 Nb 0.74504955258689 0.26886556337779 0.00000000000000 92.906 > 65 66 Nb 0.74504955258689 0.26886556337779 0.50000000000000 92.906 > 65 67 Nb 0.25495044741311 0.73113443662221 0.00000000000000 92.906 > 67 68 Nb 0.25495044741311 0.73113443662221 0.50000000000000 92.906 > 67 69 Nb 0.74504955258689 0.73113443662221 0.25000000000000 92.906 > 69 70 Nb 0.74504955258689 0.73113443662221 0.75000000000000 92.906 > 69 71 Nb 0.25495044741311 0.26886556337779 0.25000000000000 92.906 > 71 72 Nb 0.25495044741311 0.26886556337779 0.75000000000000 92.906 > 71 73 Nb 0.00000000000000 0.50000000000000 0.37500000000000 92.906 > 73 74 Nb 0.00000000000000 0.50000000000000 0.87500000000000 92.906 > 73 75 Nb 0.00000000000000 0.50000000000000 0.12500000000000 92.906 > 75 76 Nb 0.00000000000000 0.50000000000000 0.62500000000000 92.906 > 75 77 Nb 0.24504955258689 0.76886556337779 0.25000000000000 92.906 > 65 78 Nb 0.24504955258689 0.76886556337779 0.75000000000000 92.906 > 65 79 Nb 0.75495044741311 0.23113443662221 0.25000000000000 92.906 > 67 80 Nb 0.75495044741311 0.23113443662221 0.75000000000000 92.906 > 67 81 Nb 0.24504955258689 0.23113443662221 0.00000000000000 92.906 > 69 82 Nb 0.24504955258689 0.23113443662221 0.50000000000000 92.906 > 69 83 Nb 0.75495044741311 0.76886556337779 0.00000000000000 92.906 > 71 84 Nb 0.75495044741311 0.76886556337779 0.50000000000000 92.906 > 71 85 Nb 0.50000000000000 0.00000000000000 0.12500000000000 92.906 > 73 86 Nb 0.50000000000000 0.00000000000000 0.62500000000000 92.906 > 73 87 Nb 0.50000000000000 0.00000000000000 0.37500000000000 92.906 > 75 88 Nb 0.50000000000000 0.00000000000000 0.87500000000000 92.906 > 75 89 Ag 0.00000000000000 0.00000000000000 0.12500000000000 107.868 > 89 90 Ag 0.00000000000000 0.00000000000000 0.62500000000000 107.868 > 89 91 Ag 0.00000000000000 0.00000000000000 0.37500000000000 107.868 > 91 92 Ag 0.00000000000000 0.00000000000000 0.87500000000000 107.868 > 91 93 Ag 0.50000000000000 0.50000000000000 0.37500000000000 107.868 > 89 94 Ag 0.50000000000000 0.50000000000000 0.87500000000000 107.868 > 89 95 Ag 0.50000000000000 0.50000000000000 0.12500000000000 107.868 > 91 96 Ag 0.50000000000000 0.50000000000000 0.62500000000000 107.868 > 91 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 7.7828828 0.0000000 0.0000000 0.0000000 8.0083964 0.0000000 0.0000000 0.0000000 7.3268289 -------------------------- Born effective charges -------------------------- 1 O -2.3835775 -1.2653931 -0.3465859 -1.4963768 -3.5517372 -1.1819191 -0.5598205 -1.2533375 -3.1891028 2 O -2.3835775 -1.2653931 0.3465859 -1.4963768 -3.5517372 1.1819191 0.5598205 1.2533375 -3.1891028 3 O -2.3835775 1.2653931 0.3465859 1.4963768 -3.5517372 -1.1819191 0.5598205 -1.2533375 -3.1891028 4 O -2.3835775 1.2653931 -0.3465859 1.4963768 -3.5517372 1.1819191 -0.5598205 1.2533375 -3.1891028 5 O -2.3835775 -1.2653931 -0.3465859 -1.4963768 -3.5517372 -1.1819191 -0.5598205 -1.2533375 -3.1891028 6 O -2.3835775 -1.2653931 0.3465859 -1.4963768 -3.5517372 1.1819191 0.5598205 1.2533375 -3.1891028 7 O -2.3835775 1.2653931 0.3465859 1.4963768 -3.5517372 -1.1819191 0.5598205 -1.2533375 -3.1891028 8 O -2.3835775 1.2653931 -0.3465859 1.4963768 -3.5517372 1.1819191 -0.5598205 1.2533375 -3.1891028 9 O -5.1732041 0.0631267 0.0000000 0.6429853 -1.6931533 0.0000000 0.0000000 0.0000000 -1.4670353 10 O -5.1732041 0.0631267 0.0000000 0.6429853 -1.6931533 0.0000000 0.0000000 0.0000000 -1.4670353 11 O -5.1732041 -0.0631267 0.0000000 -0.6429853 -1.6931533 0.0000000 0.0000000 0.0000000 -1.4670353 12 O -5.1732041 -0.0631267 0.0000000 -0.6429853 -1.6931533 0.0000000 0.0000000 0.0000000 -1.4670353 13 O -2.0723610 1.4727464 0.0000000 1.4263964 -2.7393781 0.0000000 0.0000000 0.0000000 -2.7408058 14 O -2.0723610 1.4727464 0.0000000 1.4263964 -2.7393781 0.0000000 0.0000000 0.0000000 -2.7408058 15 O -2.0723610 -1.4727464 0.0000000 -1.4263964 -2.7393781 0.0000000 0.0000000 0.0000000 -2.7408058 16 O -2.0723610 -1.4727464 0.0000000 -1.4263964 -2.7393781 0.0000000 0.0000000 0.0000000 -2.7408058 17 Nb 7.7848913 0.4157546 0.0000000 1.0250066 6.4782371 0.0000000 0.0000000 0.0000000 6.5834831 18 Nb 7.7848913 0.4157546 0.0000000 1.0250066 6.4782371 0.0000000 0.0000000 0.0000000 6.5834831 19 Nb 7.7848913 -0.4157546 0.0000000 -1.0250066 6.4782371 0.0000000 0.0000000 0.0000000 6.5834831 20 Nb 7.7848913 -0.4157546 0.0000000 -1.0250066 6.4782371 0.0000000 0.0000000 0.0000000 6.5834831 21 Nb 6.8585358 0.0000000 0.0000000 0.0000000 8.4244655 0.0000000 0.0000000 0.0000000 6.6733580 22 Nb 6.8585358 0.0000000 0.0000000 0.0000000 8.4244655 0.0000000 0.0000000 0.0000000 6.6733580 23 Ag 1.5971217 0.0000000 0.0000000 0.0000000 1.6910720 0.0000000 0.0000000 0.0000000 1.3317693 24 Ag 1.5971217 0.0000000 0.0000000 0.0000000 1.6910720 0.0000000 0.0000000 0.0000000 1.3317693 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: -0.00000005 (zxx) -0.00000005 (zxx) -0.00000005 (zxx) Max drift of fc2: -0.00000000 (zz) -0.00000000 (zz) --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperature: 0.0 10.0 20.0 30.0 40.0 ... 1000.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 Length for sampling mesh generation: 50.00 Generating grid system ... Generalized regular grid: [ 1 7 70 ] Grid generation matrix: [ 0 7 7 ] [ 5 0 5 ] [ 7 7 0 ] fc3-r2q-transformation over three atoms: True --------------------------- Phonon calculations ---------------------------- Use NAC by Gonze et al. (no real space sum in current implementation) PRB 50, 13035(R) (1994), PRB 55, 10355 (1997) G-cutoff distance: 0.64, Number of G-points: 307, Lambda: 0.19 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/96) ======================= 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.58e-05 8.58e-05 Number of triplets: 96 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 1.606 ( 0.000 0.000 0.000) 0.000 1.629 ( 0.000 0.000 0.000) 0.000 1.924 ( 0.000 0.000 0.000) 0.000 2.011 ( 0.000 0.000 0.000) 0.000 2.015 ( 0.000 0.000 0.000) 0.000 2.292 ( 0.000 0.000 0.000) 0.000 2.534 ( 0.000 0.000 0.000) 0.000 3.103 ( 0.000 0.000 0.000) 0.000 3.378 ( 0.000 0.000 0.000) 0.000 3.844 ( 0.000 0.000 0.000) 0.000 3.999 ( 0.000 0.000 0.000) 0.000 4.026 ( 0.000 0.000 0.000) 0.000 4.221 ( 0.000 0.000 0.000) 0.000 4.631 ( 0.000 0.000 0.000) 0.000 4.910 ( 0.000 0.000 0.000) 0.000 4.955 ( 0.000 0.000 0.000) 0.000 5.437 ( 0.000 0.000 0.000) 0.000 5.591 ( 0.000 0.000 0.000) 0.000 5.703 ( 0.000 0.000 0.000) 0.000 5.889 ( 0.000 0.000 0.000) 0.000 6.284 ( 0.000 0.000 0.000) 0.000 6.398 ( 0.000 0.000 0.000) 0.000 6.658 ( 0.000 0.000 0.000) 0.000 6.746 ( 0.000 0.000 0.000) 0.000 7.105 ( 0.000 0.000 0.000) 0.000 7.276 ( 0.000 0.000 0.000) 0.000 7.446 ( 0.000 0.000 0.000) 0.000 7.600 ( 0.000 0.000 0.000) 0.000 7.757 ( 0.000 0.000 0.000) 0.000 7.762 ( 0.000 0.000 0.000) 0.000 8.081 ( 0.000 0.000 0.000) 0.000 8.478 ( 0.000 0.000 0.000) 0.000 8.502 ( 0.000 0.000 0.000) 0.000 8.761 ( 0.000 0.000 0.000) 0.000 9.386 ( 0.000 0.000 0.000) 0.000 9.461 ( 0.000 0.000 0.000) 0.000 9.761 ( 0.000 0.000 0.000) 0.000 9.935 ( 0.000 0.000 0.000) 0.000 10.130 ( 0.000 0.000 0.000) 0.000 10.824 ( 0.000 0.000 0.000) 0.000 10.875 ( 0.000 0.000 0.000) 0.000 10.897 ( 0.000 0.000 0.000) 0.000 11.844 ( 0.000 0.000 0.000) 0.000 11.891 ( 0.000 0.000 0.000) 0.000 11.916 ( 0.000 0.000 0.000) 0.000 12.063 ( 0.000 0.000 0.000) 0.000 12.499 ( 0.000 0.000 0.000) 0.000 12.686 ( 0.000 0.000 0.000) 0.000 13.738 ( 0.000 0.000 0.000) 0.000 14.668 ( 0.000 0.000 0.000) 0.000 15.450 ( 0.000 0.000 0.000) 0.000 15.590 ( 0.000 0.000 0.000) 0.000 15.784 ( 0.000 0.000 0.000) 0.000 16.069 ( 0.000 0.000 0.000) 0.000 16.628 ( 0.000 0.000 0.000) 0.000 17.005 ( 0.000 0.000 0.000) 0.000 17.825 ( 0.000 0.000 0.000) 0.000 18.122 ( 0.000 0.000 0.000) 0.000 19.599 ( 0.000 0.000 0.000) 0.000 20.410 ( 0.000 0.000 0.000) 0.000 21.091 ( 0.000 0.000 0.000) 0.000 21.340 ( 0.000 0.000 0.000) 0.000 22.012 ( 0.000 0.000 0.000) 0.000 22.303 ( 0.000 0.000 0.000) 0.000 22.945 ( 0.000 0.000 0.000) 0.000 23.496 ( 0.000 0.000 0.000) 0.000 23.882 ( 0.000 0.000 0.000) 0.000 24.176 ( 0.000 0.000 0.000) 0.000 24.543 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/96) ======================= q-point: (-0.14 0.00 0.14) 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.58e-05 8.58e-05 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.831 ( 33.030 0.000 -1.453) 33.062 0.903 ( 22.220 0.000 -16.380) 27.605 1.423 ( 11.316 0.000 -17.363) 20.725 1.627 ( 1.279 0.000 -0.533) 1.386 1.744 ( 9.566 0.000 -3.084) 10.051 1.988 ( -0.217 0.000 2.151) 2.162 2.169 ( 1.993 -0.000 -19.702) 19.802 2.230 ( 1.747 0.000 -3.655) 4.051 2.528 ( 6.281 0.000 -14.374) 15.686 2.603 ( 5.962 0.000 1.156) 6.073 3.221 ( -3.932 -0.000 -0.043) 3.933 3.523 ( -7.989 -0.000 6.713) 10.435 3.732 ( 55.323 0.000 41.842) 69.364 3.913 ( -7.293 -0.000 -6.698) 9.902 4.420 ( 13.434 0.000 -2.109) 13.599 4.487 ( 8.920 0.000 -6.368) 10.960 4.723 ( 10.498 0.000 1.765) 10.645 4.779 ( 1.369 0.000 4.864) 5.053 5.021 ( 10.114 0.000 -4.307) 10.993 5.417 ( -27.080 -0.000 -18.038) 32.538 5.496 ( -5.442 -0.000 -13.393) 14.456 5.724 ( 7.690 0.000 3.547) 8.468 6.267 ( -13.518 -0.000 -13.197) 18.891 6.329 ( -1.109 -0.000 -12.091) 12.142 6.698 ( 17.939 0.000 4.883) 18.591 6.782 ( 2.926 0.000 0.995) 3.091 6.916 ( -2.859 -0.000 4.763) 5.555 7.285 ( 1.774 0.000 -7.339) 7.550 7.412 ( -1.107 -0.000 -1.169) 1.610 7.645 ( 0.750 0.000 0.895) 1.168 7.649 ( 1.812 0.000 2.486) 3.077 7.714 ( 2.474 0.000 3.237) 4.074 8.210 ( 12.095 0.000 -4.081) 12.765 8.337 ( -5.487 -0.000 5.783) 7.972 8.447 ( 3.136 0.000 -0.049) 3.136 8.632 ( 8.659 0.000 -1.492) 8.787 8.914 ( 3.396 0.000 -8.821) 9.452 9.248 ( 0.076 0.000 12.874) 12.875 9.386 ( -7.833 -0.000 -0.657) 7.860 9.893 ( 8.594 0.000 5.837) 10.389 10.038 ( -9.112 -0.000 -0.645) 9.135 10.539 ( -7.117 -0.000 13.137) 14.941 10.769 ( -9.990 -0.000 -0.394) 9.998 10.903 ( 2.283 0.000 8.598) 8.896 11.142 ( 29.304 0.000 21.841) 36.548 11.683 ( -10.894 -0.000 5.839) 12.360 11.885 ( -0.692 -0.000 -2.898) 2.980 12.006 ( 11.934 0.000 17.524) 21.202 12.135 ( 5.430 0.000 0.205) 5.434 12.388 ( -4.111 -0.000 5.664) 6.999 12.737 ( 5.795 0.000 1.848) 6.083 13.510 ( -1.443 0.000 16.843) 16.905 15.002 ( -3.683 -0.000 -31.307) 31.523 15.623 ( -28.966 -0.000 -15.711) 32.953 15.711 ( 0.804 -0.000 -9.245) 9.280 16.022 ( 2.674 0.000 5.382) 6.010 16.427 ( -13.539 -0.000 -27.477) 30.632 16.648 ( 3.827 0.000 2.222) 4.426 17.981 ( 16.819 0.000 0.357) 16.822 18.172 ( -3.205 -0.000 -7.249) 7.926 19.560 ( -3.141 -0.000 0.577) 3.194 19.981 ( 2.211 0.000 36.234) 36.301 20.950 ( 0.890 0.000 14.948) 14.974 21.172 ( -7.771 -0.000 9.427) 12.217 21.666 ( -17.430 -0.000 -15.396) 23.256 22.169 ( 36.457 0.000 26.772) 45.232 22.653 ( -9.432 -0.000 11.157) 14.609 23.028 ( 31.241 0.000 6.850) 31.983 23.469 ( -7.320 -0.000 1.500) 7.472 24.001 ( 6.395 0.000 -5.063) 8.156 24.272 ( -8.302 -0.000 -15.754) 17.808 24.581 ( 1.269 0.000 -1.889) 2.275 ======================= Grid point 2 (3/96) ======================= q-point: (-0.29 0.00 0.29) 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.58e-05 8.58e-05 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.285 ( 22.940 0.000 7.588) 24.162 1.442 ( 9.872 0.000 -7.765) 12.560 1.557 ( 1.413 0.000 0.153) 1.422 1.658 ( 0.943 0.000 -0.194) 0.963 1.915 ( -0.603 0.000 3.923) 3.969 1.934 ( 3.774 0.000 2.166) 4.351 2.169 ( -0.397 -0.000 -0.342) 0.524 2.586 ( 4.888 0.000 10.369) 11.463 2.681 ( 4.368 0.000 -19.305) 19.793 3.031 ( 16.550 0.000 -4.936) 17.270 3.485 ( -0.581 -0.000 -7.398) 7.421 3.755 ( 15.782 0.000 -26.636) 30.960 3.983 ( 31.187 0.000 14.900) 34.564 3.989 ( -3.470 -0.000 -8.830) 9.487 4.320 ( -7.444 -0.000 7.569) 10.616 4.688 ( 5.584 0.000 -8.552) 10.214 4.742 ( 6.694 0.000 0.116) 6.695 5.186 ( 5.316 0.000 -7.814) 9.451 5.431 ( 0.971 -0.000 -16.715) 16.743 5.475 ( -12.354 -0.000 13.593) 18.368 5.553 ( 12.904 0.000 -9.027) 15.748 5.923 ( 13.774 0.000 -17.896) 22.583 6.164 ( -13.181 -0.000 6.909) 14.882 6.395 ( -4.858 -0.000 -16.301) 17.009 6.694 ( 4.822 0.000 -4.465) 6.572 6.785 ( -1.269 -0.000 -0.790) 1.495 7.174 ( 6.556 0.000 0.270) 6.562 7.397 ( -3.749 -0.000 -4.305) 5.709 7.439 ( -7.074 -0.000 8.564) 11.107 7.549 ( -0.688 -0.000 -8.058) 8.087 7.714 ( 15.323 0.000 -4.860) 16.075 7.794 ( 3.962 0.000 2.568) 4.722 8.078 ( -7.103 -0.000 7.400) 10.257 8.568 ( 8.232 0.000 -8.412) 11.770 8.647 ( 11.010 0.000 -5.412) 12.268 8.891 ( 14.290 0.000 -3.300) 14.666 8.912 ( -0.731 0.000 15.199) 15.217 9.120 ( -14.273 -0.000 -10.714) 17.847 9.313 ( 6.869 0.000 -2.313) 7.248 9.844 ( -13.245 -0.000 -1.465) 13.326 9.929 ( 10.072 0.000 9.800) 14.053 10.112 ( -6.135 -0.000 15.570) 16.735 10.513 ( -8.905 -0.000 7.545) 11.672 10.622 ( -5.255 -0.000 15.168) 16.053 11.201 ( 14.675 0.000 14.743) 20.802 11.304 ( -11.472 -0.000 7.388) 13.645 11.855 ( 7.210 0.000 15.731) 17.305 11.888 ( -3.182 -0.000 0.073) 3.183 12.236 ( -3.479 -0.000 -1.794) 3.914 12.273 ( 3.533 0.000 -5.465) 6.507 12.778 ( 4.845 0.000 4.972) 6.943 13.106 ( -1.211 0.000 18.904) 18.943 15.414 ( -25.600 -0.000 -16.952) 30.704 15.621 ( -6.239 -0.000 -31.197) 31.815 15.749 ( 2.141 0.000 4.669) 5.136 16.208 ( 4.904 0.000 -17.533) 18.206 16.652 ( 6.910 0.000 8.278) 10.783 16.735 ( 0.672 -0.000 -13.246) 13.263 18.251 ( -8.994 -0.000 -11.158) 14.332 18.454 ( 29.926 0.000 -1.895) 29.986 19.219 ( 4.811 0.000 41.864) 42.140 19.485 ( -4.338 -0.000 -1.336) 4.539 20.532 ( 0.268 0.000 25.815) 25.817 20.678 ( -16.042 -0.000 14.780) 21.813 21.696 ( -22.617 -0.000 -25.320) 33.951 22.297 ( 37.297 0.000 28.714) 47.070 22.300 ( -3.824 -0.000 10.569) 11.239 23.178 ( -21.760 -0.000 -2.128) 21.864 23.575 ( 19.192 0.000 -9.398) 21.370 24.222 ( 0.988 -0.000 -8.211) 8.270 24.427 ( -6.717 -0.000 -12.311) 14.024 24.635 ( 0.871 0.000 -0.641) 1.082 ======================= Grid point 3 (4/96) ======================= q-point: (-0.43 0.00 0.43) 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.58e-05 8.58e-05 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.497 ( 13.503 0.000 5.773) 14.685 1.564 ( -2.691 -0.000 -1.862) 3.272 1.686 ( 2.217 0.000 -0.665) 2.315 1.697 ( 0.531 -0.000 -7.689) 7.708 1.821 ( -3.370 -0.000 4.377) 5.524 1.828 ( 0.618 0.000 4.449) 4.491 2.229 ( 2.767 0.000 -3.844) 4.737 2.422 ( -0.621 0.000 9.762) 9.782 3.261 ( 7.728 0.000 -17.378) 19.018 3.515 ( -2.692 -0.000 2.550) 3.708 3.554 ( 32.508 0.000 -1.514) 32.543 3.993 ( 1.892 0.000 5.749) 6.052 4.081 ( -4.347 -0.000 -4.509) 6.263 4.306 ( -15.762 -0.000 -11.416) 19.463 4.387 ( 22.395 0.000 1.201) 22.428 4.590 ( -22.504 -0.000 -4.989) 23.050 5.010 ( 2.767 0.000 9.443) 9.840 5.066 ( 4.391 0.000 -10.444) 11.330 5.325 ( 7.394 0.000 7.973) 10.874 5.342 ( -18.200 -0.000 6.957) 19.485 5.913 ( 6.290 0.000 -21.118) 22.035 6.293 ( 0.039 0.000 3.312) 3.313 6.383 ( 22.275 0.000 -2.281) 22.392 6.593 ( -3.864 -0.000 -5.646) 6.841 6.837 ( -1.225 -0.000 -5.129) 5.274 6.892 ( 7.004 0.000 -1.038) 7.080 7.162 ( -7.599 -0.000 -1.402) 7.727 7.257 ( -10.295 -0.000 -2.047) 10.496 7.386 ( 10.470 0.000 -5.699) 11.920 7.652 ( -11.502 -0.000 1.086) 11.553 7.735 ( 1.578 0.000 -2.026) 2.568 7.828 ( 4.736 0.000 13.362) 14.177 8.216 ( 15.680 0.000 -12.713) 20.186 8.644 ( -6.062 -0.000 7.195) 9.409 8.868 ( 8.180 0.000 -2.620) 8.590 8.981 ( 8.915 0.000 -11.554) 14.594 8.984 ( -12.077 -0.000 -6.033) 13.500 9.284 ( 15.765 0.000 -4.542) 16.406 9.476 ( -8.131 -0.000 9.792) 12.727 9.625 ( -3.092 -0.000 -1.496) 3.435 9.675 ( -13.311 -0.000 -0.502) 13.321 9.845 ( 7.946 0.000 15.553) 17.465 10.187 ( -3.813 -0.000 8.203) 9.046 10.215 ( -4.649 -0.000 10.156) 11.170 11.068 ( -5.868 -0.000 -2.058) 6.218 11.119 ( 4.606 0.000 10.183) 11.176 11.723 ( 6.969 0.000 8.227) 10.782 11.783 ( -6.405 -0.000 -0.248) 6.410 12.344 ( 0.518 -0.000 -9.129) 9.143 12.440 ( 0.265 -0.000 -4.596) 4.604 12.719 ( 0.367 0.000 4.767) 4.781 12.753 ( 1.237 0.000 13.524) 13.580 15.368 ( -16.172 -0.000 -18.269) 24.399 15.512 ( 7.438 0.000 17.140) 18.684 16.194 ( -7.263 -0.000 -28.637) 29.544 16.528 ( 7.595 0.000 18.229) 19.748 16.714 ( 2.694 -0.000 -19.817) 20.000 16.928 ( 1.338 0.000 -0.894) 1.609 18.295 ( -13.643 -0.000 -17.121) 21.892 18.568 ( 10.121 0.000 33.757) 35.242 19.128 ( 27.753 0.000 -6.234) 28.444 19.478 ( -4.314 -0.000 -4.315) 6.102 20.027 ( 4.976 0.000 24.504) 25.005 20.064 ( -22.691 -0.000 4.548) 23.142 21.829 ( -18.173 -0.000 -26.336) 31.997 22.046 ( 6.980 0.000 18.173) 19.467 22.476 ( 37.065 0.000 23.435) 43.852 22.785 ( -32.687 -0.000 -12.428) 34.970 24.060 ( 16.597 0.000 -3.200) 16.903 24.301 ( -12.442 -0.000 -7.968) 14.774 24.524 ( 1.879 0.000 -3.324) 3.818 24.619 ( -1.157 -0.000 2.072) 2.373 ======================= Grid point 7 (5/96) ======================= q-point: (-0.41 -0.01 0.01) 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.58e-05 8.58e-05 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.456 ( -0.000 -4.439 -5.059) 6.731 1.505 ( -0.000 -14.961 -1.831) 15.072 1.585 ( 0.000 2.455 0.399) 2.488 1.713 ( 0.000 3.194 1.831) 3.681 2.048 ( -0.000 -9.115 -1.654) 9.264 2.216 ( 0.000 1.992 2.513) 3.206 2.363 ( -0.000 -6.557 -7.769) 10.166 2.568 ( 0.000 -1.538 5.079) 5.307 2.771 ( -0.000 -5.878 3.854) 7.029 2.863 ( 0.000 7.744 -2.435) 8.118 3.784 ( -0.000 -5.215 -13.496) 14.468 3.917 ( -0.000 -3.179 -18.522) 18.793 4.112 ( 0.000 -5.209 9.626) 10.945 4.175 ( -0.000 -4.582 7.316) 8.632 4.188 ( -0.000 -11.328 1.075) 11.379 4.449 ( 0.000 12.596 -0.882) 12.627 4.866 ( -0.000 -2.956 -29.144) 29.293 5.200 ( -0.000 -7.278 5.171) 8.928 5.445 ( 0.000 5.976 -6.445) 8.790 5.515 ( -0.000 -7.562 5.037) 9.085 6.232 ( -0.000 1.375 -10.496) 10.586 6.293 ( 0.000 1.579 -0.714) 1.733 6.416 ( 0.000 5.420 -3.407) 6.402 6.438 ( 0.000 -2.611 11.335) 11.632 6.903 ( -0.000 1.249 -12.040) 12.104 6.972 ( -0.000 -10.624 4.347) 11.479 7.084 ( -0.000 -5.975 3.732) 7.045 7.173 ( 0.000 9.065 -2.371) 9.370 7.354 ( -0.000 -7.488 2.984) 8.061 7.476 ( 0.000 0.339 0.191) 0.390 7.711 ( -0.000 -10.654 -8.022) 13.336 7.906 ( 0.000 7.889 1.039) 7.957 8.022 ( 0.000 4.462 -7.656) 8.861 8.254 ( 0.000 9.169 -1.770) 9.339 8.696 ( -0.000 -8.401 -13.765) 16.126 8.763 ( -0.000 -9.234 -2.796) 9.648 8.970 ( -0.000 -7.323 -0.610) 7.348 9.141 ( 0.000 4.899 1.712) 5.189 9.418 ( 0.000 9.594 -3.589) 10.243 9.634 ( 0.000 5.897 15.141) 16.249 9.875 ( 0.000 2.353 -3.415) 4.147 9.888 ( -0.000 -5.244 7.938) 9.514 10.145 ( -0.000 -2.902 4.827) 5.632 10.349 ( 0.000 14.100 5.741) 15.224 10.929 ( 0.000 -0.801 5.759) 5.814 11.048 ( 0.000 3.032 15.371) 15.668 11.369 ( -0.000 -7.119 -1.667) 7.312 11.650 ( 0.000 9.719 5.910) 11.374 12.322 ( -0.000 3.362 -14.285) 14.675 12.485 ( -0.000 -5.715 0.884) 5.783 12.716 ( 0.000 -1.237 13.161) 13.219 12.756 ( 0.000 -0.812 5.542) 5.602 15.712 ( -0.000 -5.233 1.867) 5.556 15.794 ( 0.000 16.003 -13.085) 20.672 16.524 ( -0.000 -8.133 -12.681) 15.065 16.700 ( -0.000 -5.870 -17.301) 18.269 16.781 ( -0.000 -6.239 -1.540) 6.426 17.298 ( 0.000 9.392 14.952) 17.657 17.474 ( -0.000 -3.727 -16.765) 17.174 18.055 ( 0.000 2.826 35.611) 35.723 18.665 ( -0.000 2.724 -27.378) 27.513 19.328 ( 0.000 4.787 26.482) 26.912 20.055 ( 0.000 -1.693 10.315) 10.453 20.129 ( 0.000 6.427 6.476) 9.124 21.785 ( -0.000 -29.469 13.339) 32.347 22.051 ( 0.000 23.701 -11.574) 26.376 22.519 ( -0.000 -21.724 20.431) 29.822 22.589 ( 0.000 28.173 -21.385) 35.370 24.361 ( -0.000 -8.240 -9.333) 12.450 24.563 ( -0.000 -5.247 -3.458) 6.284 24.622 ( -0.000 -5.785 4.834) 7.538 24.759 ( 0.000 7.084 -5.465) 8.947 ======================= Grid point 8 (6/96) ======================= q-point: ( 0.44 -0.01 0.16) 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.58e-05 8.58e-05 Number of triplets: 245 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.528 ( -2.819 2.257 2.231) 4.245 1.536 ( -0.299 -1.254 -2.681) 2.975 1.581 ( -0.593 -4.232 -5.714) 7.135 1.665 ( -2.428 5.035 -0.607) 5.622 2.084 ( -4.710 -6.449 -4.848) 9.342 2.184 ( -4.815 8.577 -1.387) 9.934 2.424 ( -0.060 2.096 0.383) 2.131 2.465 ( -8.594 -1.635 -11.715) 14.621 2.706 ( 4.107 -8.151 5.805) 10.817 2.957 ( 6.710 8.000 -2.370) 10.707 3.800 ( 1.363 -5.262 12.945) 14.039 4.023 ( 4.969 0.504 9.709) 10.918 4.191 ( -2.466 -4.107 2.377) 5.348 4.319 ( 7.503 1.680 -17.445) 19.064 4.440 ( 8.242 9.975 -17.737) 21.955 4.574 ( 6.711 15.182 -11.141) 19.992 4.972 ( 0.459 3.157 17.581) 17.868 5.222 ( -9.679 -2.882 2.251) 10.346 5.502 ( 3.979 9.285 -5.460) 11.483 5.564 ( 3.095 1.483 -8.838) 9.481 5.861 ( -15.285 -5.270 15.972) 22.727 6.195 ( -13.052 1.930 -3.731) 13.712 6.376 ( 2.949 -2.899 0.809) 4.214 6.590 ( -0.797 4.989 -7.524) 9.062 6.817 ( -1.898 -3.819 7.757) 8.852 7.053 ( -0.969 -4.644 -3.004) 5.615 7.143 ( -0.180 0.454 1.948) 2.008 7.264 ( 4.041 -0.699 -3.893) 5.654 7.331 ( 3.937 2.554 -3.358) 5.770 7.471 ( -3.566 12.900 -2.344) 13.588 7.871 ( 8.242 -6.370 -9.194) 13.893 7.969 ( 4.201 1.334 5.651) 7.167 8.035 ( -3.769 15.503 10.482) 19.090 8.286 ( 0.038 6.689 -8.154) 10.547 8.845 ( 1.884 -7.362 -3.045) 8.187 8.917 ( 6.611 7.820 2.308) 10.497 9.159 ( 11.164 -5.370 -4.200) 13.081 9.189 ( 5.824 6.302 2.467) 8.928 9.260 ( -1.532 -4.109 12.408) 13.160 9.532 ( 2.865 -2.124 -5.741) 6.759 9.812 ( -1.609 -2.483 0.679) 3.036 9.967 ( 0.187 3.735 -6.784) 7.746 10.091 ( -3.445 -8.360 -0.487) 9.055 10.245 ( -3.286 3.227 -3.453) 5.757 10.820 ( 4.073 -7.719 11.512) 14.447 10.991 ( 5.715 -8.580 -5.048) 11.479 11.466 ( -0.893 -6.826 -7.118) 9.903 11.597 ( 1.808 11.333 -1.171) 11.536 12.250 ( 0.280 -3.596 15.634) 16.045 12.572 ( -0.658 3.828 -3.854) 5.472 12.629 ( -4.308 -5.171 -5.209) 8.510 12.753 ( 1.288 -1.477 -8.977) 9.188 15.439 ( -1.643 -16.579 20.836) 26.678 15.763 ( 2.371 -0.856 14.994) 15.205 16.635 ( -15.296 3.901 -7.064) 17.294 16.678 ( -8.440 4.552 9.286) 13.348 16.808 ( -1.562 8.975 4.229) 10.043 17.123 ( -2.657 -1.740 -17.811) 18.092 17.697 ( 11.499 -1.898 17.273) 20.837 18.212 ( 18.449 1.259 -27.715) 33.318 18.863 ( 13.019 11.166 21.934) 27.844 19.278 ( -2.041 -1.318 -27.672) 27.778 20.036 ( 2.683 0.438 2.819) 3.917 20.088 ( 1.919 -6.481 -8.947) 11.213 21.338 ( -11.894 -27.505 18.410) 35.170 22.103 ( 2.032 -3.698 4.119) 5.897 22.293 ( 2.895 -3.496 3.152) 5.526 23.076 ( 6.075 24.627 -15.222) 29.582 24.388 ( -9.960 -4.017 -0.319) 10.745 24.471 ( -7.443 5.257 -0.553) 9.129 24.621 ( 1.128 -4.116 1.490) 4.521 24.800 ( -2.089 6.567 -2.640) 7.380 ======================= Grid point 9 (7/96) ======================= q-point: ( 0.30 -0.01 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.58e-05 8.58e-05 Number of triplets: 245 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.382 ( -2.428 5.336 0.637) 5.896 1.604 ( 2.532 2.039 0.367) 3.272 1.618 ( 1.935 1.145 -0.271) 2.264 1.721 ( -0.918 3.167 -4.891) 5.898 2.104 ( -3.525 6.954 0.063) 7.797 2.152 ( -5.197 0.911 -10.008) 11.314 2.314 ( -13.452 3.017 -3.645) 14.260 2.723 ( 7.908 1.337 1.444) 8.149 2.777 ( 14.353 3.350 -3.493) 15.147 3.259 ( 17.976 3.038 -1.292) 18.276 3.531 ( 1.734 3.555 14.610) 15.136 3.726 ( -7.210 0.939 12.023) 14.050 4.130 ( -1.237 2.687 -2.497) 3.871 4.447 ( -13.294 6.022 11.371) 18.501 4.624 ( -10.887 -1.480 15.070) 18.650 4.864 ( 0.611 -11.423 -8.799) 14.432 4.923 ( 0.567 10.159 -1.519) 10.287 5.074 ( 5.891 4.874 -12.376) 14.547 5.316 ( -4.777 -2.790 -1.532) 5.740 5.639 ( 5.074 15.884 -11.093) 20.027 5.789 ( 1.675 15.289 6.436) 16.672 6.069 ( -2.761 -4.577 0.276) 5.352 6.275 ( -14.575 10.025 6.592) 18.878 6.632 ( -12.716 3.967 -4.778) 14.152 6.789 ( 3.149 1.147 -7.863) 8.548 7.040 ( 7.552 3.568 3.472) 9.046 7.064 ( -2.254 -3.791 -0.294) 4.420 7.272 ( 1.829 -3.496 1.449) 4.204 7.411 ( 2.694 -2.766 0.767) 3.937 7.627 ( 6.462 9.627 -2.726) 11.911 7.849 ( 6.016 -0.490 5.116) 7.913 7.864 ( -1.975 8.227 7.115) 11.055 8.295 ( 3.363 1.783 -4.132) 5.618 8.373 ( 0.264 6.676 -11.248) 13.083 8.727 ( 1.107 8.680 18.461) 20.430 8.940 ( 5.141 -8.181 5.804) 11.272 9.023 ( 3.834 0.381 6.363) 7.438 9.291 ( 5.270 0.382 -0.062) 5.284 9.574 ( 7.211 -6.058 -6.360) 11.364 9.694 ( 2.144 -1.438 0.993) 2.766 9.736 ( 3.047 -3.041 -1.738) 4.642 10.018 ( -9.805 -9.556 -10.753) 17.409 10.291 ( -6.390 -0.638 -17.328) 18.479 10.316 ( 7.324 -4.949 -4.368) 9.860 10.817 ( 12.107 -4.154 2.500) 13.042 11.150 ( -3.479 -6.537 -6.513) 9.862 11.473 ( -4.283 4.003 -2.814) 6.503 11.888 ( 7.914 -2.601 -9.408) 12.566 12.052 ( 4.567 -6.132 5.558) 9.452 12.427 ( -4.040 3.109 3.780) 6.347 12.875 ( -0.681 -2.279 -16.607) 16.776 12.991 ( -0.617 0.545 -11.801) 11.829 14.913 ( -1.469 -9.039 25.919) 27.489 15.395 ( 6.493 -10.331 27.861) 30.416 16.159 ( -3.142 -0.125 19.480) 19.732 16.519 ( -15.700 10.318 -9.270) 20.950 16.793 ( -2.792 8.777 -0.049) 9.210 17.362 ( 0.693 6.399 -7.670) 10.013 17.577 ( 1.180 -9.693 7.757) 12.470 18.755 ( 28.162 12.705 11.040) 32.808 19.355 ( 14.252 -1.593 -23.986) 27.946 19.582 ( -0.969 -2.074 -14.023) 14.209 20.001 ( -4.594 -4.528 -7.401) 9.818 20.458 ( -7.445 -13.593 -2.302) 15.668 20.808 ( -8.421 -6.369 -6.113) 12.200 22.060 ( 14.103 -22.636 14.062) 30.150 22.459 ( 9.161 -1.341 -7.743) 12.070 23.353 ( -1.461 16.625 -6.420) 17.881 24.052 ( -16.136 13.828 6.270) 22.156 24.261 ( -9.819 -2.065 4.096) 10.838 24.619 ( -0.993 3.027 -1.408) 3.483 24.820 ( -2.235 2.848 -3.023) 4.716 ======================= Grid point 10 (8/96) ======================= q-point: ( 0.16 -0.01 0.44) 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.58e-05 8.58e-05 Number of triplets: 245 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.445 ( 0.321 3.593 -5.669) 6.719 1.650 ( 3.423 0.415 0.560) 3.493 1.655 ( 1.066 -0.318 0.340) 1.163 1.738 ( -2.258 1.830 4.589) 5.432 2.055 ( -2.262 0.191 -0.275) 2.287 2.158 ( -12.926 15.717 -14.846) 25.189 2.226 ( 0.071 -0.701 2.582) 2.677 2.744 ( 5.047 11.570 21.898) 25.276 2.994 ( -6.955 -3.589 -1.386) 7.949 3.070 ( 13.378 8.794 3.235) 16.333 3.477 ( -4.207 2.640 0.577) 5.000 3.719 ( -11.438 -8.303 15.632) 21.075 3.881 ( -6.375 11.172 18.376) 22.431 4.131 ( 12.333 -0.503 -10.575) 16.254 4.284 ( -4.196 -1.805 -8.052) 9.257 4.660 ( -10.983 5.369 -5.429) 13.376 5.093 ( -0.287 -2.708 -6.105) 6.685 5.360 ( -8.088 11.374 4.118) 14.551 5.528 ( -0.598 -11.458 -11.918) 16.543 5.650 ( 4.657 8.124 0.487) 9.377 5.751 ( -10.236 -7.300 5.574) 13.752 5.901 ( 2.629 -4.962 16.085) 17.037 6.059 ( 5.332 19.186 -11.760) 23.126 6.510 ( -5.498 -1.595 -4.571) 7.326 7.004 ( -2.016 -7.798 -2.940) 8.574 7.189 ( 9.177 9.412 -11.319) 17.346 7.247 ( -5.549 -1.655 8.055) 9.921 7.284 ( 8.484 2.624 -1.996) 9.102 7.441 ( 7.808 -6.297 2.967) 10.460 7.507 ( -10.604 -1.038 1.988) 10.839 7.678 ( 0.136 8.908 4.751) 10.097 7.997 ( 3.501 -0.694 -4.053) 5.401 8.207 ( -12.340 3.770 -4.270) 13.591 8.344 ( -0.746 -3.754 13.821) 14.341 8.612 ( 2.460 5.763 7.642) 9.882 8.870 ( 3.765 -0.735 -2.556) 4.610 9.153 ( 9.795 -5.301 -1.376) 11.222 9.349 ( 2.693 -0.853 2.027) 3.477 9.470 ( -2.317 -5.137 5.459) 7.846 9.639 ( -7.987 2.107 3.786) 9.087 9.936 ( 2.687 -15.760 -2.328) 16.156 10.159 ( 5.507 3.383 -7.399) 9.824 10.514 ( 0.886 0.954 -16.764) 16.815 10.680 ( 8.364 2.899 -6.894) 11.220 11.021 ( 6.433 4.214 -0.177) 7.692 11.096 ( -9.163 -2.452 -0.574) 9.502 11.545 ( -0.185 2.372 -10.257) 10.529 11.998 ( 5.270 -5.531 6.006) 9.718 12.206 ( 3.587 0.161 -2.456) 4.350 12.392 ( -0.751 -0.610 -5.872) 5.951 13.160 ( -2.600 -1.103 -9.328) 9.746 13.280 ( 0.947 1.865 -20.904) 21.008 14.365 ( 1.127 -0.490 27.362) 27.390 14.985 ( 6.287 -9.104 21.690) 24.349 15.801 ( -1.542 0.855 10.933) 11.075 16.449 ( -8.135 3.208 -6.202) 10.720 16.690 ( -2.569 3.901 4.029) 6.168 17.421 ( -5.219 -8.122 3.311) 10.207 17.517 ( 5.275 7.300 -2.245) 9.282 19.175 ( 31.964 5.834 5.454) 32.947 19.438 ( -2.846 -6.194 3.302) 7.574 19.864 ( -26.718 4.217 7.935) 28.189 20.114 ( 1.527 0.526 -9.363) 9.501 20.400 ( 5.276 -4.085 -31.980) 32.669 21.102 ( -0.801 -0.937 -12.637) 12.696 22.115 ( 22.462 -29.651 13.939) 39.724 22.885 ( 12.280 -5.689 -8.003) 15.723 23.197 ( -10.879 17.511 7.606) 21.973 23.655 ( -17.158 12.619 -1.075) 21.326 24.044 ( -3.757 1.321 2.434) 4.668 24.597 ( -1.845 -0.060 1.255) 2.232 24.835 ( -2.651 0.673 -2.958) 4.029 ======================= Grid point 11 (9/96) ======================= q-point: ( 0.01 -0.01 -0.41) 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.58e-05 8.58e-05 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.510 ( -1.940 -1.806 0.000) 2.650 1.532 ( -6.373 -1.719 0.000) 6.600 1.656 ( -0.163 0.431 -0.000) 0.461 1.660 ( -5.422 2.685 -0.000) 6.050 1.975 ( -8.163 -5.364 0.000) 9.767 2.142 ( -3.174 -1.265 0.000) 3.417 2.269 ( 2.159 7.299 -0.000) 7.612 2.359 ( -4.643 -1.021 -0.000) 4.754 2.824 ( -23.057 -8.433 0.000) 24.550 3.186 ( 3.272 -6.719 0.000) 7.473 3.350 ( -4.895 -1.086 -0.000) 5.014 3.568 ( 13.665 7.735 -0.000) 15.703 3.690 ( 15.727 9.501 -0.000) 18.374 4.259 ( -6.270 8.881 -0.000) 10.871 4.479 ( -0.007 -1.545 0.000) 1.545 4.733 ( 5.301 4.230 -0.000) 6.782 5.141 ( -3.646 -5.598 0.000) 6.681 5.241 ( -4.470 -1.079 0.000) 4.598 5.295 ( -10.759 -24.363 0.000) 26.633 5.611 ( -3.929 -23.707 0.000) 24.030 5.632 ( 0.419 2.126 -0.000) 2.167 5.831 ( -3.497 6.372 -0.000) 7.269 6.239 ( -1.790 18.565 -0.000) 18.651 6.592 ( 5.175 -3.193 0.000) 6.081 6.816 ( -14.968 -17.799 0.000) 23.256 7.074 ( -0.421 -4.619 0.000) 4.638 7.230 ( -7.767 -2.036 0.000) 8.029 7.440 ( -6.321 0.493 -0.000) 6.340 7.479 ( -0.142 3.590 -0.000) 3.593 7.527 ( 9.749 9.377 -0.000) 13.526 7.633 ( 4.353 8.408 -0.000) 9.468 7.984 ( -10.488 -17.538 0.000) 20.435 8.118 ( -3.093 -1.022 0.000) 3.257 8.235 ( 4.318 -3.255 0.000) 5.408 8.505 ( 2.233 11.338 -0.000) 11.556 8.901 ( -7.528 -1.252 -0.000) 7.632 9.308 ( -13.970 1.161 -0.000) 14.018 9.372 ( 4.171 -0.925 0.000) 4.272 9.430 ( 13.178 -10.725 0.000) 16.991 9.442 ( 1.215 5.478 -0.000) 5.611 10.003 ( 3.149 -6.461 0.000) 7.188 10.414 ( 12.101 13.605 -0.000) 18.208 10.645 ( -18.563 -2.042 -0.000) 18.675 10.784 ( 2.653 0.209 0.000) 2.661 11.065 ( -2.036 12.124 -0.000) 12.294 11.121 ( 16.702 2.242 0.000) 16.852 11.775 ( 4.256 6.485 -0.000) 7.757 11.902 ( -2.399 -2.808 0.000) 3.693 12.257 ( -2.424 2.797 -0.000) 3.701 12.463 ( 0.054 -2.007 0.000) 2.008 13.230 ( -0.092 -3.595 0.000) 3.596 13.665 ( -0.918 0.289 -0.000) 0.962 13.969 ( 4.805 6.816 -0.000) 8.339 14.832 ( 1.769 -0.542 0.000) 1.850 15.674 ( 0.279 -0.607 0.000) 0.668 16.448 ( 1.209 -3.474 0.000) 3.678 16.578 ( -3.753 -2.571 0.000) 4.550 17.250 ( -8.454 -10.597 0.000) 13.556 17.664 ( 7.540 9.324 -0.000) 11.991 19.014 ( -34.724 -2.856 -0.000) 34.841 19.472 ( 2.905 -1.996 0.000) 3.524 19.842 ( 32.888 11.886 -0.000) 34.970 20.244 ( 1.676 1.446 -0.000) 2.213 20.851 ( 1.176 2.699 -0.000) 2.944 21.214 ( 0.620 -0.672 0.000) 0.915 22.349 ( 8.067 -6.497 0.000) 10.358 22.735 ( -2.593 3.554 -0.000) 4.399 23.221 ( -12.169 14.532 -0.000) 18.955 23.514 ( 13.401 -5.047 0.000) 14.320 23.972 ( -3.002 -3.040 0.000) 4.272 24.534 ( -2.128 -4.420 0.000) 4.905 24.827 ( -1.469 -3.251 0.000) 3.568 ======================= Grid point 12 (10/96) ======================= q-point: (-0.13 -0.01 -0.27) 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.58e-05 8.58e-05 Number of triplets: 245 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.320 ( -8.762 -2.172 0.783) 9.061 1.397 ( -13.290 -10.143 -4.768) 17.385 1.639 ( -1.542 0.656 -0.204) 1.688 1.734 ( 1.709 -0.811 -3.172) 3.693 1.837 ( 3.742 -14.899 1.548) 15.440 2.222 ( -0.517 -1.197 -4.284) 4.478 2.308 ( 10.062 -9.168 -0.019) 13.612 2.416 ( -8.442 -2.836 -11.406) 14.471 2.580 ( -9.544 -7.345 -7.441) 14.156 3.144 ( 1.712 -2.601 -1.147) 3.319 3.369 ( -3.170 0.335 1.897) 3.710 3.699 ( -4.482 -4.158 -1.243) 6.239 3.937 ( 4.219 -10.428 12.672) 16.945 4.281 ( -5.997 0.539 -6.606) 8.938 4.412 ( 14.736 2.530 -8.280) 17.091 4.792 ( -9.061 -14.843 -0.282) 17.393 4.996 ( 8.131 -9.389 2.808) 12.734 5.187 ( 0.356 -3.593 -1.280) 3.831 5.286 ( -10.159 -7.989 -2.142) 13.100 5.341 ( 4.987 -15.677 7.081) 17.910 5.555 ( -15.532 3.739 5.003) 16.741 6.003 ( 6.953 1.048 -10.499) 12.637 6.256 ( 7.670 14.699 -5.027) 17.325 6.604 ( -6.695 -12.937 -7.095) 16.202 6.674 ( 0.232 -7.513 3.269) 8.197 6.909 ( -15.152 -8.689 3.086) 17.737 7.122 ( -1.469 3.795 0.139) 4.071 7.356 ( -5.276 -9.992 -3.433) 11.809 7.434 ( -7.800 4.116 -4.198) 9.768 7.602 ( 2.971 4.061 4.283) 6.608 7.690 ( 0.064 -5.403 9.365) 10.812 7.790 ( -3.813 0.396 -3.820) 5.412 8.084 ( -3.693 -0.674 -6.850) 7.812 8.378 ( 8.729 -7.266 0.983) 11.400 8.510 ( -10.283 0.583 4.272) 11.151 8.780 ( -6.938 0.320 -10.723) 12.776 9.058 ( -10.938 2.530 -1.911) 11.389 9.316 ( 0.083 -0.102 6.919) 6.920 9.562 ( 2.108 -0.706 -4.071) 4.638 9.721 ( 9.749 -2.451 -2.951) 10.477 9.914 ( -7.039 5.038 9.519) 12.866 10.337 ( -4.298 3.477 2.236) 5.963 10.559 ( -0.359 15.646 3.698) 16.081 10.694 ( 9.637 -4.588 15.529) 18.843 10.991 ( -5.088 18.084 -0.555) 18.794 11.393 ( 11.402 4.657 4.058) 12.968 11.563 ( 0.652 0.414 12.047) 12.071 12.037 ( -4.469 8.616 -5.565) 11.188 12.118 ( -4.702 0.648 1.387) 4.945 12.394 ( 0.859 -1.458 5.953) 6.189 13.130 ( 0.081 -8.004 10.104) 12.891 13.335 ( 2.130 5.343 18.571) 19.442 14.505 ( 6.197 9.672 -28.398) 30.633 15.069 ( -2.469 9.040 -22.936) 24.777 15.810 ( 2.336 -2.027 -10.652) 11.092 16.436 ( 3.609 -12.885 6.132) 14.719 16.626 ( 4.001 -5.742 -4.820) 8.498 17.115 ( -6.229 -13.601 -1.303) 15.017 17.804 ( 4.906 11.649 -1.154) 12.693 18.411 ( -30.449 -2.421 -4.953) 30.944 19.563 ( 4.588 -0.421 -0.541) 4.639 20.005 ( -2.558 -1.152 24.688) 24.847 20.527 ( 7.894 12.735 14.167) 20.620 20.630 ( 21.363 15.316 -4.711) 26.705 21.136 ( 2.025 0.171 11.263) 11.444 22.255 ( -17.783 23.071 -9.187) 30.544 22.777 ( -22.417 16.786 5.555) 28.551 23.089 ( 17.153 -21.714 1.525) 27.714 23.691 ( 11.021 -13.511 4.865) 18.102 24.112 ( 7.890 -1.603 -10.807) 13.477 24.510 ( -2.910 -7.973 -1.912) 8.700 24.782 ( -0.202 -6.651 2.542) 7.123 ======================= Grid point 13 (11/96) ======================= q-point: (-0.27 -0.01 -0.13) 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.58e-05 8.58e-05 Number of triplets: 245 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.307 ( 0.626 -8.349 -7.104) 10.980 1.425 ( -0.715 -10.641 -6.615) 12.550 1.604 ( -1.394 1.257 0.469) 1.935 1.724 ( 5.813 -3.706 4.972) 8.500 1.977 ( 5.672 -12.340 -0.503) 13.590 2.211 ( 2.118 -0.001 0.598) 2.200 2.353 ( -3.142 -9.171 1.795) 9.859 2.565 ( -3.641 -3.824 -5.602) 7.699 2.691 ( 9.916 -0.423 -1.410) 10.025 3.005 ( -6.850 0.665 11.575) 13.466 3.458 ( 2.530 -4.709 -18.705) 19.454 3.665 ( -1.888 -18.248 -6.781) 19.558 4.028 ( 6.222 -11.114 -6.170) 14.153 4.346 ( -9.458 -12.240 -19.520) 24.906 4.468 ( -8.786 -3.199 5.637) 10.918 4.544 ( -8.089 -10.227 12.716) 18.213 4.666 ( -17.284 -4.674 6.323) 18.989 5.263 ( -5.931 -0.477 -2.249) 6.362 5.305 ( 9.701 -4.891 2.194) 11.084 5.506 ( 7.500 -7.229 0.257) 10.420 5.675 ( 18.832 4.987 -17.688) 26.313 6.186 ( 3.670 1.271 -1.416) 4.134 6.487 ( -7.465 -4.882 -1.862) 9.112 6.600 ( 3.174 -1.508 1.578) 3.852 6.681 ( -0.766 -4.869 -4.618) 6.755 6.934 ( 8.728 -8.407 -12.410) 17.345 7.080 ( -5.760 0.326 -5.494) 7.966 7.267 ( -5.940 -6.771 4.246) 9.958 7.345 ( -1.217 2.363 1.609) 3.107 7.473 ( 3.313 4.175 5.493) 7.654 7.611 ( -4.222 -4.002 -1.806) 6.092 7.833 ( -3.273 0.170 -8.054) 8.695 8.134 ( -9.817 4.800 -0.562) 10.942 8.187 ( -6.030 -2.607 -2.895) 7.179 8.507 ( 0.773 -9.034 -4.961) 10.336 8.798 ( -8.455 -8.692 -4.249) 12.849 9.045 ( -2.408 4.990 -2.783) 6.200 9.141 ( -5.149 -2.825 -0.293) 5.880 9.512 ( -4.172 2.682 9.407) 10.635 9.701 ( -0.393 1.096 -4.032) 4.197 9.864 ( 3.950 7.729 2.618) 9.067 10.146 ( -3.153 2.841 12.019) 12.746 10.409 ( 1.853 6.952 13.297) 15.119 10.428 ( -2.990 5.570 8.449) 10.552 10.984 ( 6.018 10.148 4.563) 12.650 11.364 ( 3.607 2.773 7.282) 8.587 11.418 ( -2.812 3.232 8.574) 9.585 11.856 ( -3.682 4.979 9.685) 11.495 12.095 ( -2.757 5.130 -7.444) 9.452 12.416 ( 2.554 -5.030 -2.862) 6.326 12.902 ( -0.220 -3.975 9.618) 10.410 13.035 ( 2.235 3.512 17.155) 17.653 15.232 ( 7.477 14.952 -28.037) 32.643 15.531 ( -4.906 15.083 -24.690) 29.346 16.188 ( 3.600 -3.346 -20.539) 21.119 16.397 ( 3.988 -20.680 3.482) 21.347 16.798 ( 8.495 -7.687 3.902) 12.102 17.126 ( 3.829 -11.566 -4.103) 12.856 17.724 ( -14.833 10.843 1.762) 18.458 18.239 ( -4.343 1.467 -13.421) 14.182 19.088 ( -13.136 1.880 41.287) 43.367 19.628 ( 2.153 -2.219 5.445) 6.261 20.237 ( 5.305 8.995 16.046) 19.145 20.631 ( -8.969 8.259 24.026) 26.943 21.485 ( 21.497 25.541 -18.201) 38.023 22.024 ( -5.071 -11.886 8.780) 15.623 22.419 ( -18.365 23.769 -13.526) 32.942 22.969 ( -1.160 -21.345 18.243) 28.103 24.039 ( 12.875 -15.464 -8.929) 22.015 24.476 ( 2.108 -4.618 -8.480) 9.884 24.532 ( 2.800 -0.658 -5.058) 5.819 24.725 ( -0.545 -6.382 2.405) 6.842 ======================= Grid point 14 (12/96) ======================= q-point: ( 0.17 -0.03 0.03) 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.58e-05 8.58e-05 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.804 ( 0.000 20.611 17.525) 27.055 0.903 ( 0.000 18.588 12.878) 22.613 1.559 ( 0.000 18.253 10.692) 21.154 1.637 ( 0.000 11.150 7.187) 13.265 1.791 ( 0.000 8.761 -2.881) 9.222 1.954 ( 0.000 9.957 4.437) 10.901 2.144 ( 0.000 2.479 22.388) 22.525 2.265 ( 0.000 3.819 -1.601) 4.142 2.552 ( 0.000 24.411 12.498) 27.424 2.688 ( 0.000 15.310 3.738) 15.759 3.131 ( 0.000 14.399 -14.530) 20.456 3.325 ( -0.000 -0.983 1.199) 1.550 3.872 ( 0.000 11.656 -19.600) 22.804 4.112 ( 0.000 3.811 10.645) 11.307 4.189 ( 0.000 3.632 -0.711) 3.701 4.494 ( -0.000 -6.993 -5.493) 8.892 4.639 ( -0.000 7.956 -14.925) 16.913 5.073 ( 0.000 12.247 0.675) 12.266 5.311 ( 0.000 38.210 -13.492) 40.522 5.468 ( -0.000 -11.956 5.607) 13.205 5.645 ( 0.000 5.026 12.045) 13.051 5.898 ( 0.000 3.528 8.782) 9.464 6.178 ( 0.000 2.710 10.152) 10.507 6.364 ( 0.000 -4.029 10.843) 11.567 6.535 ( 0.000 -1.114 7.548) 7.630 6.845 ( -0.000 1.393 -10.169) 10.264 6.983 ( 0.000 14.763 -1.049) 14.800 7.214 ( -0.000 -22.095 16.572) 27.619 7.291 ( 0.000 7.169 -7.082) 10.077 7.531 ( 0.000 -6.657 17.006) 18.263 7.618 ( -0.000 -0.896 1.313) 1.590 7.729 ( -0.000 2.775 -7.345) 7.852 8.077 ( -0.000 -14.882 12.607) 19.504 8.083 ( 0.000 2.581 -3.319) 4.204 8.434 ( 0.000 4.030 -5.645) 6.936 8.490 ( 0.000 0.251 2.354) 2.368 8.874 ( 0.000 -1.357 9.865) 9.958 9.283 ( -0.000 2.563 -13.148) 13.395 9.637 ( 0.000 7.225 -9.752) 12.137 9.679 ( -0.000 -11.076 6.935) 13.068 10.101 ( -0.000 -3.955 -0.747) 4.025 10.259 ( -0.000 -11.288 2.542) 11.571 10.684 ( -0.000 5.478 -17.647) 18.478 10.798 ( -0.000 -11.270 0.015) 11.270 11.124 ( 0.000 7.783 -8.558) 11.567 11.740 ( -0.000 -8.871 -10.558) 13.790 11.765 ( -0.000 -6.076 -8.183) 10.192 11.941 ( 0.000 2.345 -0.413) 2.381 12.037 ( -0.000 -4.227 1.981) 4.668 12.428 ( -0.000 0.194 -5.255) 5.259 12.843 ( 0.000 15.228 -5.294) 16.122 13.490 ( -0.000 -3.516 -16.385) 16.758 14.956 ( 0.000 -8.303 29.626) 30.767 15.427 ( -0.000 -31.552 24.299) 39.824 15.882 ( 0.000 0.621 9.645) 9.665 16.027 ( 0.000 19.596 0.151) 19.596 16.691 ( 0.000 8.979 -1.875) 9.172 17.063 ( 0.000 2.712 3.338) 4.301 17.735 ( -0.000 -6.531 -2.317) 6.930 18.148 ( -0.000 -5.418 7.265) 9.063 19.625 ( 0.000 3.425 -0.217) 3.432 19.908 ( -0.000 -0.017 -41.375) 41.375 20.828 ( -0.000 -11.549 -12.627) 17.112 21.104 ( -0.000 -0.607 -21.982) 21.991 21.816 ( 0.000 23.453 -18.555) 29.905 22.042 ( -0.000 -27.569 10.245) 29.411 22.168 ( -0.000 -14.594 19.175) 24.097 23.004 ( 0.000 19.466 -20.059) 27.951 23.722 ( 0.000 13.962 8.313) 16.250 24.101 ( 0.000 14.549 0.887) 14.576 24.353 ( 0.000 -0.458 14.194) 14.201 24.623 ( 0.000 5.950 0.445) 5.967 ======================= Grid point 15 (13/96) ======================= q-point: ( 0.03 -0.03 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.58e-05 8.58e-05 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.692 ( 15.437 20.849 -0.000) 25.942 0.730 ( 25.799 10.266 -0.000) 27.767 1.504 ( 10.242 19.364 -0.000) 21.906 1.619 ( 1.396 -0.237 0.000) 1.416 1.800 ( -4.064 0.495 -0.000) 4.094 1.948 ( 1.607 1.251 -0.000) 2.037 2.090 ( 11.817 11.567 -0.000) 16.536 2.298 ( -0.225 0.606 -0.000) 0.647 2.379 ( -3.178 9.607 -0.000) 10.119 2.930 ( 23.010 30.164 -0.000) 37.939 3.229 ( -2.350 7.059 -0.000) 7.440 3.521 ( 17.223 -4.784 0.000) 17.875 3.620 ( -21.287 1.551 -0.000) 21.344 4.261 ( 6.861 -1.572 0.000) 7.039 4.295 ( 6.271 -5.121 0.000) 8.097 4.665 ( 10.062 12.088 -0.000) 15.728 4.866 ( -11.849 -3.308 0.000) 12.302 5.186 ( -2.763 7.213 -0.000) 7.724 5.234 ( -3.537 8.768 -0.000) 9.455 5.339 ( -8.113 10.125 -0.000) 12.974 5.525 ( -12.065 29.525 -0.000) 31.895 5.602 ( 13.009 -12.678 0.000) 18.165 6.172 ( 4.668 3.533 -0.000) 5.855 6.244 ( -9.859 12.866 -0.000) 16.209 6.640 ( 6.009 -14.362 0.000) 15.568 6.652 ( 25.966 -4.976 0.000) 26.438 7.101 ( 4.067 -1.643 0.000) 4.387 7.162 ( -17.789 10.837 -0.000) 20.830 7.352 ( 1.797 -5.810 0.000) 6.081 7.612 ( 5.252 -2.110 0.000) 5.660 7.766 ( 1.478 1.431 -0.000) 2.058 7.874 ( 12.583 -15.055 0.000) 19.621 7.908 ( 3.058 5.915 -0.000) 6.659 8.320 ( 17.300 -0.120 0.000) 17.300 8.453 ( -6.633 4.174 -0.000) 7.837 8.543 ( 6.792 -2.045 0.000) 7.093 8.825 ( 8.123 -3.487 0.000) 8.840 9.431 ( -0.637 4.088 -0.000) 4.137 9.537 ( -5.736 3.270 -0.000) 6.603 9.935 ( -8.721 -7.293 0.000) 11.369 10.025 ( 9.344 -0.049 0.000) 9.344 10.425 ( 5.521 -21.880 0.000) 22.566 10.692 ( 1.356 -3.762 0.000) 3.999 10.888 ( 0.607 0.738 -0.000) 0.955 11.324 ( 7.789 -12.729 0.000) 14.923 11.721 ( -11.414 -2.335 -0.000) 11.651 11.745 ( -4.901 -1.143 0.000) 5.032 12.067 ( 3.028 -7.715 0.000) 8.288 12.184 ( 10.820 -16.295 0.000) 19.560 12.461 ( -2.931 1.100 -0.000) 3.131 12.967 ( 2.369 17.762 -0.000) 17.919 13.693 ( -0.625 -3.397 0.000) 3.454 14.521 ( -7.379 -10.542 0.000) 12.868 14.995 ( -2.551 -16.288 0.000) 16.486 15.706 ( -4.500 4.819 -0.000) 6.593 16.134 ( 10.750 13.029 -0.000) 16.891 16.573 ( -21.341 21.496 -0.000) 30.291 16.768 ( 2.538 11.039 -0.000) 11.327 17.919 ( 14.385 -6.162 0.000) 15.649 18.056 ( -0.427 -3.975 0.000) 3.997 19.595 ( -3.000 2.894 -0.000) 4.168 20.378 ( -1.987 -1.424 0.000) 2.444 20.990 ( 1.474 -10.927 0.000) 11.026 21.294 ( -31.010 -12.511 0.000) 33.438 21.299 ( -4.372 1.824 -0.000) 4.737 22.203 ( 20.062 -19.275 0.000) 27.821 22.832 ( 16.008 -19.726 0.000) 25.404 23.128 ( -6.157 7.363 -0.000) 9.598 23.655 ( 4.317 9.742 -0.000) 10.656 24.059 ( -10.501 1.971 -0.000) 10.684 24.213 ( 3.132 11.675 -0.000) 12.088 24.640 ( 1.462 7.345 -0.000) 7.489 ======================= Grid point 16 (14/96) ======================= q-point: (-0.11 -0.03 0.31) 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.58e-05 8.58e-05 Number of triplets: 246 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.266 ( 25.395 -0.422 -1.848) 25.465 1.322 ( 12.160 -2.148 -4.692) 13.210 1.634 ( 2.425 4.365 1.083) 5.109 1.655 ( 1.097 1.280 -0.081) 1.688 1.790 ( 3.269 -7.233 -1.857) 8.152 2.138 ( 4.223 6.391 -6.783) 10.231 2.213 ( -0.649 3.517 2.576) 4.407 2.368 ( 8.723 5.781 -10.037) 14.500 2.522 ( 8.242 -7.671 -10.197) 15.191 3.129 ( 6.980 -0.028 1.554) 7.151 3.353 ( -7.596 2.760 -6.363) 10.287 3.567 ( 26.036 27.396 5.051) 38.130 3.792 ( 6.365 -7.963 -0.139) 10.195 4.154 ( 18.285 -3.001 8.352) 20.325 4.566 ( -17.599 -5.662 -7.164) 19.827 4.645 ( -2.455 -3.285 -4.978) 6.450 4.801 ( 4.403 10.822 5.516) 12.920 5.030 ( 8.604 6.838 -2.667) 11.309 5.210 ( 2.098 2.676 1.730) 3.815 5.238 ( 2.262 -0.992 -7.328) 7.733 5.685 ( 1.106 -5.804 7.897) 9.862 6.040 ( 0.934 -0.333 -17.114) 17.142 6.135 ( 18.747 32.157 -3.937) 37.430 6.341 ( -6.361 7.901 -1.774) 10.298 6.649 ( -5.902 -6.832 4.501) 10.088 6.795 ( 2.944 3.611 0.596) 4.697 7.209 ( 12.522 3.956 -3.025) 13.476 7.216 ( 2.459 -5.253 -3.114) 6.583 7.399 ( 3.110 2.739 -3.672) 5.537 7.633 ( -3.657 0.544 6.682) 7.637 7.723 ( 5.942 -4.225 6.925) 10.055 7.810 ( 4.513 0.001 -0.636) 4.558 8.164 ( -3.268 -6.948 -4.045) 8.679 8.286 ( -3.475 -0.135 -3.307) 4.799 8.553 ( 13.194 -3.498 3.157) 14.010 8.764 ( 8.096 0.323 -5.786) 9.956 9.056 ( 7.093 3.951 -5.337) 9.716 9.275 ( -1.587 3.693 10.526) 11.268 9.416 ( -5.491 11.138 -0.390) 12.424 9.762 ( -12.164 -3.619 -3.426) 13.145 10.030 ( 7.119 -6.405 9.133) 13.233 10.386 ( -3.728 -0.814 3.508) 5.184 10.579 ( -9.215 4.181 3.434) 10.686 10.818 ( 0.359 -9.667 11.647) 15.140 11.343 ( -1.391 -12.752 6.566) 14.410 11.498 ( 0.244 -5.242 7.837) 9.432 11.616 ( -4.351 -9.224 2.847) 10.589 12.113 ( -0.720 -2.406 -1.182) 2.775 12.213 ( 4.816 -4.926 4.684) 8.330 12.344 ( -2.531 4.009 5.946) 7.604 12.954 ( 4.717 8.588 6.351) 11.677 13.431 ( -2.468 -4.094 17.450) 18.093 14.727 ( -10.426 -12.603 -28.075) 32.492 15.147 ( -10.373 1.419 -21.383) 23.809 15.769 ( -0.341 2.264 -10.710) 10.952 16.203 ( 2.780 9.965 8.727) 13.534 16.520 ( 2.274 5.490 -10.446) 12.018 16.866 ( 7.422 10.568 1.383) 12.987 18.000 ( -5.649 -7.887 -4.331) 10.624 18.412 ( 29.095 -1.504 -1.852) 29.192 19.511 ( -5.678 3.661 -0.332) 6.764 19.990 ( -0.006 0.544 29.104) 29.109 20.765 ( -6.295 -11.740 17.617) 22.087 20.948 ( -24.173 -15.155 -14.135) 31.840 21.115 ( -6.759 1.899 6.158) 9.338 22.501 ( -7.655 5.551 -0.273) 9.460 22.724 ( 9.048 2.899 3.353) 10.075 23.217 ( 20.757 -23.643 5.756) 31.984 23.459 ( -7.046 10.154 11.903) 17.159 24.084 ( -9.130 1.334 -13.623) 16.454 24.315 ( 5.959 12.108 -4.157) 14.120 24.669 ( 2.612 4.424 1.097) 5.253 ======================= Grid point 17 (15/96) ======================= q-point: (-0.26 -0.03 0.46) 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.58e-05 8.58e-05 Number of triplets: 246 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.444 ( 2.361 -7.708 1.155) 8.144 1.600 ( 9.684 -1.628 8.443) 12.950 1.642 ( 9.636 -0.494 0.228) 9.652 1.669 ( 0.244 -0.206 -0.217) 0.386 1.798 ( -0.597 -3.756 3.095) 4.904 2.128 ( -1.150 4.119 5.929) 7.310 2.186 ( 2.016 -0.067 1.179) 2.336 2.701 ( 7.169 -0.782 10.137) 12.441 2.966 ( 16.281 8.516 -14.519) 23.418 3.481 ( 3.258 0.121 -4.348) 5.434 3.537 ( 15.185 7.283 -12.886) 21.206 3.728 ( -2.182 -8.379 -16.261) 18.423 4.066 ( 0.502 -1.851 -12.478) 12.624 4.290 ( 7.284 5.958 13.265) 16.264 4.448 ( 3.023 5.176 1.309) 6.136 4.553 ( -18.546 -3.551 -3.258) 19.162 4.773 ( 1.057 3.987 -5.869) 7.174 5.151 ( -4.485 -1.262 -5.997) 7.594 5.457 ( 14.514 1.936 4.213) 15.236 5.527 ( 1.530 -3.932 -0.495) 4.248 5.707 ( 17.576 -2.829 7.550) 19.337 5.948 ( 0.147 -3.360 -3.823) 5.092 6.229 ( 2.462 -3.981 -7.420) 8.773 6.499 ( -6.633 -10.904 0.659) 12.780 6.814 ( 2.246 3.282 -4.515) 6.017 6.927 ( 21.208 18.728 -0.639) 28.301 7.119 ( -5.147 -5.123 5.151) 8.903 7.358 ( -9.017 5.305 3.574) 11.055 7.422 ( 10.074 7.338 -1.140) 12.515 7.613 ( -1.517 -3.326 -2.162) 4.247 7.721 ( -4.763 1.231 -1.899) 5.274 7.966 ( 10.226 0.284 -7.047) 12.422 8.075 ( 2.774 -1.312 3.410) 4.587 8.557 ( 1.868 -5.426 -15.113) 16.165 8.637 ( 4.771 -10.413 7.854) 13.888 8.942 ( -2.820 6.510 -5.322) 8.869 9.072 ( 1.480 8.160 4.514) 9.442 9.306 ( 9.817 6.883 -4.286) 12.733 9.462 ( 2.492 3.683 -5.164) 6.815 9.598 ( -11.913 4.673 -3.179) 13.186 9.938 ( -6.774 -1.451 9.388) 11.668 10.049 ( -1.708 -1.193 12.234) 12.410 10.366 ( -2.804 -6.277 12.375) 14.156 10.479 ( -2.408 -0.139 14.186) 14.390 11.081 ( -8.573 -1.060 3.472) 9.310 11.344 ( 1.385 -2.009 11.768) 12.018 11.534 ( -4.450 -17.683 -3.696) 18.605 12.017 ( -0.305 3.467 12.023) 12.516 12.185 ( -4.956 2.441 -5.629) 7.887 12.326 ( 3.988 -2.301 -3.074) 5.536 12.865 ( 1.487 1.258 9.059) 9.266 13.028 ( -1.627 -4.218 16.542) 17.149 14.999 ( -12.042 -0.883 -21.193) 24.391 15.537 ( -8.224 4.822 -31.497) 32.908 15.948 ( 2.701 11.276 2.845) 11.938 16.218 ( 7.310 -8.358 -8.622) 14.059 16.768 ( 4.982 -3.353 -4.038) 7.237 16.961 ( 7.688 12.935 4.079) 15.591 17.963 ( -9.868 -8.776 -7.729) 15.301 19.066 ( 29.294 2.275 -2.407) 29.480 19.366 ( 4.028 4.753 27.417) 28.116 19.449 ( -2.253 6.438 3.833) 7.824 20.146 ( -15.047 -11.041 18.459) 26.250 20.683 ( -5.422 8.238 17.378) 19.982 20.957 ( -23.020 -23.553 -24.165) 40.849 22.244 ( -7.471 7.192 4.452) 11.286 22.742 ( -3.940 3.928 6.524) 8.574 23.162 ( 7.152 13.435 11.175) 18.883 23.686 ( 18.001 -20.702 -9.582) 29.059 24.153 ( -7.145 0.351 -7.872) 10.637 24.509 ( 3.963 5.658 -3.810) 7.889 24.683 ( 2.220 2.381 2.239) 3.951 ======================= Grid point 18 (16/96) ======================= q-point: (-0.40 -0.03 0.60) 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.58e-05 8.58e-05 Number of triplets: 246 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.419 ( -1.245 -6.370 2.741) 7.045 1.578 ( 5.399 -5.160 4.847) 8.903 1.645 ( -2.524 -1.400 0.153) 2.890 1.694 ( -0.521 -2.650 2.036) 3.382 1.873 ( 1.613 6.589 -1.721) 6.999 1.989 ( 3.790 6.639 6.228) 9.861 2.254 ( 4.034 -5.547 -2.297) 7.233 2.389 ( 1.165 -3.867 17.456) 17.917 3.405 ( -18.732 3.381 -4.763) 19.621 3.546 ( 5.392 13.771 -9.245) 17.441 3.727 ( -25.612 1.563 5.663) 26.277 3.964 ( -0.811 5.054 -6.352) 8.158 4.133 ( -2.442 -0.687 -11.696) 11.968 4.250 ( 20.867 -1.501 -2.829) 21.111 4.422 ( 5.696 8.020 7.839) 12.578 4.712 ( 12.928 -3.405 -4.459) 14.093 4.980 ( -7.654 0.300 -2.476) 8.050 5.062 ( -4.592 -0.843 8.473) 9.674 5.236 ( 3.791 6.921 -0.121) 7.893 5.492 ( 10.769 -2.520 12.636) 16.793 5.926 ( 2.142 -11.034 -14.123) 18.050 6.244 ( -7.742 -7.796 11.801) 16.124 6.348 ( -1.460 -2.337 3.257) 4.266 6.526 ( 14.767 -18.116 -7.450) 24.530 6.743 ( -3.307 -3.097 -0.959) 4.631 6.935 ( -0.460 -0.485 6.031) 6.068 7.181 ( -1.530 -0.427 -0.891) 1.821 7.239 ( 4.065 4.160 3.361) 6.718 7.488 ( -3.084 1.110 -4.465) 5.539 7.658 ( 6.899 2.794 3.056) 8.046 7.777 ( 2.138 4.922 -2.679) 5.998 8.002 ( 6.779 3.566 12.001) 14.237 8.322 ( 2.909 -10.307 -9.799) 14.516 8.361 ( -11.137 -6.116 7.231) 14.619 8.904 ( -1.046 5.291 -6.811) 8.688 9.024 ( 2.553 1.972 -1.017) 3.383 9.160 ( 3.002 2.491 -11.042) 11.710 9.309 ( -8.536 2.981 14.802) 17.345 9.499 ( -6.370 9.136 -3.815) 11.773 9.572 ( 1.396 3.056 -5.496) 6.442 9.635 ( 2.139 5.167 -1.472) 5.783 9.918 ( -1.042 0.027 5.349) 5.449 10.067 ( -2.784 -5.223 4.939) 7.709 10.193 ( 0.619 0.776 9.601) 9.652 10.971 ( -5.711 1.858 -5.778) 8.334 11.165 ( -0.058 -0.249 4.765) 4.772 11.531 ( -8.301 -6.068 -5.064) 11.462 11.776 ( 1.763 -4.029 7.553) 8.740 12.313 ( -2.330 -1.557 -12.515) 12.825 12.452 ( 1.256 0.785 -0.960) 1.765 12.651 ( -2.017 -4.233 7.093) 8.503 12.753 ( 0.793 -0.742 10.294) 10.351 15.236 ( -6.226 8.764 -20.025) 22.728 15.751 ( 7.054 4.203 8.553) 11.857 16.119 ( -1.732 4.715 -19.322) 19.964 16.560 ( 6.505 -7.763 -0.783) 10.158 16.836 ( 5.086 -1.617 1.346) 5.504 16.951 ( 1.876 1.101 8.608) 8.878 18.035 ( -10.075 -0.799 -20.379) 22.748 18.793 ( 8.532 -0.044 33.928) 34.984 19.325 ( -16.690 1.537 9.046) 19.046 19.421 ( 0.162 -3.890 -4.425) 5.894 19.838 ( -1.273 15.639 -10.282) 18.759 20.236 ( 5.702 5.469 16.266) 18.084 21.154 ( -16.352 -25.260 -30.790) 43.052 22.054 ( 10.572 -12.432 17.346) 23.816 22.458 ( -24.733 22.327 -11.295) 35.182 23.252 ( 21.392 9.650 11.065) 25.946 23.998 ( -7.350 -5.936 0.673) 9.472 24.229 ( 14.674 -12.562 -2.024) 19.422 24.605 ( -0.018 1.768 -0.676) 1.893 24.669 ( 2.899 4.772 2.718) 6.210 ======================= Grid point 19 (17/96) ======================= q-point: ( 0.46 -0.03 -0.26) 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.58e-05 8.58e-05 Number of triplets: 246 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.246 ( -10.840 8.077 2.416) 13.732 1.506 ( -5.064 -4.109 4.834) 8.118 1.602 ( 6.407 -4.991 5.707) 9.926 1.656 ( -1.310 -1.372 -0.098) 1.900 1.827 ( 3.140 0.845 1.685) 3.663 2.080 ( 3.712 10.286 -1.267) 11.008 2.192 ( 1.089 -1.283 2.509) 3.021 2.456 ( 2.766 -0.524 -5.864) 6.504 2.952 ( -23.682 3.100 3.472) 24.135 3.162 ( -11.457 0.116 3.893) 12.101 3.681 ( -0.764 13.442 2.445) 13.684 3.938 ( -8.971 4.439 11.521) 15.262 4.121 ( -6.380 6.249 10.104) 13.485 4.166 ( -2.746 4.236 4.122) 6.517 4.531 ( 3.614 1.020 7.945) 8.788 4.672 ( -7.610 -6.724 2.677) 10.502 5.007 ( 9.191 0.662 1.570) 9.348 5.099 ( 0.531 -3.683 -5.591) 6.716 5.286 ( 5.742 1.717 2.045) 6.333 5.570 ( -6.627 -3.324 10.826) 13.121 5.790 ( 2.946 -1.397 9.498) 10.042 6.067 ( 9.627 -3.858 5.171) 11.589 6.262 ( 1.689 -2.282 -2.721) 3.932 6.607 ( -1.208 -1.421 3.965) 4.381 6.756 ( -1.902 0.858 3.904) 4.426 6.915 ( 1.246 4.002 1.501) 4.452 7.179 ( -7.159 1.962 -4.151) 8.505 7.245 ( 10.515 -8.908 4.689) 14.557 7.483 ( -2.844 -0.429 -1.343) 3.174 7.576 ( -7.380 -2.799 3.815) 8.766 7.814 ( -7.868 5.018 4.908) 10.543 7.904 ( 1.197 2.331 4.633) 5.323 8.047 ( 5.023 6.101 1.627) 8.069 8.458 ( -2.789 -14.722 -1.817) 15.094 8.729 ( -8.055 1.218 9.600) 12.591 8.917 ( -7.597 1.707 6.527) 10.160 9.006 ( -5.123 7.884 1.954) 9.603 9.368 ( 1.706 8.489 -2.943) 9.146 9.492 ( -4.298 -0.209 10.620) 11.459 9.657 ( -5.430 0.176 -13.105) 14.187 9.760 ( 3.739 0.806 -11.067) 11.710 9.884 ( 9.004 -2.405 0.395) 9.328 10.248 ( 0.785 -4.585 -12.731) 13.554 10.261 ( 6.892 -2.064 -12.959) 14.822 10.988 ( -9.976 2.486 -8.030) 13.045 11.192 ( 6.135 0.039 -1.133) 6.239 11.458 ( -10.401 -6.619 -10.999) 16.522 11.815 ( 1.506 -4.992 -4.172) 6.678 12.335 ( 0.274 -0.310 7.867) 7.878 12.427 ( -0.551 0.431 6.443) 6.481 12.679 ( -1.684 -0.500 -14.261) 14.369 12.716 ( 0.263 -0.349 -6.753) 6.767 15.523 ( 0.003 7.857 -10.742) 13.309 15.767 ( 16.102 2.146 8.973) 18.558 16.293 ( 2.332 -4.823 14.666) 15.614 16.416 ( 2.673 4.343 10.475) 11.651 16.694 ( -1.808 -0.132 10.579) 10.733 16.951 ( 3.210 2.230 1.974) 4.379 18.282 ( -5.159 -11.063 1.889) 12.352 18.448 ( -15.233 -0.318 -19.284) 24.577 18.731 ( -10.822 10.105 10.048) 17.893 19.503 ( -0.875 -2.290 -3.769) 4.496 19.964 ( 1.592 -0.668 -12.554) 12.672 20.474 ( 5.560 2.374 -15.053) 16.221 21.468 ( -15.919 -7.423 -27.723) 32.819 21.968 ( 19.919 -20.443 19.421) 34.523 22.336 ( -16.692 25.560 -16.713) 34.803 23.395 ( 3.895 -6.854 6.543) 10.245 23.713 ( 5.038 3.936 15.758) 17.006 24.471 ( 4.542 1.858 4.924) 6.952 24.539 ( 2.474 -1.334 1.614) 3.241 24.689 ( 3.368 1.714 3.449) 5.116 ======================= Grid point 20 (18/96) ======================= q-point: ( 0.31 -0.03 -0.11) 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.58e-05 8.58e-05 Number of triplets: 246 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.012 ( -5.671 19.014 4.922) 20.443 1.277 ( -7.519 5.317 7.350) 11.782 1.614 ( 1.758 0.951 1.512) 2.506 1.647 ( 2.915 2.058 0.910) 3.683 1.849 ( 0.441 1.331 2.321) 2.711 2.081 ( -4.274 13.095 0.778) 13.797 2.228 ( 2.674 1.480 -0.435) 3.087 2.541 ( -2.170 -0.258 3.026) 3.733 2.669 ( 4.295 1.807 6.419) 7.932 2.982 ( -4.965 5.816 1.327) 7.761 3.227 ( -20.164 10.504 14.230) 26.822 3.469 ( -0.665 1.265 11.584) 11.672 3.792 ( -2.631 14.117 14.093) 20.120 4.153 ( 3.857 5.877 7.757) 10.468 4.395 ( -7.191 2.112 -1.017) 7.564 4.503 ( -10.911 -1.279 -5.257) 12.178 4.638 ( -14.551 -0.766 4.991) 15.403 5.029 ( 1.554 8.209 5.789) 10.164 5.333 ( -3.407 11.153 1.880) 11.812 5.502 ( 3.327 -9.485 -2.317) 10.315 5.732 ( 18.364 -2.091 16.186) 24.569 6.077 ( -2.842 19.035 14.530) 24.115 6.357 ( 4.371 -6.261 -0.592) 7.659 6.600 ( -3.368 2.615 5.965) 7.332 6.682 ( 10.016 1.380 -7.013) 12.305 6.755 ( 5.411 4.278 15.935) 17.363 7.029 ( -14.833 4.358 5.436) 16.388 7.254 ( -3.371 -3.213 -3.440) 5.790 7.403 ( -9.972 -2.497 1.245) 10.355 7.540 ( 1.289 0.201 -6.420) 6.551 7.600 ( -0.026 -4.604 -2.415) 5.199 7.836 ( 5.937 1.083 10.255) 11.899 8.198 ( -2.295 -1.268 -3.167) 4.112 8.305 ( -7.405 -9.326 6.270) 13.458 8.410 ( -2.618 -1.793 7.400) 8.052 8.659 ( -10.010 4.217 3.129) 11.304 8.997 ( -2.339 6.352 -12.747) 14.432 9.133 ( -5.028 -0.260 10.734) 11.856 9.489 ( 3.700 4.509 -2.556) 6.368 9.762 ( -0.823 -3.915 -2.453) 4.693 9.990 ( 6.686 -5.411 -0.071) 8.601 10.198 ( 1.594 -0.417 -18.883) 18.955 10.449 ( -12.667 -7.455 -12.150) 19.070 10.645 ( 6.328 -7.474 -8.795) 13.163 10.984 ( -4.538 7.322 -8.636) 12.197 11.431 ( 7.338 -6.890 -9.238) 13.662 11.585 ( -4.039 -8.172 -12.650) 15.592 11.915 ( -2.965 -0.820 -5.961) 6.708 12.176 ( -2.716 -3.269 6.691) 7.927 12.330 ( 1.875 3.442 -0.012) 3.920 12.775 ( -1.971 7.603 -4.544) 9.074 13.098 ( 1.379 -2.539 -19.907) 20.116 15.526 ( 9.987 -14.840 25.890) 31.468 15.782 ( -0.566 -6.277 14.261) 15.591 16.023 ( 5.759 13.887 6.254) 16.283 16.113 ( 3.099 3.217 15.939) 16.553 16.644 ( -1.859 7.740 -3.621) 8.745 16.936 ( 12.882 7.817 9.661) 17.899 17.897 ( -19.490 -6.626 -1.108) 20.616 18.324 ( 3.323 -5.546 12.817) 14.356 19.106 ( -9.371 -0.144 -44.516) 45.492 19.575 ( 1.825 2.762 -2.267) 4.013 20.417 ( 3.942 -9.552 -22.093) 24.390 20.805 ( -8.035 -9.029 -19.123) 22.623 21.639 ( -14.271 18.560 -19.212) 30.285 21.991 ( 17.691 -19.419 15.115) 30.307 22.527 ( -1.293 16.389 -17.021) 23.664 22.951 ( -18.304 -21.309 13.331) 31.094 23.740 ( 16.191 14.291 10.803) 24.147 24.280 ( -5.738 12.193 6.586) 14.999 24.568 ( 6.939 -1.852 11.378) 13.455 24.645 ( -0.128 2.042 1.934) 2.816 ======================= Grid point 21 (19/96) ======================= q-point: (-0.24 -0.04 0.04) 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.58e-05 8.58e-05 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.000 ( -0.000 -31.068 -3.167) 31.229 1.170 ( -0.000 -8.301 -12.506) 15.010 1.616 ( 0.000 1.312 -1.106) 1.716 1.738 ( -0.000 -3.458 0.561) 3.503 1.818 ( -0.000 -7.248 -6.972) 10.057 2.026 ( -0.000 -11.562 -1.967) 11.728 2.258 ( -0.000 -1.433 -0.793) 1.638 2.519 ( -0.000 1.575 -6.374) 6.565 2.760 ( -0.000 -6.112 -1.779) 6.366 2.925 ( -0.000 -0.930 -6.384) 6.452 3.002 ( -0.000 -26.741 -20.679) 33.803 3.493 ( -0.000 -2.679 -7.987) 8.424 3.768 ( -0.000 -16.514 -15.114) 22.387 4.274 ( 0.000 3.317 -1.480) 3.632 4.282 ( -0.000 1.086 -6.135) 6.231 4.345 ( 0.000 -1.937 6.205) 6.500 4.453 ( 0.000 4.396 -5.826) 7.299 5.089 ( -0.000 -7.503 -1.038) 7.575 5.261 ( -0.000 -23.557 -4.447) 23.973 5.536 ( 0.000 8.512 -0.892) 8.559 5.910 ( -0.000 -5.999 -14.007) 15.237 6.169 ( -0.000 -3.293 -16.076) 16.410 6.334 ( 0.000 4.176 -2.196) 4.718 6.573 ( 0.000 4.599 -7.225) 8.564 6.742 ( -0.000 0.042 -1.539) 1.540 6.787 ( -0.000 -3.319 -9.958) 10.496 6.915 ( -0.000 -13.510 1.070) 13.553 7.218 ( -0.000 -8.600 -1.989) 8.827 7.300 ( 0.000 8.316 0.091) 8.317 7.511 ( 0.000 -0.243 12.349) 12.351 7.617 ( 0.000 3.335 0.838) 3.439 8.006 ( 0.000 10.434 -15.144) 18.391 8.044 ( -0.000 0.114 -0.282) 0.304 8.254 ( 0.000 11.721 -8.566) 14.518 8.384 ( -0.000 -1.088 -4.083) 4.226 8.544 ( -0.000 -5.249 -2.501) 5.814 8.971 ( 0.000 -5.107 14.630) 15.495 9.085 ( -0.000 -0.419 -9.822) 9.831 9.523 ( 0.000 0.437 2.085) 2.130 9.800 ( 0.000 7.590 -3.637) 8.417 10.071 ( 0.000 5.991 3.087) 6.739 10.148 ( 0.000 8.081 11.406) 13.979 10.283 ( 0.000 -6.436 18.371) 19.466 10.720 ( 0.000 8.067 7.657) 11.122 10.960 ( -0.000 -11.486 7.652) 13.802 11.516 ( 0.000 5.576 17.223) 18.103 11.523 ( 0.000 8.682 10.875) 13.916 11.883 ( 0.000 1.231 4.487) 4.653 12.147 ( -0.000 3.348 -9.222) 9.811 12.348 ( -0.000 -3.607 1.292) 3.832 12.755 ( -0.000 -8.960 3.755) 9.714 13.112 ( 0.000 1.785 20.425) 20.503 15.636 ( -0.000 13.465 -33.750) 36.337 15.752 ( 0.000 8.131 0.327) 8.138 16.064 ( -0.000 -10.077 -12.969) 16.423 16.170 ( -0.000 -3.491 -18.443) 18.771 16.624 ( -0.000 -10.773 4.222) 11.571 17.177 ( -0.000 -2.134 -8.164) 8.438 17.656 ( 0.000 6.480 5.892) 8.758 18.369 ( -0.000 6.396 -14.739) 16.067 18.972 ( 0.000 1.186 47.175) 47.190 19.592 ( -0.000 -2.753 3.399) 4.374 20.526 ( 0.000 9.133 15.807) 18.256 20.588 ( 0.000 7.953 26.691) 27.851 21.489 ( -0.000 -31.445 15.175) 34.915 22.240 ( 0.000 15.991 -5.124) 16.792 22.593 ( -0.000 -11.491 16.284) 19.930 22.649 ( 0.000 23.598 -24.458) 33.986 23.932 ( -0.000 -11.686 -12.292) 16.960 24.191 ( -0.000 -14.845 -6.019) 16.019 24.638 ( -0.000 -1.569 -0.804) 1.763 24.646 ( -0.000 1.818 -13.211) 13.335 ======================= Grid point 22 (20/96) ======================= q-point: (-0.39 -0.04 0.19) 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.58e-05 8.58e-05 Number of triplets: 245 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.089 ( 4.758 -22.226 -6.740) 23.708 1.417 ( 3.585 -1.872 -5.652) 6.950 1.633 ( 0.457 1.775 0.001) 1.833 1.732 ( -5.256 5.450 -5.312) 9.249 1.906 ( -4.308 -1.393 -4.586) 6.445 2.129 ( 0.431 -11.035 -6.539) 12.834 2.243 ( -4.751 1.019 -1.709) 5.150 2.500 ( -2.195 -0.719 3.190) 3.938 2.676 ( 3.968 -4.534 5.053) 7.864 3.009 ( 3.978 4.605 -4.561) 7.605 3.657 ( 1.379 -10.837 -2.555) 11.220 3.761 ( 8.665 -11.839 -27.517) 31.184 4.071 ( -1.606 -0.734 -6.678) 6.907 4.106 ( 3.255 -1.707 -10.122) 10.769 4.393 ( 10.555 5.248 3.978) 12.441 4.654 ( 0.179 6.735 -10.753) 12.689 4.975 ( 7.697 -1.751 -19.682) 21.206 5.136 ( 0.553 1.438 -5.529) 5.740 5.344 ( 3.935 -4.239 -2.294) 6.222 5.475 ( -6.153 2.444 -0.943) 6.687 6.005 ( -14.165 -0.015 -3.356) 14.557 6.285 ( -3.708 -3.063 -2.763) 5.546 6.312 ( -7.950 4.009 -1.631) 9.052 6.575 ( -0.051 -0.426 -0.921) 1.016 6.764 ( -1.466 -2.311 -5.709) 6.331 6.945 ( -1.530 -5.781 0.849) 6.040 7.081 ( 4.513 -5.520 -0.445) 7.144 7.209 ( 10.864 4.449 0.410) 11.747 7.395 ( 6.239 2.455 3.158) 7.411 7.536 ( 7.567 -4.491 -8.993) 12.582 7.606 ( -3.993 8.926 -6.696) 11.852 8.003 ( -4.688 0.089 -5.674) 7.361 8.138 ( -0.980 -0.853 -0.479) 1.385 8.413 ( 1.002 8.839 -4.857) 10.135 8.617 ( 2.611 -0.678 -6.567) 7.100 8.746 ( 8.346 -2.222 -8.051) 11.808 8.899 ( 6.428 -6.858 -3.531) 10.041 9.265 ( 6.860 -0.305 0.001) 6.866 9.539 ( -4.214 2.741 -8.234) 9.647 9.628 ( -4.178 -0.573 11.312) 12.073 9.823 ( -2.243 0.870 13.315) 13.531 10.016 ( -2.962 4.886 -0.500) 5.736 10.176 ( 7.787 4.956 13.774) 16.581 10.419 ( -8.568 1.816 12.412) 15.190 10.819 ( 5.399 -8.177 7.542) 12.365 11.223 ( 12.008 3.140 20.781) 24.206 11.304 ( -4.133 1.374 2.417) 4.981 11.821 ( 0.649 5.959 2.767) 6.602 12.351 ( -1.323 -0.144 -8.362) 8.467 12.410 ( 1.283 -0.941 -7.097) 7.273 12.663 ( -0.120 -2.507 14.733) 14.945 12.707 ( 1.122 -2.756 8.583) 9.084 15.520 ( 0.003 -11.406 16.090) 19.723 16.012 ( -6.040 9.150 -3.785) 11.598 16.390 ( -8.594 2.285 -13.420) 16.099 16.514 ( -6.424 -5.587 -22.425) 23.987 16.670 ( 0.927 -3.504 -13.603) 14.077 17.089 ( -12.337 -0.658 -2.720) 12.650 17.910 ( 25.886 5.166 -4.098) 26.712 18.212 ( 9.016 1.141 33.258) 34.477 18.731 ( -3.528 2.111 -21.372) 21.764 19.474 ( 1.712 5.041 9.381) 10.786 20.010 ( -3.689 0.933 14.923) 15.401 20.416 ( 10.992 11.042 18.132) 23.906 21.217 ( 7.911 -24.323 20.149) 32.561 22.077 ( 5.169 -15.806 16.925) 23.727 22.373 ( -15.353 14.329 -10.455) 23.459 23.246 ( 10.679 22.218 -14.173) 28.435 23.995 ( -15.794 -12.649 -13.015) 24.059 24.413 ( 5.722 -9.991 -6.235) 13.093 24.628 ( -2.410 3.400 0.300) 4.178 24.795 ( -6.164 2.262 -7.402) 9.895 ======================= Grid point 23 (21/96) ======================= q-point: (-0.53 -0.04 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.58e-05 8.58e-05 Number of triplets: 245 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.421 ( -0.683 -0.103 -12.492) 12.512 1.558 ( 4.759 -1.142 -2.847) 5.662 1.651 ( 2.968 1.574 -0.357) 3.379 1.685 ( -4.231 5.390 -1.197) 6.956 1.889 ( -2.456 -4.972 -1.995) 5.894 2.107 ( -7.608 -4.125 -2.039) 8.891 2.361 ( -6.226 5.220 -2.812) 8.598 2.427 ( -2.108 2.881 -17.201) 17.567 2.893 ( 27.237 -4.216 5.998) 28.207 3.301 ( 15.129 3.638 -5.936) 16.654 3.617 ( 0.436 -14.501 5.630) 15.561 3.983 ( -4.197 -1.315 4.719) 6.451 4.141 ( -2.987 2.590 3.517) 5.292 4.519 ( -4.738 -5.262 -16.358) 17.824 4.557 ( 8.656 2.378 -4.343) 9.972 4.737 ( -7.327 0.356 2.151) 7.645 4.991 ( -7.559 -0.114 5.840) 9.553 5.055 ( -3.036 2.068 -1.880) 4.126 5.381 ( -9.018 -0.907 -6.320) 11.050 5.703 ( -9.340 4.883 -1.952) 10.718 5.896 ( 6.717 8.378 -1.925) 10.909 6.056 ( 5.581 4.581 1.127) 7.308 6.391 ( -4.123 2.811 -13.362) 14.263 6.645 ( -0.279 -0.154 5.677) 5.686 6.741 ( -0.636 5.963 -2.817) 6.625 6.959 ( -2.375 -0.774 -5.043) 5.628 7.102 ( 3.901 -2.494 4.206) 6.255 7.359 ( -2.759 1.544 -1.741) 3.609 7.461 ( -0.539 5.505 0.892) 5.603 7.688 ( 1.498 6.916 -7.844) 10.564 7.890 ( -6.004 -5.277 2.731) 8.447 8.072 ( 12.918 3.304 -15.799) 20.674 8.187 ( -8.011 -5.772 -9.418) 13.645 8.357 ( -2.617 17.260 9.336) 19.797 8.809 ( 9.404 -5.253 0.699) 10.794 9.032 ( 0.329 -7.241 1.965) 7.510 9.141 ( 6.585 1.063 -4.147) 7.855 9.222 ( -1.781 -2.838 0.519) 3.391 9.393 ( 9.746 -1.314 10.296) 14.238 9.555 ( -4.582 -13.268 -1.131) 14.082 9.762 ( -5.128 -0.505 -3.073) 6.000 9.853 ( 0.957 2.641 10.052) 10.437 10.088 ( -3.152 3.049 -6.302) 7.678 10.159 ( 4.244 -0.033 -3.852) 5.731 10.846 ( 7.389 -3.924 5.467) 9.995 11.119 ( 7.240 4.464 6.224) 10.539 11.360 ( 6.099 -5.038 -2.789) 8.388 11.801 ( -0.596 6.110 -2.383) 6.585 12.254 ( 3.407 1.378 16.624) 17.026 12.479 ( -1.777 -2.649 -2.597) 4.113 12.626 ( 0.606 2.898 -6.617) 7.250 12.745 ( 1.691 -1.967 -8.939) 9.308 15.160 ( 2.057 -11.350 20.132) 23.203 15.805 ( 1.809 0.093 17.097) 17.193 16.241 ( -14.581 -5.551 -1.612) 15.685 16.697 ( -7.651 8.579 -0.037) 11.496 16.929 ( -3.983 4.691 -2.792) 6.758 16.999 ( -3.219 -2.879 -14.407) 15.040 17.848 ( 9.169 -0.979 18.882) 21.013 18.726 ( 23.057 6.435 -23.723) 33.702 19.109 ( -4.914 -5.303 -22.563) 23.693 19.327 ( 7.434 7.221 11.497) 15.478 19.847 ( -1.501 -16.787 2.377) 17.021 20.291 ( 4.241 6.506 -0.072) 7.767 20.949 ( 5.281 8.072 20.876) 22.997 21.910 ( 17.531 -28.476 20.151) 39.042 22.373 ( -9.442 12.294 -13.832) 20.775 23.518 ( -4.343 11.092 -5.634) 13.178 23.984 ( -8.153 -7.875 -9.799) 14.984 24.485 ( -10.107 10.629 2.723) 14.918 24.591 ( 1.263 -2.085 -3.574) 4.326 24.759 ( -6.452 -2.077 -3.149) 7.474 ======================= Grid point 24 (22/96) ======================= q-point: ( 0.33 -0.04 -0.53) 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.58e-05 8.58e-05 Number of triplets: 245 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.479 ( -1.319 8.176 -2.065) 8.535 1.648 ( 1.927 -0.188 -0.155) 1.943 1.658 ( -1.218 0.603 -1.357) 1.921 1.776 ( 0.640 -0.200 0.286) 0.729 1.910 ( -10.995 1.116 -10.365) 15.152 2.126 ( -0.739 -3.131 -10.747) 11.219 2.238 ( -4.325 3.171 -0.556) 5.392 2.840 ( -5.979 8.334 -15.599) 18.669 3.185 ( 4.856 -3.000 9.331) 10.938 3.388 ( 5.459 -7.414 -0.011) 9.207 3.633 ( -0.535 8.667 23.376) 24.937 3.811 ( 6.337 3.437 0.370) 7.219 4.076 ( 7.402 -7.921 -4.601) 11.777 4.107 ( -11.971 -3.204 15.372) 19.746 4.474 ( -6.560 5.601 7.392) 11.360 4.608 ( -11.621 0.917 -2.629) 11.950 4.929 ( -7.660 -9.423 -5.583) 13.366 5.118 ( 1.481 2.638 5.853) 6.589 5.375 ( 6.639 0.811 -12.818) 14.458 5.735 ( -11.277 2.092 -6.454) 13.160 5.882 ( -4.829 -4.646 -6.821) 9.562 6.205 ( 5.338 13.273 7.508) 16.156 6.306 ( -21.780 24.342 10.908) 34.437 6.465 ( -6.636 0.016 -1.333) 6.769 6.781 ( 2.568 -3.582 -0.744) 4.470 7.052 ( 4.082 2.689 -7.877) 9.270 7.216 ( 4.147 -3.798 -1.552) 5.833 7.296 ( -5.207 -6.948 -6.094) 10.608 7.391 ( 4.525 1.599 3.021) 5.671 7.634 ( -10.219 -5.019 6.702) 13.211 7.795 ( -6.251 1.431 -4.183) 7.656 8.102 ( -1.382 6.310 7.911) 10.213 8.157 ( -7.400 -0.602 -0.173) 7.427 8.517 ( 4.591 0.569 4.342) 6.345 8.701 ( -1.287 3.056 -0.906) 3.438 8.898 ( 0.402 -5.742 9.332) 10.964 9.069 ( 2.609 -4.010 -0.048) 4.784 9.363 ( 7.937 -10.648 3.122) 13.643 9.430 ( 4.836 -2.920 4.814) 7.422 9.567 ( -11.705 -5.050 1.862) 12.884 9.786 ( 7.336 -0.816 -12.504) 14.520 9.946 ( 7.748 0.378 -3.666) 8.580 10.262 ( 6.265 2.722 -12.703) 14.423 10.528 ( -2.186 3.834 -17.468) 18.017 10.942 ( 5.574 -1.631 -3.631) 6.850 11.224 ( 10.373 8.298 0.004) 13.283 11.491 ( 1.870 4.109 -2.142) 4.997 11.971 ( 3.867 -3.800 -10.070) 11.437 12.080 ( 6.027 -0.560 9.644) 11.386 12.396 ( -3.266 1.003 2.294) 4.115 12.873 ( 0.600 0.469 -12.522) 12.546 13.004 ( 0.986 1.753 -14.061) 14.204 14.823 ( 6.352 -4.729 20.513) 21.989 15.385 ( 7.568 -4.856 31.829) 33.075 16.023 ( -4.894 -6.154 6.025) 9.906 16.406 ( -12.505 8.588 0.539) 15.180 16.870 ( -5.278 5.347 3.436) 8.261 17.120 ( -8.384 -11.196 -8.079) 16.153 17.768 ( 9.909 6.613 7.342) 13.994 19.294 ( 8.606 -3.612 5.584) 10.877 19.393 ( -3.680 -2.162 -7.777) 8.871 19.590 ( -5.285 -2.578 -25.978) 26.635 19.826 ( 10.751 -2.707 -12.638) 16.812 20.586 ( 9.226 25.008 23.469) 35.515 20.657 ( 1.558 -4.434 -22.250) 22.741 21.910 ( 23.447 -27.154 19.303) 40.739 22.623 ( 5.404 3.550 -14.544) 15.916 23.423 ( -14.050 1.538 -5.440) 15.145 23.960 ( -8.116 8.077 2.470) 11.713 24.155 ( -9.831 7.737 5.227) 13.558 24.584 ( -3.803 -3.146 1.573) 5.180 24.742 ( -4.036 -2.205 -4.483) 6.422 ======================= Grid point 25 (23/96) ======================= q-point: ( 0.19 -0.04 -0.39) 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.58e-05 8.58e-05 Number of triplets: 245 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.485 ( -5.152 4.492 -2.181) 7.175 1.614 ( -8.615 0.381 2.852) 9.082 1.665 ( -0.117 -0.007 0.132) 0.177 1.679 ( -2.504 -2.028 -0.594) 3.276 1.927 ( -7.826 5.739 -5.379) 11.096 2.206 ( -1.479 -1.524 3.430) 4.034 2.245 ( -6.083 4.493 -5.382) 9.282 2.629 ( -18.808 -8.633 2.207) 20.812 2.845 ( -22.491 19.575 11.061) 31.802 3.176 ( 1.862 2.247 10.201) 10.610 3.339 ( -7.562 -4.115 5.732) 10.342 3.745 ( 10.106 3.578 -5.306) 11.962 3.985 ( -10.587 -8.168 -9.341) 16.311 4.213 ( 9.431 3.671 16.889) 19.689 4.510 ( 6.176 7.835 0.553) 9.992 4.620 ( -14.235 -13.390 -11.491) 22.671 4.801 ( -2.546 -1.762 -7.886) 8.472 5.078 ( 2.355 2.898 -0.309) 3.747 5.365 ( -15.832 4.163 12.886) 20.833 5.437 ( -14.419 0.953 6.261) 15.748 5.757 ( -7.792 0.903 1.966) 8.087 5.983 ( 11.648 -0.934 1.700) 11.809 6.225 ( -3.762 -1.767 -9.613) 10.473 6.506 ( 4.641 0.802 -0.201) 4.714 6.625 ( -18.224 -15.521 10.745) 26.239 6.883 ( -6.517 -16.421 4.561) 18.246 7.260 ( -5.092 5.934 -4.879) 9.217 7.414 ( -7.091 -3.765 -4.221) 9.071 7.518 ( 2.606 -1.908 -6.795) 7.523 7.547 ( -3.293 3.779 0.614) 5.050 7.727 ( 4.895 -2.899 -1.675) 5.931 7.900 ( -4.249 7.340 -0.474) 8.494 8.098 ( 0.018 4.135 0.541) 4.170 8.282 ( -1.749 4.191 9.887) 10.880 8.726 ( -1.963 1.610 4.137) 4.853 8.833 ( -2.211 -3.284 -0.999) 4.083 9.229 ( 3.703 -4.226 -7.411) 9.300 9.242 ( -11.980 -8.073 2.763) 14.709 9.356 ( 1.445 -2.111 4.338) 5.036 9.522 ( 11.794 -4.393 3.725) 13.125 9.991 ( 7.954 6.245 -0.394) 10.120 10.316 ( 10.049 -7.675 -8.918) 15.473 10.571 ( -11.808 2.549 -6.269) 13.610 10.755 ( 5.864 5.909 -13.847) 16.156 11.170 ( 10.554 2.463 -2.772) 11.186 11.433 ( 9.365 20.344 3.294) 22.637 11.629 ( -2.000 3.893 -13.323) 14.023 12.044 ( 5.591 0.848 5.786) 8.091 12.233 ( 3.208 -3.972 -5.289) 7.351 12.338 ( -1.997 -2.127 -3.513) 4.566 13.047 ( -4.767 -3.586 -8.227) 10.162 13.383 ( 2.452 3.994 -18.546) 19.129 14.533 ( 9.114 8.353 24.724) 27.643 14.955 ( 9.667 -9.859 21.895) 25.885 15.778 ( -1.030 -0.899 10.209) 10.300 16.297 ( -7.889 -2.513 -7.085) 10.897 16.628 ( -7.085 -0.326 7.039) 9.993 17.037 ( -9.933 -9.654 -2.253) 14.033 17.857 ( 8.725 7.369 3.268) 11.879 19.024 ( -31.089 0.536 1.393) 31.125 19.385 ( 7.068 -5.698 1.090) 9.144 19.965 ( 3.055 -0.242 -19.939) 20.173 20.427 ( 21.188 18.311 11.137) 30.137 20.626 ( 12.868 5.909 -16.064) 21.414 21.064 ( 0.170 -2.445 -13.649) 13.867 22.058 ( 28.485 -25.155 13.534) 40.341 23.006 ( -7.685 10.270 -8.442) 15.355 23.290 ( 5.592 -4.015 -2.147) 7.211 23.607 ( -18.976 20.183 -2.767) 27.840 23.991 ( -0.415 -1.215 6.470) 6.597 24.427 ( -5.720 -9.789 3.559) 11.883 24.735 ( -4.360 -2.438 -2.516) 5.593 ======================= Grid point 26 (24/96) ======================= q-point: ( 0.04 -0.04 -0.24) 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.58e-05 8.58e-05 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.207 ( -21.705 -3.759 -0.000) 22.028 1.243 ( -28.869 5.421 -0.000) 29.374 1.619 ( -4.527 0.259 -0.000) 4.535 1.648 ( -1.320 0.227 -0.000) 1.339 1.785 ( -5.644 4.841 -0.000) 7.436 2.006 ( -4.766 -1.572 0.000) 5.019 2.279 ( -8.844 -13.301 0.000) 15.973 2.297 ( -0.468 -0.447 0.000) 0.647 2.382 ( -6.939 7.177 -0.000) 9.983 3.222 ( -8.113 2.170 -0.000) 8.398 3.254 ( 15.428 -4.064 0.000) 15.954 3.556 ( -30.211 -26.808 0.000) 40.391 3.963 ( -23.880 -2.184 -0.000) 23.980 4.273 ( 12.662 9.691 -0.000) 15.945 4.405 ( -4.882 15.120 -0.000) 15.889 4.484 ( 13.192 -2.033 0.000) 13.348 4.889 ( -8.944 -11.332 0.000) 14.437 5.085 ( 7.270 -3.749 0.000) 8.180 5.124 ( -4.615 -0.774 -0.000) 4.679 5.456 ( -13.047 -10.995 0.000) 17.062 5.478 ( 9.388 -7.257 0.000) 11.866 5.898 ( -13.631 14.420 -0.000) 19.842 6.153 ( -6.977 -26.188 0.000) 27.102 6.276 ( -6.684 -6.995 0.000) 9.675 6.748 ( 18.448 -6.369 0.000) 19.516 6.751 ( -4.973 3.548 -0.000) 6.109 7.177 ( -21.708 0.934 -0.000) 21.728 7.191 ( -5.312 2.646 -0.000) 5.935 7.373 ( -2.221 -2.347 0.000) 3.231 7.714 ( -4.269 -0.494 -0.000) 4.297 7.749 ( 2.905 0.521 0.000) 2.951 7.970 ( -0.673 17.423 -0.000) 17.436 7.978 ( -4.435 -4.633 0.000) 6.413 8.290 ( 8.812 -4.099 0.000) 9.719 8.583 ( -8.964 4.712 -0.000) 10.127 8.712 ( -9.766 1.218 -0.000) 9.842 8.999 ( -9.382 -5.146 0.000) 10.701 9.396 ( 7.267 -10.897 0.000) 13.098 9.402 ( 2.532 -3.186 0.000) 4.070 9.718 ( 12.976 5.401 -0.000) 14.056 10.247 ( 13.715 10.183 -0.000) 17.082 10.277 ( -16.315 -0.070 -0.000) 16.315 10.621 ( 10.151 -9.015 0.000) 13.576 10.969 ( -2.853 10.824 -0.000) 11.193 11.450 ( -2.328 26.394 -0.000) 26.496 11.464 ( 15.011 1.479 0.000) 15.084 11.741 ( -4.379 -4.115 0.000) 6.009 12.067 ( 3.631 10.993 -0.000) 11.577 12.305 ( -2.152 8.164 -0.000) 8.443 12.404 ( 2.213 -5.172 0.000) 5.626 13.038 ( -4.864 -11.465 0.000) 12.454 13.681 ( 0.455 2.172 -0.000) 2.220 14.348 ( 9.989 13.451 -0.000) 16.754 14.900 ( 7.350 0.366 0.000) 7.359 15.658 ( 0.585 -2.248 0.000) 2.323 16.343 ( 3.665 -13.296 0.000) 13.792 16.349 ( -10.998 -5.760 0.000) 12.415 16.879 ( -7.867 -9.170 0.000) 12.082 17.954 ( 5.260 6.564 -0.000) 8.412 18.394 ( -29.246 2.679 -0.000) 29.369 19.506 ( 6.032 -3.510 0.000) 6.978 20.330 ( 2.887 1.683 -0.000) 3.342 20.711 ( 29.877 13.463 -0.000) 32.770 20.997 ( 2.385 7.960 -0.000) 8.309 21.212 ( 2.912 -2.914 0.000) 4.120 22.434 ( 14.271 -6.277 0.000) 15.591 22.721 ( -6.543 2.275 -0.000) 6.928 23.345 ( -15.961 27.017 -0.000) 31.380 23.769 ( 19.113 -3.222 0.000) 19.382 23.770 ( -7.277 -6.086 0.000) 9.487 24.291 ( -4.741 -13.056 0.000) 13.890 24.685 ( -3.236 -5.230 0.000) 6.150 ======================= Grid point 27 (25/96) ======================= q-point: (-0.10 -0.04 -0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.58e-05 8.58e-05 Number of triplets: 245 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.833 ( -12.445 -15.561 -11.203) 22.859 1.066 ( -12.985 -6.150 -16.325) 21.747 1.584 ( -2.443 -10.883 -3.324) 11.638 1.634 ( -0.671 -3.549 -1.415) 3.880 1.803 ( 1.500 -0.657 -1.353) 2.124 2.048 ( -5.510 -9.085 -4.016) 11.359 2.215 ( -5.968 -3.262 -18.415) 19.631 2.254 ( 1.046 -3.123 2.004) 3.855 2.500 ( 3.225 -5.401 -9.407) 11.317 2.936 ( -16.843 -25.151 0.401) 30.273 3.180 ( -6.413 -3.803 -1.190) 7.550 3.374 ( -10.215 0.108 7.284) 12.547 3.733 ( 9.063 -4.149 -0.677) 9.991 3.971 ( -0.158 -2.110 6.189) 6.541 4.460 ( -16.082 -6.801 -2.411) 17.627 4.650 ( -9.597 2.662 4.081) 10.763 4.751 ( -8.122 -3.021 12.425) 15.148 4.959 ( 8.464 -16.211 1.598) 18.358 5.302 ( 4.058 -15.335 -0.105) 15.863 5.378 ( 14.676 2.068 -8.728) 17.200 5.604 ( -1.986 10.274 0.781) 10.493 5.768 ( -8.314 -30.111 -16.517) 35.335 6.224 ( 9.702 3.983 -8.860) 13.729 6.431 ( -1.929 -7.860 -10.768) 13.470 6.605 ( -8.904 5.825 -0.207) 10.642 6.769 ( -1.823 3.484 -2.222) 4.517 6.997 ( -1.424 -6.190 5.234) 8.230 7.248 ( 2.280 1.753 -5.893) 6.557 7.369 ( -3.330 3.843 -1.917) 5.434 7.606 ( -5.211 2.722 2.627) 6.439 7.645 ( -2.212 0.536 0.276) 2.293 7.739 ( -1.505 -1.972 5.474) 6.010 8.149 ( -3.567 11.813 -9.655) 15.668 8.260 ( -15.938 1.772 3.376) 16.388 8.394 ( 4.584 -4.612 3.887) 7.575 8.586 ( -8.693 -0.174 -3.738) 9.465 8.928 ( -5.486 1.148 -8.467) 10.153 9.288 ( -0.151 -3.057 12.521) 12.890 9.547 ( 6.593 -8.437 1.263) 10.782 9.813 ( -9.798 7.110 5.872) 13.455 9.986 ( 8.303 4.381 -0.067) 9.388 10.491 ( -2.836 13.774 4.062) 14.638 10.636 ( -4.233 0.693 6.579) 7.854 10.779 ( 1.751 5.574 6.512) 8.749 11.188 ( -7.749 1.514 10.900) 13.459 11.627 ( 7.723 5.564 9.090) 13.162 11.716 ( 5.725 7.289 1.623) 9.409 12.044 ( -7.767 1.868 6.734) 10.448 12.105 ( -5.051 5.247 -0.774) 7.324 12.401 ( 2.671 -0.922 5.213) 5.929 12.875 ( -3.192 -13.392 5.534) 14.838 13.473 ( 1.685 3.752 16.646) 17.147 14.896 ( 6.266 10.837 -29.703) 32.233 15.342 ( 8.599 19.981 -24.080) 32.451 15.806 ( 3.903 -5.138 -9.767) 11.706 16.125 ( -6.122 -13.292 3.232) 14.987 16.646 ( 12.962 -10.322 -4.847) 17.264 16.783 ( 3.399 -14.021 -2.914) 14.719 17.916 ( -15.819 6.371 0.504) 17.061 18.124 ( 1.389 4.518 -6.653) 8.161 19.596 ( 3.074 -3.251 0.284) 4.483 19.967 ( -2.801 1.480 35.963) 36.103 20.815 ( 0.886 11.630 15.534) 19.425 21.146 ( 1.160 2.446 13.058) 13.335 21.530 ( 28.399 15.190 -17.641) 36.721 22.158 ( -26.010 2.528 14.841) 30.053 22.647 ( -22.424 15.645 2.455) 27.452 22.969 ( 1.919 -12.400 12.625) 17.800 23.605 ( 8.757 -12.785 -1.187) 15.542 24.184 ( -5.677 -13.267 -1.448) 14.503 24.276 ( 7.084 -0.726 -15.420) 16.985 24.633 ( -1.120 -5.648 0.003) 5.758 ======================= Grid point 28 (26/96) ======================= q-point: ( 0.34 -0.06 0.06) 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.58e-05 8.58e-05 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.323 ( 0.000 7.395 7.737) 10.703 1.415 ( 0.000 12.994 8.709) 15.643 1.591 ( -0.000 -1.202 -0.333) 1.248 1.794 ( -0.000 2.722 -5.401) 6.048 2.049 ( 0.000 14.878 -0.040) 14.878 2.236 ( 0.000 1.814 3.421) 3.872 2.302 ( 0.000 6.566 -2.729) 7.110 2.524 ( 0.000 3.182 10.130) 10.618 2.890 ( -0.000 -3.368 -7.119) 7.876 2.912 ( 0.000 7.284 -10.842) 13.061 3.540 ( 0.000 21.818 16.969) 27.640 3.605 ( 0.000 7.972 2.270) 8.288 4.105 ( 0.000 18.882 17.942) 26.047 4.310 ( 0.000 11.403 -10.547) 15.533 4.335 ( 0.000 8.076 7.206) 10.823 4.388 ( 0.000 -3.167 5.846) 6.649 4.471 ( 0.000 9.311 -15.773) 18.316 5.196 ( 0.000 -1.241 2.534) 2.821 5.421 ( 0.000 2.470 -2.410) 3.451 5.584 ( 0.000 10.449 -2.613) 10.771 5.929 ( 0.000 -5.996 16.336) 17.402 6.260 ( -0.000 -1.801 1.887) 2.609 6.324 ( 0.000 9.983 6.553) 11.942 6.517 ( 0.000 -0.683 7.271) 7.303 6.781 ( 0.000 3.393 -1.042) 3.549 6.921 ( 0.000 9.962 10.343) 14.360 7.098 ( -0.000 -10.869 5.888) 12.361 7.192 ( 0.000 13.154 -10.986) 17.138 7.431 ( 0.000 14.896 12.390) 19.375 7.514 ( -0.000 0.744 -11.188) 11.213 7.533 ( -0.000 -5.040 -2.954) 5.842 7.799 ( 0.000 -8.277 15.252) 17.353 8.026 ( -0.000 -0.837 -3.999) 4.085 8.088 ( 0.000 -1.152 10.045) 10.111 8.509 ( 0.000 8.495 2.400) 8.827 8.692 ( 0.000 9.024 5.731) 10.691 9.054 ( -0.000 2.299 -9.357) 9.635 9.057 ( 0.000 -4.078 8.971) 9.854 9.480 ( -0.000 -3.857 -8.836) 9.641 9.704 ( 0.000 -1.360 6.631) 6.769 9.906 ( -0.000 -10.688 -4.872) 11.746 10.073 ( -0.000 -0.443 -7.993) 8.006 10.392 ( -0.000 4.754 -18.519) 19.119 10.447 ( -0.000 -18.566 -3.107) 18.824 11.084 ( -0.000 -3.568 -7.473) 8.281 11.354 ( -0.000 -11.596 -13.794) 18.020 11.405 ( -0.000 1.440 -5.397) 5.586 11.823 ( -0.000 -5.067 -9.757) 10.994 12.067 ( 0.000 -4.937 10.179) 11.313 12.441 ( 0.000 5.411 2.177) 5.833 12.899 ( -0.000 4.678 -8.740) 9.913 13.059 ( -0.000 -3.851 -17.479) 17.899 15.330 ( -0.000 -17.637 28.790) 33.763 15.459 ( -0.000 -15.738 23.631) 28.393 16.229 ( 0.000 2.513 21.522) 21.668 16.427 ( 0.000 21.164 -0.237) 21.166 16.892 ( 0.000 16.236 -5.092) 17.016 17.245 ( 0.000 5.004 7.343) 8.886 17.493 ( -0.000 -9.837 -5.942) 11.492 18.234 ( 0.000 -6.080 15.376) 16.535 18.927 ( -0.000 -3.500 -47.164) 47.294 19.651 ( -0.000 2.967 -6.295) 6.959 20.315 ( -0.000 -11.954 -11.294) 16.446 20.502 ( -0.000 -2.094 -30.681) 30.753 21.756 ( -0.000 -31.224 16.035) 35.101 21.972 ( 0.000 11.998 -1.752) 12.125 22.182 ( -0.000 -17.355 15.024) 22.955 22.959 ( 0.000 22.972 -21.995) 31.804 24.178 ( 0.000 12.686 8.428) 15.230 24.457 ( 0.000 11.478 5.773) 12.848 24.593 ( 0.000 -3.705 10.831) 11.447 24.716 ( 0.000 6.839 -4.084) 7.966 ======================= Grid point 29 (27/96) ======================= q-point: ( 0.20 -0.06 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.58e-05 8.58e-05 Number of triplets: 246 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.159 ( 3.300 12.509 7.298) 14.853 1.215 ( 6.880 10.740 13.052) 18.249 1.610 ( 1.335 -0.660 -0.116) 1.494 1.800 ( -5.553 1.838 -2.058) 6.201 1.948 ( -5.572 14.214 1.436) 15.334 2.206 ( 1.227 5.302 6.099) 8.174 2.317 ( 2.751 7.162 6.559) 10.094 2.349 ( 3.150 7.622 5.617) 9.978 2.698 ( -18.629 16.630 1.698) 25.030 3.167 ( -2.949 3.714 0.316) 4.753 3.335 ( -0.310 4.301 -15.988) 16.560 3.741 ( 2.757 16.654 -5.601) 17.785 3.891 ( 10.965 20.960 6.893) 24.639 4.100 ( -5.187 14.443 -1.412) 15.411 4.452 ( 8.702 -2.397 7.650) 11.832 4.791 ( -1.379 7.613 -8.531) 11.517 4.868 ( 18.041 13.514 -11.378) 25.250 5.235 ( -0.060 4.789 1.062) 4.906 5.290 ( -0.538 0.624 6.161) 6.216 5.447 ( -18.066 -2.510 -0.295) 18.242 5.515 ( -10.411 12.144 -1.009) 16.028 6.126 ( -3.559 -4.268 4.453) 7.122 6.332 ( 12.491 22.496 16.611) 30.627 6.432 ( -9.078 -9.052 11.931) 17.512 6.582 ( 17.642 1.526 3.092) 17.976 6.770 ( -2.736 7.970 6.890) 10.885 7.035 ( 5.410 -0.999 -2.626) 6.096 7.271 ( 4.610 -1.312 2.126) 5.243 7.394 ( -5.181 10.451 -2.622) 11.956 7.610 ( 1.105 0.051 -8.291) 8.364 7.630 ( 6.537 2.892 2.792) 7.674 7.780 ( -1.486 2.287 -7.644) 8.116 7.983 ( 6.234 -5.095 5.952) 10.012 8.272 ( 12.809 1.225 -5.354) 13.937 8.514 ( -3.428 8.011 -3.918) 9.554 8.631 ( 7.926 3.028 10.868) 13.787 8.892 ( 5.662 -1.408 8.166) 10.036 9.286 ( 3.164 -4.860 -7.742) 9.673 9.574 ( 0.956 -1.306 5.842) 6.062 9.754 ( 5.776 -0.924 -13.358) 14.582 9.894 ( -6.772 -4.958 -0.707) 8.422 10.274 ( 6.311 -6.816 1.534) 9.415 10.461 ( 4.434 -17.747 -0.249) 18.294 10.776 ( -0.121 2.996 -15.334) 15.624 11.064 ( -10.057 -11.507 -2.855) 15.547 11.545 ( -3.161 -2.893 -10.500) 11.340 11.594 ( -3.003 -4.886 -7.582) 9.507 11.929 ( 4.667 -8.522 1.221) 9.793 12.028 ( 5.009 -3.437 2.319) 6.502 12.422 ( -1.613 1.253 -3.253) 3.841 13.124 ( 0.598 10.541 -11.780) 15.819 13.378 ( -1.982 -5.768 -16.429) 17.525 14.641 ( -7.415 -13.804 28.125) 32.196 14.987 ( 5.567 -17.069 25.428) 31.127 15.862 ( -2.606 1.380 10.940) 11.331 16.440 ( 1.633 17.086 0.119) 17.164 16.839 ( -13.714 10.718 -0.729) 17.421 17.047 ( -0.612 12.767 2.890) 13.104 17.762 ( 12.502 -8.840 -1.288) 15.366 18.032 ( 5.042 -3.782 6.574) 9.108 19.645 ( -3.412 0.421 -0.983) 3.575 19.933 ( 4.292 -1.490 -34.291) 34.591 20.558 ( -0.121 -14.503 -14.297) 20.366 21.056 ( -12.216 -11.786 -6.553) 18.195 21.199 ( -9.948 -11.844 1.078) 15.505 21.927 ( 15.521 -22.385 13.891) 30.577 22.360 ( 19.207 -8.659 -4.164) 21.476 23.329 ( -7.376 20.270 -15.855) 26.770 23.897 ( -10.368 16.315 4.077) 19.756 24.266 ( -6.756 -0.013 11.681) 13.494 24.440 ( 4.358 11.172 2.476) 12.245 24.785 ( -0.306 9.282 -2.848) 9.714 ======================= Grid point 30 (28/96) ======================= q-point: ( 0.06 -0.06 0.34) 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.58e-05 8.58e-05 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.317 ( 15.332 7.417 -0.000) 17.032 1.341 ( 20.183 6.749 -0.000) 21.281 1.639 ( -0.135 0.647 0.000) 0.661 1.639 ( -9.256 8.263 -0.000) 12.408 1.881 ( 0.958 13.274 -0.000) 13.309 2.051 ( 4.621 3.204 -0.000) 5.623 2.307 ( 0.739 0.747 -0.000) 1.050 2.354 ( -3.281 3.110 -0.000) 4.520 2.514 ( 5.907 10.500 -0.000) 12.048 3.273 ( 4.655 5.317 -0.000) 7.067 3.346 ( -12.351 4.872 -0.000) 13.277 3.655 ( 0.437 8.711 -0.000) 8.721 4.035 ( -15.577 -14.923 0.000) 21.572 4.181 ( 3.022 -4.200 0.000) 5.174 4.559 ( -10.384 6.137 -0.000) 12.062 4.614 ( 26.599 32.713 -0.000) 42.162 5.026 ( -12.607 3.305 -0.000) 13.033 5.180 ( 1.055 4.034 -0.000) 4.170 5.259 ( 4.138 17.215 -0.000) 17.705 5.567 ( 13.042 -6.443 0.000) 14.546 5.673 ( 5.013 -1.000 0.000) 5.112 5.682 ( -9.365 14.503 -0.000) 17.264 6.194 ( 0.937 -14.358 0.000) 14.388 6.499 ( 14.360 15.671 -0.000) 21.255 6.729 ( -1.350 -6.535 0.000) 6.673 6.946 ( 12.475 17.089 -0.000) 21.157 7.137 ( 2.600 -2.888 0.000) 3.886 7.307 ( 3.137 12.869 -0.000) 13.246 7.379 ( 8.208 -3.932 0.000) 9.101 7.677 ( 1.372 -6.007 0.000) 6.162 7.705 ( -8.047 -4.490 0.000) 9.215 7.830 ( 5.286 6.903 -0.000) 8.695 8.062 ( 2.585 3.717 -0.000) 4.527 8.396 ( -9.995 6.696 -0.000) 12.031 8.473 ( 5.011 -7.702 0.000) 9.189 8.711 ( 11.038 1.545 0.000) 11.146 9.030 ( 13.865 -0.856 0.000) 13.892 9.449 ( 1.104 -7.858 0.000) 7.935 9.455 ( -3.777 1.475 -0.000) 4.054 9.687 ( -12.321 5.848 -0.000) 13.638 10.072 ( -3.739 -8.264 0.000) 9.071 10.293 ( 16.671 1.934 0.000) 16.782 10.596 ( -2.347 -17.228 0.000) 17.387 10.877 ( -7.560 5.272 -0.000) 9.217 10.983 ( 4.043 -19.051 0.000) 19.475 11.425 ( -14.130 -2.527 -0.000) 14.354 11.818 ( 5.331 2.435 -0.000) 5.861 11.853 ( -3.258 -10.921 0.000) 11.397 12.151 ( 7.963 -5.841 0.000) 9.875 12.465 ( -0.141 1.183 -0.000) 1.192 13.252 ( -1.913 8.870 -0.000) 9.074 13.640 ( 1.503 -1.353 0.000) 2.022 14.091 ( -7.794 -12.030 0.000) 14.334 14.806 ( 4.342 -9.217 0.000) 10.188 15.701 ( -2.350 1.814 -0.000) 2.969 16.500 ( 4.213 9.288 -0.000) 10.199 16.564 ( -11.008 9.718 -0.000) 14.684 17.099 ( 6.630 12.230 -0.000) 13.912 17.791 ( -5.099 -9.622 0.000) 10.890 18.362 ( 30.572 0.429 0.000) 30.575 19.552 ( -5.004 -0.126 -0.000) 5.005 20.287 ( -2.674 -2.594 0.000) 3.726 20.454 ( -29.578 -11.319 0.000) 31.670 20.820 ( 3.639 -9.897 0.000) 10.545 21.264 ( -3.752 2.484 -0.000) 4.500 22.106 ( 19.860 -28.724 0.000) 34.922 22.835 ( 20.947 -17.432 0.000) 27.252 23.095 ( -23.416 21.003 -0.000) 31.455 23.845 ( -16.147 4.702 -0.000) 16.818 23.921 ( 2.186 9.077 -0.000) 9.336 24.490 ( 2.687 7.957 -0.000) 8.398 24.813 ( 0.077 7.273 -0.000) 7.273 ======================= Grid point 31 (29/96) ======================= q-point: (-0.09 -0.06 0.49) 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.58e-05 8.58e-05 Number of triplets: 246 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.411 ( 2.744 -1.289 4.492) 5.420 1.625 ( 7.342 1.720 -1.951) 7.789 1.662 ( 0.629 -0.295 -0.311) 0.761 1.710 ( -0.978 0.821 -5.137) 5.293 1.889 ( 8.721 4.629 9.824) 13.927 2.147 ( -5.616 -4.408 5.913) 9.270 2.229 ( 0.056 0.546 -3.091) 3.139 2.644 ( 12.846 -1.115 -22.710) 26.115 2.851 ( 14.745 12.329 -0.896) 19.241 3.096 ( -0.691 -5.606 -6.240) 8.416 3.438 ( 3.863 3.599 -2.286) 5.753 3.666 ( -9.241 0.670 -12.527) 15.581 3.964 ( -5.677 -8.775 -12.435) 16.244 4.121 ( 2.336 -0.970 12.058) 12.320 4.346 ( 1.736 -4.906 0.568) 5.235 4.660 ( -14.637 -2.885 6.236) 16.169 5.125 ( 2.924 12.447 -0.400) 12.792 5.165 ( 5.666 -2.564 1.936) 6.514 5.357 ( 9.345 22.013 7.676) 25.116 5.539 ( 12.039 6.231 -3.995) 14.132 5.755 ( 1.648 1.986 0.917) 2.739 5.932 ( -0.338 -3.637 -12.123) 12.662 6.142 ( -4.280 -14.999 6.574) 16.927 6.485 ( -4.741 3.326 9.295) 10.951 6.901 ( 11.218 13.685 -2.591) 17.884 7.104 ( 1.702 1.098 -1.418) 2.473 7.202 ( 12.922 3.478 3.162) 13.750 7.408 ( -6.912 -8.617 4.205) 11.820 7.463 ( -1.459 2.539 -1.695) 3.383 7.562 ( -2.640 -1.828 -5.231) 6.138 7.676 ( -0.697 -8.445 -1.820) 8.667 7.934 ( 11.261 9.831 2.546) 15.163 8.088 ( -3.264 3.970 0.450) 5.159 8.294 ( 1.965 4.476 -9.045) 10.282 8.633 ( 2.011 -5.238 -1.954) 5.941 8.876 ( 2.685 0.370 -2.937) 3.996 9.248 ( 2.734 -2.878 6.020) 7.211 9.332 ( 6.128 2.156 -0.278) 6.502 9.482 ( -7.050 7.152 -4.511) 11.009 9.574 ( -2.651 0.284 -8.018) 8.449 9.966 ( -0.683 4.965 2.849) 5.765 10.356 ( -11.588 -13.605 6.078) 18.877 10.482 ( 2.991 1.506 17.762) 18.075 10.670 ( 6.139 -1.381 7.028) 9.433 11.073 ( 0.751 -8.808 -0.503) 8.855 11.152 ( -11.887 -4.885 -1.799) 12.977 11.551 ( -0.640 -3.031 13.666) 14.013 12.065 ( -1.315 0.936 -9.000) 9.144 12.204 ( 3.230 -3.267 4.549) 6.465 12.388 ( -0.078 1.714 7.166) 7.368 13.130 ( 0.487 3.970 8.785) 9.653 13.302 ( -1.368 -3.676 20.440) 20.813 14.410 ( -3.646 -4.333 -27.773) 28.345 15.071 ( -2.346 0.995 -21.499) 21.650 15.785 ( -0.152 0.356 -10.784) 10.791 16.374 ( -0.369 4.652 6.967) 8.385 16.638 ( 2.614 1.241 -4.633) 5.462 17.263 ( 8.696 12.688 -0.677) 15.397 17.671 ( -8.244 -11.344 -1.019) 14.061 19.058 ( 33.910 4.462 -4.009) 34.437 19.484 ( -3.673 2.992 -1.007) 4.843 19.914 ( -21.179 -6.742 -2.211) 22.336 20.151 ( -7.627 -6.693 4.297) 11.019 20.502 ( -4.572 -6.280 28.320) 29.366 21.103 ( -1.015 1.096 10.264) 10.372 22.476 ( -5.883 5.514 -5.575) 9.803 22.820 ( 0.659 -0.109 -7.133) 7.164 23.160 ( 13.008 -14.425 3.826) 19.797 23.471 ( -7.749 6.334 3.403) 10.572 24.017 ( -1.463 1.427 -5.110) 5.504 24.558 ( 2.167 4.042 -1.513) 4.829 24.797 ( 1.352 3.224 2.537) 4.320 ======================= Grid point 32 (30/96) ======================= q-point: (-0.23 -0.06 -0.37) 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.58e-05 8.58e-05 Number of triplets: 246 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.351 ( 1.111 -4.468 3.605) 5.848 1.631 ( 0.204 -2.291 5.332) 5.807 1.657 ( -1.507 0.438 0.199) 1.582 1.705 ( 1.588 -4.696 8.291) 9.660 1.905 ( 12.945 -4.509 1.319) 13.771 2.076 ( 0.016 -2.217 -1.257) 2.549 2.227 ( 0.243 1.324 2.611) 2.937 2.773 ( -0.136 -0.552 17.464) 17.473 3.188 ( -20.113 -2.322 -16.389) 26.048 3.456 ( -0.966 -4.483 -26.255) 26.652 3.525 ( 7.714 1.605 -6.429) 10.169 3.796 ( -11.669 1.432 1.185) 11.816 4.121 ( 3.971 -3.119 -14.720) 15.562 4.213 ( -2.912 6.339 2.329) 7.354 4.378 ( 9.600 -1.578 -20.610) 22.791 4.588 ( 18.028 -0.187 0.249) 18.030 5.080 ( -7.304 -0.687 -2.056) 7.619 5.167 ( 2.053 9.579 11.946) 15.449 5.352 ( -6.170 -1.558 9.835) 11.714 5.663 ( 8.010 -6.348 1.537) 10.335 5.762 ( -6.403 -14.106 12.680) 20.019 5.916 ( 17.724 -9.031 -7.907) 21.406 6.164 ( -4.781 4.940 -5.699) 8.930 6.418 ( 8.539 -5.510 2.121) 10.382 6.818 ( -0.124 -0.499 13.156) 13.166 7.020 ( 0.725 1.006 2.755) 3.021 7.200 ( -4.856 -2.931 5.014) 7.570 7.371 ( -8.026 -0.801 -4.621) 9.296 7.472 ( -3.137 10.055 1.074) 10.587 7.668 ( 5.252 -0.750 -9.998) 11.318 7.720 ( 4.137 -4.262 0.667) 5.977 8.005 ( -4.910 -3.641 -2.543) 6.621 8.169 ( 8.659 -1.562 -1.448) 8.917 8.454 ( -2.983 -2.934 12.918) 13.578 8.733 ( 2.274 0.410 -17.968) 18.115 8.998 ( -1.482 5.023 -9.073) 10.476 9.122 ( -4.738 0.889 1.031) 4.929 9.400 ( -3.870 -1.026 -4.114) 5.741 9.570 ( 2.623 3.497 -1.251) 4.547 9.736 ( 2.751 7.245 -4.730) 9.079 9.844 ( -7.491 8.235 8.102) 13.769 9.921 ( -3.521 0.109 12.463) 12.952 10.164 ( 4.846 -6.784 13.837) 16.154 10.477 ( -5.156 -0.943 12.937) 13.959 11.005 ( -4.218 5.978 0.965) 7.380 11.112 ( -3.959 -3.216 -3.220) 6.032 11.382 ( 5.105 -5.764 4.994) 9.177 12.015 ( -4.556 1.875 11.261) 12.291 12.152 ( -5.572 5.238 -3.824) 8.551 12.343 ( 4.664 -4.223 -3.113) 7.020 12.873 ( -0.478 0.726 16.499) 16.522 12.969 ( 1.269 -1.730 11.716) 11.911 14.909 ( -1.294 3.727 -25.718) 26.019 15.518 ( -6.099 7.935 -28.070) 29.801 16.115 ( 1.573 -0.017 -19.068) 19.133 16.265 ( 9.809 -3.724 11.318) 15.434 16.745 ( 2.443 -6.268 0.163) 6.729 17.330 ( 4.231 6.643 11.456) 13.902 17.632 ( -5.147 -4.046 -13.199) 14.733 19.272 ( -19.521 -5.527 -2.684) 20.465 19.479 ( -0.191 4.673 1.889) 5.044 19.632 ( -2.307 0.556 40.368) 40.438 19.952 ( 3.348 7.196 0.627) 7.961 20.189 ( 7.621 -8.972 -22.851) 25.705 20.779 ( -2.435 6.179 18.172) 19.348 22.246 ( -4.308 3.344 11.330) 12.574 22.724 ( -17.458 18.990 -2.081) 25.879 23.338 ( 0.095 -8.453 -4.345) 9.505 23.689 ( 21.137 -16.275 -5.679) 27.275 24.112 ( 4.182 0.719 -1.470) 4.490 24.597 ( 1.244 -0.814 0.478) 1.562 24.780 ( 1.875 0.609 2.198) 2.953 ======================= Grid point 33 (31/96) ======================= q-point: (-0.37 -0.06 -0.23) 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.58e-05 8.58e-05 Number of triplets: 246 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.398 ( 6.659 -1.307 -0.732) 6.826 1.554 ( 2.679 -4.188 5.205) 7.198 1.604 ( -0.111 -0.205 2.874) 2.883 1.619 ( -2.718 -2.190 0.493) 3.525 2.015 ( 2.039 6.268 4.902) 8.214 2.106 ( 1.834 -7.687 -0.233) 7.907 2.264 ( 10.374 0.543 2.487) 10.682 2.392 ( 3.761 -1.560 12.013) 12.684 2.982 ( -23.104 4.267 -9.478) 25.334 3.219 ( -20.328 -4.605 4.666) 21.358 3.897 ( -6.639 11.446 -18.426) 22.685 4.040 ( 2.351 3.036 -16.134) 16.584 4.151 ( -0.276 4.299 -5.201) 6.754 4.476 ( 1.428 -3.618 9.356) 10.132 4.565 ( -2.717 -3.071 18.630) 19.076 4.669 ( -5.766 -8.690 12.462) 16.250 4.942 ( 2.945 -3.440 -7.757) 8.983 5.023 ( 7.188 -0.276 0.409) 7.205 5.418 ( 3.847 1.857 -5.292) 6.801 5.571 ( 11.304 -4.840 -8.199) 14.779 5.811 ( -6.930 -2.955 4.466) 8.758 5.983 ( 4.810 -2.585 5.763) 7.939 6.337 ( 4.934 -1.884 0.948) 5.366 6.494 ( 9.390 -7.951 4.580) 13.129 6.752 ( 3.934 2.670 -4.837) 6.783 6.974 ( 5.230 0.142 7.154) 8.863 7.130 ( -1.260 0.037 -4.213) 4.397 7.282 ( 2.410 -4.286 4.729) 6.822 7.438 ( -7.381 1.833 -2.281) 7.940 7.570 ( -8.240 -5.080 3.432) 10.270 7.976 ( 2.155 2.756 -5.614) 6.614 8.023 ( -6.122 -4.420 -3.284) 8.235 8.098 ( -6.308 -4.706 2.462) 8.246 8.218 ( 4.410 -1.805 8.565) 9.801 8.933 ( -5.453 5.927 -1.356) 8.167 9.073 ( -7.667 -6.729 -3.681) 10.845 9.138 ( 3.869 -1.146 -6.666) 7.792 9.278 ( -2.213 6.070 15.665) 16.946 9.426 ( -11.643 1.997 -11.774) 16.678 9.644 ( -7.125 -0.159 4.204) 8.274 9.783 ( 1.543 1.404 -0.235) 2.099 9.909 ( 4.979 2.679 2.441) 6.158 10.030 ( 2.947 2.046 2.238) 4.228 10.202 ( 0.495 1.998 5.485) 5.859 10.948 ( -7.106 6.235 -8.401) 12.647 11.080 ( -3.723 1.034 -0.056) 3.865 11.441 ( 1.676 1.924 1.235) 2.835 11.644 ( -2.942 -6.895 9.446) 12.059 12.267 ( -1.646 2.266 -13.644) 13.928 12.540 ( 3.509 0.513 -6.761) 7.635 12.568 ( 0.798 -0.175 13.701) 13.725 12.755 ( 0.927 -0.897 10.836) 10.912 15.407 ( 1.361 12.320 -22.200) 25.426 15.813 ( -2.303 1.095 -6.608) 7.083 16.350 ( 12.133 2.289 0.061) 12.347 16.544 ( 5.441 -4.152 -7.047) 9.824 16.760 ( 3.255 -10.678 -4.036) 11.871 17.057 ( 3.329 1.145 20.121) 20.427 17.902 ( -8.834 5.241 -22.984) 25.175 18.586 ( -17.280 -7.012 28.268) 33.865 19.161 ( -15.426 -9.399 -10.254) 20.771 19.263 ( -1.712 8.253 17.183) 19.139 20.063 ( -2.152 -1.125 -9.533) 9.837 20.202 ( -8.352 5.813 13.216) 16.679 21.050 ( 16.855 16.944 -22.590) 32.887 21.969 ( 11.965 -19.723 20.578) 30.913 22.541 ( -18.872 27.841 -14.300) 36.548 23.229 ( -8.977 -18.535 6.654) 21.643 24.145 ( 14.553 5.476 2.724) 15.786 24.260 ( 13.867 -9.791 -1.052) 17.008 24.633 ( -0.198 1.808 -2.696) 3.252 24.759 ( 1.971 -1.934 3.621) 4.553 ======================= Grid point 34 (32/96) ======================= q-point: ( 0.49 -0.06 -0.09) 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.58e-05 8.58e-05 Number of triplets: 246 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.438 ( 1.043 7.933 5.414) 9.661 1.497 ( 2.011 9.716 2.053) 10.132 1.588 ( -0.970 -2.675 -1.329) 3.140 1.656 ( 5.513 -2.792 -0.657) 6.214 1.995 ( 5.020 8.628 2.591) 10.313 2.193 ( 3.497 -3.940 -1.894) 5.599 2.328 ( 2.134 8.016 1.955) 8.522 2.500 ( 5.404 -1.194 -6.180) 8.296 2.781 ( -4.279 4.836 1.628) 6.659 2.894 ( -6.014 -5.636 0.379) 8.251 3.836 ( -5.292 3.995 18.858) 19.989 3.972 ( -4.237 6.469 13.992) 15.987 4.122 ( -1.633 7.543 1.740) 7.911 4.234 ( -4.802 7.985 -5.573) 10.857 4.314 ( -12.120 2.909 -9.396) 15.609 4.492 ( -3.133 -9.279 -3.477) 10.392 4.955 ( -6.053 -1.238 24.451) 25.219 5.227 ( 2.292 7.103 -7.090) 10.294 5.364 ( 3.812 -1.013 8.290) 9.180 5.492 ( 1.030 4.802 -1.362) 5.097 6.004 ( 15.605 -3.461 11.508) 19.696 6.146 ( 9.641 -3.928 -5.517) 11.782 6.447 ( 3.709 7.410 -7.651) 11.278 6.516 ( -2.517 -5.458 0.988) 6.091 6.841 ( 2.917 2.448 10.872) 11.520 7.049 ( 1.092 4.496 -6.620) 8.076 7.168 ( -7.745 -0.373 3.952) 8.703 7.195 ( -0.264 4.331 -1.580) 4.617 7.310 ( -3.083 -0.080 -1.211) 3.313 7.418 ( 4.980 -8.431 1.547) 9.914 7.723 ( -7.536 12.461 5.942) 15.728 8.006 ( -0.654 -0.538 10.388) 10.423 8.051 ( -6.308 -9.332 -3.224) 11.717 8.236 ( 1.939 -3.914 -2.387) 4.978 8.716 ( -3.748 9.671 10.690) 14.894 8.863 ( -7.642 5.802 5.031) 10.834 9.043 ( -4.937 7.099 1.867) 8.846 9.243 ( -10.331 -2.981 0.122) 10.753 9.412 ( 0.123 -8.767 2.439) 9.101 9.616 ( 0.992 -3.857 -13.968) 14.525 9.816 ( 1.923 1.425 -1.500) 2.825 9.937 ( 1.022 -2.085 -4.345) 4.926 10.158 ( -1.431 2.134 -7.318) 7.756 10.297 ( 4.007 -9.469 -6.506) 12.167 10.922 ( -1.328 -0.307 -0.694) 1.530 11.130 ( -5.645 -6.050 -14.753) 16.915 11.360 ( 0.462 8.387 1.914) 8.615 11.661 ( -0.924 -9.790 -7.008) 12.075 12.316 ( 0.513 -2.923 13.206) 13.535 12.482 ( 0.303 5.073 -0.005) 5.082 12.692 ( 2.252 -0.703 -11.592) 11.829 12.747 ( 0.873 1.518 -7.169) 7.379 15.671 ( 3.954 -1.013 8.067) 9.040 15.811 ( -1.255 -8.406 3.119) 9.054 16.438 ( 8.426 8.293 10.724) 15.962 16.645 ( 4.536 7.840 14.385) 16.999 16.702 ( 6.223 -0.572 4.240) 7.552 17.115 ( 7.871 1.799 -8.411) 11.659 17.786 ( -19.777 -6.714 11.215) 23.706 18.197 ( -12.295 -0.025 -28.991) 31.490 18.729 ( -6.928 2.919 19.915) 21.287 19.357 ( -2.817 -6.197 -21.822) 22.859 20.013 ( 2.320 1.290 -3.636) 4.502 20.231 ( -8.115 -8.434 -14.308) 18.485 21.714 ( 7.024 24.874 -16.325) 30.570 21.875 ( 15.531 -25.048 16.051) 33.559 22.581 ( -8.386 23.584 -15.583) 29.485 22.765 ( -13.651 -25.798 14.142) 32.433 24.236 ( 11.766 11.884 9.946) 19.457 24.542 ( 5.558 -5.135 -3.230) 8.227 24.611 ( -0.645 8.715 3.285) 9.336 24.735 ( 1.756 -3.159 3.231) 4.848 ======================= Grid point 35 (33/96) ======================= q-point: (-0.07 -0.07 0.07) 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.58e-05 8.58e-05 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.351 ( -0.000 -0.000 -13.346) 13.346 0.614 ( -0.000 -0.000 -26.857) 26.857 1.271 ( -0.000 -0.000 -45.512) 45.512 1.613 ( -0.000 -0.000 -0.700) 0.700 1.649 ( -0.000 -0.000 -0.888) 0.888 1.990 ( 0.000 0.000 1.947) 1.947 2.059 ( -0.000 -0.000 -6.927) 6.927 2.143 ( -0.000 -0.000 -24.923) 24.923 2.332 ( -0.000 -0.000 -4.785) 4.785 2.550 ( -0.000 -0.000 -0.704) 0.704 3.000 ( 0.000 0.000 6.594) 6.594 3.357 ( 0.000 0.000 0.851) 0.851 3.582 ( 0.000 0.000 10.931) 10.931 4.087 ( -0.000 -0.000 -8.490) 8.490 4.256 ( -0.000 -0.000 -4.016) 4.016 4.346 ( -0.000 -0.000 -15.076) 15.076 4.590 ( 0.000 0.000 3.716) 3.716 4.751 ( 0.000 0.000 11.681) 11.681 4.934 ( -0.000 -0.000 -2.328) 2.328 5.597 ( -0.000 -0.000 -11.403) 11.403 5.622 ( -0.000 -0.000 -1.983) 1.983 5.895 ( -0.000 -0.000 -8.584) 8.584 6.105 ( -0.000 -0.000 -17.431) 17.431 6.410 ( -0.000 -0.000 -12.526) 12.526 6.665 ( -0.000 -0.000 -0.555) 0.555 6.742 ( 0.000 0.000 0.408) 0.408 6.831 ( 0.000 0.000 10.203) 10.203 7.216 ( 0.000 0.000 5.301) 5.301 7.417 ( 0.000 0.000 0.692) 0.692 7.626 ( -0.000 -0.000 -2.049) 2.049 7.664 ( -0.000 -0.000 -25.147) 25.147 7.697 ( 0.000 0.000 6.530) 6.530 8.051 ( 0.000 0.000 2.295) 2.295 8.387 ( 0.000 0.000 6.938) 6.938 8.476 ( -0.000 -0.000 -0.336) 0.336 8.496 ( 0.000 0.000 0.259) 0.259 8.872 ( -0.000 -0.000 -9.032) 9.032 9.245 ( 0.000 0.000 13.313) 13.313 9.473 ( -0.000 -0.000 -1.174) 1.174 9.821 ( -0.000 -0.000 -4.945) 4.945 10.127 ( 0.000 0.000 0.266) 0.266 10.586 ( 0.000 0.000 11.688) 11.688 10.619 ( 0.000 0.000 18.031) 18.031 10.868 ( 0.000 0.000 3.659) 3.659 10.892 ( 0.000 0.000 0.187) 0.187 11.805 ( 0.000 0.000 5.036) 5.036 11.839 ( 0.000 0.000 7.882) 7.882 11.897 ( -0.000 -0.000 -0.168) 0.168 12.059 ( -0.000 -0.000 -1.640) 1.640 12.428 ( 0.000 0.000 6.149) 6.149 12.676 ( 0.000 0.000 1.018) 1.018 13.525 ( 0.000 0.000 16.870) 16.870 15.039 ( -0.000 -0.000 -31.242) 31.242 15.703 ( -0.000 -0.000 -9.826) 9.826 15.874 ( -0.000 -0.000 -8.745) 8.745 15.997 ( 0.000 0.000 5.923) 5.923 16.604 ( 0.000 0.000 2.607) 2.607 17.038 ( -0.000 -0.000 -3.508) 3.508 17.801 ( 0.000 0.000 2.394) 2.394 18.203 ( -0.000 -0.000 -7.836) 7.836 19.590 ( 0.000 0.000 0.917) 0.917 19.867 ( 0.000 0.000 38.031) 38.031 20.949 ( 0.000 0.000 12.832) 12.832 21.135 ( 0.000 0.000 12.479) 12.479 21.249 ( 0.000 0.000 8.752) 8.752 22.362 ( -0.000 -0.000 -26.832) 26.832 22.399 ( -0.000 -0.000 -8.283) 8.283 22.732 ( 0.000 0.000 18.438) 18.438 23.568 ( -0.000 -0.000 -7.642) 7.642 23.919 ( -0.000 -0.000 -3.476) 3.476 24.357 ( -0.000 -0.000 -14.610) 14.610 24.571 ( -0.000 -0.000 -2.484) 2.484 ======================= Grid point 36 (34/96) ======================= q-point: (-0.21 -0.07 0.21) 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.58e-05 8.58e-05 Number of triplets: 147 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.805 ( 24.566 0.000 3.737) 24.848 1.200 ( 12.496 0.000 -12.767) 17.865 1.594 ( -4.630 -0.000 -6.683) 8.130 1.640 ( 0.809 0.000 -0.635) 1.029 1.853 ( 5.120 0.000 -6.093) 7.959 1.931 ( -0.757 -0.000 3.249) 3.336 2.211 ( -2.941 -0.000 -1.295) 3.214 2.538 ( 0.955 0.000 3.967) 4.080 2.646 ( -0.962 -0.000 -11.984) 12.023 2.881 ( 2.612 -0.000 -15.690) 15.906 3.199 ( 35.560 0.000 3.872) 35.770 3.501 ( -1.084 -0.000 -4.167) 4.305 3.573 ( 7.890 0.000 -29.343) 30.386 4.099 ( -8.037 -0.000 -2.234) 8.342 4.443 ( -4.961 -0.000 0.870) 5.036 4.525 ( 12.220 0.000 1.111) 12.271 4.557 ( 8.724 0.000 -13.242) 15.857 5.049 ( 10.044 0.000 -12.878) 16.332 5.119 ( 13.700 0.000 -5.709) 14.842 5.607 ( -2.536 -0.000 6.001) 6.515 5.803 ( -21.840 -0.000 -18.096) 28.363 5.814 ( -1.051 -0.000 -17.372) 17.404 6.455 ( -12.671 -0.000 8.008) 14.989 6.576 ( 6.417 0.000 -6.675) 9.260 6.582 ( -11.487 -0.000 -11.523) 16.270 6.781 ( 1.244 0.000 -3.970) 4.160 6.970 ( 13.125 0.000 -4.877) 14.002 7.301 ( 11.541 0.000 1.549) 11.644 7.430 ( 7.819 0.000 -1.277) 7.922 7.517 ( -0.487 0.000 9.058) 9.071 7.680 ( 4.302 0.000 2.584) 5.019 7.800 ( -15.814 -0.000 -10.831) 19.167 8.208 ( -4.306 -0.000 6.477) 7.777 8.334 ( 13.260 0.000 -8.355) 15.672 8.526 ( 3.007 0.000 -7.077) 7.689 8.661 ( 9.834 0.000 -3.393) 10.403 8.916 ( 0.166 0.000 15.696) 15.697 9.131 ( 5.643 0.000 -9.947) 11.436 9.411 ( -9.907 -0.000 -2.408) 10.196 9.807 ( -0.013 0.000 5.081) 5.081 10.048 ( -7.545 -0.000 0.007) 7.545 10.186 ( -1.809 0.000 18.643) 18.731 10.611 ( 7.806 0.000 14.492) 16.460 10.691 ( -2.194 0.000 13.246) 13.427 10.863 ( 11.526 0.000 6.725) 13.344 11.514 ( -9.501 -0.000 10.029) 13.815 11.679 ( 9.489 0.000 18.248) 20.567 11.908 ( 0.758 0.000 1.000) 1.255 12.211 ( 2.612 0.000 -8.277) 8.679 12.293 ( -2.135 -0.000 2.029) 2.946 12.687 ( 3.987 0.000 2.812) 4.879 13.124 ( -0.582 0.000 20.912) 20.920 15.698 ( -1.023 -0.000 3.974) 4.104 15.753 ( -2.735 -0.000 -30.732) 30.854 15.913 ( -21.890 -0.000 -14.455) 26.232 16.131 ( 3.099 -0.000 -18.496) 18.754 16.549 ( 3.677 0.000 6.791) 7.723 16.852 ( -15.309 -0.000 -15.106) 21.507 17.963 ( 20.267 0.000 1.132) 20.298 18.387 ( -4.985 -0.000 -14.024) 14.883 19.105 ( 7.741 0.000 46.327) 46.969 19.545 ( -1.973 -0.000 0.847) 2.148 20.541 ( -1.762 0.000 24.215) 24.279 20.915 ( -8.430 -0.000 15.078) 17.275 21.388 ( 44.355 0.000 25.748) 51.287 22.243 ( -23.563 -0.000 -18.421) 29.909 22.313 ( 0.850 0.000 20.505) 20.523 23.206 ( 19.138 0.000 -15.116) 24.388 23.575 ( -18.072 -0.000 -10.447) 20.875 24.126 ( 7.208 0.000 -7.245) 10.220 24.588 ( -7.325 -0.000 -14.024) 15.821 24.628 ( 0.003 -0.000 -2.351) 2.351 ======================= Grid point 37 (35/96) ======================= q-point: (-0.36 -0.07 0.36) 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.58e-05 8.58e-05 Number of triplets: 147 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.163 ( 19.158 0.000 -0.008) 19.158 1.533 ( 6.193 0.000 -0.928) 6.262 1.661 ( 0.873 0.000 -0.155) 0.887 1.740 ( -5.093 -0.000 -16.921) 17.670 1.838 ( -1.126 -0.000 3.579) 3.752 1.902 ( -5.351 -0.000 0.220) 5.355 2.205 ( -0.295 -0.000 -3.918) 3.929 2.453 ( -2.131 -0.000 3.578) 4.164 2.921 ( 25.760 0.000 -1.326) 25.794 3.153 ( 7.000 0.000 -7.933) 10.580 3.537 ( -0.244 0.000 3.477) 3.486 3.953 ( 20.512 0.000 -13.691) 24.661 3.977 ( -1.737 -0.000 -0.188) 1.748 4.153 ( -0.617 -0.000 -12.432) 12.448 4.513 ( -4.633 -0.000 -12.945) 13.750 4.748 ( 3.840 0.000 -1.229) 4.032 4.974 ( 3.998 0.000 -12.670) 13.286 5.148 ( -7.342 -0.000 14.361) 16.129 5.285 ( -9.124 -0.000 -2.109) 9.365 5.595 ( -0.333 -0.000 -2.631) 2.652 5.813 ( 2.786 0.000 -12.625) 12.928 6.145 ( -4.028 -0.000 -9.050) 9.906 6.286 ( 1.390 -0.000 -8.265) 8.381 6.547 ( 4.215 0.000 -5.471) 6.906 6.817 ( 2.350 0.000 -4.111) 4.735 6.846 ( -1.182 -0.000 0.736) 1.392 7.155 ( 9.281 0.000 1.893) 9.472 7.347 ( -7.745 -0.000 -0.647) 7.772 7.500 ( -2.916 -0.000 -6.640) 7.252 7.666 ( 3.538 0.000 5.592) 6.617 7.672 ( 2.393 0.000 -9.882) 10.167 7.931 ( 10.047 0.000 -11.450) 15.233 7.940 ( -10.341 -0.000 4.948) 11.464 8.705 ( -1.164 -0.000 4.772) 4.912 8.725 ( 9.290 0.000 -5.646) 10.871 8.786 ( 9.265 0.000 -7.715) 12.056 9.007 ( 11.493 0.000 -8.561) 14.331 9.207 ( -9.182 -0.000 0.701) 9.208 9.482 ( 2.554 0.000 -9.366) 9.708 9.669 ( 8.313 0.000 15.484) 17.575 9.748 ( -6.958 -0.000 11.392) 13.349 9.914 ( -10.638 -0.000 0.041) 10.638 10.291 ( -6.064 -0.000 12.519) 13.911 10.293 ( -3.332 -0.000 16.019) 16.362 10.960 ( 12.086 0.000 9.511) 15.379 11.194 ( -7.232 -0.000 2.606) 7.688 11.530 ( 13.040 0.000 15.095) 19.948 11.862 ( -2.169 -0.000 1.538) 2.659 12.334 ( 0.267 -0.000 -7.064) 7.069 12.432 ( 0.532 -0.000 -8.224) 8.241 12.687 ( 2.716 0.000 3.300) 4.274 12.715 ( 2.426 0.000 18.457) 18.616 15.417 ( 2.850 0.000 17.766) 17.993 15.753 ( -22.763 -0.000 -15.298) 27.426 16.332 ( -6.818 -0.000 -28.825) 29.620 16.406 ( 4.335 0.000 15.682) 16.270 16.667 ( 2.394 -0.000 -23.946) 24.065 16.940 ( -3.231 -0.000 -5.222) 6.140 18.391 ( 8.744 0.000 36.722) 37.748 18.537 ( 31.566 0.000 -7.199) 32.377 18.554 ( -12.757 -0.000 -19.661) 23.437 19.525 ( -0.980 -0.000 -2.572) 2.752 19.975 ( 0.567 0.000 27.371) 27.377 20.418 ( -13.689 -0.000 9.478) 16.650 21.706 ( 42.248 0.000 24.795) 48.987 21.931 ( 4.247 0.000 22.914) 23.304 22.204 ( -19.643 -0.000 -19.341) 27.567 23.369 ( -27.181 -0.000 -13.383) 30.297 23.762 ( 14.158 0.000 -8.000) 16.262 24.398 ( 2.965 0.000 -8.941) 9.420 24.618 ( -11.456 -0.000 -6.409) 13.127 24.642 ( -1.215 -0.000 0.122) 1.221 ======================= Grid point 38 (36/96) ======================= q-point: ( 0.50 -0.07 -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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.58e-05 8.58e-05 Number of triplets: 147 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.497 ( 3.710 0.000 -7.294) 8.184 1.603 ( 0.591 0.000 -1.436) 1.553 1.702 ( 1.086 0.000 -0.124) 1.093 1.760 ( -3.484 -0.000 2.265) 4.156 1.768 ( 1.560 0.000 -0.374) 1.604 1.898 ( -6.756 -0.000 -8.188) 10.616 2.301 ( -4.461 -0.000 3.426) 5.625 2.441 ( -2.387 -0.000 -19.878) 20.021 3.367 ( 16.681 0.000 3.364) 17.017 3.394 ( -5.629 -0.000 10.189) 11.640 3.709 ( 28.040 0.000 -12.531) 30.712 3.905 ( -1.542 -0.000 3.057) 3.424 4.154 ( -0.417 0.000 9.819) 9.828 4.268 ( -26.489 -0.000 6.009) 27.162 4.335 ( 0.014 -0.000 -4.566) 4.566 4.750 ( -12.883 -0.000 4.720) 13.720 4.978 ( 17.886 0.000 -6.998) 19.207 5.055 ( -0.778 -0.000 -0.600) 0.982 5.169 ( -8.260 -0.000 1.944) 8.486 5.513 ( -11.340 -0.000 -13.583) 17.695 6.047 ( -5.221 -0.000 15.973) 16.805 6.298 ( 0.816 -0.000 -14.656) 14.679 6.426 ( 10.271 0.000 -2.683) 10.616 6.708 ( 5.846 0.000 11.936) 13.291 6.833 ( -14.724 -0.000 -13.122) 19.722 6.905 ( 4.941 0.000 -1.705) 5.227 7.166 ( -0.204 0.000 7.894) 7.896 7.194 ( -7.206 -0.000 0.903) 7.263 7.487 ( -0.917 -0.000 1.758) 1.983 7.577 ( -5.763 -0.000 3.163) 6.574 7.761 ( -3.754 -0.000 -2.883) 4.733 7.939 ( -5.353 -0.000 -17.195) 18.009 8.442 ( 14.788 0.000 -10.327) 18.037 8.477 ( -10.866 -0.000 11.291) 15.670 8.794 ( 7.047 0.000 9.433) 11.775 9.039 ( -8.722 -0.000 0.432) 8.732 9.135 ( -7.724 -0.000 17.307) 18.952 9.227 ( 15.368 0.000 -6.346) 16.626 9.410 ( 12.562 0.000 -10.226) 16.198 9.566 ( -12.853 -0.000 2.451) 13.084 9.566 ( 6.001 0.000 7.266) 9.423 9.914 ( 0.579 -0.000 -6.993) 7.017 10.127 ( 4.037 0.000 -2.467) 4.731 10.178 ( -2.387 -0.000 -12.096) 12.329 10.956 ( 6.345 0.000 5.397) 8.330 11.165 ( -1.269 -0.000 -7.011) 7.125 11.599 ( 13.040 0.000 4.363) 13.751 11.813 ( -3.013 -0.000 -3.292) 4.463 12.340 ( 1.345 0.000 12.637) 12.709 12.444 ( -0.197 -0.000 0.854) 0.877 12.703 ( 1.791 0.000 -6.835) 7.066 12.754 ( 1.270 -0.000 -9.642) 9.725 15.139 ( 7.984 0.000 18.750) 20.379 15.703 ( -11.287 -0.000 -11.111) 15.838 16.074 ( 3.838 0.000 24.082) 24.386 16.681 ( -7.904 -0.000 -19.302) 20.858 16.779 ( -4.237 -0.000 14.814) 15.408 16.971 ( -2.754 -0.000 -4.088) 4.929 18.046 ( 11.969 0.000 16.568) 20.439 18.790 ( -13.010 -0.000 -30.568) 33.221 19.305 ( 17.700 0.000 -8.289) 19.544 19.509 ( -10.484 -0.000 0.468) 10.494 19.629 ( 17.182 0.000 10.751) 20.269 20.184 ( -10.914 -0.000 -15.496) 18.953 21.542 ( 10.622 0.000 28.166) 30.102 21.950 ( 30.293 0.000 21.388) 37.083 22.361 ( -1.806 -0.000 -18.687) 18.775 23.123 ( -30.154 -0.000 -17.605) 34.917 24.064 ( 11.061 0.000 2.271) 11.292 24.388 ( -17.038 -0.000 0.615) 17.049 24.575 ( -2.807 -0.000 2.601) 3.827 24.598 ( 1.040 -0.000 -5.233) 5.336 ======================= Grid point 39 (37/96) ======================= q-point: ( 0.36 -0.07 -0.36) 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.58e-05 8.58e-05 Number of triplets: 147 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.557 ( -3.970 -0.000 -0.046) 3.970 1.603 ( -8.131 -0.000 -3.032) 8.678 1.625 ( -3.558 -0.000 -0.027) 3.558 1.674 ( -1.228 -0.000 0.602) 1.367 1.927 ( -2.273 -0.000 -4.576) 5.110 1.998 ( -2.481 -0.000 -13.996) 14.214 2.201 ( -3.044 -0.000 -0.500) 3.084 2.760 ( -13.242 -0.000 -23.496) 26.971 2.830 ( -11.525 -0.000 21.867) 24.718 3.459 ( -25.052 -0.000 7.805) 26.239 3.470 ( 1.405 0.000 8.483) 8.599 3.888 ( 10.398 0.000 15.991) 19.074 3.984 ( -6.891 -0.000 12.171) 13.987 4.220 ( 1.244 -0.000 -11.348) 11.416 4.420 ( -15.107 -0.000 -3.330) 15.469 4.605 ( 19.653 0.000 -1.505) 19.711 4.746 ( -2.911 -0.000 12.487) 12.822 5.212 ( 6.302 0.000 -8.523) 10.600 5.430 ( -15.313 -0.000 -1.257) 15.364 5.544 ( -9.202 -0.000 8.321) 12.407 5.626 ( 8.129 0.000 -10.740) 13.469 6.234 ( -13.356 -0.000 2.618) 13.610 6.309 ( -27.203 -0.000 4.981) 27.655 6.443 ( -10.448 -0.000 19.931) 22.504 6.721 ( 1.682 0.000 6.649) 6.858 6.738 ( 2.560 0.000 2.945) 3.902 7.192 ( 2.438 0.000 -1.383) 2.803 7.266 ( 10.332 0.000 -10.271) 14.569 7.370 ( -7.442 -0.000 0.123) 7.443 7.669 ( 14.291 0.000 -1.257) 14.346 7.680 ( -7.209 -0.000 4.873) 8.701 7.986 ( -12.891 -0.000 7.249) 14.790 8.084 ( -5.434 -0.000 -7.436) 9.210 8.708 ( -7.187 -0.000 10.355) 12.605 8.799 ( 17.163 0.000 11.504) 20.662 8.852 ( -9.366 -0.000 2.841) 9.788 8.878 ( 3.407 0.000 -15.874) 16.235 9.205 ( -17.373 -0.000 3.169) 17.660 9.435 ( -3.733 -0.000 4.891) 6.153 9.551 ( 16.932 0.000 3.223) 17.236 9.959 ( 9.220 0.000 -15.258) 17.827 10.059 ( 0.746 -0.000 -5.274) 5.326 10.421 ( -3.020 -0.000 -11.967) 12.343 10.482 ( 9.220 0.000 -15.251) 17.821 11.096 ( 9.819 0.000 -4.590) 10.839 11.366 ( -2.764 -0.000 -14.059) 14.329 11.772 ( 9.262 0.000 1.479) 9.380 11.927 ( -0.553 -0.000 -11.113) 11.127 12.172 ( 3.183 0.000 6.868) 7.570 12.340 ( -3.289 -0.000 3.525) 4.821 12.854 ( -2.712 -0.000 -7.619) 8.088 13.075 ( 2.084 -0.000 -16.781) 16.910 15.005 ( 16.616 0.000 17.032) 23.795 15.486 ( 7.521 0.000 34.411) 35.223 15.824 ( -5.654 -0.000 -5.421) 7.833 16.324 ( -7.460 -0.000 13.521) 15.442 16.802 ( -6.519 -0.000 2.582) 7.011 16.811 ( -8.167 -0.000 -3.065) 8.724 18.053 ( 11.211 0.000 8.182) 13.879 19.049 ( -29.093 -0.000 1.096) 29.113 19.318 ( -6.406 -0.000 -36.100) 36.664 19.379 ( 6.516 0.000 4.280) 7.796 20.301 ( 23.070 0.000 -16.498) 28.362 20.544 ( -1.177 -0.000 -24.548) 24.576 21.261 ( 20.175 0.000 27.800) 34.350 22.072 ( 21.799 0.000 13.265) 25.518 22.831 ( 12.346 0.000 -14.708) 19.203 22.946 ( -29.215 -0.000 -20.987) 35.972 23.947 ( -19.503 -0.000 6.460) 20.545 24.118 ( 8.026 0.000 9.190) 12.202 24.422 ( -3.657 -0.000 6.777) 7.701 24.664 ( -2.221 -0.000 -2.362) 3.242 ======================= Grid point 40 (38/96) ======================= q-point: ( 0.21 -0.07 -0.21) 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.58e-05 8.58e-05 Number of triplets: 147 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.303 ( -17.478 -0.000 7.700) 19.099 1.379 ( -21.438 -0.000 -1.799) 21.513 1.580 ( -5.263 -0.000 -0.895) 5.338 1.653 ( -1.176 -0.000 0.273) 1.208 1.968 ( -13.515 -0.000 -0.959) 13.549 1.987 ( -0.343 -0.000 -2.843) 2.864 2.154 ( -2.462 -0.000 5.856) 6.353 2.313 ( -3.396 -0.000 9.678) 10.256 2.813 ( -16.839 -0.000 -8.488) 18.857 2.910 ( -32.972 -0.000 14.640) 36.076 3.246 ( -6.151 -0.000 7.251) 9.509 3.315 ( 10.280 0.000 8.419) 13.288 3.873 ( 0.040 -0.000 -6.014) 6.014 4.402 ( -4.989 -0.000 -15.490) 16.273 4.591 ( 4.751 0.000 -7.841) 9.168 4.670 ( -9.745 -0.000 -3.945) 10.513 4.742 ( 0.887 0.000 1.608) 1.837 4.964 ( -16.163 -0.000 8.348) 18.191 5.130 ( -6.920 -0.000 6.779) 9.687 5.390 ( -29.214 -0.000 6.669) 29.965 5.507 ( -3.883 -0.000 12.425) 13.018 5.736 ( 9.779 0.000 0.586) 9.797 6.116 ( -5.565 -0.000 5.562) 7.868 6.240 ( 8.173 0.000 1.182) 8.258 6.668 ( 9.651 0.000 0.685) 9.676 6.807 ( 0.863 0.000 -1.485) 1.717 7.178 ( -14.854 -0.000 -1.338) 14.914 7.279 ( -1.392 -0.000 5.857) 6.020 7.384 ( -3.134 -0.000 4.399) 5.402 7.617 ( 3.497 0.000 -7.733) 8.487 7.778 ( -9.148 -0.000 -7.988) 12.145 7.783 ( -2.234 -0.000 2.235) 3.160 8.198 ( 7.159 0.000 -4.449) 8.429 8.379 ( -5.857 -0.000 10.301) 11.850 8.624 ( -12.902 -0.000 -3.525) 13.375 8.837 ( -13.361 -0.000 2.860) 13.664 8.877 ( 10.961 0.000 9.814) 14.713 9.223 ( 2.087 -0.000 -10.259) 10.469 9.302 ( -1.334 -0.000 -0.972) 1.651 9.795 ( 15.376 0.000 2.590) 15.592 10.106 ( -10.796 -0.000 -9.021) 14.069 10.377 ( 9.264 0.000 -8.993) 12.911 10.549 ( 10.076 0.000 4.206) 10.919 10.916 ( 1.678 -0.000 -13.613) 13.716 11.441 ( 13.438 0.000 -4.728) 14.246 11.523 ( -12.439 -0.000 -14.183) 18.865 11.850 ( 3.590 0.000 2.898) 4.614 12.143 ( -1.758 -0.000 -12.634) 12.756 12.231 ( -4.423 -0.000 -0.363) 4.438 12.271 ( 7.886 0.000 -4.579) 9.120 12.872 ( -7.684 -0.000 -3.912) 8.622 13.473 ( 2.293 -0.000 -16.964) 17.118 14.905 ( 6.234 0.000 31.673) 32.280 15.077 ( 24.078 0.000 15.788) 28.793 15.732 ( -1.317 0.000 8.117) 8.223 16.107 ( -6.460 -0.000 -4.472) 7.857 16.449 ( -7.809 -0.000 13.183) 15.322 16.762 ( -7.721 -0.000 -2.872) 8.238 18.080 ( 6.357 0.000 5.754) 8.574 18.433 ( -29.277 -0.000 0.577) 29.282 19.468 ( 6.358 0.000 0.371) 6.369 19.984 ( 1.001 -0.000 -30.776) 30.792 20.963 ( 13.593 0.000 -11.801) 18.000 20.964 ( 1.061 -0.000 -14.674) 14.712 21.182 ( 23.751 0.000 21.665) 32.147 22.325 ( 24.606 0.000 4.774) 25.065 22.790 ( -25.721 -0.000 -12.030) 28.395 23.346 ( 6.479 0.000 -16.125) 17.378 23.521 ( -21.378 -0.000 -9.702) 23.476 24.056 ( 7.621 0.000 10.508) 12.981 24.150 ( -4.221 -0.000 11.766) 12.501 24.626 ( -3.466 -0.000 -0.013) 3.466 ======================= Grid point 41 (39/96) ======================= q-point: ( 0.07 -0.07 -0.07) 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.58e-05 8.58e-05 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.630 ( -31.383 -0.000 -0.000) 31.383 0.801 ( -38.300 -0.000 -0.000) 38.300 1.066 ( -48.322 -0.000 -0.000) 48.322 1.621 ( -1.417 -0.000 -0.000) 1.417 1.732 ( -7.060 -0.000 -0.000) 7.060 1.937 ( -1.466 -0.000 -0.000) 1.466 2.011 ( -0.039 -0.000 -0.000) 0.039 2.291 ( 0.120 0.000 0.000) 0.120 2.363 ( 6.216 0.000 0.000) 6.216 2.604 ( -7.978 -0.000 -0.000) 7.978 3.254 ( 3.987 0.000 0.000) 3.987 3.600 ( 22.587 0.000 0.000) 22.587 3.957 ( -10.691 -0.000 -0.000) 10.691 4.274 ( -8.908 -0.000 -0.000) 8.908 4.388 ( -18.648 -0.000 -0.000) 18.648 4.531 ( -38.252 -0.000 -0.000) 38.252 4.653 ( -2.286 -0.000 -0.000) 2.286 4.927 ( 3.245 0.000 0.000) 3.245 5.040 ( -8.845 -0.000 -0.000) 8.845 5.186 ( 26.109 0.000 0.000) 26.109 5.285 ( 13.630 0.000 0.000) 13.630 5.762 ( -15.821 -0.000 -0.000) 15.821 6.122 ( -5.996 -0.000 -0.000) 5.996 6.128 ( 15.762 0.000 0.000) 15.762 6.699 ( -26.480 -0.000 -0.000) 26.480 6.793 ( -3.426 -0.000 -0.000) 3.426 7.060 ( 18.766 0.000 0.000) 18.766 7.130 ( -2.799 -0.000 -0.000) 2.799 7.406 ( 3.656 0.000 0.000) 3.656 7.633 ( -3.417 -0.000 -0.000) 3.417 7.762 ( 0.172 0.000 0.000) 0.172 7.830 ( -4.986 -0.000 -0.000) 4.986 8.107 ( -4.868 -0.000 -0.000) 4.868 8.407 ( 6.875 0.000 0.000) 6.875 8.514 ( -9.068 -0.000 -0.000) 9.068 8.572 ( -6.667 -0.000 -0.000) 6.667 8.813 ( -3.570 -0.000 -0.000) 3.570 9.378 ( 7.507 0.000 0.000) 7.507 9.385 ( 0.246 0.000 0.000) 0.246 10.027 ( -9.338 -0.000 -0.000) 9.338 10.030 ( 10.154 0.000 0.000) 10.154 10.665 ( 10.234 0.000 0.000) 10.234 10.720 ( 13.494 0.000 0.000) 13.494 11.014 ( -5.877 -0.000 -0.000) 5.877 11.466 ( -11.093 -0.000 -0.000) 11.093 11.744 ( 11.853 0.000 0.000) 11.853 11.843 ( 0.286 0.000 0.000) 0.286 12.149 ( -5.574 -0.000 -0.000) 5.574 12.445 ( 5.580 0.000 0.000) 5.580 12.473 ( 4.032 0.000 0.000) 4.032 12.756 ( -6.696 -0.000 -0.000) 6.696 13.727 ( 1.037 0.000 0.000) 1.037 14.627 ( 4.184 0.000 0.000) 4.184 15.213 ( 17.416 0.000 0.000) 17.416 15.603 ( -1.256 -0.000 -0.000) 1.256 16.003 ( -15.511 -0.000 -0.000) 15.511 16.090 ( -2.334 -0.000 -0.000) 2.334 16.670 ( -4.193 -0.000 -0.000) 4.193 17.981 ( -16.109 -0.000 -0.000) 16.109 18.097 ( 2.604 0.000 0.000) 2.604 19.566 ( 3.481 0.000 0.000) 3.481 20.392 ( 1.798 0.000 0.000) 1.798 21.112 ( -2.058 -0.000 -0.000) 2.058 21.272 ( 6.786 0.000 0.000) 6.786 21.402 ( 27.646 0.000 0.000) 27.646 22.416 ( -23.094 -0.000 -0.000) 23.094 22.754 ( 19.014 0.000 0.000) 19.014 23.555 ( -5.915 -0.000 -0.000) 5.915 23.589 ( -5.449 -0.000 -0.000) 5.449 23.924 ( -2.776 -0.000 -0.000) 2.776 24.074 ( 9.501 0.000 0.000) 9.501 24.566 ( -2.345 -0.000 -0.000) 2.345 ======================= Grid point 42 (40/96) ======================= q-point: ( 0.51 -0.09 0.09) 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.58e-05 8.58e-05 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.529 ( -0.000 -2.546 -2.343) 3.460 1.538 ( 0.000 2.809 1.890) 3.385 1.620 ( -0.000 -7.095 -8.558) 11.117 1.683 ( 0.000 5.370 2.574) 5.955 2.131 ( -0.000 -5.032 -5.544) 7.487 2.235 ( 0.000 8.345 -3.940) 9.228 2.427 ( 0.000 0.009 7.439) 7.439 2.569 ( -0.000 -1.497 -12.150) 12.242 2.702 ( -0.000 -8.527 2.106) 8.784 2.912 ( 0.000 8.717 -1.165) 8.794 3.865 ( -0.000 -4.696 2.748) 5.441 3.876 ( 0.000 4.542 12.656) 13.447 4.212 ( -0.000 -8.474 -3.509) 9.172 4.276 ( -0.000 5.574 -16.286) 17.214 4.333 ( 0.000 10.636 -17.798) 20.734 4.488 ( 0.000 17.760 -4.410) 18.300 4.958 ( 0.000 6.543 17.841) 19.003 5.320 ( -0.000 -3.211 -4.514) 5.539 5.373 ( 0.000 5.992 -1.195) 6.110 5.611 ( -0.000 1.557 -7.264) 7.429 6.091 ( -0.000 -9.737 16.188) 18.891 6.263 ( 0.000 0.846 3.059) 3.174 6.386 ( -0.000 0.300 -2.399) 2.418 6.559 ( 0.000 7.394 -7.765) 10.722 6.812 ( -0.000 -6.324 6.224) 8.873 7.023 ( -0.000 -6.657 2.583) 7.141 7.129 ( -0.000 1.046 -6.780) 6.861 7.221 ( 0.000 10.907 -3.698) 11.517 7.386 ( -0.000 -4.853 -3.369) 5.907 7.503 ( 0.000 3.288 -1.591) 3.653 7.766 ( -0.000 -0.995 -0.381) 1.066 7.909 ( -0.000 1.124 -3.282) 3.469 8.157 ( 0.000 24.051 10.913) 26.411 8.229 ( 0.000 4.508 -6.804) 8.162 8.825 ( -0.000 -1.271 -1.397) 1.889 8.888 ( 0.000 3.411 -4.208) 5.417 9.000 ( -0.000 -6.203 0.940) 6.274 9.079 ( 0.000 4.773 3.555) 5.951 9.303 ( 0.000 -0.836 11.120) 11.152 9.517 ( -0.000 -5.014 -6.217) 7.987 9.831 ( -0.000 -3.114 0.086) 3.115 9.954 ( -0.000 -1.425 -4.477) 4.698 10.131 ( -0.000 -3.989 -1.465) 4.250 10.276 ( 0.000 10.555 -1.671) 10.686 10.812 ( -0.000 -10.958 5.637) 12.323 10.901 ( -0.000 -13.089 -3.293) 13.497 11.475 ( -0.000 -7.658 -8.779) 11.649 11.579 ( 0.000 12.363 1.822) 12.497 12.249 ( 0.000 -4.130 16.264) 16.781 12.578 ( 0.000 3.703 -4.584) 5.893 12.704 ( -0.000 -2.746 -5.951) 6.554 12.709 ( -0.000 -5.214 -7.438) 9.084 15.457 ( -0.000 -18.318 19.821) 26.989 15.738 ( 0.000 -0.751 17.476) 17.492 16.755 ( 0.000 13.392 -3.514) 13.845 16.812 ( 0.000 5.385 19.424) 20.156 16.885 ( -0.000 4.295 -8.489) 9.514 17.113 ( -0.000 -9.300 -13.454) 16.355 17.568 ( 0.000 5.676 14.055) 15.158 18.001 ( -0.000 -2.703 -35.404) 35.507 18.730 ( 0.000 10.599 28.844) 30.730 19.304 ( -0.000 2.392 -31.870) 31.960 19.993 ( -0.000 -7.231 -1.805) 7.453 20.086 ( -0.000 0.179 -4.342) 4.346 21.464 ( -0.000 -34.866 17.651) 39.079 22.027 ( -0.000 -19.782 16.157) 25.541 22.312 ( 0.000 15.819 -2.122) 15.961 23.015 ( 0.000 26.998 -20.262) 33.755 24.499 ( 0.000 3.826 6.059) 7.166 24.540 ( -0.000 -1.966 -7.582) 7.832 24.599 ( -0.000 -7.585 1.243) 7.687 24.824 ( 0.000 9.443 -1.561) 9.571 ======================= Grid point 43 (41/96) ======================= q-point: ( 0.37 -0.09 0.23) 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.58e-05 8.58e-05 Number of triplets: 246 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.437 ( -2.376 6.402 5.576) 8.816 1.563 ( 1.282 0.787 1.194) 1.920 1.598 ( 0.125 3.475 2.239) 4.136 1.771 ( -4.621 1.434 -4.966) 6.933 2.162 ( -2.486 -1.106 -2.919) 3.990 2.233 ( -5.046 6.991 -2.833) 9.075 2.443 ( 6.470 1.318 0.329) 6.611 2.647 ( -8.530 -0.188 -4.008) 9.426 2.693 ( 0.706 4.013 -2.075) 4.572 3.015 ( 5.165 2.750 -9.573) 11.220 3.571 ( -6.737 5.829 6.587) 11.080 3.880 ( -4.382 7.373 6.184) 10.574 4.177 ( -4.963 2.810 -1.257) 5.840 4.564 ( 0.182 13.066 12.596) 18.150 4.589 ( 8.409 -0.582 -5.904) 10.291 4.765 ( 9.811 17.061 -12.506) 23.318 4.822 ( 5.262 7.698 -4.607) 10.401 5.125 ( -0.659 -3.473 -1.720) 3.931 5.517 ( -15.468 -5.623 10.902) 19.742 5.628 ( 4.767 13.489 2.028) 14.450 5.677 ( -3.875 10.795 -5.707) 12.811 6.223 ( -10.859 -3.044 1.516) 11.379 6.402 ( 5.855 1.820 -3.226) 6.928 6.712 ( 0.712 3.579 3.762) 5.242 6.768 ( 1.163 2.678 -5.477) 6.207 7.005 ( 1.346 -1.572 4.850) 5.274 7.075 ( -1.501 1.896 6.392) 6.834 7.326 ( -7.230 0.241 2.280) 7.585 7.418 ( -2.375 2.969 -4.893) 6.197 7.500 ( 1.130 12.708 -4.091) 13.398 7.709 ( 5.542 3.685 7.313) 9.888 7.904 ( 0.440 10.639 4.998) 11.763 8.091 ( 10.727 -0.450 -5.263) 11.958 8.334 ( 7.018 10.067 3.695) 12.815 8.737 ( -0.455 13.811 9.579) 16.814 8.875 ( -0.673 -10.452 3.897) 11.175 8.958 ( 4.449 7.217 6.218) 10.514 9.187 ( 8.624 3.352 -1.219) 9.332 9.374 ( 6.102 -11.865 -9.367) 16.302 9.687 ( 1.480 -9.086 -7.432) 11.832 9.718 ( -1.629 -0.080 6.915) 7.105 10.131 ( 6.501 -2.209 -6.538) 9.481 10.146 ( -0.981 -7.493 -3.133) 8.180 10.485 ( -4.853 1.076 -19.127) 19.762 10.676 ( -3.828 -16.630 2.351) 17.226 11.157 ( 3.773 -13.563 -10.828) 17.761 11.537 ( -2.044 6.068 -1.279) 6.529 11.747 ( 5.600 -4.859 -9.394) 11.967 11.985 ( 2.243 -5.703 9.033) 10.916 12.495 ( -2.799 2.507 4.364) 5.759 12.898 ( -1.582 -3.111 -15.383) 15.774 12.987 ( 0.976 -2.211 -13.008) 13.230 14.956 ( -2.612 -13.981 25.814) 29.473 15.280 ( 5.105 -10.100 29.185) 31.302 16.227 ( -3.409 0.855 22.137) 22.415 16.763 ( -5.065 16.846 -2.080) 17.713 16.925 ( -14.509 5.331 -6.896) 16.926 17.345 ( 0.428 9.814 0.210) 9.825 17.511 ( 7.562 -10.090 -1.948) 12.759 18.330 ( 13.527 11.947 16.180) 24.238 19.034 ( 16.282 -3.510 -37.273) 40.825 19.647 ( -4.434 -0.541 -7.116) 8.402 20.077 ( -2.149 -7.102 -7.648) 10.656 20.477 ( 1.096 -9.157 -25.888) 27.481 21.014 ( -8.706 -21.872 11.911) 26.383 21.799 ( 10.803 -25.336 17.229) 32.488 22.341 ( 3.800 7.595 0.408) 8.503 23.388 ( -1.748 21.172 -15.418) 26.249 24.293 ( -8.591 8.611 5.751) 13.455 24.438 ( -7.603 -1.782 6.770) 10.336 24.630 ( -0.053 5.176 -1.378) 5.357 24.859 ( -1.604 6.533 -3.995) 7.824 ======================= Grid point 44 (42/96) ======================= q-point: ( 0.23 -0.09 0.37) 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.58e-05 8.58e-05 Number of triplets: 246 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.383 ( 5.238 4.241 -0.794) 6.786 1.546 ( 6.566 5.183 4.883) 9.686 1.626 ( 1.847 -0.696 -0.114) 1.977 1.751 ( -0.223 -0.025 0.402) 0.460 2.102 ( -3.810 8.525 -0.272) 9.342 2.225 ( -0.806 -0.350 2.106) 2.282 2.422 ( -5.078 6.353 1.293) 8.235 2.679 ( 7.458 6.639 -3.482) 10.574 2.748 ( -1.779 21.439 6.341) 22.428 3.218 ( -11.800 8.277 1.185) 14.462 3.397 ( 10.405 3.520 -2.359) 11.235 3.695 ( 2.581 -7.704 -2.806) 8.596 4.097 ( -6.730 -3.772 15.576) 17.382 4.281 ( -19.471 15.100 -1.398) 24.680 4.465 ( -12.576 3.643 -7.784) 15.232 4.869 ( -11.740 0.205 1.263) 11.810 5.097 ( 4.205 -5.625 -9.879) 12.120 5.291 ( 10.648 9.207 -6.229) 15.393 5.426 ( 4.843 0.648 -4.829) 6.870 5.623 ( 4.123 17.945 7.266) 19.794 5.844 ( 3.196 21.519 -2.278) 21.874 6.010 ( -4.076 4.503 1.131) 6.179 6.029 ( -16.481 -3.141 12.356) 20.836 6.627 ( -5.390 -3.396 4.398) 7.741 6.933 ( 13.469 15.589 0.791) 20.616 7.038 ( 5.853 0.209 -4.703) 7.511 7.080 ( 2.958 0.366 -3.735) 4.779 7.243 ( 8.661 -10.248 1.585) 13.511 7.461 ( -7.008 -1.249 -4.984) 8.690 7.648 ( -3.172 6.792 4.612) 8.801 7.697 ( -3.094 -0.307 4.631) 5.577 7.892 ( 7.499 6.811 -9.578) 13.941 8.185 ( 9.705 7.179 11.131) 16.421 8.515 ( -12.606 3.246 0.590) 13.030 8.544 ( 6.230 6.108 2.930) 9.204 8.743 ( 8.039 -1.819 4.637) 9.457 8.973 ( 6.687 -4.978 1.906) 8.551 9.315 ( 1.396 -0.823 -1.941) 2.529 9.521 ( -3.164 -5.369 5.742) 8.474 9.722 ( 4.574 -4.385 -2.054) 6.661 9.822 ( 4.360 -5.616 -3.775) 8.050 10.220 ( -7.750 -8.816 -7.146) 13.743 10.355 ( 11.666 -1.665 -0.516) 11.796 10.590 ( 1.855 -10.929 -7.428) 13.344 10.886 ( 4.982 4.532 -9.669) 11.783 11.303 ( -9.308 -4.993 -6.685) 12.501 11.564 ( -1.706 -0.221 -6.022) 6.263 11.880 ( 6.488 -6.867 4.041) 10.275 12.081 ( 8.333 -4.333 -0.895) 9.435 12.416 ( -1.553 0.914 -2.654) 3.208 13.218 ( -3.033 -1.142 -11.434) 11.885 13.265 ( 0.611 0.803 -20.536) 20.560 14.366 ( -1.293 -4.930 27.380) 27.850 14.842 ( 8.180 -13.320 23.577) 28.288 15.837 ( -2.048 0.596 11.227) 11.427 16.664 ( -11.183 10.310 -4.063) 15.744 16.747 ( -5.975 6.745 2.877) 9.459 17.344 ( 5.899 9.445 3.655) 11.720 17.588 ( -5.242 -9.746 -2.995) 11.464 18.535 ( 31.395 10.680 8.344) 34.195 19.495 ( -4.070 -7.004 1.444) 8.228 20.037 ( 6.027 1.509 -20.111) 21.048 20.297 ( -2.504 -11.122 -13.978) 18.037 20.401 ( -17.063 -7.428 -2.856) 18.828 21.125 ( -1.176 -0.592 -16.143) 16.196 21.717 ( 17.825 -30.952 16.800) 39.471 22.541 ( 18.572 -8.291 0.363) 20.341 23.480 ( -14.057 17.355 -4.297) 22.744 23.963 ( -14.211 14.278 1.619) 20.209 24.146 ( -6.475 2.197 5.063) 8.508 24.624 ( -0.763 3.673 1.314) 3.974 24.895 ( -3.403 4.688 -3.731) 6.891 ======================= Grid point 45 (43/96) ======================= q-point: ( 0.09 -0.09 0.51) 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.58e-05 8.58e-05 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.566 ( 2.418 1.601 -0.000) 2.900 1.588 ( 2.175 0.064 0.000) 2.176 1.649 ( 0.756 -0.228 0.000) 0.790 1.676 ( -3.064 6.138 -0.000) 6.860 2.085 ( -3.507 0.949 -0.000) 3.633 2.155 ( 1.078 0.069 0.000) 1.080 2.358 ( -12.311 22.175 -0.000) 25.363 2.402 ( 1.668 3.643 -0.000) 4.006 2.989 ( 16.434 8.767 -0.000) 18.626 3.260 ( -9.570 -1.690 -0.000) 9.718 3.439 ( -2.317 5.250 -0.000) 5.738 3.532 ( -0.694 -4.357 0.000) 4.412 3.568 ( -24.082 6.935 -0.000) 25.060 4.188 ( 10.982 0.134 0.000) 10.983 4.528 ( -5.116 3.084 -0.000) 5.974 4.726 ( -4.520 6.854 -0.000) 8.211 5.206 ( -8.388 2.552 -0.000) 8.768 5.299 ( 0.170 4.328 -0.000) 4.331 5.505 ( -6.570 0.971 -0.000) 6.642 5.635 ( -0.393 2.392 -0.000) 2.424 5.734 ( 10.164 -2.572 0.000) 10.485 5.760 ( -8.150 -25.189 0.000) 26.475 6.208 ( 5.211 25.810 -0.000) 26.331 6.556 ( -0.355 -5.743 0.000) 5.754 7.030 ( -1.995 -2.763 0.000) 3.408 7.055 ( 0.615 -1.653 0.000) 1.763 7.315 ( 2.321 1.706 -0.000) 2.881 7.371 ( 0.629 0.324 -0.000) 0.707 7.391 ( 7.261 -3.601 0.000) 8.105 7.529 ( -2.618 7.746 -0.000) 8.177 7.599 ( -2.071 5.254 -0.000) 5.648 8.130 ( -0.017 0.829 -0.000) 0.829 8.159 ( -4.547 -10.968 0.000) 11.873 8.317 ( -10.139 4.645 -0.000) 11.152 8.395 ( 7.581 9.965 -0.000) 12.521 8.939 ( 4.634 2.519 -0.000) 5.275 9.160 ( 13.659 -10.027 0.000) 16.944 9.348 ( -2.691 -3.439 0.000) 4.366 9.384 ( 1.730 -2.610 0.000) 3.131 9.603 ( -11.955 5.040 -0.000) 12.974 9.959 ( 2.122 -17.627 0.000) 17.755 10.228 ( 5.131 4.005 -0.000) 6.509 10.705 ( 17.135 3.973 0.000) 17.590 10.749 ( 2.140 -3.104 0.000) 3.770 11.053 ( 2.446 8.659 -0.000) 8.998 11.071 ( -16.118 -2.831 -0.000) 16.365 11.704 ( 3.003 -0.868 0.000) 3.126 11.894 ( 2.920 -3.152 0.000) 4.297 12.230 ( 5.252 -1.020 0.000) 5.350 12.461 ( 0.163 -2.062 0.000) 2.068 13.266 ( -3.594 0.491 -0.000) 3.627 13.670 ( 0.455 0.688 -0.000) 0.825 13.908 ( 1.460 0.638 -0.000) 1.593 14.742 ( 7.198 -9.321 0.000) 11.777 15.688 ( -1.481 0.671 -0.000) 1.626 16.512 ( -7.747 3.310 -0.000) 8.424 16.639 ( -2.569 3.522 -0.000) 4.360 17.377 ( -1.789 -2.113 0.000) 2.768 17.547 ( 1.623 2.030 -0.000) 2.599 19.109 ( 35.258 5.545 0.000) 35.691 19.401 ( -3.610 -6.184 0.000) 7.160 19.793 ( -29.621 5.315 -0.000) 30.094 20.225 ( 0.208 -0.402 0.000) 0.453 20.773 ( 6.284 -4.995 0.000) 8.027 21.244 ( -3.029 2.044 -0.000) 3.655 21.928 ( 25.211 -33.185 0.000) 41.676 22.952 ( 15.466 -7.669 0.000) 17.263 23.106 ( -14.787 19.691 -0.000) 24.625 23.672 ( -16.598 11.038 -0.000) 19.933 24.033 ( -3.311 3.174 -0.000) 4.586 24.573 ( -1.878 -0.439 0.000) 1.929 24.870 ( -2.993 1.132 -0.000) 3.200 ======================= Grid point 47 (44/96) ======================= q-point: (-0.20 -0.09 -0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.58e-05 8.58e-05 Number of triplets: 246 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.315 ( -0.927 -1.451 -1.279) 2.145 1.464 ( -4.263 -10.701 -0.662) 11.538 1.639 ( -1.908 1.335 0.569) 2.397 1.650 ( 1.523 -4.157 6.436) 7.811 1.865 ( 5.245 -8.516 -1.722) 10.148 2.175 ( 2.429 0.665 2.708) 3.697 2.284 ( 6.783 -3.335 2.347) 7.915 2.650 ( -4.902 -5.170 5.143) 8.787 2.739 ( -14.149 -1.128 -15.127) 20.743 3.251 ( -16.997 0.948 7.877) 18.757 3.496 ( -4.728 1.859 -25.520) 26.021 3.654 ( 0.603 -9.396 -9.625) 13.465 3.970 ( -0.717 -8.714 -8.883) 12.465 4.432 ( 5.439 -0.951 -8.383) 10.038 4.609 ( 0.875 -8.721 3.980) 9.626 4.665 ( -8.955 -7.450 0.702) 11.670 4.953 ( -6.470 -5.755 -0.492) 8.673 5.098 ( 7.635 9.732 10.316) 16.107 5.349 ( 1.882 -2.671 0.673) 3.336 5.425 ( -5.495 -7.112 0.471) 9.000 5.450 ( -0.193 -9.047 -15.080) 17.586 6.128 ( 2.153 2.788 -0.001) 3.523 6.318 ( 14.524 7.363 -0.272) 16.286 6.504 ( 11.197 -6.919 4.974) 14.070 6.777 ( -3.583 -0.114 1.637) 3.941 6.897 ( -10.581 -12.883 -8.443) 18.687 7.132 ( 3.128 5.178 0.946) 6.123 7.347 ( -3.381 0.020 5.903) 6.802 7.488 ( -9.658 2.210 -0.726) 9.934 7.502 ( -3.943 -1.669 1.547) 4.552 7.692 ( -5.666 -5.293 -9.143) 11.988 7.888 ( -1.960 0.180 -4.374) 4.797 8.202 ( 4.732 -6.352 0.238) 7.924 8.344 ( -9.906 3.926 7.765) 13.184 8.511 ( -2.670 -8.122 -14.580) 16.901 8.955 ( -7.719 -5.520 -1.950) 9.688 9.102 ( -2.079 4.624 -2.779) 5.781 9.251 ( -6.437 -2.789 -4.089) 8.120 9.581 ( -0.602 -5.087 3.203) 6.041 9.748 ( 0.640 3.532 2.339) 4.284 9.807 ( -4.368 4.310 -0.159) 6.138 10.127 ( 3.686 1.525 15.854) 16.348 10.336 ( 5.804 5.941 15.747) 17.803 10.456 ( 2.025 6.906 8.676) 11.272 11.002 ( -7.854 12.307 -0.649) 14.614 11.263 ( 6.334 2.622 6.085) 9.166 11.411 ( 3.663 2.547 4.212) 6.136 11.957 ( -5.976 3.456 11.433) 13.355 12.164 ( -4.166 5.046 -3.677) 7.506 12.349 ( 4.266 -4.355 -4.074) 7.332 12.902 ( 0.325 -2.049 11.871) 12.051 12.986 ( 2.419 2.528 15.775) 16.159 15.085 ( 7.326 9.212 -27.264) 29.696 15.610 ( -2.681 10.335 -27.147) 29.171 16.116 ( 3.336 -3.527 -17.247) 17.918 16.266 ( 7.658 -16.390 7.989) 19.777 16.690 ( 1.658 -1.549 0.223) 2.280 17.133 ( -3.364 -14.681 0.453) 15.068 17.846 ( 1.867 15.409 -4.088) 16.051 18.563 ( -28.048 -6.821 -9.408) 30.360 19.330 ( -10.977 -3.423 34.113) 35.998 19.582 ( 2.161 -2.035 4.059) 5.029 20.127 ( 6.679 9.097 16.894) 20.317 20.742 ( -0.003 10.980 11.739) 16.073 21.034 ( 22.948 18.095 -14.664) 32.697 22.147 ( -6.815 -4.210 21.632) 23.067 22.807 ( -21.347 26.049 -10.591) 35.304 23.009 ( -3.108 -18.455 6.329) 19.757 23.729 ( 18.280 -18.260 -7.684) 26.956 24.317 ( 10.576 2.423 -8.011) 13.487 24.549 ( -1.500 -4.459 -1.778) 5.029 24.734 ( -0.568 -5.412 1.669) 5.692 ======================= Grid point 49 (45/96) ======================= q-point: ( 0.10 -0.10 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.58e-05 8.58e-05 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.392 ( 0.000 21.720 -0.000) 21.720 0.742 ( 0.000 28.331 -0.000) 28.331 1.315 ( 0.000 62.009 -0.000) 62.009 1.604 ( -0.000 -0.195 0.000) 0.195 1.814 ( 0.000 14.190 -0.000) 14.190 1.909 ( 0.000 5.817 -0.000) 5.817 1.934 ( 0.000 1.135 -0.000) 1.135 2.300 ( 0.000 0.705 -0.000) 0.705 2.421 ( 0.000 24.694 -0.000) 24.694 2.663 ( 0.000 12.051 -0.000) 12.051 3.348 ( -0.000 -2.564 0.000) 2.564 3.355 ( 0.000 26.151 -0.000) 26.151 3.961 ( -0.000 -3.727 0.000) 3.727 4.078 ( 0.000 4.096 -0.000) 4.096 4.264 ( 0.000 5.859 -0.000) 5.859 4.565 ( -0.000 -4.607 0.000) 4.607 4.966 ( 0.000 1.386 -0.000) 1.386 5.064 ( 0.000 14.704 -0.000) 14.704 5.384 ( -0.000 -14.492 0.000) 14.492 5.398 ( 0.000 12.695 -0.000) 12.695 5.639 ( -0.000 -6.230 0.000) 6.230 6.067 ( 0.000 12.289 -0.000) 12.289 6.224 ( -0.000 -6.910 0.000) 6.910 6.283 ( -0.000 -1.167 0.000) 1.167 6.324 ( -0.000 -6.419 0.000) 6.419 6.475 ( -0.000 -5.960 0.000) 5.960 6.987 ( 0.000 13.142 -0.000) 13.142 7.123 ( 0.000 0.314 -0.000) 0.314 7.385 ( 0.000 10.997 -0.000) 10.997 7.472 ( 0.000 3.782 -0.000) 3.782 7.591 ( -0.000 -1.017 0.000) 1.017 7.713 ( -0.000 -0.230 0.000) 0.230 7.877 ( 0.000 6.625 -0.000) 6.625 8.129 ( 0.000 4.609 -0.000) 4.609 8.464 ( -0.000 -3.570 0.000) 3.570 8.529 ( 0.000 5.232 -0.000) 5.232 8.735 ( -0.000 -6.912 0.000) 6.912 9.435 ( 0.000 4.506 -0.000) 4.506 9.583 ( -0.000 -15.369 0.000) 15.369 9.933 ( -0.000 -0.059 0.000) 0.059 10.024 ( 0.000 1.307 -0.000) 1.307 10.109 ( -0.000 -3.467 0.000) 3.467 10.779 ( -0.000 -11.954 0.000) 11.954 10.885 ( 0.000 4.922 -0.000) 4.922 11.237 ( -0.000 -0.700 0.000) 0.700 11.863 ( -0.000 -2.758 0.000) 2.758 11.921 ( -0.000 -0.024 0.000) 0.024 11.928 ( -0.000 -15.618 0.000) 15.618 12.004 ( -0.000 -6.093 0.000) 6.093 12.492 ( -0.000 -0.649 0.000) 0.649 12.946 ( 0.000 19.269 -0.000) 19.269 13.699 ( -0.000 -3.804 0.000) 3.804 14.599 ( -0.000 -6.973 0.000) 6.973 15.014 ( -0.000 -25.747 0.000) 25.747 15.783 ( -0.000 -0.142 0.000) 0.142 15.996 ( 0.000 22.736 -0.000) 22.736 16.707 ( 0.000 8.270 -0.000) 8.270 17.031 ( 0.000 2.895 -0.000) 2.895 17.758 ( -0.000 -6.582 0.000) 6.582 18.073 ( -0.000 -4.795 0.000) 4.795 19.619 ( 0.000 3.596 -0.000) 3.596 20.399 ( -0.000 -1.186 0.000) 1.186 20.973 ( -0.000 -11.384 0.000) 11.384 21.344 ( 0.000 0.498 -0.000) 0.498 21.838 ( -0.000 -16.208 0.000) 16.208 21.920 ( -0.000 -30.319 0.000) 30.319 22.305 ( -0.000 -5.290 0.000) 5.290 23.266 ( 0.000 23.569 -0.000) 23.569 23.613 ( 0.000 11.242 -0.000) 11.242 24.167 ( 0.000 9.542 -0.000) 9.542 24.176 ( -0.000 -0.053 0.000) 0.053 24.627 ( 0.000 8.223 -0.000) 8.223 ======================= Grid point 51 (46/96) ======================= q-point: (-0.19 -0.10 0.39) 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.58e-05 8.58e-05 Number of triplets: 245 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.262 ( 18.230 1.957 1.876) 18.430 1.389 ( 3.902 -3.607 -3.635) 6.438 1.581 ( 0.884 2.555 2.050) 3.393 1.656 ( 1.165 -0.386 -0.065) 1.229 1.818 ( -1.629 -1.992 -0.353) 2.598 2.136 ( 1.479 9.914 2.772) 10.400 2.181 ( -2.170 1.385 0.983) 2.756 2.593 ( 3.808 1.157 4.403) 5.935 2.712 ( 8.850 1.824 -16.651) 18.945 3.164 ( 15.115 10.709 -0.444) 18.529 3.487 ( 2.693 2.553 -9.778) 10.458 3.636 ( 12.971 -10.760 -14.835) 22.452 3.894 ( 10.263 -0.902 -6.521) 12.193 4.186 ( 6.206 17.364 -8.590) 20.343 4.439 ( -3.077 7.095 9.108) 11.948 4.676 ( 4.259 -1.095 1.765) 4.738 4.832 ( 2.902 6.985 -8.987) 11.746 5.171 ( 14.319 -1.063 -5.524) 15.385 5.356 ( -10.840 -5.668 -0.253) 12.235 5.395 ( 1.697 -5.482 -8.991) 10.666 5.466 ( 0.297 -2.666 -2.322) 3.548 6.180 ( -12.095 1.686 7.749) 14.463 6.188 ( 0.766 12.659 -5.056) 13.653 6.536 ( 5.641 12.637 -11.844) 18.215 6.625 ( -0.646 -3.964 -4.592) 6.101 6.775 ( 3.921 0.077 -2.752) 4.791 7.235 ( 2.404 3.884 1.324) 4.756 7.271 ( -0.008 -5.393 0.208) 5.397 7.507 ( -1.043 0.773 1.820) 2.236 7.518 ( 0.233 -1.359 -1.618) 2.126 7.682 ( 11.705 -2.254 -6.925) 13.786 7.847 ( 3.648 3.776 -1.049) 5.354 8.114 ( -7.233 3.410 5.066) 9.466 8.470 ( 6.047 -8.815 -8.864) 13.887 8.512 ( 8.281 -6.846 -1.373) 10.832 8.861 ( 9.952 2.526 -2.444) 10.555 9.044 ( 2.181 8.199 8.325) 11.886 9.226 ( 1.895 2.205 -11.363) 11.729 9.412 ( -0.770 10.661 0.771) 10.716 9.811 ( -8.603 -2.899 0.298) 9.083 9.892 ( 7.347 -3.809 4.972) 9.655 10.123 ( -5.654 0.949 18.081) 18.968 10.460 ( -7.021 -5.386 9.419) 12.924 10.572 ( -3.769 -4.793 13.416) 14.737 11.176 ( 11.344 -4.115 10.090) 15.730 11.267 ( -8.116 -1.832 7.738) 11.362 11.614 ( -1.822 -14.576 2.543) 14.908 11.982 ( 3.427 1.581 10.533) 11.188 12.237 ( 2.734 -2.056 -1.244) 3.639 12.280 ( -2.495 2.228 -5.023) 6.035 12.822 ( 2.681 4.320 6.393) 8.168 13.064 ( -2.004 -3.983 18.554) 19.082 15.272 ( -15.318 -10.102 -23.221) 29.596 15.701 ( -8.317 2.165 -31.896) 33.033 15.929 ( -1.201 16.485 10.156) 19.400 16.119 ( 2.988 -5.065 -14.866) 15.987 16.689 ( 3.062 -0.038 -1.679) 3.492 16.851 ( 2.582 13.043 -3.222) 13.681 18.119 ( -4.198 -11.941 -7.135) 14.530 18.482 ( 26.724 2.394 -5.528) 27.394 19.257 ( 6.475 3.494 39.540) 40.218 19.522 ( -3.614 3.372 -0.117) 4.944 20.338 ( -5.663 -12.336 21.776) 25.660 20.804 ( -5.592 4.189 15.790) 17.267 21.437 ( -25.250 -20.984 -23.521) 40.388 22.143 ( 17.457 -5.044 29.175) 34.371 22.618 ( 8.761 20.089 8.963) 23.678 23.272 ( 6.662 -12.040 -5.191) 14.707 23.413 ( -7.661 6.279 -10.324) 14.307 24.317 ( -5.885 4.187 -9.629) 12.037 24.451 ( -0.306 3.893 -7.201) 8.191 24.654 ( 0.886 2.341 0.057) 2.504 ======================= Grid point 52 (47/96) ======================= q-point: (-0.33 -0.10 0.53) 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.58e-05 8.58e-05 Number of triplets: 245 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.445 ( 8.381 -4.184 4.736) 10.496 1.477 ( -4.293 -9.096 -4.475) 11.009 1.638 ( 6.157 -0.989 -0.266) 6.241 1.674 ( 0.088 -0.598 -0.418) 0.735 1.805 ( 1.577 2.844 -3.381) 4.691 2.009 ( -3.561 9.003 5.794) 11.283 2.200 ( 1.841 -2.701 -2.853) 4.339 2.402 ( -2.309 -2.526 11.915) 12.397 3.356 ( 12.967 8.143 -16.361) 22.408 3.489 ( 17.171 0.671 -0.518) 17.192 3.708 ( 7.506 11.355 -3.129) 13.967 4.077 ( 4.272 4.818 -5.167) 8.256 4.113 ( -3.858 6.994 0.679) 8.016 4.298 ( -14.220 -0.919 -6.250) 15.560 4.404 ( 14.718 1.744 0.633) 14.834 4.584 ( -22.203 -1.029 -5.154) 22.816 4.910 ( 8.928 -5.881 -2.246) 10.924 5.126 ( 1.495 2.626 2.946) 4.221 5.304 ( 2.948 -0.436 7.909) 8.452 5.423 ( -12.408 5.388 7.941) 15.686 5.853 ( 3.614 -5.177 -21.993) 22.881 6.154 ( 15.818 -15.356 -7.051) 23.145 6.269 ( 2.743 -2.590 4.227) 5.666 6.522 ( -9.025 -10.223 -3.671) 14.122 6.803 ( -0.736 -3.276 -1.637) 3.735 6.943 ( 2.194 0.711 7.739) 8.075 7.089 ( 0.641 -1.162 -5.609) 5.764 7.281 ( -1.959 1.374 5.015) 5.557 7.492 ( 4.824 8.141 -4.495) 10.476 7.625 ( -4.741 -1.915 0.038) 5.113 7.808 ( -4.921 5.106 -6.393) 9.547 7.889 ( 4.316 4.702 9.372) 11.339 8.181 ( 11.309 -2.049 -9.936) 15.193 8.485 ( -1.418 -10.937 5.554) 12.348 8.871 ( 5.899 0.263 -11.936) 13.317 8.982 ( -0.380 1.404 -1.295) 1.948 9.092 ( 3.862 7.305 -4.605) 9.460 9.388 ( 4.553 5.374 2.124) 7.356 9.519 ( -3.300 4.035 3.822) 6.464 9.659 ( -1.902 4.249 0.511) 4.684 9.677 ( -9.760 1.469 -3.596) 10.504 9.850 ( 6.718 0.316 12.847) 14.501 10.164 ( -4.573 -2.855 5.698) 7.844 10.192 ( -2.523 -1.879 11.787) 12.199 11.077 ( -5.593 1.153 -2.840) 6.378 11.132 ( 4.229 0.987 9.221) 10.192 11.596 ( 2.827 -11.043 -1.641) 11.516 11.770 ( -2.109 -2.299 9.308) 9.817 12.335 ( -0.100 -0.483 -8.697) 8.711 12.434 ( 0.439 -0.180 -4.741) 4.765 12.693 ( -1.890 -3.820 7.593) 8.708 12.721 ( 2.217 -1.549 11.270) 11.590 15.409 ( -11.360 3.579 -18.803) 22.258 15.633 ( 3.319 10.780 16.644) 20.106 16.209 ( -5.813 0.798 -26.318) 26.964 16.449 ( 4.788 -4.177 1.373) 6.501 16.748 ( 3.814 -1.343 -4.460) 6.020 16.928 ( 0.283 2.024 2.631) 3.332 18.220 ( -8.322 -6.291 -18.900) 21.588 18.624 ( 8.051 4.546 34.106) 35.337 19.169 ( 24.364 4.031 -5.709) 25.346 19.491 ( -2.824 0.298 0.325) 2.858 19.922 ( -3.912 -1.610 1.466) 4.477 20.280 ( -10.693 13.192 18.525) 25.131 21.523 ( -19.781 -24.352 -27.846) 41.949 21.800 ( 13.082 -18.016 29.548) 36.997 22.750 ( 21.281 20.437 9.154) 30.893 23.024 ( -23.350 18.509 -6.656) 30.531 23.891 ( 15.039 -14.204 -9.025) 22.570 24.250 ( -12.931 -6.105 -1.033) 14.337 24.577 ( 2.602 4.263 -3.126) 5.892 24.653 ( -0.799 2.874 0.803) 3.089 ======================= Grid point 56 (48/96) ======================= q-point: (-0.31 -0.11 0.11) 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.58e-05 8.58e-05 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.049 ( -0.000 -29.696 -6.028) 30.301 1.382 ( -0.000 -3.048 -7.631) 8.218 1.630 ( 0.000 1.813 -0.276) 1.834 1.782 ( 0.000 4.512 -2.222) 5.029 1.954 ( -0.000 -1.073 -6.717) 6.802 2.111 ( -0.000 -10.726 -10.060) 14.705 2.301 ( -0.000 -0.014 -3.783) 3.783 2.528 ( -0.000 -2.043 1.838) 2.748 2.689 ( 0.000 -2.718 8.470) 8.895 2.984 ( 0.000 4.587 -4.791) 6.633 3.643 ( -0.000 -9.184 -3.233) 9.736 3.656 ( -0.000 -14.912 -32.771) 36.004 4.058 ( -0.000 -0.715 -14.361) 14.379 4.154 ( -0.000 0.092 -0.881) 0.886 4.234 ( 0.000 8.835 3.205) 9.399 4.646 ( 0.000 7.492 -9.448) 12.058 4.853 ( -0.000 1.694 -31.695) 31.741 5.117 ( -0.000 -1.567 -1.434) 2.124 5.346 ( -0.000 -9.336 -2.146) 9.580 5.533 ( 0.000 2.828 0.007) 2.828 6.207 ( -0.000 -1.320 -13.956) 14.018 6.246 ( 0.000 -3.735 11.464) 12.057 6.492 ( -0.000 -0.161 -13.506) 13.507 6.529 ( 0.000 8.644 5.966) 10.503 6.819 ( -0.000 -4.789 2.841) 5.568 6.893 ( -0.000 0.222 -11.166) 11.168 6.960 ( -0.000 -6.039 3.404) 6.933 7.253 ( 0.000 -2.740 6.566) 7.115 7.305 ( -0.000 -11.618 -4.128) 12.330 7.339 ( 0.000 6.139 -1.345) 6.285 7.734 ( -0.000 6.264 -14.364) 15.671 8.031 ( 0.000 5.915 4.988) 7.737 8.125 ( 0.000 4.644 -8.341) 9.547 8.414 ( -0.000 -1.289 -8.457) 8.555 8.579 ( -0.000 -8.262 -1.084) 8.333 8.690 ( 0.000 12.482 -17.669) 21.633 8.803 ( -0.000 -8.810 1.469) 8.931 9.203 ( 0.000 2.285 -1.140) 2.553 9.582 ( 0.000 5.367 -7.820) 9.484 9.737 ( 0.000 5.560 12.324) 13.520 9.856 ( 0.000 4.622 16.290) 16.933 9.930 ( 0.000 1.397 4.520) 4.731 10.118 ( -0.000 -0.483 0.631) 0.795 10.522 ( 0.000 -0.941 10.490) 10.532 10.789 ( -0.000 -7.970 9.119) 12.111 11.066 ( 0.000 -0.086 25.674) 25.674 11.351 ( 0.000 3.276 4.422) 5.504 11.810 ( 0.000 6.156 2.176) 6.529 12.380 ( -0.000 2.811 -12.653) 12.962 12.381 ( -0.000 -4.375 -3.415) 5.550 12.677 ( 0.000 -2.189 21.016) 21.130 12.683 ( -0.000 -5.824 3.359) 6.724 15.521 ( -0.000 -12.127 16.818) 20.734 16.051 ( 0.000 10.207 1.388) 10.301 16.486 ( -0.000 2.469 -23.237) 23.368 16.604 ( -0.000 -3.716 -22.457) 22.762 16.662 ( -0.000 -5.678 -13.197) 14.367 17.427 ( -0.000 -1.408 -17.862) 17.917 17.450 ( 0.000 5.859 17.170) 18.142 18.102 ( 0.000 1.908 34.523) 34.575 18.771 ( -0.000 6.371 -25.663) 26.442 19.454 ( 0.000 6.559 11.930) 13.614 20.094 ( 0.000 8.152 19.258) 20.912 20.224 ( 0.000 3.285 13.079) 13.485 21.152 ( -0.000 -34.580 18.105) 39.033 22.029 ( -0.000 -14.531 18.589) 23.595 22.552 ( 0.000 14.487 -4.738) 15.242 23.117 ( 0.000 24.912 -21.214) 32.721 24.211 ( -0.000 -6.629 -14.794) 16.211 24.297 ( -0.000 -15.728 -3.801) 16.181 24.648 ( 0.000 2.264 -0.021) 2.264 24.861 ( -0.000 3.509 -7.706) 8.467 ======================= Grid point 57 (49/96) ======================= q-point: (-0.46 -0.11 0.26) 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.58e-05 8.58e-05 Number of triplets: 246 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.395 ( 3.189 -11.106 -22.577) 25.362 1.498 ( 1.245 -1.362 -2.716) 3.284 1.621 ( -0.239 3.490 1.200) 3.698 1.743 ( -1.699 3.191 2.508) 4.400 1.993 ( -7.377 -2.606 -1.372) 7.943 2.274 ( -7.531 1.108 -1.040) 7.683 2.440 ( 0.551 0.022 -1.170) 1.293 2.457 ( -2.388 1.201 -20.936) 21.106 2.562 ( 4.257 -6.171 4.917) 8.966 3.113 ( 4.578 7.173 -4.046) 9.423 3.625 ( -2.264 -11.388 1.318) 11.685 4.059 ( 1.095 4.316 4.995) 6.692 4.178 ( -1.148 4.416 -5.799) 7.379 4.356 ( 4.799 -1.877 -7.873) 9.409 4.514 ( 3.797 -0.831 -21.676) 22.021 4.832 ( 0.503 9.296 -5.884) 11.014 5.065 ( -3.050 5.207 3.906) 7.189 5.204 ( -6.977 0.190 1.502) 7.140 5.514 ( -3.657 -1.757 -3.877) 5.612 5.647 ( 13.830 4.283 -18.003) 23.103 5.862 ( -8.109 2.196 9.401) 12.608 6.142 ( -10.511 -2.839 10.470) 15.105 6.451 ( -0.034 6.447 -4.950) 8.128 6.642 ( 0.209 -0.360 -2.626) 2.659 6.757 ( -1.338 -1.069 0.642) 1.829 6.958 ( 2.755 -4.464 -2.209) 5.692 7.111 ( -4.133 -3.373 -0.337) 5.345 7.253 ( 6.459 0.918 -7.377) 9.848 7.386 ( 7.413 0.720 -2.771) 7.946 7.709 ( 8.410 8.649 -4.314) 12.812 7.858 ( -0.548 5.781 -15.300) 16.365 7.977 ( -2.354 2.495 5.302) 6.315 8.306 ( -3.254 4.971 -8.467) 10.344 8.493 ( -9.406 15.433 -1.496) 18.135 8.646 ( 4.534 -10.988 0.473) 11.896 8.935 ( 7.757 -6.392 -7.680) 12.650 9.059 ( 5.307 1.128 -8.397) 9.997 9.202 ( 3.480 1.705 5.873) 7.037 9.319 ( -5.224 0.598 11.491) 12.637 9.604 ( 3.074 5.901 3.963) 7.744 9.762 ( -0.501 -2.700 1.510) 3.134 9.939 ( 0.295 -2.504 2.002) 3.220 10.072 ( -3.173 3.285 -4.320) 6.287 10.208 ( -8.236 -5.904 5.992) 11.772 10.701 ( 6.944 -7.452 3.986) 10.938 10.853 ( 17.658 -1.892 11.781) 21.312 11.343 ( -1.882 -5.247 -5.689) 7.965 11.798 ( 0.798 7.722 -0.138) 7.765 12.198 ( 2.102 -1.215 19.231) 19.384 12.528 ( -3.291 -4.533 -4.889) 7.435 12.622 ( 0.044 1.387 -5.649) 5.817 12.691 ( 3.679 -4.225 -7.873) 9.663 15.140 ( 0.344 -12.794 20.220) 23.930 15.750 ( 2.707 -0.398 24.353) 24.507 16.591 ( -19.766 -2.631 1.367) 19.987 16.842 ( -6.719 6.919 -5.108) 10.914 16.972 ( -0.671 7.059 -5.476) 8.959 17.060 ( -1.386 -3.898 -11.033) 11.783 17.697 ( 5.458 1.030 13.804) 14.879 18.233 ( 23.469 0.720 -25.160) 34.414 19.153 ( 6.530 18.499 16.681) 25.750 19.297 ( -8.436 2.105 -25.751) 27.180 19.891 ( -1.851 -14.227 -3.423) 14.750 20.115 ( 10.113 8.515 9.897) 16.514 20.848 ( 6.417 -23.512 15.545) 28.907 21.704 ( 4.034 -19.131 17.527) 26.258 22.529 ( -5.753 11.105 -2.455) 12.745 23.518 ( 1.311 21.024 -12.735) 24.615 24.204 ( -11.235 -12.347 -6.025) 17.748 24.554 ( 2.606 -2.206 -8.303) 8.978 24.606 ( -3.243 5.374 1.976) 6.581 24.895 ( -6.330 3.194 -2.829) 7.634 ======================= Grid point 58 (50/96) ======================= q-point: ( 0.40 -0.11 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.58e-05 8.58e-05 Number of triplets: 246 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.501 ( -1.227 6.300 1.121) 6.516 1.602 ( 2.260 0.730 -0.323) 2.397 1.662 ( 0.436 1.497 0.739) 1.726 1.763 ( 0.345 0.406 0.599) 0.801 2.056 ( -3.430 -4.060 -14.908) 15.827 2.159 ( -4.929 -2.530 -5.461) 7.780 2.378 ( -9.104 -0.420 -5.862) 10.836 2.771 ( 23.333 2.089 5.205) 23.997 2.903 ( 0.211 11.335 -15.219) 18.978 3.314 ( 13.441 0.979 0.497) 13.486 3.502 ( 1.005 -5.139 2.745) 5.913 3.857 ( -11.536 10.748 9.890) 18.612 4.096 ( -6.254 -2.940 -3.880) 7.925 4.512 ( -17.922 -3.372 18.149) 25.729 4.660 ( -0.215 4.055 -7.914) 8.895 4.709 ( -10.975 -0.668 5.093) 12.117 4.997 ( -1.498 -9.748 -12.583) 15.987 5.082 ( -1.631 6.083 -0.452) 6.315 5.384 ( -2.091 7.202 0.420) 7.511 5.872 ( 1.788 4.627 -10.701) 11.794 5.924 ( -5.567 -2.931 -2.569) 6.795 6.080 ( 5.938 13.646 2.734) 15.131 6.574 ( -6.126 10.702 -6.453) 13.918 6.626 ( -3.223 -5.392 0.705) 6.321 6.806 ( -3.238 -0.235 -4.634) 5.659 6.967 ( 1.800 -2.305 2.369) 3.764 7.127 ( 4.600 6.203 -6.580) 10.145 7.279 ( -6.782 7.045 11.062) 14.765 7.450 ( -2.455 4.505 -2.654) 5.777 7.787 ( -0.487 -3.319 6.948) 7.715 7.835 ( 1.824 10.561 -5.426) 12.013 8.085 ( 1.159 11.966 11.022) 16.310 8.299 ( -3.366 -3.536 -6.396) 8.047 8.471 ( -2.212 1.319 -9.012) 9.373 8.675 ( 4.531 -5.789 9.706) 12.176 8.888 ( -0.178 -1.963 9.504) 9.706 9.006 ( 0.887 -1.585 5.391) 5.689 9.222 ( 9.355 -6.851 4.620) 12.481 9.379 ( -2.380 -12.295 0.823) 12.550 9.654 ( 4.325 -3.174 -6.929) 8.763 9.757 ( 5.842 5.467 -0.375) 8.010 9.842 ( -9.216 -6.834 -7.628) 13.778 10.164 ( 4.021 -6.135 -6.490) 9.794 10.447 ( 10.223 11.997 -13.892) 21.010 10.826 ( 8.080 1.152 -4.538) 9.338 11.052 ( 7.304 -1.495 -1.361) 7.579 11.451 ( 0.954 -7.206 -4.469) 8.533 11.891 ( 4.881 2.137 -4.174) 6.769 11.960 ( 5.366 -2.442 10.342) 11.905 12.454 ( -2.867 -0.084 2.388) 3.732 12.855 ( 0.899 0.260 -14.119) 14.150 12.977 ( 2.057 -1.674 -13.331) 13.592 14.742 ( 2.453 -7.827 20.917) 22.468 15.250 ( 6.326 -4.575 32.391) 33.319 16.127 ( -5.641 -2.264 14.788) 15.988 16.692 ( -16.504 7.670 -5.795) 19.099 16.962 ( -4.118 7.288 2.591) 8.763 17.265 ( -6.104 -9.171 -10.431) 15.172 17.601 ( 7.016 5.271 6.838) 11.125 19.010 ( 19.982 12.301 10.015) 25.513 19.287 ( 13.669 -3.707 -17.604) 22.594 19.501 ( 1.420 -6.172 -14.390) 15.722 19.883 ( -7.572 -8.082 -9.885) 14.844 20.412 ( 9.253 9.858 -2.793) 13.806 20.750 ( -4.691 -0.154 -7.806) 9.109 21.497 ( 15.584 -30.998 19.577) 39.837 22.527 ( 4.669 3.863 -0.581) 6.087 23.638 ( -8.424 12.727 -6.194) 16.472 24.100 ( -8.206 -5.295 -2.531) 10.089 24.390 ( -11.061 11.942 5.985) 17.343 24.653 ( -3.289 -0.150 -1.312) 3.544 24.839 ( -5.980 -0.443 -5.516) 8.147 ======================= Grid point 59 (51/96) ======================= q-point: ( 0.26 -0.11 -0.46) 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.58e-05 8.58e-05 Number of triplets: 246 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.525 ( 0.600 4.607 -2.781) 5.415 1.648 ( 1.757 -0.404 0.309) 1.829 1.655 ( 0.816 0.175 1.611) 1.815 1.730 ( -0.688 -3.029 1.988) 3.688 2.041 ( -4.973 0.414 -3.450) 6.067 2.208 ( 0.251 -0.861 2.870) 3.007 2.455 ( -13.346 10.239 -8.566) 18.876 2.915 ( -1.920 1.211 -13.777) 13.962 3.140 ( -10.605 12.746 19.236) 25.396 3.200 ( 1.784 12.616 1.474) 12.826 3.464 ( 6.718 -3.760 9.160) 11.966 3.650 ( -19.831 4.280 3.973) 20.673 4.014 ( 4.304 -0.503 -3.389) 5.502 4.105 ( 14.343 -1.408 8.662) 16.815 4.281 ( -10.104 1.023 -7.474) 12.609 4.883 ( -10.206 8.448 -18.254) 22.555 5.044 ( -6.189 -9.385 -0.526) 11.255 5.114 ( -11.345 -7.945 -6.881) 15.466 5.547 ( 5.982 2.970 -3.260) 7.432 5.741 ( -14.266 -1.304 8.665) 16.742 5.810 ( 0.005 0.904 11.717) 11.752 5.928 ( -15.427 20.797 14.922) 29.887 6.332 ( -2.161 8.134 -11.668) 14.386 6.446 ( -2.186 -3.811 1.221) 4.560 6.779 ( -2.677 -12.749 0.655) 13.044 7.117 ( -12.446 -13.535 9.495) 20.694 7.286 ( 7.003 3.022 -7.748) 10.872 7.394 ( 8.774 3.894 -4.224) 10.487 7.449 ( 3.802 5.312 -3.012) 7.193 7.546 ( -3.331 5.239 -4.086) 7.433 7.840 ( -10.259 -2.624 -0.442) 10.599 7.931 ( -2.009 3.908 7.669) 8.839 8.186 ( -8.423 0.397 -0.831) 8.473 8.318 ( -0.964 -1.138 3.180) 3.513 8.683 ( 1.856 -3.270 10.462) 11.117 8.885 ( 0.455 5.319 -7.760) 9.419 9.093 ( 10.423 -1.792 -0.864) 10.611 9.284 ( 1.297 -8.563 5.717) 10.377 9.313 ( 9.079 -6.870 3.826) 12.011 9.535 ( -12.530 -6.513 1.182) 14.171 9.845 ( 5.750 3.224 1.306) 6.720 10.123 ( 9.141 -6.452 -7.551) 13.499 10.563 ( 10.611 2.719 -15.167) 18.709 10.795 ( -1.070 7.561 -8.262) 11.251 11.045 ( -2.154 -2.964 -1.553) 3.979 11.208 ( 12.940 14.575 -1.869) 19.580 11.605 ( 3.901 2.042 -7.735) 8.901 11.920 ( 7.129 -2.159 6.371) 9.802 12.124 ( 7.468 -7.783 -3.833) 11.447 12.382 ( -2.248 -0.822 -0.854) 2.541 13.128 ( -3.397 -1.411 -11.636) 12.204 13.339 ( 2.132 3.328 -19.202) 19.604 14.388 ( 5.872 2.803 22.956) 23.860 14.773 ( 9.236 -11.402 24.695) 28.725 15.804 ( -1.623 -0.414 10.061) 10.199 16.511 ( -14.051 3.157 -5.725) 15.497 16.761 ( -6.394 2.857 5.385) 8.834 17.232 ( -9.909 -8.219 -2.899) 13.197 17.681 ( 9.107 6.785 2.177) 11.563 19.176 ( 13.879 -4.320 4.660) 15.264 19.407 ( -0.059 2.421 1.338) 2.767 19.976 ( -10.207 3.504 -7.887) 13.366 20.198 ( 3.252 9.148 -1.663) 9.850 20.361 ( 12.388 1.696 -18.585) 22.400 21.081 ( -1.633 -0.928 -17.567) 17.667 21.515 ( 26.268 -30.632 18.310) 44.312 22.797 ( 19.417 -2.998 -2.782) 19.843 23.461 ( -14.785 8.821 1.694) 17.299 23.939 ( -14.641 14.013 -0.293) 20.269 24.078 ( -7.991 3.961 0.997) 8.974 24.536 ( -5.558 -6.793 2.818) 9.218 24.836 ( -6.002 -0.159 -3.999) 7.213 ======================= Grid point 60 (52/96) ======================= q-point: ( 0.11 -0.11 -0.31) 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.58e-05 8.58e-05 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.507 ( -9.100 -0.752 -0.000) 9.131 1.571 ( -7.806 4.337 -0.000) 8.930 1.662 ( 0.033 0.109 -0.000) 0.114 1.683 ( -1.704 -0.670 0.000) 1.831 1.978 ( -8.390 4.584 -0.000) 9.560 2.114 ( -4.469 -1.328 0.000) 4.662 2.352 ( -6.722 0.052 -0.000) 6.722 2.487 ( -16.156 6.698 -0.000) 17.489 2.796 ( -33.792 16.264 -0.000) 37.503 3.062 ( 3.988 -5.340 0.000) 6.665 3.409 ( -9.997 4.972 -0.000) 11.165 3.771 ( 11.403 9.025 -0.000) 14.543 3.845 ( 21.816 6.037 -0.000) 22.635 4.379 ( -13.867 -23.903 0.000) 27.634 4.466 ( -3.536 -0.141 -0.000) 3.539 4.625 ( -17.557 -3.945 -0.000) 17.994 4.957 ( -6.905 13.998 -0.000) 15.608 5.091 ( 4.437 0.213 0.000) 4.442 5.272 ( -9.193 4.029 -0.000) 10.037 5.295 ( -6.111 -12.997 0.000) 14.362 5.679 ( -9.323 1.551 -0.000) 9.451 5.963 ( 9.846 6.895 -0.000) 12.020 6.412 ( -12.973 -7.515 0.000) 14.993 6.431 ( -6.297 -11.501 0.000) 13.112 6.510 ( -0.250 -12.144 0.000) 12.146 6.830 ( -4.282 -12.251 0.000) 12.978 7.292 ( -4.648 4.505 -0.000) 6.473 7.487 ( -8.708 -2.898 0.000) 9.177 7.509 ( -11.547 5.018 -0.000) 12.590 7.659 ( 6.155 4.062 -0.000) 7.375 7.742 ( 0.722 -5.385 0.000) 5.434 7.909 ( 6.871 20.013 -0.000) 21.160 8.095 ( -6.260 -0.627 -0.000) 6.291 8.188 ( -1.627 -2.319 0.000) 2.832 8.627 ( 3.727 -1.729 0.000) 4.109 8.895 ( -8.783 0.555 -0.000) 8.801 9.176 ( -4.584 -9.507 0.000) 10.554 9.315 ( -2.055 -2.893 0.000) 3.549 9.328 ( 5.075 -2.902 0.000) 5.846 9.472 ( 11.642 -2.687 0.000) 11.948 9.994 ( 11.821 5.536 -0.000) 13.053 10.399 ( 11.702 -8.672 0.000) 14.565 10.626 ( -19.068 -0.202 -0.000) 19.069 10.956 ( 3.548 11.069 -0.000) 11.624 11.153 ( 17.049 1.035 0.000) 17.081 11.407 ( 5.628 21.422 -0.000) 22.149 11.830 ( -2.704 -3.428 0.000) 4.366 11.932 ( 9.625 8.926 -0.000) 13.127 12.283 ( 4.277 -2.223 0.000) 4.820 12.387 ( -0.154 -5.538 0.000) 5.540 13.146 ( -6.232 -3.963 0.000) 7.385 13.678 ( -0.187 0.839 -0.000) 0.860 14.157 ( 9.469 12.143 -0.000) 15.399 14.724 ( 10.554 -9.853 0.000) 14.439 15.668 ( -1.300 -0.031 -0.000) 1.301 16.377 ( -6.433 -3.605 0.000) 7.374 16.545 ( -9.226 -0.935 -0.000) 9.273 17.056 ( -10.282 -8.289 0.000) 13.207 17.824 ( 8.004 6.513 -0.000) 10.319 19.010 ( -31.102 1.915 -0.000) 31.161 19.375 ( 6.942 -6.127 0.000) 9.259 20.161 ( 25.573 18.429 -0.000) 31.521 20.274 ( 2.770 1.422 -0.000) 3.114 20.873 ( 9.265 -0.097 0.000) 9.266 21.219 ( -2.635 0.870 -0.000) 2.775 21.885 ( 33.223 -27.075 0.000) 42.858 23.033 ( -16.279 14.640 -0.000) 21.894 23.338 ( 21.673 -3.004 0.000) 21.880 23.659 ( -15.064 19.679 -0.000) 24.782 23.924 ( -8.477 -1.810 -0.000) 8.668 24.390 ( -5.497 -11.109 0.000) 12.395 24.765 ( -5.112 -2.547 0.000) 5.711 ======================= Grid point 63 (53/96) ======================= q-point: ( 0.27 -0.13 0.13) 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.58e-05 8.58e-05 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.126 ( 0.000 15.714 19.259) 24.856 1.167 ( 0.000 10.084 6.668) 12.089 1.596 ( -0.000 -0.542 -0.139) 0.560 1.880 ( 0.000 2.610 -2.448) 3.578 2.011 ( 0.000 11.379 3.007) 11.770 2.193 ( 0.000 6.542 0.880) 6.601 2.290 ( 0.000 11.251 10.321) 15.268 2.320 ( 0.000 2.781 0.512) 2.827 3.074 ( 0.000 27.667 -1.738) 27.721 3.107 ( 0.000 16.491 -5.614) 17.420 3.399 ( 0.000 10.216 -11.683) 15.519 3.420 ( 0.000 20.231 12.449) 23.755 4.003 ( -0.000 2.259 -9.172) 9.446 4.195 ( 0.000 0.002 13.108) 13.108 4.375 ( 0.000 15.343 -6.883) 16.816 4.541 ( 0.000 16.318 -10.985) 19.671 4.786 ( 0.000 8.282 -14.304) 16.529 5.137 ( -0.000 -8.759 4.030) 9.641 5.481 ( 0.000 16.934 -2.351) 17.096 5.593 ( 0.000 -1.380 6.831) 6.969 5.702 ( 0.000 3.860 0.399) 3.880 6.154 ( 0.000 0.485 9.604) 9.616 6.178 ( 0.000 16.804 6.098) 17.876 6.322 ( 0.000 -1.275 4.441) 4.621 6.655 ( 0.000 11.730 13.351) 17.772 6.728 ( -0.000 -13.621 22.247) 26.086 6.978 ( -0.000 -0.185 -5.688) 5.691 7.245 ( 0.000 11.190 4.821) 12.184 7.466 ( 0.000 9.229 -10.450) 13.942 7.512 ( 0.000 4.230 3.182) 5.293 7.605 ( -0.000 1.728 -4.203) 4.545 7.786 ( -0.000 0.397 -13.582) 13.588 7.909 ( 0.000 -3.150 9.444) 9.956 8.118 ( -0.000 1.218 -5.544) 5.676 8.526 ( 0.000 5.396 -2.644) 6.009 8.534 ( 0.000 4.002 9.098) 9.940 8.847 ( 0.000 -0.579 11.154) 11.169 9.244 ( -0.000 -7.349 -6.121) 9.564 9.558 ( 0.000 0.231 5.255) 5.261 9.705 ( -0.000 0.279 -12.901) 12.904 9.971 ( -0.000 -9.069 -1.832) 9.252 10.159 ( -0.000 -1.099 0.467) 1.194 10.447 ( -0.000 -23.617 3.077) 23.816 10.777 ( -0.000 3.308 -16.237) 16.570 11.186 ( -0.000 -3.016 -2.810) 4.122 11.573 ( -0.000 -4.616 -9.796) 10.829 11.609 ( -0.000 -10.396 -11.636) 15.603 11.914 ( -0.000 -7.454 5.381) 9.194 11.946 ( -0.000 -2.635 -0.383) 2.663 12.440 ( -0.000 0.983 -2.126) 2.342 13.117 ( 0.000 11.318 -12.348) 16.750 13.399 ( -0.000 -5.677 -15.651) 16.649 14.742 ( 0.000 -13.227 26.472) 29.592 14.903 ( -0.000 -22.224 27.989) 35.739 15.891 ( 0.000 0.211 11.257) 11.259 16.420 ( 0.000 19.349 1.504) 19.407 16.945 ( 0.000 17.120 -0.455) 17.126 17.148 ( 0.000 6.280 2.548) 6.777 17.573 ( -0.000 -9.743 -2.296) 10.010 18.018 ( -0.000 -7.158 6.375) 9.585 19.679 ( -0.000 0.556 -2.458) 2.520 19.879 ( -0.000 -1.567 -38.653) 38.685 20.558 ( -0.000 -15.429 -11.488) 19.237 21.097 ( -0.000 -0.110 -23.959) 23.959 21.441 ( -0.000 -34.263 13.822) 36.946 21.713 ( -0.000 -18.197 16.984) 24.891 22.147 ( 0.000 2.695 -2.187) 3.471 23.394 ( 0.000 20.327 -20.349) 28.763 24.023 ( 0.000 15.879 7.145) 17.413 24.340 ( 0.000 -0.857 12.839) 12.867 24.375 ( 0.000 13.169 1.492) 13.254 24.789 ( 0.000 10.342 -3.068) 10.787 ======================= Grid point 64 (54/96) ======================= q-point: ( 0.13 -0.13 0.27) 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.58e-05 8.58e-05 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.002 ( 15.182 17.033 -0.000) 22.817 1.088 ( 3.303 12.839 -0.000) 13.257 1.611 ( 1.318 -0.653 0.000) 1.470 1.818 ( -6.055 0.489 -0.000) 6.075 1.982 ( -10.956 28.267 -0.000) 30.316 1.991 ( 1.785 3.555 -0.000) 3.978 2.295 ( 4.824 8.671 -0.000) 9.923 2.307 ( -0.314 0.256 -0.000) 0.405 2.665 ( -16.117 22.498 -0.000) 27.675 3.204 ( -0.890 -0.020 -0.000) 0.890 3.635 ( -16.626 -0.336 -0.000) 16.629 3.737 ( -1.792 24.701 -0.000) 24.766 3.807 ( 29.774 29.939 -0.000) 42.223 4.167 ( 0.851 -9.712 0.000) 9.749 4.323 ( -0.977 16.668 -0.000) 16.697 4.870 ( -16.007 4.116 -0.000) 16.528 4.996 ( 15.998 22.573 -0.000) 27.667 5.217 ( 4.535 -3.937 0.000) 6.006 5.261 ( 2.724 -8.861 0.000) 9.270 5.479 ( -21.770 5.070 -0.000) 22.352 5.621 ( 2.978 16.516 -0.000) 16.782 5.849 ( -9.673 11.245 -0.000) 14.833 6.221 ( -1.583 -13.909 0.000) 13.999 6.268 ( 8.256 7.967 -0.000) 11.474 6.552 ( 16.820 -3.933 0.000) 17.274 6.683 ( 12.698 16.903 -0.000) 21.141 7.083 ( 2.431 -1.781 0.000) 3.014 7.246 ( 4.976 -3.325 0.000) 5.985 7.432 ( -13.503 15.202 -0.000) 20.333 7.583 ( 5.867 -1.299 0.000) 6.009 7.746 ( 5.761 -1.577 0.000) 5.973 7.815 ( -2.005 3.271 -0.000) 3.837 8.003 ( 3.266 3.647 -0.000) 4.896 8.337 ( 8.369 -1.719 0.000) 8.544 8.473 ( 6.922 -1.253 0.000) 7.035 8.603 ( -4.877 7.711 -0.000) 9.124 8.768 ( 13.992 0.701 0.000) 14.009 9.365 ( 6.971 -14.499 0.000) 16.088 9.508 ( -1.704 3.007 -0.000) 3.456 9.888 ( -8.212 -0.806 -0.000) 8.252 10.036 ( 9.492 1.531 0.000) 9.615 10.114 ( 0.996 -13.101 0.000) 13.138 10.466 ( 9.088 -16.969 0.000) 19.249 10.941 ( -1.165 -1.749 0.000) 2.101 11.098 ( -10.269 -8.037 0.000) 13.041 11.657 ( -9.999 -4.247 0.000) 10.864 11.736 ( 2.574 0.213 0.000) 2.583 11.880 ( 0.789 -11.199 0.000) 11.226 11.981 ( 8.685 -6.843 0.000) 11.057 12.470 ( -0.410 -0.220 0.000) 0.466 13.285 ( -1.214 13.934 -0.000) 13.987 13.616 ( 0.894 -3.849 0.000) 3.951 14.262 ( -9.724 -14.938 0.000) 17.824 14.678 ( 8.409 -16.555 0.000) 18.568 15.751 ( -2.389 0.679 -0.000) 2.484 16.426 ( 3.080 15.557 -0.000) 15.859 16.845 ( -15.210 12.110 -0.000) 19.442 17.017 ( 0.467 12.451 -0.000) 12.460 17.774 ( 11.760 -7.957 0.000) 14.199 17.967 ( 5.023 -4.361 0.000) 6.652 19.643 ( -3.804 0.759 -0.000) 3.879 20.340 ( -2.512 -2.561 0.000) 3.587 20.743 ( 3.660 -13.683 0.000) 14.164 20.965 ( -23.190 -19.860 0.000) 30.532 21.330 ( -2.693 1.471 -0.000) 3.069 21.736 ( 17.741 -27.287 0.000) 32.548 22.411 ( 20.885 -17.359 0.000) 27.157 23.513 ( -17.688 21.637 -0.000) 27.947 23.889 ( 1.127 13.530 -0.000) 13.577 24.090 ( -8.944 1.846 -0.000) 9.132 24.426 ( 3.805 10.281 -0.000) 10.962 24.819 ( -0.580 10.383 -0.000) 10.399 ======================= Grid point 66 (55/96) ======================= q-point: (-0.16 -0.13 0.56) 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.58e-05 8.58e-05 Number of triplets: 245 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.332 ( 0.901 -2.835 3.144) 4.328 1.573 ( 5.912 1.446 13.139) 14.480 1.649 ( 1.766 1.384 1.390) 2.639 1.666 ( 0.583 -0.346 0.045) 0.679 1.802 ( -0.729 3.256 -3.272) 4.673 2.106 ( -3.128 -2.901 -0.470) 4.292 2.229 ( -0.507 1.518 2.680) 3.122 2.736 ( 3.643 3.200 14.144) 14.952 3.107 ( 21.160 5.845 -18.974) 29.016 3.451 ( 0.949 -3.172 -12.549) 12.978 3.553 ( -2.219 -2.968 -20.819) 21.146 3.749 ( 9.738 7.494 -0.285) 12.291 4.051 ( 5.618 1.923 -18.414) 19.347 4.306 ( 0.953 -2.718 4.303) 5.178 4.420 ( -12.080 -4.874 -15.760) 20.446 4.588 ( -22.097 1.169 1.169) 22.159 4.972 ( 13.232 13.567 12.386) 22.640 5.202 ( -0.532 3.835 -5.277) 6.545 5.353 ( 4.454 -5.928 -2.996) 7.997 5.537 ( 6.720 4.233 1.629) 8.107 5.617 ( 12.455 -0.304 8.147) 14.886 5.955 ( -14.057 -5.610 7.965) 17.103 6.242 ( 2.902 2.758 -10.672) 11.398 6.310 ( -4.791 -2.989 5.552) 7.920 6.817 ( 0.665 -1.013 8.814) 8.897 7.046 ( -3.233 -1.813 3.768) 5.285 7.147 ( 11.173 4.813 3.214) 12.583 7.383 ( 0.254 -2.178 -1.391) 2.597 7.562 ( 3.760 5.033 -3.893) 7.391 7.621 ( 1.216 0.863 5.410) 5.612 7.695 ( -5.605 -1.333 -8.402) 10.187 7.984 ( 7.789 -0.998 -3.352) 8.539 8.095 ( -3.302 5.087 -2.836) 6.694 8.467 ( 2.018 -4.513 11.417) 12.441 8.616 ( 7.965 8.384 -18.540) 21.851 9.036 ( -0.880 2.956 -6.149) 6.879 9.141 ( 2.457 -1.025 3.022) 4.028 9.373 ( 5.511 1.643 -5.276) 7.804 9.562 ( -1.518 3.900 -1.142) 4.338 9.706 ( -0.656 5.542 -4.082) 6.914 9.919 ( 1.735 -1.553 1.344) 2.689 10.042 ( -4.918 2.095 21.787) 22.433 10.167 ( -8.080 -13.838 11.169) 19.532 10.476 ( 3.357 -0.277 12.604) 13.046 11.076 ( -4.207 0.765 -0.341) 4.289 11.205 ( 0.627 -14.770 -3.518) 15.196 11.318 ( -2.620 0.410 8.007) 8.435 12.043 ( 1.893 -0.365 12.822) 12.967 12.250 ( 4.623 -4.410 -1.397) 6.540 12.257 ( -5.033 3.851 -5.790) 8.584 12.889 ( -0.954 0.249 14.840) 14.872 12.957 ( -0.363 -1.720 13.172) 13.289 14.967 ( -4.681 -2.363 -26.179) 26.699 15.611 ( -2.826 0.322 -29.511) 29.647 16.088 ( 0.849 -1.779 -14.543) 14.676 16.177 ( -0.864 8.747 8.691) 12.361 16.701 ( 1.886 -2.168 0.163) 2.878 17.226 ( 5.767 13.024 5.880) 15.410 17.752 ( -6.485 -11.957 -9.014) 16.319 19.148 ( 28.007 6.117 -3.386) 28.866 19.469 ( 1.504 4.700 13.395) 14.275 19.589 ( 4.873 6.562 20.536) 22.103 19.966 ( -9.405 -5.339 11.463) 15.759 20.443 ( -23.675 -23.519 -22.736) 40.380 20.832 ( -2.801 1.623 15.283) 15.622 22.250 ( 3.161 -1.259 27.339) 27.550 22.996 ( -5.943 12.012 -9.666) 16.524 23.254 ( 21.835 -18.294 -9.619) 30.066 23.415 ( -10.153 12.230 -0.735) 15.912 24.137 ( -6.602 -1.490 -4.076) 7.901 24.574 ( 1.181 1.656 -0.667) 2.141 24.750 ( 1.155 3.425 1.713) 4.000 ======================= Grid point 67 (56/96) ======================= q-point: (-0.30 -0.13 -0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.58e-05 8.58e-05 Number of triplets: 245 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.316 ( 1.730 -3.092 -1.182) 3.735 1.448 ( 5.443 -6.074 6.951) 10.716 1.650 ( -2.280 0.765 0.395) 2.437 1.663 ( -1.106 -1.090 0.176) 1.563 1.964 ( 4.396 0.791 -5.820) 7.337 2.108 ( 0.950 1.770 -1.289) 2.387 2.137 ( -0.717 0.037 6.496) 6.535 2.320 ( 2.877 -3.315 18.030) 18.556 3.464 ( -22.936 2.091 -10.156) 25.172 3.685 ( -25.174 -3.545 4.229) 25.772 3.853 ( 12.285 11.477 -16.060) 23.250 4.046 ( 2.563 3.340 -24.568) 24.927 4.192 ( 0.294 3.753 0.859) 3.861 4.246 ( 5.327 4.333 -3.143) 7.552 4.537 ( 4.416 0.855 9.497) 10.508 4.644 ( 10.124 -3.972 3.354) 11.381 4.938 ( -0.813 -4.249 -5.369) 6.895 5.084 ( -10.603 2.922 13.775) 17.627 5.347 ( 5.517 -0.193 -6.230) 8.324 5.418 ( 3.333 -0.303 11.470) 11.949 5.758 ( 2.313 -3.540 -13.521) 14.167 6.093 ( -7.137 -6.548 8.903) 13.156 6.177 ( 13.278 -12.557 -12.343) 22.053 6.351 ( 2.051 -0.431 8.763) 9.010 6.687 ( 1.801 -1.819 -2.172) 3.357 6.886 ( 3.086 -2.605 11.191) 11.898 7.173 ( -1.671 -0.446 -4.163) 4.508 7.326 ( -4.979 3.814 9.913) 11.730 7.514 ( -1.316 1.259 -5.571) 5.861 7.653 ( 0.046 -2.172 3.624) 4.225 7.874 ( 5.053 3.033 -7.415) 9.472 8.022 ( 4.007 -1.321 4.071) 5.863 8.185 ( -2.705 -3.222 -4.090) 5.867 8.284 ( -6.535 -1.318 3.908) 7.728 8.982 ( 0.669 3.153 -4.713) 5.710 9.079 ( 2.420 1.020 0.666) 2.710 9.165 ( -1.599 -2.203 -5.769) 6.379 9.338 ( -3.827 1.600 16.324) 16.843 9.599 ( -4.993 1.982 -14.100) 15.089 9.739 ( -1.651 5.220 0.747) 5.525 9.747 ( 0.067 9.441 2.577) 9.786 9.893 ( -2.355 -2.038 -0.780) 3.210 9.970 ( 1.889 -3.542 2.566) 4.764 10.195 ( 0.907 -0.584 12.418) 12.464 11.042 ( -3.046 5.451 -4.252) 7.555 11.151 ( -3.158 -0.986 1.190) 3.516 11.404 ( 1.959 -6.296 -8.839) 11.027 11.697 ( -2.082 -2.348 16.609) 16.903 12.310 ( -2.360 1.042 -10.529) 10.840 12.474 ( 2.882 0.930 -7.426) 8.019 12.572 ( -1.027 -2.762 11.654) 12.021 12.726 ( 1.722 -1.654 11.992) 12.227 15.402 ( -1.203 6.700 -22.640) 23.642 15.835 ( 0.009 3.983 9.857) 10.632 16.198 ( 3.764 0.179 -16.213) 16.645 16.479 ( 1.296 2.536 -6.693) 7.274 16.691 ( 3.785 -10.662 -2.938) 11.690 17.007 ( 1.649 2.075 19.633) 19.811 18.035 ( -5.211 1.389 -26.861) 27.397 18.774 ( -1.939 -2.155 38.568) 38.677 19.350 ( -5.024 -1.614 -1.090) 5.389 19.377 ( -5.992 1.366 4.454) 7.590 20.110 ( 0.529 6.857 -13.326) 14.996 20.372 ( -7.595 7.528 17.849) 20.807 20.810 ( 1.831 -4.181 -34.041) 34.346 21.724 ( 12.151 -16.791 32.635) 38.661 22.939 ( -21.020 24.034 -12.670) 34.351 23.347 ( 0.135 -2.785 2.771) 3.931 23.865 ( 14.378 -10.238 -8.442) 19.566 24.015 ( 6.809 -4.136 9.167) 12.145 24.634 ( 0.029 0.955 -3.843) 3.960 24.727 ( 1.272 1.027 3.473) 3.839 ======================= Grid point 68 (57/96) ======================= q-point: ( 0.56 -0.13 -0.16) 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.58e-05 8.58e-05 Number of triplets: 245 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.406 ( 3.749 -0.481 7.190) 8.123 1.430 ( 3.686 6.116 -1.865) 7.380 1.581 ( -0.700 1.081 -0.579) 1.412 1.627 ( -2.429 -1.540 -0.827) 2.992 1.905 ( 3.294 7.801 3.519) 9.170 2.137 ( 1.069 -3.846 -1.867) 4.407 2.243 ( 6.062 5.201 -1.125) 8.066 2.410 ( 4.575 -3.553 -10.908) 12.351 3.015 ( -19.867 1.871 10.001) 22.321 3.156 ( -20.124 0.666 -2.825) 20.332 3.944 ( -2.868 9.783 17.025) 19.844 4.042 ( -4.875 1.233 18.995) 19.649 4.190 ( -4.911 4.436 13.215) 14.779 4.349 ( -5.768 11.947 -13.902) 19.216 4.493 ( 4.410 -5.093 -0.979) 6.808 4.582 ( -13.884 0.161 -14.730) 20.243 4.937 ( 14.322 -3.893 2.435) 15.040 5.054 ( 2.720 -2.423 1.313) 3.872 5.384 ( -0.547 6.327 6.531) 9.109 5.516 ( -1.138 -0.459 8.550) 8.638 5.784 ( 5.038 0.901 10.687) 11.849 5.988 ( 5.157 -4.306 -9.369) 11.529 6.281 ( 10.084 4.200 -1.443) 11.018 6.488 ( 5.816 -6.409 0.280) 8.659 6.781 ( 3.214 -0.275 4.716) 5.713 6.992 ( 4.790 0.756 -10.110) 11.213 7.104 ( 4.229 -1.305 8.045) 9.182 7.230 ( -4.878 2.299 -4.380) 6.948 7.500 ( -6.261 -3.281 1.587) 7.245 7.502 ( -10.352 0.902 -1.508) 10.500 7.895 ( -7.730 5.201 8.506) 12.616 7.982 ( 1.803 3.008 7.288) 8.088 8.126 ( 1.890 1.247 -4.733) 5.247 8.222 ( -4.361 -7.704 -4.679) 10.014 8.832 ( -7.101 9.684 12.247) 17.152 9.005 ( -5.124 6.071 7.087) 10.646 9.098 ( -2.365 0.177 -2.103) 3.170 9.401 ( 0.584 -4.077 -11.489) 12.205 9.463 ( -9.080 -2.206 9.704) 13.472 9.662 ( -6.325 -0.899 -7.143) 9.583 9.799 ( 0.099 1.235 -1.234) 1.749 9.862 ( 4.584 2.224 -5.811) 7.728 10.140 ( 3.553 -6.130 -2.831) 7.629 10.230 ( 3.409 -1.316 -12.222) 12.756 11.015 ( -7.621 -0.554 0.232) 7.645 11.172 ( 1.808 -5.028 -4.910) 7.257 11.376 ( -1.579 2.456 1.945) 3.508 11.683 ( -1.476 -7.500 -11.683) 13.962 12.312 ( -0.424 -1.956 10.662) 10.848 12.471 ( 0.871 3.801 3.139) 5.006 12.642 ( 2.651 -3.802 -10.182) 11.188 12.725 ( 1.331 1.637 -9.674) 9.901 15.570 ( 6.134 -3.722 18.286) 19.643 15.829 ( -0.411 1.295 -11.006) 11.089 16.266 ( 7.471 4.413 16.344) 18.505 16.555 ( 4.243 9.181 5.374) 11.453 16.618 ( 1.921 -6.289 9.466) 11.526 17.025 ( 2.560 3.986 -11.403) 12.348 18.059 ( -7.040 -10.788 18.366) 22.433 18.482 ( -15.776 3.628 -28.344) 32.640 18.943 ( -15.491 11.886 9.746) 21.823 19.421 ( -3.185 -6.695 -12.213) 14.287 19.981 ( 0.840 3.071 3.066) 4.420 20.395 ( -7.619 -9.716 -18.019) 21.844 21.466 ( 20.444 -18.062 18.952) 33.217 21.610 ( 7.961 8.666 -23.135) 25.955 22.818 ( -15.383 23.688 -11.664) 30.558 23.054 ( -15.618 -24.020 10.772) 30.609 23.945 ( 17.558 15.180 12.186) 26.215 24.354 ( 12.826 -8.616 -3.924) 15.942 24.628 ( -0.591 3.720 5.056) 6.305 24.712 ( 0.610 1.577 -0.685) 1.825 ======================= Grid point 70 (58/96) ======================= q-point: (-0.14 -0.14 0.14) 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.58e-05 8.58e-05 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.505 ( -0.000 -0.000 -2.973) 2.973 1.065 ( -0.000 -0.000 -18.266) 18.266 1.631 ( -0.000 -0.000 -0.973) 0.973 1.682 ( -0.000 -0.000 -5.108) 5.108 1.760 ( -0.000 -0.000 -12.057) 12.057 1.939 ( 0.000 0.000 3.004) 3.004 2.224 ( -0.000 -0.000 -4.815) 4.815 2.531 ( 0.000 0.000 2.107) 2.107 2.678 ( -0.000 -0.000 -32.747) 32.747 2.724 ( -0.000 -0.000 -13.032) 13.032 2.946 ( -0.000 -0.000 -1.785) 1.785 3.515 ( -0.000 -0.000 -2.660) 2.660 3.527 ( -0.000 -0.000 -24.067) 24.067 4.263 ( 0.000 0.000 13.170) 13.170 4.312 ( -0.000 -0.000 -10.755) 10.755 4.431 ( -0.000 -0.000 -14.943) 14.943 4.519 ( 0.000 0.000 0.527) 0.527 4.912 ( -0.000 -0.000 -19.244) 19.244 5.004 ( -0.000 -0.000 -4.499) 4.499 5.629 ( 0.000 0.000 1.788) 1.788 5.844 ( -0.000 -0.000 -13.656) 13.656 6.145 ( -0.000 -0.000 -15.459) 15.459 6.371 ( -0.000 -0.000 -2.410) 2.410 6.701 ( -0.000 -0.000 -2.993) 2.993 6.702 ( -0.000 -0.000 -4.934) 4.934 6.750 ( -0.000 -0.000 -2.376) 2.376 6.775 ( -0.000 -0.000 -13.194) 13.194 7.118 ( 0.000 0.000 2.443) 2.443 7.390 ( 0.000 0.000 1.205) 1.205 7.498 ( 0.000 0.000 12.676) 12.676 7.652 ( -0.000 -0.000 -0.523) 0.523 8.036 ( -0.000 -0.000 -2.251) 2.251 8.131 ( -0.000 -0.000 -16.970) 16.970 8.243 ( 0.000 0.000 6.839) 6.839 8.499 ( -0.000 -0.000 -0.456) 0.456 8.550 ( -0.000 -0.000 -9.837) 9.837 8.913 ( 0.000 0.000 16.287) 16.287 9.074 ( -0.000 -0.000 -9.808) 9.808 9.514 ( -0.000 -0.000 -3.185) 3.185 9.908 ( -0.000 -0.000 -2.432) 2.432 10.120 ( 0.000 0.000 0.318) 0.318 10.201 ( 0.000 0.000 20.927) 20.927 10.302 ( 0.000 0.000 15.348) 15.348 10.711 ( 0.000 0.000 12.281) 12.281 10.849 ( 0.000 0.000 3.866) 3.866 11.570 ( 0.000 0.000 19.214) 19.214 11.620 ( 0.000 0.000 11.856) 11.856 11.889 ( 0.000 0.000 0.893) 0.893 12.184 ( -0.000 -0.000 -10.061) 10.061 12.314 ( 0.000 0.000 3.229) 3.229 12.646 ( 0.000 0.000 1.868) 1.868 13.129 ( 0.000 0.000 21.729) 21.729 15.702 ( 0.000 0.000 12.547) 12.547 15.789 ( -0.000 -0.000 -40.167) 40.167 16.098 ( -0.000 -0.000 -18.041) 18.041 16.120 ( -0.000 -0.000 -13.934) 13.934 16.514 ( 0.000 0.000 5.751) 5.751 17.157 ( -0.000 -0.000 -8.534) 8.534 17.721 ( 0.000 0.000 5.877) 5.877 18.436 ( -0.000 -0.000 -15.223) 15.223 18.980 ( 0.000 0.000 46.088) 46.088 19.563 ( 0.000 0.000 1.686) 1.686 20.623 ( 0.000 0.000 18.070) 18.070 20.798 ( 0.000 0.000 20.263) 20.263 20.997 ( 0.000 0.000 15.567) 15.567 22.301 ( 0.000 0.000 22.200) 22.200 22.582 ( -0.000 -0.000 -8.463) 8.463 22.921 ( -0.000 -0.000 -26.562) 26.562 23.801 ( -0.000 -0.000 -14.724) 14.724 24.007 ( -0.000 -0.000 -4.675) 4.675 24.629 ( -0.000 -0.000 -2.824) 2.824 24.663 ( -0.000 -0.000 -13.999) 13.999 ======================= Grid point 71 (59/96) ======================= q-point: (-0.29 -0.14 0.29) 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.58e-05 8.58e-05 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.816 ( 15.393 0.000 -9.950) 18.329 1.399 ( 5.509 0.000 -6.276) 8.351 1.650 ( 0.288 0.000 -0.384) 0.480 1.855 ( -6.248 -0.000 -16.854) 17.975 1.860 ( -0.929 -0.000 3.736) 3.849 1.987 ( -1.194 -0.000 -9.730) 9.803 2.251 ( -4.455 -0.000 -2.485) 5.101 2.491 ( -1.546 -0.000 0.833) 1.756 2.629 ( 3.223 0.000 7.920) 8.551 3.053 ( 3.166 0.000 -5.819) 6.625 3.535 ( 0.244 0.000 3.126) 3.136 3.633 ( 12.429 0.000 -34.465) 36.638 4.059 ( -6.229 -0.000 -3.748) 7.270 4.112 ( 3.578 -0.000 -20.791) 21.097 4.446 ( 8.271 0.000 5.648) 10.015 4.725 ( -0.126 -0.000 -16.205) 16.206 4.935 ( 1.286 -0.000 -18.231) 18.276 5.193 ( -2.410 -0.000 -1.101) 2.649 5.285 ( 18.613 0.000 -13.003) 22.705 5.502 ( -6.996 -0.000 2.555) 7.448 6.008 ( -14.854 -0.000 2.733) 15.104 6.233 ( 3.062 -0.000 -19.970) 20.203 6.363 ( -11.830 -0.000 -6.208) 13.360 6.565 ( -5.400 -0.000 7.833) 9.514 6.769 ( 1.715 0.000 -6.590) 6.809 6.871 ( -1.264 -0.000 2.646) 2.933 7.012 ( 6.231 0.000 -1.274) 6.359 7.318 ( 13.893 0.000 -2.688) 14.151 7.330 ( 7.431 0.000 9.481) 12.046 7.524 ( 10.855 0.000 -9.518) 14.437 7.723 ( -7.297 -0.000 -12.779) 14.716 8.020 ( -11.461 -0.000 -11.483) 16.224 8.079 ( -3.796 -0.000 6.183) 7.255 8.490 ( 11.389 0.000 -7.295) 13.525 8.627 ( 9.722 0.000 -3.208) 10.237 8.709 ( 0.454 0.000 4.118) 4.143 8.885 ( 2.077 -0.000 -15.932) 16.067 9.255 ( 2.255 0.000 -1.542) 2.732 9.537 ( -6.988 -0.000 -9.078) 11.456 9.630 ( -7.080 -0.000 12.229) 14.131 9.828 ( -1.224 0.000 13.568) 13.623 10.069 ( -5.368 -0.000 -0.958) 5.453 10.328 ( 8.157 0.000 12.532) 14.952 10.344 ( -1.974 0.000 20.324) 20.419 10.729 ( 5.909 0.000 7.354) 9.434 11.250 ( 14.701 0.000 22.383) 26.779 11.331 ( -6.285 -0.000 6.446) 9.003 11.877 ( 0.233 0.000 1.285) 1.306 12.334 ( -0.166 -0.000 -5.841) 5.844 12.423 ( 0.405 -0.000 -10.880) 10.888 12.631 ( 2.625 0.000 2.421) 3.571 12.671 ( 1.833 0.000 22.859) 22.932 15.386 ( 0.714 0.000 17.824) 17.839 16.110 ( -8.804 -0.000 3.558) 9.496 16.439 ( -10.286 -0.000 -2.784) 10.656 16.450 ( -5.424 -0.000 -27.588) 28.116 16.617 ( 2.852 -0.000 -27.560) 27.708 17.084 ( -12.967 -0.000 -6.219) 14.381 17.962 ( 27.589 0.000 -1.707) 27.641 18.225 ( 8.521 0.000 35.865) 36.863 18.761 ( -8.122 -0.000 -23.605) 24.964 19.527 ( 0.462 0.000 0.894) 1.007 20.024 ( -6.690 -0.000 25.372) 26.239 20.596 ( -5.331 -0.000 15.289) 16.191 20.902 ( 39.063 0.000 22.421) 45.040 21.883 ( 1.049 0.000 20.640) 20.667 22.547 ( -14.729 -0.000 -10.271) 17.956 23.525 ( 10.087 0.000 -15.424) 18.429 23.816 ( -19.186 -0.000 -11.425) 22.330 24.298 ( 7.051 0.000 -9.929) 12.178 24.663 ( -0.885 -0.000 -0.925) 1.280 24.817 ( -7.826 -0.000 -8.210) 11.343 ======================= Grid point 72 (60/96) ======================= q-point: (-0.43 -0.14 0.43) 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.58e-05 8.58e-05 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.405 ( 6.430 0.000 -23.075) 23.954 1.549 ( 4.119 0.000 -0.723) 4.182 1.665 ( 1.457 0.000 -0.258) 1.480 1.766 ( -0.667 0.000 3.436) 3.500 1.830 ( -4.932 -0.000 3.565) 6.086 2.056 ( -10.087 -0.000 -6.038) 11.756 2.392 ( -4.781 -0.000 2.936) 5.611 2.478 ( -0.382 -0.000 -25.741) 25.744 2.848 ( 28.377 0.000 4.574) 28.744 3.342 ( 12.385 0.000 -8.658) 15.111 3.457 ( -1.462 -0.000 2.912) 3.258 3.985 ( -8.259 -0.000 3.348) 8.912 4.175 ( -3.030 -0.000 -1.840) 3.545 4.447 ( -6.133 -0.000 -16.892) 17.971 4.570 ( 15.761 0.000 0.918) 15.788 4.746 ( -15.508 -0.000 5.293) 16.386 4.982 ( -10.009 -0.000 4.541) 10.991 5.067 ( -1.451 -0.000 -1.185) 1.874 5.381 ( -11.119 -0.000 -7.588) 13.462 5.724 ( -9.700 -0.000 -9.305) 13.441 6.074 ( 1.294 0.000 17.043) 17.092 6.074 ( 18.241 0.000 -15.291) 23.802 6.427 ( -6.633 -0.000 -14.340) 15.799 6.594 ( 2.693 0.000 9.709) 10.076 6.817 ( 3.762 0.000 2.232) 4.375 6.964 ( -0.104 -0.000 -15.790) 15.791 7.067 ( 5.033 0.000 6.441) 8.174 7.368 ( -0.190 -0.000 -2.598) 2.605 7.563 ( 2.363 0.000 -0.140) 2.367 7.734 ( -17.573 -0.000 -7.390) 19.064 7.870 ( -5.039 -0.000 1.189) 5.178 8.070 ( -9.929 -0.000 -16.008) 18.837 8.116 ( 17.666 0.000 -13.837) 22.440 8.629 ( -5.016 -0.000 5.256) 7.265 8.696 ( 5.437 0.000 8.817) 10.358 8.958 ( 10.006 0.000 -5.242) 11.296 9.171 ( -4.945 -0.000 3.872) 6.280 9.213 ( 6.348 0.000 -9.501) 11.426 9.297 ( -9.131 -0.000 17.936) 20.127 9.399 ( 10.427 0.000 5.167) 11.637 9.759 ( -6.175 -0.000 -3.128) 6.922 9.897 ( -0.812 0.000 5.398) 5.459 10.079 ( 0.510 0.000 6.311) 6.332 10.209 ( 0.164 -0.000 -14.600) 14.601 10.803 ( 9.942 0.000 5.538) 11.381 11.204 ( -3.265 -0.000 -3.171) 4.551 11.276 ( 20.298 0.000 9.742) 22.515 11.855 ( -1.468 -0.000 -1.178) 1.882 12.284 ( 4.272 0.000 17.606) 18.117 12.452 ( -0.831 -0.000 -2.254) 2.402 12.667 ( 1.630 -0.000 -8.856) 9.004 12.706 ( 3.561 0.000 -7.162) 7.998 15.040 ( 2.909 0.000 18.894) 19.117 15.808 ( 1.829 0.000 19.615) 19.700 16.184 ( -16.376 -0.000 -1.242) 16.423 16.821 ( -6.489 -0.000 -19.929) 20.959 16.884 ( -6.614 -0.000 9.646) 11.696 17.021 ( -2.191 -0.000 -8.734) 9.005 17.842 ( 9.112 0.000 15.997) 18.410 18.792 ( 30.674 0.000 -18.542) 35.843 19.061 ( -14.599 -0.000 -27.925) 31.511 19.477 ( 1.575 0.000 20.794) 20.854 19.579 ( 0.960 0.000 -2.875) 3.032 20.351 ( -4.175 -0.000 -4.169) 5.900 21.223 ( 40.201 0.000 22.211) 45.928 21.448 ( -0.610 0.000 23.231) 23.239 22.510 ( -8.540 -0.000 -9.478) 12.758 23.633 ( -22.700 -0.000 -11.206) 25.315 23.895 ( 6.276 0.000 -5.599) 8.410 24.568 ( 1.316 -0.000 -6.546) 6.677 24.625 ( -2.334 -0.000 1.669) 2.870 24.702 ( -14.198 -0.000 -3.245) 14.564 ======================= Grid point 73 (61/96) ======================= q-point: ( 0.43 -0.14 -0.43) 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.58e-05 8.58e-05 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.622 ( 2.394 0.000 -0.568) 2.461 1.624 ( -2.807 -0.000 -1.096) 3.013 1.669 ( -1.285 -0.000 1.001) 1.629 1.709 ( -0.847 -0.000 2.748) 2.875 1.996 ( -4.613 -0.000 -2.888) 5.442 2.029 ( -0.686 -0.000 -24.208) 24.218 2.263 ( -3.640 -0.000 -0.076) 3.641 3.009 ( -8.657 -0.000 -31.790) 32.948 3.085 ( -13.233 -0.000 17.404) 21.864 3.315 ( 20.606 0.000 0.241) 20.608 3.734 ( -1.033 0.000 21.291) 21.316 3.904 ( -13.841 -0.000 2.207) 14.016 3.929 ( 23.321 0.000 -5.160) 23.885 4.070 ( -11.298 -0.000 12.464) 16.822 4.526 ( -11.800 -0.000 -10.139) 15.558 4.585 ( -5.926 -0.000 10.550) 12.100 4.883 ( -3.070 -0.000 3.527) 4.676 5.148 ( 1.082 -0.000 -5.770) 5.870 5.385 ( 3.047 0.000 -11.999) 12.380 5.753 ( -14.603 -0.000 -9.358) 17.345 5.802 ( -8.373 -0.000 7.085) 10.969 6.399 ( -7.618 -0.000 2.883) 8.145 6.477 ( 7.389 0.000 8.760) 11.460 6.548 ( 4.005 0.000 -6.177) 7.362 6.844 ( -9.253 -0.000 13.142) 16.073 7.053 ( -30.354 -0.000 3.984) 30.614 7.078 ( 7.081 0.000 -5.929) 9.235 7.219 ( -5.228 -0.000 -14.240) 15.170 7.416 ( 7.342 0.000 1.767) 7.552 7.530 ( -6.935 -0.000 2.425) 7.346 7.806 ( -7.279 -0.000 -0.348) 7.288 8.169 ( -2.305 -0.000 -4.677) 5.214 8.210 ( -10.825 -0.000 11.508) 15.799 8.481 ( 15.204 0.000 12.921) 19.953 8.785 ( 6.311 0.000 -15.101) 16.366 8.832 ( -4.996 -0.000 12.280) 13.257 9.016 ( -8.076 -0.000 1.186) 8.163 9.209 ( 17.720 0.000 4.096) 18.188 9.414 ( 6.527 0.000 5.055) 8.255 9.522 ( -14.996 -0.000 2.060) 15.137 9.780 ( 8.900 0.000 -16.192) 18.477 9.944 ( 7.508 0.000 0.846) 7.556 10.283 ( 10.754 0.000 -12.430) 16.436 10.573 ( -8.558 -0.000 -20.105) 21.850 10.926 ( 8.219 0.000 -2.615) 8.625 11.341 ( 3.832 0.000 -10.195) 10.891 11.520 ( 17.094 0.000 3.837) 17.520 11.912 ( 1.126 -0.000 -5.570) 5.683 12.096 ( 5.295 0.000 10.303) 11.584 12.397 ( -2.720 -0.000 2.208) 3.504 12.879 ( -0.078 -0.000 -10.163) 10.163 13.024 ( 3.239 0.000 -15.569) 15.903 14.768 ( 8.436 0.000 17.489) 19.417 15.340 ( 7.419 0.000 34.585) 35.371 15.956 ( -7.612 -0.000 1.853) 7.834 16.510 ( -12.138 -0.000 5.553) 13.348 16.923 ( -6.351 -0.000 5.512) 8.410 16.992 ( -9.531 -0.000 -10.374) 14.088 17.836 ( 10.848 0.000 6.189) 12.489 19.246 ( 6.874 0.000 7.847) 10.432 19.365 ( -5.567 -0.000 -15.210) 16.197 19.572 ( -15.673 -0.000 -14.859) 21.597 19.806 ( 27.710 0.000 -20.830) 34.666 20.600 ( -4.604 -0.000 -22.853) 23.312 20.975 ( 7.818 0.000 25.795) 26.954 21.507 ( 34.380 0.000 20.851) 40.209 22.672 ( 6.047 0.000 -10.210) 11.866 23.433 ( -21.830 -0.000 -11.480) 24.665 24.011 ( 2.496 0.000 1.663) 2.999 24.312 ( -17.811 -0.000 4.991) 18.498 24.500 ( -4.052 -0.000 4.872) 6.337 24.723 ( -4.011 -0.000 -6.291) 7.460 ======================= Grid point 74 (62/96) ======================= q-point: ( 0.29 -0.14 -0.29) 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.58e-05 8.58e-05 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.534 ( -6.910 -0.000 1.979) 7.187 1.623 ( -4.993 -0.000 0.301) 5.002 1.649 ( -2.265 -0.000 -1.244) 2.584 1.665 ( 0.004 0.000 0.260) 0.260 2.006 ( -1.646 -0.000 -3.296) 3.684 2.182 ( -4.254 -0.000 1.350) 4.463 2.289 ( -10.777 -0.000 -3.040) 11.198 2.533 ( -23.022 -0.000 1.669) 23.082 3.175 ( -1.175 0.000 12.442) 12.498 3.261 ( -22.568 -0.000 -16.097) 27.721 3.307 ( -6.411 -0.000 2.251) 6.795 3.651 ( -32.494 -0.000 13.230) 35.084 3.786 ( 12.270 0.000 -7.205) 14.229 4.248 ( 10.057 0.000 19.474) 21.918 4.411 ( 8.861 0.000 -5.257) 10.303 4.654 ( 11.274 0.000 -3.663) 11.854 4.825 ( -10.026 -0.000 -15.191) 18.201 5.285 ( 7.361 0.000 5.082) 8.945 5.394 ( -21.377 -0.000 1.217) 21.411 5.439 ( -15.941 -0.000 3.788) 16.385 5.843 ( 4.797 0.000 -9.506) 10.648 5.910 ( -19.905 -0.000 22.786) 30.256 6.210 ( -23.136 -0.000 4.594) 23.588 6.286 ( -8.344 -0.000 -3.762) 9.153 6.508 ( 5.849 0.000 13.260) 14.493 6.748 ( 4.900 0.000 -1.420) 5.102 7.333 ( -7.069 -0.000 -5.306) 8.839 7.356 ( -7.783 -0.000 -3.494) 8.532 7.514 ( 7.132 0.000 -12.585) 14.465 7.588 ( -10.911 -0.000 2.782) 11.260 7.702 ( 10.418 0.000 -1.782) 10.569 7.967 ( -10.332 -0.000 -5.035) 11.493 8.148 ( -1.992 -0.000 -0.594) 2.078 8.486 ( -5.716 -0.000 11.486) 12.830 8.555 ( 19.490 0.000 11.363) 22.561 8.849 ( -10.185 -0.000 -2.612) 10.514 9.147 ( -17.692 -0.000 2.975) 17.940 9.171 ( 4.324 0.000 -10.603) 11.451 9.343 ( 0.100 0.000 4.473) 4.474 9.475 ( 16.915 0.000 3.381) 17.249 10.102 ( 10.512 0.000 0.087) 10.513 10.197 ( 9.189 0.000 -7.686) 11.979 10.588 ( -13.740 -0.000 -4.353) 14.413 10.816 ( 8.984 0.000 -16.734) 18.993 11.196 ( 11.444 0.000 -2.749) 11.770 11.653 ( -0.992 -0.000 -12.320) 12.360 11.723 ( 10.067 0.000 2.461) 10.364 12.075 ( 8.667 0.000 2.801) 9.108 12.128 ( 5.554 0.000 -7.467) 9.306 12.306 ( -3.472 -0.000 0.314) 3.486 13.014 ( -6.667 -0.000 -7.585) 10.099 13.426 ( 2.520 -0.000 -17.664) 17.843 14.695 ( 16.222 0.000 12.618) 20.551 14.771 ( 7.401 0.000 32.391) 33.226 15.762 ( -1.758 -0.000 7.879) 8.072 16.279 ( -11.516 -0.000 -4.371) 12.318 16.621 ( -9.253 -0.000 7.641) 12.000 16.938 ( -10.320 -0.000 -3.587) 10.926 17.931 ( 8.922 0.000 4.020) 9.786 19.041 ( -31.187 -0.000 -0.130) 31.187 19.318 ( 9.193 0.000 1.823) 9.372 19.958 ( 1.329 -0.000 -24.866) 24.901 20.658 ( 18.067 0.000 -16.776) 24.655 20.689 ( 18.449 0.000 19.116) 26.567 21.041 ( -1.371 -0.000 -15.177) 15.238 21.754 ( 33.072 0.000 15.093) 36.354 23.138 ( 16.083 0.000 -12.709) 20.498 23.213 ( -19.120 -0.000 -3.166) 19.381 23.902 ( -18.964 -0.000 -3.816) 19.344 23.959 ( -0.050 0.000 5.613) 5.613 24.265 ( -6.236 -0.000 7.780) 9.971 24.712 ( -5.495 -0.000 -2.253) 5.939 ======================= Grid point 75 (63/96) ======================= q-point: ( 0.14 -0.14 -0.14) 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.58e-05 8.58e-05 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.172 ( -23.841 -0.000 -0.000) 23.841 1.391 ( -21.161 -0.000 -0.000) 21.161 1.583 ( -8.504 -0.000 -0.000) 8.504 1.650 ( -1.271 -0.000 -0.000) 1.271 1.991 ( -4.552 -0.000 -0.000) 4.552 2.002 ( -18.555 -0.000 -0.000) 18.555 2.019 ( -0.902 -0.000 -0.000) 0.902 2.292 ( -0.567 -0.000 -0.000) 0.567 2.674 ( -39.715 -0.000 -0.000) 39.715 2.886 ( -22.352 -0.000 -0.000) 22.352 3.212 ( 16.301 0.000 0.000) 16.301 3.293 ( -6.913 -0.000 -0.000) 6.913 4.147 ( -3.639 -0.000 -0.000) 3.639 4.389 ( -4.099 -0.000 -0.000) 4.099 4.451 ( 31.531 0.000 0.000) 31.531 4.727 ( -5.541 -0.000 -0.000) 5.541 4.743 ( -17.887 -0.000 -0.000) 17.887 5.041 ( 7.123 0.000 0.000) 7.123 5.153 ( -8.634 -0.000 -0.000) 8.634 5.292 ( -17.167 -0.000 -0.000) 17.167 5.336 ( -41.857 -0.000 -0.000) 41.857 5.719 ( 24.925 0.000 0.000) 24.925 6.100 ( -16.844 -0.000 -0.000) 16.844 6.186 ( -1.230 -0.000 -0.000) 1.230 6.638 ( 22.878 0.000 0.000) 22.878 6.824 ( 0.779 0.000 0.000) 0.779 7.217 ( -24.176 -0.000 -0.000) 24.176 7.222 ( -6.529 -0.000 -0.000) 6.529 7.346 ( 0.864 0.000 0.000) 0.864 7.708 ( -3.167 -0.000 -0.000) 3.167 7.749 ( 1.456 0.000 0.000) 1.456 7.923 ( -5.666 -0.000 -0.000) 5.666 8.216 ( -5.672 -0.000 -0.000) 5.672 8.248 ( 8.246 0.000 0.000) 8.246 8.729 ( -9.081 -0.000 -0.000) 9.081 8.760 ( -16.016 -0.000 -0.000) 16.016 8.766 ( 11.628 0.000 0.000) 11.628 9.274 ( 0.883 0.000 0.000) 0.883 9.366 ( 2.102 0.000 0.000) 2.102 9.764 ( 16.474 0.000 0.000) 16.474 10.278 ( -16.228 -0.000 -0.000) 16.228 10.418 ( 17.100 0.000 0.000) 17.100 10.465 ( 10.401 0.000 0.000) 10.401 11.087 ( -1.440 -0.000 -0.000) 1.440 11.479 ( 15.386 0.000 0.000) 15.386 11.674 ( -9.286 -0.000 -0.000) 9.286 11.816 ( 3.165 0.000 0.000) 3.165 12.241 ( -3.982 -0.000 -0.000) 3.982 12.288 ( 10.551 0.000 0.000) 10.551 12.364 ( 7.154 0.000 0.000) 7.154 12.919 ( -9.659 -0.000 -0.000) 9.659 13.704 ( 1.193 0.000 0.000) 1.193 14.513 ( 7.403 0.000 0.000) 7.403 14.872 ( 17.521 0.000 0.000) 17.521 15.633 ( -1.835 -0.000 -0.000) 1.835 16.168 ( -6.129 -0.000 -0.000) 6.129 16.293 ( -14.103 -0.000 -0.000) 14.103 16.788 ( -7.995 -0.000 -0.000) 7.995 18.020 ( 5.416 0.000 0.000) 5.416 18.426 ( -29.308 -0.000 -0.000) 29.308 19.465 ( 6.981 0.000 0.000) 6.981 20.346 ( 2.821 0.000 0.000) 2.821 20.868 ( 27.231 0.000 0.000) 27.231 21.096 ( 10.991 0.000 0.000) 10.991 21.164 ( -3.257 -0.000 -0.000) 3.257 22.255 ( 31.904 0.000 0.000) 31.904 22.835 ( -20.361 -0.000 -0.000) 20.361 23.708 ( -9.551 -0.000 -0.000) 9.551 23.733 ( 20.166 0.000 0.000) 20.166 23.742 ( -10.401 -0.000 -0.000) 10.401 24.056 ( -5.300 -0.000 -0.000) 5.300 24.633 ( -4.589 -0.000 -0.000) 4.589 ======================= Grid point 77 (64/96) ======================= q-point: ( 0.44 -0.16 0.16) 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.58e-05 8.58e-05 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.458 ( 0.000 6.658 5.516) 8.646 1.552 ( 0.000 0.228 1.264) 1.284 1.599 ( 0.000 4.379 4.288) 6.129 1.834 ( -0.000 1.010 -7.946) 8.010 2.202 ( -0.000 -3.781 -0.906) 3.888 2.310 ( 0.000 10.837 -1.752) 10.978 2.346 ( -0.000 -1.515 -0.291) 1.543 2.657 ( 0.000 11.007 9.224) 14.361 2.767 ( -0.000 -9.131 -11.666) 14.815 3.010 ( -0.000 3.550 -11.968) 12.483 3.722 ( 0.000 2.615 -0.165) 2.621 3.831 ( 0.000 9.347 0.484) 9.359 4.309 ( -0.000 -3.364 -4.871) 5.920 4.467 ( 0.000 13.179 4.860) 14.046 4.539 ( 0.000 15.329 8.946) 17.749 4.642 ( 0.000 17.721 -8.722) 19.751 4.730 ( 0.000 17.489 -13.725) 22.231 5.106 ( 0.000 -4.521 8.642) 9.753 5.579 ( 0.000 10.261 -7.571) 12.751 5.686 ( -0.000 -4.837 4.196) 6.403 5.794 ( 0.000 0.341 6.198) 6.207 6.251 ( -0.000 -1.231 -2.486) 2.774 6.413 ( -0.000 -1.263 0.411) 1.328 6.601 ( 0.000 9.257 4.997) 10.520 6.787 ( -0.000 -2.580 -0.515) 2.631 6.959 ( -0.000 -3.948 3.509) 5.282 7.129 ( 0.000 10.368 6.802) 12.400 7.364 ( -0.000 4.209 -10.391) 11.212 7.456 ( -0.000 0.396 -3.837) 3.857 7.548 ( -0.000 2.152 -3.997) 4.539 7.726 ( 0.000 1.881 5.311) 5.635 7.795 ( 0.000 17.146 15.031) 22.802 8.077 ( 0.000 10.925 -5.745) 12.344 8.192 ( 0.000 7.960 10.138) 12.890 8.730 ( 0.000 16.217 6.104) 17.328 8.855 ( 0.000 7.568 8.491) 11.375 8.931 ( -0.000 -7.875 2.143) 8.161 9.066 ( -0.000 0.518 -3.769) 3.805 9.346 ( -0.000 -12.286 -9.337) 15.431 9.670 ( -0.000 -11.080 -6.549) 12.871 9.740 ( 0.000 1.039 7.360) 7.433 10.044 ( -0.000 -7.761 -3.493) 8.511 10.156 ( -0.000 -4.199 -0.578) 4.239 10.488 ( -0.000 6.061 -16.525) 17.602 10.840 ( -0.000 -18.179 -6.702) 19.375 11.053 ( -0.000 -20.098 -11.419) 23.115 11.553 ( 0.000 9.658 0.987) 9.708 11.696 ( -0.000 -7.849 -11.255) 13.722 11.964 ( 0.000 -5.252 10.712) 11.930 12.523 ( 0.000 2.503 4.524) 5.170 12.921 ( -0.000 -1.844 -13.351) 13.478 12.968 ( -0.000 -5.230 -14.943) 15.832 14.988 ( -0.000 -17.096 25.131) 30.395 15.223 ( 0.000 -8.686 30.495) 31.708 16.265 ( 0.000 1.288 24.063) 24.097 16.796 ( 0.000 16.535 0.523) 16.543 17.188 ( 0.000 11.997 -12.249) 17.146 17.302 ( -0.000 -9.420 -6.098) 11.221 17.366 ( 0.000 7.485 7.198) 10.384 18.226 ( 0.000 8.282 19.985) 21.633 18.847 ( -0.000 -4.457 -45.349) 45.568 19.702 ( -0.000 2.481 -6.475) 6.934 20.087 ( -0.000 -11.715 -6.910) 13.601 20.470 ( -0.000 -2.146 -31.815) 31.888 21.094 ( -0.000 -36.716 18.060) 40.917 21.693 ( -0.000 -18.113 15.003) 23.520 22.305 ( 0.000 9.185 4.482) 10.220 23.406 ( 0.000 22.608 -18.166) 29.002 24.376 ( 0.000 5.606 5.711) 8.002 24.519 ( 0.000 -1.970 6.573) 6.862 24.626 ( 0.000 6.754 -0.341) 6.763 24.875 ( 0.000 8.446 -4.547) 9.592 ======================= Grid point 78 (65/96) ======================= q-point: ( 0.30 -0.16 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.58e-05 8.58e-05 Number of triplets: 245 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.320 ( 0.049 6.953 5.252) 8.713 1.442 ( 3.752 10.060 8.350) 13.602 1.594 ( 1.221 -0.813 -0.237) 1.486 1.796 ( -5.011 -2.195 0.611) 5.504 2.177 ( -3.359 11.457 3.890) 12.557 2.249 ( -1.021 0.555 -1.492) 1.891 2.425 ( 4.271 3.773 0.286) 5.706 2.472 ( 3.482 5.538 10.972) 12.774 3.003 ( -11.796 5.116 -18.166) 22.255 3.273 ( 1.151 -0.287 -12.502) 12.558 3.493 ( -17.366 25.511 2.376) 30.952 3.779 ( -9.848 -3.768 2.258) 10.784 4.133 ( 2.840 -0.883 8.862) 9.347 4.459 ( 2.782 21.489 2.647) 21.830 4.637 ( -2.586 13.096 -8.364) 15.753 4.880 ( 12.961 -8.750 -6.431) 16.909 4.973 ( 1.948 10.020 -4.954) 11.346 5.266 ( 4.035 4.681 -5.189) 8.069 5.353 ( -2.674 -0.708 3.121) 4.170 5.582 ( -9.688 13.611 0.617) 16.718 5.857 ( -2.797 19.777 -9.864) 22.277 6.117 ( -6.274 -2.244 7.344) 9.917 6.346 ( -13.385 10.296 15.755) 23.095 6.566 ( 13.052 1.746 2.405) 13.386 6.722 ( 8.878 15.012 13.342) 21.958 6.932 ( 0.817 4.693 -1.918) 5.136 7.004 ( 6.461 -0.253 0.248) 6.471 7.214 ( -6.567 -5.056 3.334) 8.934 7.514 ( -0.637 2.064 -3.727) 4.308 7.684 ( -1.044 4.509 -0.855) 4.707 7.706 ( 5.901 4.439 -7.591) 10.590 7.849 ( -5.764 5.915 -3.305) 8.896 7.970 ( 9.985 4.051 7.775) 13.287 8.345 ( 12.186 7.359 -3.429) 14.643 8.619 ( 4.029 -0.878 12.204) 12.882 8.714 ( -6.211 8.848 -0.597) 10.827 8.911 ( 2.022 2.906 2.627) 4.409 9.216 ( 9.935 2.015 -0.637) 10.157 9.562 ( 3.882 -17.640 -7.104) 19.408 9.576 ( -2.047 -3.462 4.131) 5.765 9.802 ( 1.387 -6.729 -3.569) 7.742 10.142 ( 7.510 -6.137 2.342) 9.977 10.241 ( 7.276 -1.426 -2.986) 7.993 10.684 ( -11.115 -18.317 -1.668) 21.491 10.883 ( -3.872 -0.664 -16.312) 16.778 11.402 ( -0.322 -10.507 -12.062) 16.000 11.580 ( 1.479 -1.722 -3.600) 4.256 11.787 ( 1.391 -5.727 3.228) 6.720 11.928 ( 6.730 -5.390 1.287) 8.718 12.445 ( -1.336 1.025 -0.030) 1.684 13.254 ( 0.277 2.961 -18.045) 18.289 13.267 ( -1.743 -5.140 -15.848) 16.752 14.415 ( -3.652 -9.394 26.844) 28.674 14.684 ( 7.880 -13.993 26.678) 31.139 15.873 ( -1.524 -0.079 12.032) 12.128 16.736 ( -0.928 13.130 3.160) 13.536 17.034 ( -18.159 8.125 -3.325) 20.170 17.266 ( 2.034 9.443 3.590) 10.305 17.611 ( 5.277 -6.144 -4.029) 9.046 18.055 ( 15.829 8.744 9.404) 20.383 19.579 ( -3.565 -6.916 -4.261) 8.871 19.920 ( 4.633 -0.666 -29.778) 30.144 20.277 ( 1.588 -14.401 -11.109) 18.257 20.680 ( -8.678 -22.059 6.945) 24.702 21.126 ( 1.646 -1.415 -19.536) 19.656 21.473 ( 6.814 -20.628 14.571) 26.159 22.244 ( 11.185 -4.785 7.633) 14.362 23.685 ( -7.020 15.980 -13.035) 21.784 24.191 ( -9.063 12.558 3.909) 15.973 24.270 ( -5.816 1.708 8.494) 10.436 24.619 ( 1.264 7.263 1.769) 7.581 24.956 ( -2.594 7.907 -4.519) 9.469 ======================= Grid point 79 (66/96) ======================= q-point: ( 0.16 -0.16 0.44) 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.58e-05 8.58e-05 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.404 ( 12.129 2.805 0.000) 12.449 1.465 ( 7.179 7.110 -0.000) 10.104 1.625 ( 1.595 -0.739 0.000) 1.757 1.746 ( -1.640 0.243 -0.000) 1.657 2.127 ( 1.413 4.028 -0.000) 4.268 2.185 ( -7.288 6.252 -0.000) 9.602 2.344 ( 2.858 4.399 -0.000) 5.246 2.562 ( 7.509 15.301 -0.000) 17.044 2.816 ( -18.582 29.722 -0.000) 35.052 3.345 ( 10.566 4.329 -0.000) 11.418 3.426 ( -7.984 3.353 -0.000) 8.659 3.709 ( -13.119 -18.769 0.000) 22.899 3.825 ( -0.445 -0.010 -0.000) 0.445 4.298 ( -18.348 15.127 -0.000) 23.780 4.692 ( -12.330 6.341 -0.000) 13.865 4.861 ( -9.814 3.959 -0.000) 10.582 5.229 ( 6.738 -1.489 0.000) 6.901 5.317 ( -0.307 21.157 -0.000) 21.159 5.396 ( 16.310 -3.924 0.000) 16.775 5.574 ( -0.173 10.072 -0.000) 10.073 5.778 ( -7.330 8.566 -0.000) 11.275 5.886 ( -7.125 -12.178 0.000) 14.109 6.102 ( 2.847 26.230 -0.000) 26.384 6.553 ( 1.181 -7.069 0.000) 7.166 6.859 ( 14.884 16.552 -0.000) 22.260 7.071 ( -0.564 -4.446 0.000) 4.482 7.181 ( 6.922 3.818 -0.000) 7.906 7.240 ( 9.755 -5.157 0.000) 11.034 7.491 ( -7.441 -2.978 0.000) 8.015 7.619 ( 2.149 0.752 -0.000) 2.276 7.630 ( -9.854 4.200 -0.000) 10.712 8.043 ( 13.791 10.603 -0.000) 17.396 8.138 ( -0.071 5.171 -0.000) 5.171 8.323 ( 1.710 -5.238 0.000) 5.510 8.533 ( -10.383 7.235 -0.000) 12.655 8.768 ( 10.875 3.980 -0.000) 11.580 8.944 ( 7.398 -6.641 0.000) 9.942 9.354 ( 2.005 -3.379 0.000) 3.929 9.437 ( -5.113 -3.647 0.000) 6.280 9.744 ( -0.090 -3.148 0.000) 3.149 9.865 ( 5.039 -12.368 0.000) 13.356 10.288 ( -8.817 -9.776 0.000) 13.164 10.358 ( 16.923 4.677 -0.000) 17.557 10.642 ( 8.187 -12.975 0.000) 15.342 11.029 ( -0.872 6.139 -0.000) 6.200 11.372 ( -13.415 -2.812 -0.000) 13.707 11.663 ( 1.154 -8.511 0.000) 8.589 11.816 ( 4.464 -2.458 0.000) 5.096 12.070 ( 10.665 -4.173 0.000) 11.452 12.459 ( 0.078 -1.460 0.000) 1.463 13.354 ( -5.086 2.306 -0.000) 5.584 13.647 ( 1.886 1.878 -0.000) 2.662 13.916 ( -2.333 -5.706 0.000) 6.164 14.570 ( 10.336 -14.586 0.000) 17.877 15.721 ( -1.772 0.385 -0.000) 1.813 16.677 ( -1.348 8.477 -0.000) 8.583 16.736 ( -15.133 8.246 -0.000) 17.234 17.304 ( 5.430 8.508 -0.000) 10.094 17.618 ( -5.100 -7.525 0.000) 9.090 18.448 ( 31.699 9.122 -0.000) 32.985 19.473 ( -5.102 -7.543 0.000) 9.106 20.237 ( -1.459 -2.387 0.000) 2.797 20.315 ( -21.249 -3.637 -0.000) 21.558 20.637 ( 7.387 -8.708 0.000) 11.419 21.307 ( -3.158 1.940 -0.000) 3.706 21.495 ( 18.393 -33.075 0.000) 37.845 22.519 ( 22.872 -13.400 0.000) 26.508 23.509 ( -20.726 17.868 -0.000) 27.365 23.964 ( -13.128 8.634 -0.000) 15.713 24.094 ( -2.884 8.384 -0.000) 8.866 24.601 ( -0.727 3.409 -0.000) 3.485 24.938 ( -3.861 5.394 -0.000) 6.634 ======================= Grid point 91 (67/96) ======================= q-point: (-0.39 -0.19 0.19) 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.58e-05 8.58e-05 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.356 ( -0.000 -14.589 -23.042) 27.272 1.489 ( -0.000 -1.544 -3.467) 3.796 1.629 ( 0.000 3.000 -0.079) 3.001 1.758 ( 0.000 2.606 3.623) 4.462 2.076 ( -0.000 -0.791 -4.104) 4.180 2.345 ( 0.000 3.377 -6.106) 6.977 2.406 ( 0.000 -1.236 9.963) 10.039 2.528 ( -0.000 -2.137 -21.876) 21.980 2.560 ( -0.000 -5.612 2.016) 5.963 3.083 ( 0.000 7.779 -3.622) 8.580 3.672 ( -0.000 -12.235 -3.888) 12.837 3.975 ( 0.000 6.478 10.171) 12.059 4.228 ( 0.000 6.774 -6.526) 9.406 4.316 ( -0.000 -2.469 -17.097) 17.274 4.463 ( -0.000 2.663 -20.577) 20.749 4.806 ( 0.000 13.084 -7.290) 14.978 5.104 ( 0.000 7.751 4.013) 8.728 5.270 ( 0.000 -0.548 2.611) 2.667 5.459 ( -0.000 1.589 -19.999) 20.062 5.570 ( -0.000 -4.398 -2.771) 5.198 5.966 ( 0.000 -2.829 12.555) 12.870 6.337 ( 0.000 6.034 4.087) 7.288 6.372 ( 0.000 -1.873 8.699) 8.899 6.666 ( -0.000 2.380 -5.226) 5.742 6.735 ( -0.000 -1.249 0.874) 1.524 6.913 ( -0.000 -4.361 0.131) 4.363 7.095 ( -0.000 -1.596 -8.375) 8.526 7.278 ( -0.000 -4.098 -10.010) 10.816 7.415 ( -0.000 -7.033 -6.120) 9.323 7.449 ( 0.000 8.330 -6.096) 10.322 7.925 ( 0.000 1.231 4.349) 4.520 7.962 ( 0.000 16.287 -4.802) 16.980 8.340 ( 0.000 5.563 -6.704) 8.712 8.618 ( -0.000 -13.994 -5.516) 15.042 8.622 ( 0.000 15.369 -7.917) 17.289 8.855 ( -0.000 -12.163 -4.793) 13.073 8.956 ( 0.000 8.085 -9.245) 12.281 9.195 ( 0.000 8.298 0.964) 8.354 9.442 ( 0.000 13.018 14.401) 19.413 9.473 ( 0.000 1.970 15.786) 15.909 9.779 ( -0.000 -1.352 -4.890) 5.073 9.900 ( -0.000 -1.589 -0.500) 1.666 10.148 ( 0.000 1.704 -2.680) 3.176 10.393 ( -0.000 -11.226 -1.278) 11.299 10.569 ( -0.000 -12.683 19.571) 23.321 10.627 ( -0.000 -4.186 5.628) 7.014 11.368 ( -0.000 -3.484 -5.717) 6.695 11.786 ( 0.000 8.213 0.829) 8.255 12.178 ( 0.000 -2.701 19.917) 20.099 12.590 ( -0.000 -5.992 -10.033) 11.686 12.613 ( -0.000 -2.914 3.416) 4.490 12.633 ( -0.000 -0.775 -11.698) 11.724 15.138 ( -0.000 -13.325 20.239) 24.231 15.722 ( 0.000 -0.565 25.451) 25.458 16.892 ( 0.000 2.707 29.310) 29.435 16.944 ( -0.000 1.936 -17.186) 17.295 16.949 ( -0.000 -1.111 -10.875) 10.932 16.986 ( -0.000 3.561 -12.618) 13.111 17.671 ( 0.000 4.454 11.506) 12.338 17.958 ( -0.000 -1.608 -34.528) 34.565 19.076 ( 0.000 23.998 23.241) 33.407 19.408 ( -0.000 7.505 -33.958) 34.777 19.870 ( -0.000 -5.241 4.238) 6.740 20.034 ( -0.000 -5.397 3.341) 6.348 20.766 ( -0.000 -35.835 19.149) 40.631 21.680 ( -0.000 -12.921 14.754) 19.612 22.584 ( 0.000 9.908 2.758) 10.285 23.505 ( 0.000 23.030 -16.904) 28.568 24.334 ( -0.000 -13.570 0.063) 13.570 24.511 ( -0.000 -1.013 -13.935) 13.972 24.635 ( 0.000 3.952 1.404) 4.194 24.961 ( 0.000 4.777 -2.502) 5.393 ======================= Grid point 92 (68/96) ======================= q-point: ( 0.47 -0.19 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.58e-05 8.58e-05 Number of triplets: 245 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.528 ( -1.135 0.719 0.561) 1.456 1.579 ( 0.507 4.345 2.148) 4.873 1.662 ( -0.631 2.211 2.730) 3.569 1.787 ( -3.471 0.652 -1.383) 3.793 2.071 ( -0.527 -6.779 -14.451) 15.971 2.310 ( -6.065 1.263 -2.443) 6.660 2.454 ( 6.841 0.354 -1.094) 6.937 2.537 ( -5.614 -6.103 -7.404) 11.117 2.895 ( -0.478 10.359 -10.428) 14.706 3.114 ( 4.949 8.336 1.146) 9.761 3.565 ( -6.307 -6.014 4.218) 9.682 3.966 ( 3.278 -1.326 -1.762) 3.950 4.281 ( -9.430 10.667 -4.362) 14.891 4.514 ( -0.374 -3.584 -6.553) 7.478 4.806 ( -8.196 5.065 7.030) 11.927 4.921 ( 2.429 0.249 -13.509) 13.728 4.975 ( -3.016 10.303 2.202) 10.959 5.160 ( -0.450 5.799 -0.036) 5.816 5.433 ( -6.263 -1.393 7.753) 10.064 5.826 ( -0.500 6.341 -5.084) 8.143 5.934 ( 7.906 11.980 -5.514) 15.376 6.057 ( -5.884 -8.009 -1.686) 10.081 6.461 ( 10.075 -1.626 -3.016) 10.642 6.730 ( -1.910 -2.968 3.070) 4.677 6.778 ( 3.704 -0.622 -6.585) 7.581 7.017 ( 5.090 5.032 -4.371) 8.387 7.100 ( -13.545 1.335 -0.087) 13.611 7.398 ( 0.263 6.363 -2.264) 6.759 7.499 ( -1.715 3.560 -6.303) 7.439 7.744 ( 5.113 0.880 7.937) 9.482 7.780 ( -1.239 14.653 2.483) 14.913 8.086 ( 4.609 2.542 0.843) 5.331 8.223 ( 0.795 15.210 7.031) 16.775 8.511 ( 2.128 10.115 2.884) 10.732 8.676 ( -9.141 -9.061 -3.987) 13.474 8.944 ( -2.456 5.233 11.949) 13.274 8.999 ( 1.310 -6.823 0.918) 7.008 9.098 ( 2.005 -6.830 3.137) 7.779 9.371 ( 5.139 6.519 -2.002) 8.539 9.555 ( 10.834 1.435 -4.807) 11.940 9.668 ( -4.631 -6.259 3.042) 8.359 10.022 ( 1.925 -2.395 -5.108) 5.961 10.171 ( -11.336 -11.002 -5.998) 16.897 10.222 ( 8.435 -2.054 -2.176) 8.950 10.679 ( 5.694 5.688 -5.757) 9.895 10.859 ( 13.559 -16.300 -10.312) 23.578 11.484 ( -3.695 -8.526 -6.073) 11.101 11.766 ( 6.897 3.319 7.579) 10.772 11.910 ( 0.717 -1.186 3.824) 4.067 12.507 ( -2.466 -0.715 3.060) 3.995 12.847 ( -0.195 -1.446 -14.562) 14.635 12.925 ( 3.151 -3.864 -13.802) 14.675 14.716 ( 0.571 -9.868 21.451) 23.619 15.151 ( 3.796 -3.802 32.886) 33.322 16.230 ( -4.667 -0.236 22.160) 22.647 16.994 ( -12.992 2.237 -7.670) 15.252 17.024 ( -2.731 9.382 1.823) 9.940 17.332 ( -0.369 -5.844 -11.470) 12.878 17.513 ( 2.013 5.424 5.755) 8.160 18.679 ( 11.007 21.765 8.381) 25.789 18.979 ( 16.253 -0.564 -26.846) 31.387 19.569 ( -7.933 -9.216 -0.863) 12.191 20.000 ( 0.992 -0.802 -1.910) 2.297 20.254 ( 1.758 -11.608 -17.203) 20.828 20.662 ( 12.066 -15.555 -4.175) 20.124 21.402 ( -2.686 -13.646 11.641) 18.137 22.451 ( 2.923 3.599 9.850) 10.887 23.759 ( -4.282 17.209 -10.553) 20.636 24.248 ( -6.117 -8.241 0.169) 10.264 24.542 ( -4.828 7.217 4.296) 9.688 24.706 ( -2.086 2.587 -4.288) 5.425 24.953 ( -5.075 3.168 -4.507) 7.490 ======================= Grid point 93 (69/96) ======================= q-point: ( 0.33 -0.19 0.47) 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.58e-05 8.58e-05 Number of triplets: 245 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.477 ( 3.693 5.215 0.744) 6.433 1.602 ( 2.614 0.612 1.076) 2.892 1.625 ( 1.899 1.012 2.212) 3.086 1.719 ( 0.936 -3.294 1.450) 3.719 2.167 ( -8.953 0.733 -2.544) 9.336 2.213 ( -0.986 -0.793 1.979) 2.349 2.634 ( -0.215 13.551 4.858) 14.397 2.759 ( 14.062 3.201 -3.482) 14.836 2.940 ( 1.846 1.377 -17.658) 17.807 3.421 ( -2.865 -10.087 5.546) 11.863 3.483 ( 15.450 -1.555 -4.652) 16.209 3.689 ( -23.036 31.463 5.865) 39.433 4.018 ( -4.906 -3.235 15.094) 16.198 4.409 ( -25.591 -2.941 -10.401) 27.780 4.570 ( -19.141 6.335 -0.207) 20.164 4.914 ( 8.735 0.532 -14.200) 16.680 5.084 ( -1.380 7.351 0.589) 7.503 5.259 ( -3.131 -15.004 -10.394) 18.519 5.420 ( 5.068 5.151 -2.109) 7.527 5.810 ( -0.187 0.019 10.769) 10.771 5.939 ( -6.119 3.083 0.357) 6.861 6.242 ( 2.769 10.393 -12.537) 16.519 6.348 ( -17.191 17.883 20.221) 32.004 6.609 ( -10.882 7.644 4.982) 14.201 6.887 ( -8.069 -11.587 -2.472) 14.334 7.095 ( 9.717 -0.855 -6.965) 11.986 7.107 ( 10.704 0.055 -1.711) 10.840 7.253 ( 7.129 12.618 -4.975) 15.323 7.475 ( -9.564 -0.031 11.900) 15.267 7.607 ( 0.071 0.921 -0.118) 0.932 7.847 ( 3.493 5.595 6.424) 9.207 8.030 ( -0.192 8.218 -8.915) 12.126 8.252 ( 2.124 0.172 9.056) 9.303 8.466 ( -12.898 -7.095 -0.868) 14.746 8.693 ( -1.348 5.534 6.376) 8.549 8.766 ( 9.269 4.124 -6.554) 12.078 8.920 ( 4.376 -0.830 3.876) 5.904 9.128 ( 8.807 -16.886 4.968) 19.682 9.331 ( -4.816 -9.806 1.635) 11.047 9.696 ( -0.929 1.262 1.180) 1.962 9.784 ( 2.894 2.710 -1.307) 4.175 10.017 ( -2.973 -12.794 -6.484) 14.648 10.339 ( 11.892 -1.341 -8.866) 14.893 10.593 ( 18.213 10.253 -0.667) 20.911 10.996 ( 6.953 6.461 -10.615) 14.239 11.197 ( -5.937 -5.791 -10.106) 13.073 11.518 ( 3.517 -5.594 -2.022) 6.910 11.766 ( 9.135 -5.345 6.234) 12.284 11.985 ( 5.550 -3.754 -1.491) 6.865 12.423 ( -2.081 -0.099 0.383) 2.118 13.171 ( -1.098 -1.909 -15.791) 15.943 13.303 ( 1.635 1.661 -19.295) 19.436 14.304 ( 2.948 -1.886 22.603) 22.872 14.606 ( 7.878 -9.932 28.084) 30.813 15.837 ( -1.718 -0.318 11.013) 11.151 16.815 ( -16.535 5.169 -4.516) 17.903 16.867 ( -4.728 5.068 4.964) 8.525 17.392 ( -5.629 -4.151 -2.217) 7.337 17.535 ( 4.865 4.265 0.260) 6.475 18.790 ( 23.020 13.815 8.791) 28.250 19.357 ( 0.216 -5.377 2.700) 6.021 19.989 ( 12.270 -8.396 -24.529) 28.683 20.124 ( 0.614 -4.557 -10.288) 11.269 20.390 ( -4.786 6.182 -0.597) 7.840 21.109 ( 5.210 -9.307 -10.048) 14.654 21.147 ( 2.345 -18.614 6.394) 19.821 22.431 ( 17.258 -3.575 7.824) 19.283 23.729 ( -12.390 8.441 -1.591) 15.077 24.142 ( -7.550 2.483 -2.680) 8.387 24.278 ( -10.819 12.781 4.331) 17.296 24.637 ( -4.834 -2.619 2.096) 5.884 24.960 ( -6.639 2.177 -5.132) 8.669 ======================= Grid point 94 (70/96) ======================= q-point: ( 0.19 -0.19 -0.39) 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.58e-05 8.58e-05 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.588 ( -0.500 0.720 -0.000) 0.877 1.595 ( 3.819 1.214 -0.000) 4.008 1.647 ( 1.414 -0.090 0.000) 1.417 1.714 ( -0.913 -1.756 0.000) 1.979 2.085 ( -4.677 0.252 -0.000) 4.683 2.148 ( -0.387 -0.576 0.000) 0.694 2.501 ( -5.426 6.295 -0.000) 8.311 2.931 ( -27.756 27.900 -0.000) 39.355 3.116 ( -9.311 -9.957 0.000) 13.632 3.190 ( 13.568 12.636 -0.000) 18.541 3.537 ( 9.708 2.204 0.000) 9.955 3.551 ( -3.274 4.615 -0.000) 5.658 3.691 ( -22.410 9.389 -0.000) 24.297 4.169 ( 18.008 -2.581 0.000) 18.192 4.575 ( -7.998 1.523 -0.000) 8.142 4.948 ( -5.133 -6.826 0.000) 8.540 5.112 ( -18.118 -13.208 0.000) 22.421 5.383 ( 1.614 3.684 -0.000) 4.022 5.393 ( -23.314 7.948 -0.000) 24.631 5.545 ( -17.699 6.207 -0.000) 18.756 5.636 ( 16.498 -1.256 0.000) 16.546 5.842 ( -6.886 12.399 -0.000) 14.183 6.433 ( 0.849 -5.527 0.000) 5.592 6.520 ( 0.518 6.395 -0.000) 6.416 6.750 ( -17.014 -19.708 0.000) 26.036 6.937 ( -5.163 -15.884 0.000) 16.702 7.340 ( 1.336 7.503 -0.000) 7.621 7.466 ( 12.052 7.287 -0.000) 14.084 7.502 ( 8.406 7.806 -0.000) 11.471 7.663 ( -4.336 4.412 -0.000) 6.186 7.770 ( 5.267 11.848 -0.000) 12.966 7.876 ( -14.715 -13.278 0.000) 19.820 8.171 ( -4.790 3.520 -0.000) 5.945 8.390 ( -14.347 2.478 -0.000) 14.560 8.507 ( 7.843 -4.429 0.000) 9.007 8.999 ( 0.803 3.960 -0.000) 4.041 9.055 ( 11.203 0.165 0.000) 11.204 9.248 ( 0.569 -6.545 0.000) 6.570 9.256 ( 10.660 -9.227 0.000) 14.098 9.519 ( -11.578 -8.787 0.000) 14.535 9.826 ( 4.719 2.519 -0.000) 5.349 10.196 ( 9.267 -6.885 0.000) 11.545 10.783 ( 15.988 3.761 -0.000) 16.424 10.839 ( 9.218 9.551 -0.000) 13.274 11.019 ( -16.191 -2.372 -0.000) 16.364 11.263 ( 8.406 12.915 -0.000) 15.410 11.728 ( 10.922 2.636 -0.000) 11.235 11.823 ( 3.199 -3.853 0.000) 5.008 12.150 ( 8.989 -7.617 0.000) 11.783 12.400 ( -1.059 -3.632 0.000) 3.783 13.269 ( -6.267 0.157 -0.000) 6.269 13.684 ( -0.308 0.627 -0.000) 0.699 13.994 ( 7.303 8.079 -0.000) 10.891 14.506 ( 11.901 -14.287 0.000) 18.595 15.697 ( -1.489 0.257 -0.000) 1.511 16.572 ( -13.342 2.677 -0.000) 13.608 16.700 ( -6.809 2.424 -0.000) 7.228 17.257 ( -10.045 -6.251 0.000) 11.831 17.661 ( 8.429 5.874 -0.000) 10.274 19.126 ( 16.174 -3.108 0.000) 16.470 19.388 ( 3.244 3.671 -0.000) 4.899 19.995 ( -15.516 15.798 -0.000) 22.143 20.227 ( 1.974 0.457 0.000) 2.026 20.682 ( 10.033 -3.953 0.000) 10.784 21.266 ( 29.125 -33.810 0.000) 44.625 21.280 ( -3.249 1.494 -0.000) 3.576 22.808 ( 25.819 -5.304 0.000) 26.359 23.421 ( -17.063 10.333 -0.000) 19.948 23.947 ( -14.315 17.136 -0.000) 22.328 24.085 ( -8.073 2.025 -0.000) 8.323 24.500 ( -5.834 -7.752 0.000) 9.702 24.880 ( -6.712 0.209 -0.000) 6.715 ======================= Grid point 98 (71/96) ======================= q-point: ( 0.20 -0.20 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.58e-05 8.58e-05 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.834 ( 0.000 23.758 -0.000) 23.758 1.092 ( 0.000 11.439 -0.000) 11.439 1.597 ( -0.000 -0.583 0.000) 0.583 1.902 ( 0.000 0.963 -0.000) 0.963 1.975 ( 0.000 3.525 -0.000) 3.525 2.173 ( 0.000 24.864 -0.000) 24.864 2.186 ( 0.000 10.426 -0.000) 10.426 2.311 ( 0.000 0.226 -0.000) 0.226 3.041 ( 0.000 41.785 -0.000) 41.785 3.136 ( 0.000 31.912 -0.000) 31.912 3.328 ( 0.000 6.793 -0.000) 6.793 3.792 ( 0.000 7.360 -0.000) 7.360 3.869 ( -0.000 -5.417 0.000) 5.417 4.097 ( -0.000 -4.315 0.000) 4.315 4.500 ( 0.000 19.318 -0.000) 19.318 4.687 ( 0.000 23.142 -0.000) 23.142 5.010 ( 0.000 2.510 -0.000) 2.510 5.058 ( -0.000 -14.151 0.000) 14.151 5.494 ( 0.000 24.022 -0.000) 24.022 5.500 ( -0.000 -6.884 0.000) 6.884 5.674 ( 0.000 15.191 -0.000) 15.191 6.060 ( -0.000 -8.181 0.000) 8.181 6.225 ( -0.000 -1.823 0.000) 1.823 6.270 ( 0.000 0.143 -0.000) 0.143 6.293 ( 0.000 11.253 -0.000) 11.253 6.485 ( 0.000 7.222 -0.000) 7.222 7.069 ( -0.000 -5.812 0.000) 5.812 7.197 ( 0.000 8.604 -0.000) 8.604 7.558 ( -0.000 -2.227 0.000) 2.227 7.592 ( 0.000 5.918 -0.000) 5.918 7.675 ( 0.000 18.410 -0.000) 18.410 7.735 ( 0.000 2.026 -0.000) 2.026 7.977 ( 0.000 3.020 -0.000) 3.020 8.228 ( 0.000 4.840 -0.000) 4.840 8.386 ( -0.000 -4.135 0.000) 4.135 8.589 ( -0.000 -5.113 0.000) 5.113 8.665 ( 0.000 8.448 -0.000) 8.448 9.280 ( -0.000 -13.915 0.000) 13.915 9.523 ( 0.000 3.702 -0.000) 3.702 9.943 ( 0.000 1.394 -0.000) 1.394 9.989 ( -0.000 -8.504 0.000) 8.504 10.057 ( 0.000 0.407 -0.000) 0.407 10.396 ( -0.000 -25.561 0.000) 25.561 10.955 ( 0.000 1.305 -0.000) 1.305 11.213 ( -0.000 -4.515 0.000) 4.515 11.718 ( -0.000 -3.938 0.000) 3.938 11.792 ( -0.000 -4.429 0.000) 4.429 11.834 ( -0.000 -11.405 0.000) 11.405 11.878 ( -0.000 -5.724 0.000) 5.724 12.476 ( -0.000 -1.004 0.000) 1.004 13.296 ( 0.000 16.152 -0.000) 16.152 13.607 ( -0.000 -5.259 0.000) 5.259 14.413 ( -0.000 -11.893 0.000) 11.893 14.539 ( -0.000 -23.131 0.000) 23.131 15.777 ( -0.000 -0.612 0.000) 0.612 16.394 ( 0.000 18.497 -0.000) 18.497 16.943 ( 0.000 15.878 -0.000) 15.878 17.125 ( 0.000 7.331 -0.000) 7.331 17.595 ( -0.000 -9.707 0.000) 9.707 17.956 ( -0.000 -6.744 0.000) 6.744 19.681 ( 0.000 1.810 -0.000) 1.810 20.368 ( -0.000 -1.960 0.000) 1.960 20.703 ( -0.000 -15.375 0.000) 15.375 21.272 ( -0.000 -36.395 0.000) 36.395 21.357 ( 0.000 0.809 -0.000) 0.809 21.491 ( -0.000 -17.339 0.000) 17.339 22.167 ( -0.000 -8.711 0.000) 8.711 23.702 ( 0.000 20.443 -0.000) 20.443 23.878 ( 0.000 15.179 -0.000) 15.179 24.178 ( 0.000 0.674 -0.000) 0.674 24.375 ( 0.000 11.224 -0.000) 11.224 24.827 ( 0.000 11.583 -0.000) 11.583 ======================= Grid point 101 (72/96) ======================= q-point: (-0.23 -0.20 0.63) 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.58e-05 8.58e-05 Number of triplets: 246 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.329 ( -2.868 -4.681 -3.992) 6.788 1.390 ( 0.157 -0.420 5.299) 5.318 1.644 ( 3.305 0.894 -0.095) 3.425 1.664 ( 0.913 -0.604 0.128) 1.102 1.887 ( 1.848 5.538 -7.075) 9.173 2.127 ( -2.165 -0.711 -0.504) 2.334 2.159 ( -0.807 2.189 3.335) 4.070 2.324 ( -3.469 -4.494 18.730) 19.572 3.466 ( 24.087 2.230 -15.057) 28.493 3.571 ( 18.674 6.960 -1.501) 19.986 3.905 ( -5.613 6.587 -9.071) 12.537 4.084 ( -5.974 -1.323 -20.360) 21.260 4.262 ( -4.513 -2.959 1.196) 5.528 4.328 ( -0.716 3.442 -9.608) 10.231 4.467 ( -0.276 8.357 11.757) 14.428 4.545 ( -8.617 -1.109 3.061) 9.212 4.861 ( 8.390 1.790 -4.593) 9.732 5.135 ( 6.746 -1.681 10.132) 12.287 5.314 ( -4.336 0.793 1.688) 4.720 5.470 ( -6.635 -1.386 7.302) 9.963 5.770 ( 0.087 -3.245 -18.744) 19.023 5.969 ( 4.273 -0.041 -8.991) 9.955 6.176 ( -1.439 -7.108 7.215) 10.230 6.361 ( -4.516 -3.118 0.422) 5.504 6.713 ( -3.545 -4.454 -0.756) 5.742 6.888 ( -3.650 -2.777 12.318) 13.144 7.138 ( 4.635 3.186 -4.665) 7.307 7.337 ( 4.254 2.784 8.307) 9.739 7.554 ( -0.724 -2.529 -3.450) 4.339 7.612 ( 2.157 1.856 1.738) 3.334 7.882 ( -4.839 2.024 -8.506) 9.993 7.970 ( 0.586 3.642 2.560) 4.491 8.168 ( 4.747 0.075 -4.179) 6.325 8.318 ( 3.081 -5.421 4.104) 7.465 8.943 ( 3.598 6.178 -11.644) 13.664 9.034 ( 1.145 3.777 1.782) 4.330 9.160 ( 2.055 -0.491 -2.354) 3.163 9.390 ( -1.076 -2.929 14.509) 14.841 9.591 ( 4.439 2.409 -12.805) 13.765 9.744 ( 0.644 4.114 -0.163) 4.167 9.788 ( -2.111 5.415 1.347) 5.966 9.853 ( 3.960 1.116 8.202) 9.176 10.044 ( -6.079 -8.783 -1.833) 10.838 10.181 ( -0.588 0.448 14.958) 14.977 11.103 ( -3.462 0.581 -2.113) 4.097 11.150 ( 3.857 0.308 5.787) 6.961 11.384 ( -0.109 -7.385 -11.232) 13.442 11.710 ( 0.781 -2.973 17.283) 17.554 12.329 ( 0.677 -0.512 -8.463) 8.505 12.451 ( -0.683 2.021 -7.804) 8.090 12.600 ( -1.714 -4.587 10.761) 11.823 12.707 ( -0.088 0.070 11.741) 11.741 15.459 ( -4.742 0.514 -22.072) 22.581 15.830 ( 0.084 6.780 18.696) 19.888 16.182 ( -1.601 -1.884 -24.285) 24.411 16.491 ( -2.274 8.379 -6.360) 10.763 16.627 ( 2.400 -9.279 -4.009) 10.389 16.997 ( -0.501 3.070 16.092) 16.390 18.101 ( -1.320 -5.317 -25.658) 26.237 18.711 ( 7.600 4.146 37.607) 38.591 19.266 ( 13.810 5.439 -3.660) 15.287 19.451 ( -0.829 -4.164 5.975) 7.330 20.010 ( 5.028 9.664 -12.688) 16.723 20.463 ( -1.376 2.474 17.333) 17.562 21.046 ( -20.856 -22.779 -31.921) 44.416 21.560 ( 3.391 -2.903 37.335) 37.601 23.120 ( 12.478 15.887 1.741) 20.276 23.276 ( 1.848 -0.587 -1.057) 2.209 23.673 ( -2.795 -0.103 -17.353) 17.577 24.098 ( -11.943 -8.396 7.450) 16.390 24.633 ( 0.085 1.265 -4.807) 4.971 24.711 ( 0.441 2.499 2.699) 3.704 ======================= Grid point 105 (73/96) ======================= q-point: (-0.21 -0.21 0.21) 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.58e-05 8.58e-05 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.649 ( -0.000 -0.000 -16.356) 16.356 1.350 ( -0.000 -0.000 -9.194) 9.194 1.648 ( -0.000 -0.000 -0.632) 0.632 1.869 ( 0.000 0.000 3.858) 3.858 1.954 ( -0.000 -0.000 -7.957) 7.957 1.954 ( -0.000 -0.000 -22.027) 22.027 2.302 ( -0.000 -0.000 -3.929) 3.929 2.506 ( 0.000 0.000 0.095) 0.095 2.663 ( 0.000 0.000 11.526) 11.526 3.030 ( -0.000 -0.000 -6.278) 6.278 3.497 ( -0.000 -0.000 -42.091) 42.091 3.532 ( 0.000 0.000 2.401) 2.401 4.069 ( -0.000 -0.000 -22.749) 22.749 4.157 ( -0.000 -0.000 -4.141) 4.141 4.326 ( 0.000 0.000 6.003) 6.003 4.722 ( -0.000 -0.000 -14.497) 14.497 4.893 ( -0.000 -0.000 -28.318) 28.318 5.110 ( -0.000 -0.000 -5.476) 5.476 5.227 ( -0.000 -0.000 -9.072) 9.072 5.557 ( 0.000 0.000 4.250) 4.250 6.202 ( -0.000 -0.000 -20.814) 20.814 6.207 ( 0.000 0.000 13.951) 13.951 6.462 ( -0.000 -0.000 -13.708) 13.708 6.644 ( 0.000 0.000 7.724) 7.724 6.779 ( 0.000 0.000 0.178) 0.178 6.892 ( 0.000 0.000 5.684) 5.684 6.911 ( -0.000 -0.000 -11.443) 11.443 7.169 ( -0.000 -0.000 -7.004) 7.004 7.223 ( 0.000 0.000 12.236) 12.236 7.401 ( -0.000 -0.000 -3.371) 3.371 7.812 ( -0.000 -0.000 -18.872) 18.872 8.106 ( 0.000 0.000 7.048) 7.048 8.165 ( -0.000 -0.000 -9.667) 9.667 8.360 ( -0.000 -0.000 -10.999) 10.999 8.499 ( 0.000 0.000 1.068) 1.068 8.701 ( 0.000 0.000 4.088) 4.088 8.867 ( -0.000 -0.000 -16.558) 16.558 9.226 ( -0.000 -0.000 -4.464) 4.464 9.626 ( -0.000 -0.000 -7.939) 7.939 9.825 ( 0.000 0.000 15.140) 15.140 9.906 ( 0.000 0.000 2.003) 2.003 10.002 ( 0.000 0.000 13.206) 13.206 10.121 ( -0.000 -0.000 -0.601) 0.601 10.364 ( 0.000 0.000 21.551) 21.551 10.750 ( 0.000 0.000 5.285) 5.285 11.064 ( 0.000 0.000 29.688) 29.688 11.399 ( 0.000 0.000 8.073) 8.073 11.870 ( 0.000 0.000 0.666) 0.666 12.337 ( -0.000 -0.000 -5.541) 5.541 12.418 ( -0.000 -0.000 -11.885) 11.885 12.603 ( 0.000 0.000 2.214) 2.214 12.653 ( 0.000 0.000 24.683) 24.683 15.381 ( 0.000 0.000 17.843) 17.843 16.157 ( 0.000 0.000 14.361) 14.361 16.525 ( -0.000 -0.000 -22.256) 22.256 16.568 ( -0.000 -0.000 -33.661) 33.661 16.596 ( -0.000 -0.000 -15.883) 15.883 17.414 ( -0.000 -0.000 -18.029) 18.029 17.508 ( 0.000 0.000 18.408) 18.408 18.122 ( 0.000 0.000 33.628) 33.628 18.843 ( -0.000 -0.000 -25.813) 25.813 19.520 ( 0.000 0.000 2.671) 2.671 20.255 ( 0.000 0.000 17.296) 17.296 20.331 ( 0.000 0.000 25.155) 25.155 20.644 ( 0.000 0.000 18.268) 18.268 21.876 ( 0.000 0.000 18.868) 18.868 22.705 ( -0.000 -0.000 -2.976) 2.976 23.414 ( -0.000 -0.000 -21.744) 21.744 24.091 ( -0.000 -0.000 -3.192) 3.192 24.141 ( -0.000 -0.000 -18.006) 18.006 24.672 ( -0.000 -0.000 -1.228) 1.228 24.895 ( -0.000 -0.000 -8.464) 8.464 ======================= Grid point 106 (74/96) ======================= q-point: (-0.36 -0.21 0.36) 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.58e-05 8.58e-05 Number of triplets: 147 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.263 ( 7.090 0.000 -31.055) 31.854 1.485 ( 1.765 0.000 -2.873) 3.372 1.657 ( -0.246 -0.000 -0.533) 0.587 1.779 ( -0.475 0.000 4.211) 4.237 1.970 ( -8.892 -0.000 2.382) 9.206 2.276 ( -10.226 -0.000 -1.978) 10.415 2.446 ( 3.370 0.000 -14.824) 15.202 2.473 ( -3.168 -0.000 1.418) 3.471 2.494 ( 6.138 0.000 -8.399) 10.403 3.189 ( 3.754 0.000 -6.655) 7.641 3.493 ( -2.828 -0.000 -1.447) 3.177 4.165 ( -5.210 -0.000 10.275) 11.520 4.232 ( -1.513 -0.000 -20.060) 20.117 4.278 ( 8.488 0.000 -3.238) 9.085 4.492 ( 0.985 -0.000 -18.138) 18.165 4.920 ( -3.198 -0.000 -2.272) 3.923 5.125 ( -4.239 -0.000 -3.303) 5.374 5.195 ( -8.895 -0.000 -0.103) 8.895 5.510 ( -1.879 -0.000 -1.512) 2.412 5.689 ( 18.264 0.000 -23.229) 29.550 5.887 ( -5.588 -0.000 3.620) 6.658 6.122 ( -8.993 -0.000 19.062) 21.077 6.567 ( 3.061 0.000 3.998) 5.035 6.576 ( -7.145 -0.000 -10.860) 13.000 6.762 ( 2.142 0.000 3.975) 4.516 6.911 ( 4.062 0.000 -9.029) 9.900 7.067 ( -4.927 -0.000 -2.309) 5.441 7.274 ( 6.014 0.000 -8.489) 10.403 7.379 ( 11.529 0.000 -3.581) 12.072 7.778 ( 16.851 0.000 -11.502) 20.403 7.929 ( -1.501 -0.000 6.325) 6.501 8.092 ( -15.096 -0.000 -15.744) 21.812 8.277 ( -8.748 -0.000 -12.774) 15.482 8.523 ( 9.820 0.000 5.804) 11.407 8.680 ( -0.903 -0.000 0.468) 1.017 8.811 ( 8.190 0.000 -14.310) 16.487 9.174 ( 6.681 0.000 -10.261) 12.244 9.243 ( -2.591 -0.000 2.808) 3.821 9.363 ( -18.041 -0.000 10.915) 21.086 9.476 ( -9.265 -0.000 14.003) 16.791 9.773 ( 3.328 0.000 1.883) 3.824 9.963 ( -3.812 -0.000 5.039) 6.319 10.091 ( 0.778 0.000 10.506) 10.535 10.180 ( 1.896 -0.000 -9.286) 9.477 10.565 ( 14.119 0.000 8.344) 16.400 10.872 ( 18.828 0.000 12.105) 22.384 11.285 ( -4.469 -0.000 -1.873) 4.846 11.870 ( -0.114 -0.000 -0.709) 0.718 12.197 ( 4.037 0.000 21.837) 22.207 12.480 ( -2.142 -0.000 -5.208) 5.631 12.626 ( 4.405 0.000 -4.871) 6.567 12.645 ( 0.673 -0.000 -9.588) 9.612 15.008 ( 0.784 0.000 19.090) 19.106 15.747 ( 2.914 0.000 26.688) 26.847 16.564 ( -20.645 -0.000 2.019) 20.743 16.923 ( -3.894 -0.000 -20.095) 20.468 17.000 ( -3.252 -0.000 9.145) 9.706 17.050 ( -0.847 -0.000 -12.129) 12.159 17.710 ( 3.589 0.000 11.069) 11.637 18.239 ( 24.870 0.000 -23.299) 34.078 19.320 ( -11.248 -0.000 -22.262) 24.943 19.536 ( 2.439 0.000 -8.733) 9.067 19.545 ( -9.340 -0.000 21.268) 23.228 20.347 ( 2.951 0.000 7.231) 7.810 20.477 ( 35.956 0.000 18.923) 40.632 21.511 ( -4.103 -0.000 15.269) 15.811 22.638 ( -4.438 -0.000 1.538) 4.697 23.819 ( 1.963 -0.000 -13.435) 13.577 23.986 ( -13.638 -0.000 -4.866) 14.480 24.531 ( 2.265 -0.000 -12.340) 12.546 24.661 ( -1.382 -0.000 1.109) 1.772 24.925 ( -8.307 -0.000 -2.876) 8.790 ======================= Grid point 107 (75/96) ======================= q-point: ( 0.50 -0.21 -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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.58e-05 8.58e-05 Number of triplets: 147 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.559 ( 3.386 0.000 -0.149) 3.389 1.656 ( -0.244 -0.000 0.729) 0.769 1.681 ( -0.286 0.000 2.432) 2.449 1.724 ( -1.562 -0.000 6.019) 6.218 2.017 ( 1.920 -0.000 -28.885) 28.949 2.124 ( -9.374 -0.000 -2.383) 9.673 2.358 ( -6.199 -0.000 -2.768) 6.789 2.790 ( 25.657 0.000 0.978) 25.676 3.058 ( 3.598 -0.000 -25.226) 25.481 3.294 ( -8.336 -0.000 15.363) 17.479 3.451 ( 15.217 0.000 -1.224) 15.267 3.960 ( -0.951 -0.000 -5.100) 5.188 4.085 ( -20.791 -0.000 3.548) 21.092 4.479 ( -16.731 -0.000 17.352) 24.104 4.651 ( 1.505 0.000 -2.069) 2.558 4.765 ( -9.760 -0.000 -13.639) 16.771 4.867 ( -9.283 -0.000 3.463) 9.908 5.154 ( -1.618 -0.000 -5.860) 6.079 5.464 ( -3.421 -0.000 -0.298) 3.434 5.874 ( 0.149 0.000 3.525) 3.528 5.897 ( -1.236 -0.000 -7.163) 7.268 6.394 ( -0.633 0.000 7.249) 7.277 6.396 ( 10.105 0.000 -11.306) 15.163 6.648 ( -14.647 -0.000 -8.492) 16.931 6.791 ( 6.089 0.000 -0.467) 6.107 6.969 ( 6.150 0.000 0.520) 6.172 7.195 ( 3.639 0.000 -4.924) 6.123 7.482 ( -5.397 -0.000 -7.759) 9.451 7.500 ( -7.246 -0.000 7.482) 10.415 7.716 ( -10.330 -0.000 7.262) 12.627 8.003 ( -16.269 -0.000 -10.699) 19.472 8.130 ( 8.508 0.000 0.734) 8.540 8.277 ( 2.229 0.000 13.579) 13.760 8.435 ( -12.714 -0.000 12.852) 18.078 8.637 ( 9.208 0.000 -12.364) 15.416 8.891 ( -2.310 0.000 13.528) 13.724 8.943 ( 6.675 0.000 4.077) 7.822 9.173 ( -8.041 -0.000 0.840) 8.085 9.209 ( 13.094 0.000 5.119) 14.059 9.620 ( 7.888 0.000 -15.537) 17.425 9.774 ( -9.600 -0.000 0.989) 9.650 9.831 ( 2.486 0.000 0.735) 2.593 10.096 ( 8.176 0.000 -7.928) 11.389 10.646 ( 2.480 -0.000 -23.670) 23.799 10.760 ( 10.235 0.000 -1.171) 10.302 11.127 ( 22.489 0.000 4.733) 22.981 11.297 ( -0.961 -0.000 -5.298) 5.384 11.904 ( -0.309 -0.000 -2.640) 2.658 11.960 ( 8.566 0.000 13.350) 15.862 12.447 ( -2.538 -0.000 1.312) 2.857 12.867 ( 1.125 -0.000 -11.409) 11.464 12.951 ( 4.262 0.000 -15.519) 16.094 14.658 ( 3.543 0.000 18.619) 18.953 15.209 ( 6.029 0.000 34.302) 34.828 16.101 ( -7.255 -0.000 12.581) 14.523 16.779 ( -14.724 -0.000 -2.253) 14.895 17.036 ( -5.196 -0.000 3.916) 6.506 17.161 ( -7.676 -0.000 -12.224) 14.434 17.657 ( 7.318 0.000 5.049) 8.891 19.138 ( 3.866 0.000 12.766) 13.339 19.282 ( 24.914 0.000 -28.396) 37.777 19.396 ( 2.361 0.000 -0.848) 2.509 19.787 ( -9.412 -0.000 -18.599) 20.845 20.606 ( 5.044 0.000 -19.421) 20.066 20.820 ( 35.956 0.000 16.958) 39.754 21.043 ( -12.576 -0.000 14.850) 19.459 22.566 ( 5.088 0.000 3.864) 6.389 23.792 ( -15.582 -0.000 -4.163) 16.129 24.015 ( -2.248 -0.000 -6.561) 6.935 24.571 ( -3.178 -0.000 3.682) 4.864 24.597 ( -10.855 -0.000 2.266) 11.090 24.830 ( -7.456 -0.000 -8.304) 11.160 ======================= Grid point 108 (76/96) ======================= q-point: ( 0.36 -0.21 -0.36) 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.58e-05 8.58e-05 Number of triplets: 147 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.606 ( -1.405 -0.000 1.051) 1.754 1.627 ( 2.776 0.000 0.162) 2.781 1.660 ( 1.058 0.000 1.723) 2.022 1.672 ( -0.234 -0.000 -0.314) 0.391 2.052 ( -3.578 -0.000 -2.857) 4.578 2.199 ( 0.260 0.000 2.988) 3.000 2.545 ( -14.137 -0.000 -9.961) 17.294 2.938 ( -11.633 -0.000 -14.595) 18.664 3.166 ( 1.463 0.000 12.452) 12.537 3.352 ( 25.367 0.000 3.404) 25.595 3.521 ( -21.926 -0.000 21.688) 30.840 3.813 ( -26.838 -0.000 -30.608) 40.708 4.011 ( 29.399 0.000 -5.391) 29.889 4.012 ( -0.879 0.000 7.846) 7.895 4.295 ( -18.625 -0.000 12.166) 22.247 4.676 ( -13.391 -0.000 -2.871) 13.696 5.033 ( -7.278 -0.000 -15.852) 17.443 5.212 ( -0.058 0.000 0.995) 0.997 5.563 ( 11.222 0.000 -5.816) 12.640 5.677 ( -6.198 -0.000 8.037) 10.149 5.879 ( -21.487 -0.000 -2.787) 21.667 6.209 ( -8.231 -0.000 14.874) 17.000 6.369 ( 2.644 0.000 1.446) 3.014 6.527 ( -21.227 -0.000 8.842) 22.994 6.643 ( 4.848 0.000 -1.342) 5.031 6.796 ( -23.374 -0.000 17.142) 28.986 7.345 ( 10.326 0.000 -16.510) 19.474 7.457 ( 13.565 0.000 -4.577) 14.317 7.467 ( -5.975 -0.000 0.482) 5.994 7.572 ( -10.613 -0.000 -12.029) 16.041 7.777 ( -13.070 -0.000 1.937) 13.213 8.149 ( -8.084 -0.000 -6.004) 10.070 8.181 ( 12.207 0.000 10.092) 15.839 8.229 ( 1.181 0.000 3.069) 3.289 8.605 ( -6.482 -0.000 10.645) 12.463 9.026 ( -8.488 -0.000 -2.412) 8.824 9.036 ( 10.722 0.000 -7.272) 12.955 9.119 ( 15.444 0.000 3.644) 15.869 9.291 ( 8.829 0.000 6.109) 10.736 9.469 ( -15.009 -0.000 3.441) 15.398 9.904 ( 7.687 0.000 2.670) 8.137 10.027 ( 8.759 0.000 -7.713) 11.671 10.589 ( 13.607 0.000 -15.908) 20.933 10.888 ( -15.109 -0.000 -10.275) 18.272 11.000 ( 9.700 0.000 -1.492) 9.814 11.457 ( 17.160 0.000 1.288) 17.209 11.566 ( 9.133 0.000 -11.053) 14.338 11.906 ( 8.632 0.000 7.033) 11.135 12.016 ( 5.519 0.000 -2.227) 5.951 12.367 ( -2.916 -0.000 0.909) 3.055 13.115 ( -3.635 -0.000 -12.177) 12.708 13.376 ( 2.725 -0.000 -19.076) 19.270 14.441 ( 10.439 0.000 14.014) 17.475 14.629 ( 7.167 0.000 33.132) 33.898 15.797 ( -1.897 -0.000 8.906) 9.106 16.548 ( -16.079 -0.000 -4.577) 16.717 16.788 ( -7.858 -0.000 5.853) 9.798 17.147 ( -11.049 -0.000 -4.650) 11.987 17.749 ( 9.532 0.000 2.731) 9.915 19.125 ( 10.382 0.000 3.821) 11.063 19.436 ( -4.341 -0.000 0.044) 4.341 19.997 ( -6.780 -0.000 -17.665) 18.922 20.273 ( 21.663 0.000 -23.224) 31.759 20.503 ( -2.474 0.000 17.121) 17.298 21.076 ( -2.060 -0.000 -19.267) 19.377 21.115 ( 32.107 0.000 17.898) 36.758 22.769 ( 20.618 0.000 -0.320) 20.620 23.543 ( -15.458 -0.000 0.324) 15.461 24.033 ( -6.220 -0.000 -3.811) 7.295 24.253 ( -17.200 -0.000 0.175) 17.200 24.380 ( -5.618 -0.000 6.585) 8.656 24.835 ( -7.142 -0.000 -4.342) 8.359 ======================= Grid point 109 (77/96) ======================= q-point: ( 0.21 -0.21 -0.21) 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.58e-05 8.58e-05 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.501 ( -9.988 -0.000 -0.000) 9.988 1.617 ( -4.209 -0.000 -0.000) 4.209 1.662 ( 0.111 0.000 0.000) 0.111 1.663 ( -1.795 -0.000 -0.000) 1.795 2.046 ( -1.780 -0.000 -0.000) 1.780 2.100 ( -4.863 -0.000 -0.000) 4.863 2.354 ( -7.940 -0.000 -0.000) 7.940 2.488 ( -32.356 -0.000 -0.000) 32.356 3.007 ( 4.902 0.000 0.000) 4.902 3.409 ( -26.071 -0.000 -0.000) 26.071 3.439 ( -13.589 -0.000 -0.000) 13.589 3.534 ( -37.086 -0.000 -0.000) 37.086 3.906 ( 24.031 0.000 0.000) 24.031 3.993 ( 13.851 0.000 0.000) 13.851 4.465 ( -4.537 -0.000 -0.000) 4.537 4.684 ( 15.632 0.000 0.000) 15.632 5.071 ( -16.685 -0.000 -0.000) 16.685 5.118 ( -3.271 -0.000 -0.000) 3.271 5.335 ( -9.015 -0.000 -0.000) 9.015 5.404 ( -8.009 -0.000 -0.000) 8.009 5.682 ( -22.409 -0.000 -0.000) 22.409 6.047 ( 20.259 0.000 0.000) 20.259 6.065 ( -32.470 -0.000 -0.000) 32.470 6.333 ( -6.533 -0.000 -0.000) 6.533 6.343 ( 2.201 0.000 0.000) 2.201 6.765 ( 4.888 0.000 0.000) 4.888 7.329 ( -5.559 -0.000 -0.000) 5.559 7.461 ( -12.049 -0.000 -0.000) 12.049 7.567 ( -11.430 -0.000 -0.000) 11.430 7.695 ( 4.233 0.000 0.000) 4.233 7.703 ( 4.685 0.000 0.000) 4.685 8.101 ( -13.626 -0.000 -0.000) 13.626 8.151 ( 0.738 0.000 0.000) 0.738 8.300 ( -2.826 -0.000 -0.000) 2.826 8.412 ( 22.197 0.000 0.000) 22.197 8.906 ( -9.086 -0.000 -0.000) 9.086 9.099 ( -18.078 -0.000 -0.000) 18.078 9.275 ( 2.795 0.000 0.000) 2.795 9.293 ( 5.671 0.000 0.000) 5.671 9.436 ( 16.256 0.000 0.000) 16.256 10.093 ( 15.597 0.000 0.000) 15.597 10.273 ( 9.347 0.000 0.000) 9.347 10.626 ( -19.211 -0.000 -0.000) 19.211 11.066 ( 3.555 0.000 0.000) 3.555 11.162 ( 17.272 0.000 0.000) 17.272 11.700 ( 9.306 0.000 0.000) 9.306 11.791 ( -2.425 -0.000 -0.000) 2.425 12.048 ( 14.057 0.000 0.000) 14.057 12.205 ( 9.152 0.000 0.000) 9.152 12.305 ( -2.889 -0.000 -0.000) 2.889 13.108 ( -9.528 -0.000 -0.000) 9.528 13.688 ( 0.355 0.000 0.000) 0.355 14.350 ( 9.328 0.000 0.000) 9.328 14.551 ( 15.692 0.000 0.000) 15.692 15.669 ( -1.758 -0.000 -0.000) 1.758 16.335 ( -11.408 -0.000 -0.000) 11.408 16.537 ( -11.251 -0.000 -0.000) 11.251 16.971 ( -10.827 -0.000 -0.000) 10.827 17.890 ( 8.044 0.000 0.000) 8.044 19.044 ( -32.010 -0.000 -0.000) 32.010 19.300 ( 10.091 0.000 0.000) 10.091 20.289 ( 3.023 0.000 0.000) 3.023 20.393 ( 20.331 0.000 0.000) 20.331 20.868 ( 12.229 0.000 0.000) 12.229 21.231 ( -3.511 -0.000 -0.000) 3.511 21.565 ( 38.729 0.000 0.000) 38.729 23.200 ( -17.638 -0.000 -0.000) 17.638 23.278 ( 26.206 0.000 0.000) 26.206 23.906 ( -10.661 -0.000 -0.000) 10.661 23.980 ( -14.046 -0.000 -0.000) 14.046 24.168 ( -6.042 -0.000 -0.000) 6.042 24.741 ( -6.571 -0.000 -0.000) 6.571 ======================= Grid point 112 (78/96) ======================= q-point: ( 0.37 -0.23 0.23) 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.58e-05 8.58e-05 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.334 ( 0.000 7.834 5.752) 9.719 1.406 ( 0.000 12.090 10.270) 15.863 1.582 ( -0.000 -0.734 -0.143) 0.748 1.876 ( -0.000 -3.502 1.321) 3.743 2.223 ( 0.000 13.562 9.982) 16.840 2.253 ( -0.000 1.655 -3.446) 3.822 2.342 ( 0.000 0.111 1.148) 1.154 2.474 ( 0.000 7.611 3.390) 8.332 3.200 ( -0.000 -7.318 -27.795) 28.742 3.209 ( -0.000 1.855 -5.838) 6.126 3.823 ( -0.000 -4.177 -5.477) 6.888 3.827 ( 0.000 22.109 0.317) 22.111 4.149 ( 0.000 28.361 12.853) 31.138 4.256 ( 0.000 12.948 14.233) 19.242 4.686 ( 0.000 12.562 -14.352) 19.073 4.705 ( -0.000 -3.090 -5.270) 6.109 4.977 ( 0.000 11.978 -7.685) 14.231 5.100 ( 0.000 3.903 -3.138) 5.009 5.488 ( -0.000 -6.175 8.016) 10.119 5.729 ( 0.000 7.248 -8.514) 11.182 5.884 ( 0.000 14.306 -8.414) 16.596 6.265 ( 0.000 0.230 10.008) 10.011 6.348 ( 0.000 0.241 5.702) 5.707 6.442 ( 0.000 21.502 0.778) 21.516 6.620 ( 0.000 4.049 18.068) 18.516 6.927 ( -0.000 -4.859 -0.119) 4.861 6.930 ( 0.000 15.193 11.058) 18.791 7.372 ( 0.000 1.982 6.167) 6.477 7.536 ( 0.000 4.290 -1.537) 4.557 7.591 ( 0.000 -0.184 4.561) 4.565 7.687 ( -0.000 -2.767 -8.188) 8.643 7.815 ( 0.000 14.931 -15.919) 21.825 8.002 ( 0.000 5.314 5.150) 7.400 8.181 ( 0.000 7.103 -4.258) 8.282 8.612 ( 0.000 4.130 14.308) 14.892 8.690 ( 0.000 14.485 -0.293) 14.488 8.876 ( 0.000 3.598 3.239) 4.841 9.125 ( -0.000 -2.769 -0.362) 2.792 9.553 ( -0.000 -21.724 -10.136) 23.972 9.587 ( 0.000 0.574 4.775) 4.809 9.779 ( -0.000 -10.172 -2.974) 10.598 10.061 ( -0.000 -9.431 2.485) 9.752 10.158 ( -0.000 -0.648 -0.094) 0.655 10.798 ( -0.000 -1.388 -11.365) 11.449 10.980 ( -0.000 -15.817 -4.965) 16.579 11.354 ( -0.000 -16.172 -17.263) 23.655 11.552 ( -0.000 -3.024 -1.338) 3.307 11.821 ( 0.000 0.771 3.990) 4.064 11.833 ( -0.000 -8.615 -0.005) 8.615 12.459 ( 0.000 0.907 1.033) 1.375 13.251 ( -0.000 2.784 -18.677) 18.883 13.285 ( -0.000 -5.807 -16.111) 17.125 14.479 ( -0.000 -13.327 23.662) 27.157 14.578 ( 0.000 -11.826 31.046) 33.222 15.889 ( 0.000 -0.403 12.572) 12.579 16.744 ( 0.000 14.079 3.585) 14.528 17.251 ( 0.000 9.707 3.722) 10.396 17.360 ( 0.000 17.617 -4.356) 18.148 17.384 ( -0.000 -9.352 -2.364) 9.646 17.934 ( 0.000 1.806 8.632) 8.819 19.609 ( -0.000 -6.951 -13.220) 14.936 19.883 ( -0.000 1.318 -26.962) 26.994 20.256 ( -0.000 -16.545 -9.337) 18.998 20.755 ( -0.000 -35.679 14.861) 38.650 21.094 ( -0.000 -0.758 -24.915) 24.927 21.423 ( -0.000 -10.424 11.953) 15.860 22.135 ( 0.000 -2.738 10.823) 11.163 23.751 ( 0.000 16.094 -15.663) 22.458 24.279 ( 0.000 6.810 3.548) 7.679 24.342 ( 0.000 4.675 10.516) 11.508 24.596 ( 0.000 9.699 1.972) 9.898 24.983 ( 0.000 9.146 -4.859) 10.357 ======================= Grid point 113 (79/96) ======================= q-point: ( 0.23 -0.23 0.37) 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.58e-05 8.58e-05 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.259 ( 1.503 7.018 -0.000) 7.178 1.327 ( 6.195 15.030 -0.000) 16.256 1.596 ( 1.240 -0.796 0.000) 1.474 1.788 ( -4.103 -3.496 0.000) 5.390 2.107 ( 0.725 8.959 -0.000) 8.988 2.310 ( 0.845 0.619 -0.000) 1.047 2.316 ( -2.923 8.172 -0.000) 8.679 2.430 ( 0.892 5.092 -0.000) 5.170 3.176 ( -3.930 5.702 -0.000) 6.925 3.386 ( -27.169 40.772 -0.000) 48.995 3.609 ( -10.825 -2.328 -0.000) 11.072 3.797 ( 3.300 -5.647 0.000) 6.541 3.884 ( -3.785 -18.786 0.000) 19.163 4.396 ( 10.974 27.560 -0.000) 29.665 4.908 ( 3.277 27.388 -0.000) 27.583 4.941 ( -6.169 -1.181 -0.000) 6.281 4.985 ( 11.477 -9.387 0.000) 14.827 5.281 ( -4.933 4.375 -0.000) 6.594 5.363 ( 11.729 8.968 -0.000) 14.765 5.590 ( -20.290 8.420 -0.000) 21.968 5.903 ( -5.038 11.523 -0.000) 12.576 6.086 ( -8.290 5.267 -0.000) 9.821 6.116 ( -4.785 16.724 -0.000) 17.395 6.502 ( 8.284 11.862 -0.000) 14.468 6.557 ( 10.498 8.729 -0.000) 13.653 6.971 ( 10.312 6.249 -0.000) 12.058 7.003 ( 10.425 -2.652 0.000) 10.757 7.193 ( -5.095 -2.756 0.000) 5.792 7.555 ( 2.064 0.282 0.000) 2.083 7.645 ( -9.027 4.930 -0.000) 10.285 7.759 ( 14.423 3.044 0.000) 14.741 7.849 ( -10.911 -1.909 -0.000) 11.076 8.113 ( 2.854 10.728 -0.000) 11.101 8.278 ( 1.117 -0.920 0.000) 1.448 8.477 ( 12.427 2.080 0.000) 12.600 8.761 ( -6.770 8.008 -0.000) 10.487 8.865 ( 4.865 5.917 -0.000) 7.660 9.208 ( 12.442 2.090 0.000) 12.616 9.517 ( -2.982 -2.459 0.000) 3.865 9.670 ( 0.570 -28.723 0.000) 28.729 9.842 ( 1.336 -9.123 0.000) 9.221 10.094 ( 9.856 4.502 -0.000) 10.835 10.268 ( 9.555 -2.548 0.000) 9.889 10.703 ( -14.050 -18.646 0.000) 23.347 11.056 ( -0.479 -0.664 0.000) 0.819 11.550 ( -4.476 -7.678 0.000) 8.887 11.669 ( -2.141 -9.199 0.000) 9.445 11.737 ( 4.249 -6.836 0.000) 8.049 11.860 ( 9.262 -1.209 0.000) 9.341 12.459 ( -0.086 -0.729 0.000) 0.734 13.449 ( -4.623 2.067 -0.000) 5.064 13.600 ( 2.947 3.634 -0.000) 4.679 14.000 ( -6.369 -11.402 0.000) 13.060 14.360 ( 11.116 -16.344 0.000) 19.766 15.750 ( -1.092 -0.536 0.000) 1.216 16.694 ( -0.493 11.795 -0.000) 11.805 17.065 ( -18.007 9.087 -0.000) 20.169 17.229 ( 2.104 9.271 -0.000) 9.507 17.651 ( 4.759 -4.317 0.000) 6.425 17.960 ( 15.949 6.717 -0.000) 17.306 19.589 ( -6.141 -6.513 0.000) 8.951 20.281 ( -2.962 -3.623 0.000) 4.680 20.502 ( 6.302 -10.525 0.000) 12.267 20.542 ( -2.522 -25.651 0.000) 25.774 21.273 ( 4.611 -17.572 0.000) 18.167 21.356 ( -1.804 1.159 -0.000) 2.144 22.139 ( 15.153 -11.694 0.000) 19.141 23.849 ( -13.574 11.405 -0.000) 17.729 24.139 ( -1.691 11.791 -0.000) 11.912 24.164 ( -7.515 7.322 -0.000) 10.492 24.595 ( 1.259 6.980 -0.000) 7.093 25.007 ( -2.945 8.580 -0.000) 9.072 ======================= Grid point 126 (80/96) ======================= q-point: ( 0.54 -0.26 0.26) 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.58e-05 8.58e-05 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.538 ( -0.000 -0.793 -1.531) 1.724 1.571 ( 0.000 4.687 2.312) 5.227 1.670 ( 0.000 2.397 4.620) 5.205 1.841 ( -0.000 1.033 -7.638) 7.708 2.092 ( -0.000 -7.680 -6.508) 10.067 2.321 ( -0.000 -0.336 -1.710) 1.742 2.440 ( 0.000 3.331 -3.742) 5.010 2.596 ( -0.000 -7.243 -8.802) 11.399 2.912 ( 0.000 11.522 -4.444) 12.349 3.093 ( 0.000 7.372 -2.347) 7.736 3.689 ( 0.000 -5.750 11.100) 12.501 3.844 ( -0.000 -5.497 -11.671) 12.901 4.366 ( 0.000 8.089 -6.797) 10.566 4.570 ( -0.000 1.765 -7.507) 7.712 4.845 ( -0.000 0.010 -16.107) 16.107 4.911 ( 0.000 16.956 3.044) 17.227 5.032 ( 0.000 13.131 -4.668) 13.936 5.083 ( 0.000 4.671 13.174) 13.977 5.527 ( -0.000 -6.778 7.363) 10.008 5.799 ( 0.000 11.883 -9.364) 15.129 5.882 ( 0.000 4.442 -5.966) 7.438 6.197 ( -0.000 -3.609 3.325) 4.907 6.287 ( -0.000 -11.089 0.862) 11.122 6.718 ( 0.000 0.195 0.305) 0.362 6.730 ( -0.000 -2.949 0.604) 3.010 6.973 ( 0.000 7.044 -4.654) 8.443 7.262 ( -0.000 4.232 -7.931) 8.989 7.460 ( 0.000 6.921 2.570) 7.383 7.534 ( -0.000 -3.569 -5.689) 6.716 7.547 ( 0.000 6.929 -9.523) 11.778 7.878 ( -0.000 -4.091 0.024) 4.091 7.931 ( 0.000 18.339 7.639) 19.866 8.240 ( 0.000 -2.848 13.148) 13.453 8.571 ( 0.000 31.304 8.911) 32.548 8.805 ( -0.000 -7.024 -8.129) 10.743 8.931 ( -0.000 -18.494 -1.994) 18.601 8.998 ( 0.000 8.094 11.713) 14.238 9.127 ( 0.000 6.591 -2.465) 7.037 9.204 ( 0.000 23.425 7.189) 24.504 9.451 ( -0.000 -10.092 -9.299) 13.723 9.742 ( 0.000 -1.901 7.191) 7.438 9.951 ( -0.000 -0.268 -4.423) 4.431 10.119 ( -0.000 -5.824 4.841) 7.573 10.466 ( -0.000 -17.776 -8.277) 19.608 10.575 ( -0.000 -24.002 -4.743) 24.467 10.643 ( -0.000 4.515 -16.629) 17.231 11.539 ( -0.000 -7.745 -9.239) 12.057 11.681 ( 0.000 2.264 12.444) 12.649 11.906 ( 0.000 0.235 3.157) 3.166 12.535 ( 0.000 -0.813 3.824) 3.910 12.863 ( -0.000 -3.242 -16.350) 16.668 12.876 ( -0.000 -3.852 -12.794) 13.362 14.712 ( 0.000 -10.748 21.633) 24.156 15.113 ( 0.000 -3.282 33.108) 33.270 16.281 ( 0.000 0.410 25.783) 25.787 17.042 ( 0.000 8.489 1.415) 8.606 17.154 ( -0.000 -5.264 -5.475) 7.595 17.307 ( -0.000 1.807 -14.737) 14.847 17.501 ( 0.000 5.415 6.247) 8.268 18.611 ( 0.000 30.429 20.809) 36.864 18.771 ( -0.000 -3.042 -42.944) 43.051 19.751 ( 0.000 2.549 -1.247) 2.838 19.834 ( -0.000 -17.633 1.027) 17.663 20.402 ( -0.000 -4.464 -35.742) 36.019 20.417 ( -0.000 -29.704 13.894) 32.793 21.445 ( -0.000 -7.636 8.434) 11.377 22.422 ( 0.000 3.499 13.176) 13.633 23.801 ( 0.000 18.161 -12.147) 21.849 24.310 ( -0.000 -8.662 1.713) 8.829 24.587 ( 0.000 4.859 3.394) 5.927 24.728 ( 0.000 3.709 -5.623) 6.736 25.006 ( 0.000 4.800 -3.780) 6.110 ======================= Grid point 127 (81/96) ======================= q-point: ( 0.40 -0.26 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.58e-05 8.58e-05 Number of triplets: 246 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.448 ( -1.675 6.193 5.319) 8.334 1.563 ( 1.319 2.042 1.156) 2.692 1.595 ( 1.063 1.880 2.437) 3.256 1.724 ( -2.021 -4.946 2.586) 5.936 2.241 ( -1.618 -0.837 -0.772) 1.979 2.349 ( -5.926 4.616 -2.482) 7.911 2.476 ( 3.873 1.560 -1.183) 4.340 2.674 ( 2.006 17.252 15.922) 23.562 2.990 ( -4.183 -3.325 -28.893) 29.383 3.262 ( 4.259 0.814 -7.537) 8.696 3.491 ( -3.371 -17.682 4.955) 18.670 3.982 ( -3.476 4.872 4.380) 7.416 4.295 ( -23.651 25.282 7.297) 35.381 4.672 ( 8.705 -5.514 -8.292) 13.226 4.743 ( -7.863 0.187 -9.791) 12.559 4.892 ( -5.697 18.028 1.754) 18.988 5.165 ( -2.132 7.093 -2.129) 7.706 5.223 ( 3.299 -8.152 -8.529) 12.251 5.354 ( 0.159 1.899 0.491) 1.968 5.782 ( -0.115 4.051 5.650) 6.954 6.026 ( -4.875 -2.643 -1.110) 5.656 6.210 ( 0.753 12.625 -14.809) 19.475 6.495 ( 5.640 -5.226 8.217) 11.253 6.666 ( 3.447 7.801 -2.862) 8.996 6.873 ( 9.171 -2.716 -1.897) 9.751 7.033 ( -1.084 3.703 9.584) 10.332 7.110 ( 4.847 18.928 6.943) 20.735 7.191 ( -18.912 8.133 5.024) 21.191 7.599 ( -1.650 3.972 -3.459) 5.520 7.661 ( -4.227 -2.500 -0.131) 4.913 7.801 ( -3.008 -4.234 5.926) 7.880 7.903 ( 11.949 7.875 -0.513) 14.320 8.206 ( 3.026 16.721 -1.366) 17.048 8.503 ( 8.757 6.594 -3.889) 11.632 8.636 ( -5.002 5.190 11.374) 13.466 8.836 ( -6.713 1.059 -3.049) 7.448 8.945 ( -4.532 -3.847 3.255) 6.777 9.033 ( 0.853 -22.363 3.267) 22.617 9.379 ( 3.855 3.214 -1.236) 5.169 9.583 ( 7.588 7.799 5.441) 12.166 9.681 ( 5.754 -3.280 -4.104) 7.791 10.133 ( 7.776 -0.237 -4.849) 9.167 10.217 ( 13.749 -5.829 1.061) 14.971 10.288 ( -16.656 -13.691 -4.429) 22.011 10.901 ( 5.349 0.682 -11.938) 13.099 11.160 ( 7.860 -13.697 -16.487) 22.830 11.483 ( 3.697 -6.126 5.703) 9.150 11.638 ( 0.668 -8.598 2.969) 9.121 11.926 ( 1.211 3.349 -1.371) 3.816 12.460 ( -1.529 0.562 1.263) 2.062 13.181 ( -0.282 -3.310 -17.886) 18.192 13.272 ( 1.538 -0.545 -20.591) 20.656 14.270 ( 0.804 -5.880 22.397) 23.170 14.480 ( 4.926 -6.645 31.208) 32.286 15.867 ( -1.224 -0.405 12.560) 12.626 16.931 ( -2.288 7.037 5.303) 9.103 17.107 ( -12.006 0.054 -3.237) 12.434 17.409 ( 1.321 5.853 2.289) 6.422 17.530 ( -1.601 -2.718 -5.485) 6.327 18.411 ( 14.345 26.850 10.685) 32.262 19.414 ( -5.033 -10.123 -1.444) 11.397 19.782 ( 6.521 -17.642 -24.772) 31.103 20.077 ( 7.127 -2.792 -6.246) 9.879 20.301 ( 7.475 -14.994 1.835) 16.854 21.051 ( -0.080 -6.156 -16.669) 17.770 21.251 ( -6.809 -2.826 0.601) 7.396 22.168 ( 9.529 -2.982 16.005) 18.864 23.918 ( -6.962 7.940 -4.445) 11.458 24.256 ( -4.229 0.571 -2.058) 4.738 24.442 ( -5.902 9.382 5.203) 12.244 24.713 ( -2.844 2.532 1.930) 4.269 25.074 ( -4.669 4.197 -5.601) 8.414 ======================= Grid point 128 (82/96) ======================= q-point: ( 0.26 -0.26 0.54) 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.58e-05 8.58e-05 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.473 ( 7.693 4.025 -0.000) 8.683 1.566 ( 2.010 3.181 -0.000) 3.763 1.614 ( 1.848 -0.452 0.000) 1.902 1.708 ( 1.065 -3.279 0.000) 3.448 2.168 ( -2.120 0.422 -0.000) 2.162 2.211 ( -9.287 -0.333 -0.000) 9.293 2.528 ( 1.703 14.391 -0.000) 14.492 2.745 ( 21.065 5.870 -0.000) 21.868 3.328 ( -8.651 -20.254 0.000) 22.024 3.412 ( 5.412 12.277 -0.000) 13.417 3.474 ( -3.757 1.613 -0.000) 4.088 3.591 ( -24.848 30.305 -0.000) 39.190 3.744 ( 3.779 -5.452 0.000) 6.633 4.476 ( -32.152 6.439 -0.000) 32.790 4.770 ( -11.265 1.852 -0.000) 11.417 5.017 ( -3.635 7.645 -0.000) 8.465 5.130 ( 19.044 -5.312 0.000) 19.771 5.371 ( -6.192 -16.822 0.000) 17.925 5.441 ( 6.281 4.749 -0.000) 7.874 5.665 ( -5.734 0.103 -0.000) 5.735 5.958 ( -4.126 7.803 -0.000) 8.826 5.999 ( -24.009 24.841 -0.000) 34.547 6.486 ( -7.608 2.323 -0.000) 7.954 6.490 ( 0.462 8.311 -0.000) 8.324 6.977 ( 1.232 -9.554 0.000) 9.633 7.034 ( -5.512 -3.824 0.000) 6.708 7.178 ( 13.800 10.354 -0.000) 17.252 7.235 ( 9.071 0.528 0.000) 9.086 7.374 ( -1.290 0.255 -0.000) 1.315 7.697 ( 3.396 4.005 -0.000) 5.251 7.724 ( -2.166 1.354 -0.000) 2.554 8.137 ( -7.474 2.087 -0.000) 7.760 8.278 ( -5.418 8.311 -0.000) 9.922 8.330 ( 8.954 1.900 0.000) 9.153 8.659 ( -12.115 5.278 -0.000) 13.215 8.852 ( 11.226 4.709 -0.000) 12.173 8.871 ( 5.167 -0.640 0.000) 5.206 9.059 ( 8.237 -23.261 0.000) 24.677 9.322 ( -5.659 -7.621 0.000) 9.492 9.673 ( -2.130 -0.094 -0.000) 2.133 9.797 ( 1.648 1.964 -0.000) 2.563 10.080 ( -1.313 -13.493 0.000) 13.556 10.455 ( 16.197 4.709 -0.000) 16.868 10.567 ( 18.972 4.097 0.000) 19.410 11.132 ( 4.601 5.490 -0.000) 7.163 11.324 ( -13.284 -1.969 -0.000) 13.429 11.534 ( 8.433 -4.734 0.000) 9.671 11.697 ( 10.838 -10.782 0.000) 15.288 11.988 ( 5.932 -2.983 0.000) 6.639 12.425 ( -1.410 -1.674 0.000) 2.189 13.377 ( -4.720 0.628 -0.000) 4.762 13.687 ( 0.081 1.722 -0.000) 1.724 13.884 ( 3.886 2.554 -0.000) 4.650 14.277 ( 11.643 -15.062 0.000) 19.037 15.722 ( -1.083 -0.154 -0.000) 1.094 16.807 ( -4.345 4.759 -0.000) 6.444 16.863 ( -15.966 4.471 -0.000) 16.580 17.403 ( -3.007 1.289 -0.000) 3.272 17.542 ( 1.607 0.311 0.000) 1.637 18.696 ( 24.400 14.915 -0.000) 28.597 19.323 ( -0.135 -6.377 0.000) 6.378 20.201 ( 0.686 -1.279 0.000) 1.451 20.250 ( 2.033 -5.123 0.000) 5.512 20.501 ( 8.492 -5.096 0.000) 9.904 20.922 ( 0.395 -23.317 0.000) 23.321 21.336 ( -2.507 1.076 -0.000) 2.728 22.326 ( 23.226 -6.758 0.000) 24.189 23.729 ( -14.386 5.728 -0.000) 15.484 24.192 ( -10.788 13.765 -0.000) 17.489 24.225 ( -6.299 4.917 -0.000) 7.991 24.607 ( -5.094 -2.970 0.000) 5.896 25.016 ( -7.094 2.718 -0.000) 7.597 ======================= Grid point 140 (83/96) ======================= q-point: (-0.29 -0.29 0.29) 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.58e-05 8.58e-05 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.185 ( -0.000 -0.000 -33.271) 33.271 1.473 ( -0.000 -0.000 -3.908) 3.908 1.661 ( -0.000 -0.000 -1.129) 1.129 1.783 ( 0.000 0.000 4.516) 4.516 2.073 ( -0.000 -0.000 -1.836) 1.836 2.375 ( -0.000 -0.000 -5.776) 5.776 2.394 ( 0.000 0.000 12.074) 12.074 2.504 ( 0.000 0.000 0.569) 0.569 2.505 ( -0.000 -0.000 -26.835) 26.835 3.164 ( -0.000 -0.000 -6.263) 6.263 3.536 ( -0.000 -0.000 -5.572) 5.572 4.090 ( 0.000 0.000 18.939) 18.939 4.235 ( -0.000 -0.000 -27.524) 27.524 4.324 ( -0.000 -0.000 -9.538) 9.538 4.467 ( -0.000 -0.000 -17.521) 17.521 4.936 ( -0.000 -0.000 -6.399) 6.399 5.194 ( -0.000 -0.000 -2.024) 2.024 5.276 ( 0.000 0.000 2.984) 2.984 5.463 ( -0.000 -0.000 -26.458) 26.458 5.515 ( 0.000 0.000 0.091) 0.091 5.950 ( 0.000 0.000 8.214) 8.214 6.344 ( 0.000 0.000 16.406) 16.406 6.423 ( 0.000 0.000 5.692) 5.692 6.660 ( -0.000 -0.000 -5.353) 5.353 6.731 ( 0.000 0.000 2.957) 2.957 6.872 ( -0.000 -0.000 -5.872) 5.872 7.108 ( -0.000 -0.000 -8.352) 8.352 7.209 ( -0.000 -0.000 -14.470) 14.470 7.337 ( -0.000 -0.000 -8.284) 8.284 7.536 ( -0.000 -0.000 -8.605) 8.605 7.941 ( 0.000 0.000 9.482) 9.482 8.242 ( -0.000 -0.000 -17.526) 17.526 8.362 ( -0.000 -0.000 -7.586) 7.586 8.424 ( 0.000 0.000 7.154) 7.154 8.688 ( -0.000 -0.000 -2.010) 2.010 8.705 ( -0.000 -0.000 -21.057) 21.057 9.096 ( -0.000 -0.000 -5.621) 5.621 9.267 ( 0.000 0.000 0.078) 0.078 9.621 ( 0.000 0.000 4.245) 4.245 9.684 ( 0.000 0.000 14.730) 14.730 9.801 ( 0.000 0.000 6.270) 6.270 9.877 ( -0.000 -0.000 -0.526) 0.526 10.000 ( 0.000 0.000 0.618) 0.618 10.161 ( -0.000 -0.000 -4.009) 4.009 10.421 ( 0.000 0.000 31.568) 31.568 10.667 ( 0.000 0.000 1.696) 1.696 11.337 ( -0.000 -0.000 -2.029) 2.029 11.867 ( -0.000 -0.000 -0.172) 0.172 12.155 ( 0.000 0.000 23.275) 23.275 12.523 ( -0.000 -0.000 -12.361) 12.361 12.560 ( 0.000 0.000 2.016) 2.016 12.639 ( -0.000 -0.000 -9.667) 9.667 15.001 ( 0.000 0.000 19.189) 19.189 15.717 ( 0.000 0.000 27.462) 27.462 16.901 ( -0.000 -0.000 -12.020) 12.020 16.917 ( 0.000 0.000 34.289) 34.289 16.962 ( -0.000 -0.000 -20.077) 20.077 17.057 ( -0.000 -0.000 -13.392) 13.392 17.717 ( 0.000 0.000 10.665) 10.665 17.942 ( -0.000 -0.000 -34.087) 34.087 19.439 ( 0.000 0.000 5.971) 5.971 19.510 ( -0.000 -0.000 -39.180) 39.180 19.802 ( 0.000 0.000 26.118) 26.118 19.951 ( 0.000 0.000 12.059) 12.059 20.306 ( 0.000 0.000 13.476) 13.476 21.556 ( 0.000 0.000 12.288) 12.288 22.679 ( 0.000 0.000 5.957) 5.957 23.804 ( -0.000 -0.000 -16.647) 16.647 24.127 ( -0.000 -0.000 -0.289) 0.289 24.501 ( -0.000 -0.000 -16.615) 16.615 24.675 ( 0.000 0.000 0.940) 0.940 25.007 ( -0.000 -0.000 -2.890) 2.890 ======================= Grid point 141 (84/96) ======================= q-point: (-0.43 -0.29 0.43) 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.58e-05 8.58e-05 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.526 ( 0.040 -0.000 -1.207) 1.208 1.636 ( 1.651 0.000 -0.501) 1.725 1.689 ( -0.353 0.000 3.888) 3.904 1.804 ( -7.144 -0.000 11.719) 13.725 1.972 ( 2.161 -0.000 -29.675) 29.754 2.319 ( -6.761 -0.000 -3.117) 7.445 2.458 ( 6.682 0.000 -1.358) 6.819 2.474 ( -4.901 -0.000 -5.455) 7.333 2.986 ( 1.333 -0.000 -19.950) 19.994 3.280 ( 4.073 0.000 -0.893) 4.170 3.441 ( -8.191 -0.000 15.552) 17.577 3.924 ( 7.255 0.000 -1.872) 7.493 4.444 ( -14.157 -0.000 -6.073) 15.405 4.459 ( 1.180 -0.000 -7.999) 8.086 4.835 ( 1.926 -0.000 -14.660) 14.786 4.875 ( -13.166 -0.000 6.340) 14.613 5.165 ( -11.892 -0.000 2.842) 12.227 5.194 ( -1.982 -0.000 -3.849) 4.329 5.436 ( 2.438 0.000 6.806) 7.229 5.884 ( -4.648 -0.000 5.320) 7.064 5.908 ( -1.371 -0.000 -4.540) 4.743 6.133 ( 15.382 0.000 -19.093) 24.518 6.401 ( 5.297 0.000 8.202) 9.764 6.674 ( 1.441 0.000 2.290) 2.706 6.768 ( 4.720 0.000 -6.031) 7.658 7.101 ( 2.536 0.000 -9.959) 10.277 7.122 ( -18.545 -0.000 -4.459) 19.073 7.476 ( 5.974 0.000 -5.653) 8.225 7.527 ( -0.631 -0.000 -9.810) 9.830 7.751 ( 2.606 0.000 10.983) 11.288 7.909 ( 12.115 0.000 -0.242) 12.117 8.269 ( 4.705 0.000 17.014) 17.652 8.302 ( -8.559 -0.000 -2.832) 9.015 8.465 ( 6.590 0.000 -5.436) 8.543 8.681 ( -12.399 -0.000 -0.928) 12.434 8.984 ( 8.290 0.000 3.982) 9.196 8.991 ( -8.344 -0.000 16.860) 18.812 9.071 ( -17.937 -0.000 6.025) 18.922 9.307 ( -5.511 -0.000 1.231) 5.647 9.499 ( 2.401 -0.000 -13.237) 13.453 9.717 ( 5.946 0.000 -0.522) 5.969 9.982 ( 3.586 0.000 -1.084) 3.747 10.010 ( -11.342 -0.000 -3.504) 11.871 10.407 ( 27.970 0.000 7.161) 28.873 10.496 ( 11.268 0.000 -19.103) 22.179 10.805 ( 8.321 0.000 -5.289) 9.859 11.374 ( -5.653 -0.000 -5.383) 7.806 11.788 ( 8.597 0.000 16.045) 18.203 11.917 ( -0.842 -0.000 -1.868) 2.049 12.495 ( -2.306 -0.000 1.223) 2.611 12.846 ( 0.884 -0.000 -11.359) 11.394 12.870 ( 3.830 0.000 -16.445) 16.885 14.616 ( 1.228 0.000 19.610) 19.649 15.116 ( 3.407 0.000 33.962) 34.132 16.227 ( -5.384 -0.000 21.913) 22.564 17.011 ( -7.987 -0.000 -5.150) 9.504 17.116 ( -2.934 -0.000 3.105) 4.272 17.276 ( -4.141 -0.000 -13.732) 14.343 17.568 ( 1.989 0.000 4.971) 5.354 18.876 ( 14.249 0.000 -35.382) 38.143 19.167 ( -5.941 -0.000 15.223) 16.341 19.315 ( 4.418 0.000 8.150) 9.271 19.986 ( -10.951 -0.000 -13.497) 17.381 20.165 ( 30.777 0.000 10.824) 32.625 20.470 ( 8.265 0.000 -23.960) 25.345 21.281 ( -9.724 -0.000 7.263) 12.137 22.485 ( 3.089 0.000 13.209) 13.566 24.025 ( -8.363 -0.000 0.460) 8.376 24.068 ( -2.566 -0.000 -10.957) 11.253 24.619 ( -1.764 -0.000 3.002) 3.482 24.729 ( -3.789 -0.000 -4.744) 6.072 24.983 ( -6.856 -0.000 -4.828) 8.386 ======================= Grid point 142 (85/96) ======================= q-point: ( 0.43 -0.29 -0.43) 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.58e-05 8.58e-05 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.548 ( 4.598 0.000 1.389) 4.803 1.614 ( 0.019 0.000 1.942) 1.943 1.628 ( 1.818 0.000 2.552) 3.133 1.663 ( 1.073 0.000 0.260) 1.104 2.174 ( -9.710 -0.000 -2.517) 10.031 2.204 ( -0.980 -0.000 1.957) 2.189 2.789 ( -10.443 -0.000 -19.037) 21.714 2.792 ( 24.438 0.000 -0.709) 24.449 3.018 ( -1.014 -0.000 -2.188) 2.412 3.175 ( 1.837 0.000 10.513) 10.672 3.515 ( 19.855 0.000 -5.122) 20.505 3.977 ( -3.337 -0.000 11.532) 12.005 4.122 ( -29.925 -0.000 13.259) 32.731 4.317 ( -24.054 -0.000 -24.702) 34.479 4.655 ( -14.902 -0.000 -3.449) 15.296 4.952 ( 9.072 0.000 -8.426) 12.381 4.961 ( -12.446 -0.000 -4.077) 13.097 5.229 ( -0.987 -0.000 -0.598) 1.154 5.475 ( 2.014 0.000 -1.157) 2.323 5.765 ( -2.530 -0.000 7.782) 8.183 5.999 ( 2.070 0.000 -2.729) 3.425 6.370 ( -2.066 -0.000 -5.419) 5.799 6.409 ( -3.171 -0.000 5.812) 6.621 6.714 ( -17.603 -0.000 1.339) 17.654 6.873 ( -4.146 -0.000 -1.241) 4.327 7.070 ( -5.138 -0.000 18.613) 19.309 7.134 ( 10.433 0.000 -16.891) 19.854 7.301 ( -5.177 -0.000 8.134) 9.642 7.536 ( -2.642 -0.000 2.613) 3.716 7.664 ( -0.049 -0.000 -4.897) 4.897 7.883 ( 15.197 0.000 15.679) 21.835 8.175 ( -24.621 -0.000 -2.469) 24.744 8.260 ( 1.112 -0.000 -6.984) 7.072 8.270 ( -3.888 -0.000 -0.565) 3.929 8.731 ( -7.362 -0.000 3.168) 8.014 8.806 ( 8.688 0.000 0.520) 8.703 8.880 ( 11.510 0.000 -1.573) 11.617 9.049 ( 13.919 0.000 9.328) 16.755 9.183 ( -7.766 -0.000 -1.812) 7.975 9.721 ( -10.711 -0.000 3.924) 11.407 9.835 ( -1.142 -0.000 -0.504) 1.248 9.849 ( 9.670 0.000 -6.844) 11.847 10.325 ( 13.397 0.000 -12.245) 18.149 10.750 ( 19.330 0.000 4.709) 19.896 11.079 ( -0.302 -0.000 -17.844) 17.847 11.139 ( 12.343 0.000 -5.986) 13.717 11.399 ( 3.474 0.000 -4.452) 5.647 11.710 ( 11.554 0.000 11.025) 15.970 11.956 ( 0.701 0.000 -1.231) 1.417 12.421 ( -2.659 -0.000 1.158) 2.900 13.153 ( -0.532 -0.000 -16.144) 16.153 13.320 ( 3.141 -0.000 -20.753) 20.990 14.286 ( 5.858 0.000 17.513) 18.466 14.505 ( 5.572 0.000 33.451) 33.912 15.833 ( -1.747 0.000 10.708) 10.850 16.864 ( -15.534 -0.000 -3.851) 16.005 16.918 ( -5.578 -0.000 5.748) 8.010 17.345 ( -9.158 -0.000 -5.803) 10.841 17.586 ( 6.928 0.000 2.202) 7.269 18.946 ( 7.275 0.000 6.329) 9.643 19.322 ( 10.309 0.000 4.925) 11.425 19.857 ( 20.284 0.000 -25.187) 32.339 20.090 ( -2.313 -0.000 -9.856) 10.124 20.551 ( 26.362 0.000 9.262) 27.942 20.757 ( -17.429 -0.000 5.130) 18.168 21.125 ( -3.504 -0.000 -18.988) 19.309 22.397 ( 17.082 0.000 10.540) 20.072 23.808 ( -11.936 -0.000 1.766) 12.066 24.161 ( -6.484 -0.000 -7.462) 9.885 24.477 ( -4.310 -0.000 5.429) 6.932 24.545 ( -12.722 -0.000 2.011) 12.880 24.981 ( -7.763 -0.000 -5.745) 9.657 ======================= Grid point 143 (86/96) ======================= q-point: ( 0.29 -0.29 -0.29) 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.58e-05 8.58e-05 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.595 ( -1.286 -0.000 -0.000) 1.286 1.620 ( 2.814 0.000 0.000) 2.814 1.645 ( 1.539 0.000 0.000) 1.539 1.676 ( 0.224 0.000 0.000) 0.224 2.090 ( -3.348 -0.000 -0.000) 3.348 2.142 ( -0.770 -0.000 -0.000) 0.770 2.586 ( -13.188 -0.000 -0.000) 13.188 2.993 ( -1.958 -0.000 -0.000) 1.958 3.190 ( -39.073 -0.000 -0.000) 39.073 3.336 ( 26.671 0.000 0.000) 26.671 3.562 ( 11.019 0.000 0.000) 11.019 3.579 ( -4.526 -0.000 -0.000) 4.526 3.985 ( 13.223 0.000 0.000) 13.223 4.220 ( -30.402 -0.000 -0.000) 30.402 4.408 ( -12.860 -0.000 -0.000) 12.860 4.588 ( -8.619 -0.000 -0.000) 8.619 5.144 ( -3.402 -0.000 -0.000) 3.402 5.394 ( -16.395 -0.000 -0.000) 16.395 5.420 ( 5.416 0.000 0.000) 5.416 5.626 ( 16.538 0.000 0.000) 16.538 5.880 ( -29.794 -0.000 -0.000) 29.794 6.039 ( -8.031 -0.000 -0.000) 8.031 6.408 ( -7.226 -0.000 -0.000) 7.226 6.448 ( -13.246 -0.000 -0.000) 13.246 6.536 ( -15.740 -0.000 -0.000) 15.740 6.660 ( 5.026 0.000 0.000) 5.026 7.458 ( -6.046 -0.000 -0.000) 6.046 7.516 ( 14.351 0.000 0.000) 14.351 7.589 ( 6.851 0.000 0.000) 6.851 7.693 ( -3.140 -0.000 -0.000) 3.140 7.756 ( -18.763 -0.000 -0.000) 18.763 7.992 ( 20.299 0.000 0.000) 20.299 8.221 ( -7.124 -0.000 -0.000) 7.124 8.332 ( -0.662 -0.000 -0.000) 0.662 8.409 ( -16.859 -0.000 -0.000) 16.859 9.046 ( 16.710 0.000 0.000) 16.710 9.074 ( -8.270 -0.000 -0.000) 8.270 9.143 ( 9.936 0.000 0.000) 9.936 9.210 ( 11.657 0.000 0.000) 11.657 9.412 ( -13.888 -0.000 -0.000) 13.888 9.869 ( 6.426 0.000 0.000) 6.426 10.103 ( 8.790 0.000 0.000) 8.790 10.826 ( 17.417 0.000 0.000) 17.417 10.946 ( 9.654 0.000 0.000) 9.654 10.992 ( -18.255 -0.000 -0.000) 18.255 11.462 ( 14.452 0.000 0.000) 14.452 11.756 ( 6.662 0.000 0.000) 6.662 11.763 ( 15.169 0.000 0.000) 15.169 12.036 ( 7.262 0.000 0.000) 7.262 12.357 ( -2.600 -0.000 -0.000) 2.600 13.272 ( -7.283 -0.000 -0.000) 7.283 13.691 ( -0.563 -0.000 -0.000) 0.563 14.164 ( 9.791 0.000 0.000) 9.791 14.273 ( 13.116 0.000 0.000) 13.116 15.699 ( -1.340 -0.000 -0.000) 1.340 16.601 ( -15.701 -0.000 -0.000) 15.701 16.724 ( -8.192 -0.000 -0.000) 8.192 17.192 ( -11.707 -0.000 -0.000) 11.707 17.722 ( 9.020 0.000 0.000) 9.020 19.087 ( 11.613 0.000 0.000) 11.613 19.431 ( -1.491 -0.000 -0.000) 1.491 20.234 ( 2.662 0.000 0.000) 2.662 20.269 ( -13.176 -0.000 -0.000) 13.176 20.640 ( 11.135 0.000 0.000) 11.135 20.814 ( 38.011 0.000 0.000) 38.011 21.295 ( -3.091 -0.000 -0.000) 3.091 22.757 ( 27.242 0.000 0.000) 27.242 23.514 ( -15.109 -0.000 -0.000) 15.109 24.105 ( -9.815 -0.000 -0.000) 9.815 24.264 ( -14.830 -0.000 -0.000) 14.830 24.283 ( -5.828 -0.000 -0.000) 5.828 24.882 ( -8.050 -0.000 -0.000) 8.050 ======================= Grid point 147 (87/96) ======================= q-point: ( 0.30 -0.30 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.58e-05 8.58e-05 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.262 ( 0.000 19.144 -0.000) 19.144 1.267 ( 0.000 7.762 -0.000) 7.762 1.583 ( -0.000 -0.745 0.000) 0.745 1.857 ( -0.000 -5.457 0.000) 5.457 2.099 ( 0.000 10.687 -0.000) 10.687 2.303 ( -0.000 -1.059 0.000) 1.059 2.315 ( 0.000 4.741 -0.000) 4.741 2.453 ( 0.000 8.378 -0.000) 8.378 3.264 ( 0.000 0.987 -0.000) 0.987 3.723 ( -0.000 -4.095 0.000) 4.095 3.767 ( -0.000 -4.900 0.000) 4.900 3.879 ( -0.000 -18.001 0.000) 18.001 3.922 ( 0.000 42.908 -0.000) 42.908 4.005 ( 0.000 39.891 -0.000) 39.891 4.810 ( -0.000 -11.056 0.000) 11.056 4.948 ( 0.000 23.104 -0.000) 23.104 5.018 ( -0.000 -1.868 0.000) 1.868 5.120 ( 0.000 12.644 -0.000) 12.644 5.407 ( -0.000 -3.108 0.000) 3.108 5.947 ( -0.000 -3.683 0.000) 3.683 5.960 ( 0.000 21.777 -0.000) 21.777 6.009 ( 0.000 21.134 -0.000) 21.134 6.282 ( 0.000 0.619 -0.000) 0.619 6.311 ( 0.000 10.860 -0.000) 10.860 6.515 ( 0.000 12.422 -0.000) 12.422 6.776 ( 0.000 18.620 -0.000) 18.620 6.929 ( -0.000 -7.754 0.000) 7.754 7.303 ( 0.000 4.036 -0.000) 4.036 7.553 ( 0.000 3.836 -0.000) 3.836 7.561 ( -0.000 -8.889 0.000) 8.889 7.768 ( 0.000 0.681 -0.000) 0.681 7.984 ( -0.000 -1.921 0.000) 1.921 8.059 ( 0.000 20.415 -0.000) 20.415 8.312 ( 0.000 5.562 -0.000) 5.562 8.317 ( -0.000 -2.573 0.000) 2.573 8.694 ( 0.000 17.118 -0.000) 17.118 8.833 ( 0.000 8.411 -0.000) 8.411 9.111 ( -0.000 -3.356 0.000) 3.356 9.546 ( -0.000 -1.870 0.000) 1.870 9.692 ( -0.000 -36.288 0.000) 36.288 9.807 ( -0.000 -9.657 0.000) 9.657 9.997 ( 0.000 4.283 -0.000) 4.283 10.161 ( -0.000 -1.355 0.000) 1.355 10.913 ( -0.000 -5.860 0.000) 5.860 11.024 ( -0.000 -13.289 0.000) 13.289 11.580 ( -0.000 -14.388 0.000) 14.388 11.665 ( -0.000 -16.582 0.000) 16.582 11.703 ( -0.000 -4.530 0.000) 4.530 11.780 ( 0.000 7.984 -0.000) 7.984 12.460 ( -0.000 -0.444 0.000) 0.444 13.518 ( -0.000 -3.700 0.000) 3.700 13.547 ( 0.000 9.868 -0.000) 9.868 14.147 ( -0.000 -17.258 0.000) 17.258 14.166 ( -0.000 -13.111 0.000) 13.111 15.761 ( -0.000 -0.983 0.000) 0.983 16.698 ( 0.000 12.977 -0.000) 12.977 17.212 ( 0.000 9.549 -0.000) 9.549 17.396 ( 0.000 21.276 -0.000) 21.276 17.407 ( -0.000 -9.300 0.000) 9.300 17.855 ( -0.000 -1.517 0.000) 1.517 19.660 ( -0.000 -4.093 0.000) 4.093 20.328 ( -0.000 -2.013 0.000) 2.013 20.422 ( -0.000 -13.122 0.000) 13.122 20.533 ( -0.000 -40.375 0.000) 40.375 21.245 ( -0.000 -7.394 0.000) 7.394 21.374 ( 0.000 0.812 -0.000) 0.812 21.987 ( -0.000 -9.553 0.000) 9.553 23.988 ( 0.000 7.513 -0.000) 7.513 24.156 ( 0.000 12.969 -0.000) 12.969 24.242 ( 0.000 7.463 -0.000) 7.463 24.574 ( 0.000 9.074 -0.000) 9.074 25.038 ( 0.000 9.736 -0.000) 9.736 ======================= Grid point 161 (88/96) ======================= q-point: ( 0.47 -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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.58e-05 8.58e-05 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.479 ( 0.000 7.478 5.839) 9.488 1.550 ( 0.000 1.825 0.914) 2.042 1.585 ( 0.000 2.474 2.722) 3.678 1.766 ( -0.000 -7.106 4.442) 8.381 2.259 ( -0.000 -0.803 -2.988) 3.094 2.362 ( 0.000 1.744 -1.881) 2.565 2.489 ( 0.000 7.914 -0.075) 7.914 2.656 ( 0.000 17.147 14.867) 22.695 3.045 ( -0.000 -6.901 -31.109) 31.866 3.248 ( -0.000 2.088 -5.472) 5.857 3.536 ( -0.000 -20.702 6.690) 21.756 3.994 ( 0.000 1.761 2.641) 3.174 4.517 ( -0.000 0.650 -8.722) 8.746 4.706 ( 0.000 18.446 -3.083) 18.702 4.807 ( 0.000 20.181 10.873) 22.924 4.853 ( 0.000 13.288 -4.158) 13.923 5.100 ( -0.000 -2.756 -8.487) 8.923 5.174 ( 0.000 6.601 -5.861) 8.827 5.397 ( -0.000 -3.276 4.095) 5.244 5.851 ( 0.000 5.378 -1.067) 5.483 6.127 ( -0.000 6.833 -16.257) 17.635 6.244 ( -0.000 -11.494 3.719) 12.081 6.253 ( -0.000 -0.528 -3.580) 3.618 6.697 ( 0.000 0.211 0.200) 0.291 6.719 ( 0.000 1.140 1.195) 1.652 6.977 ( 0.000 16.678 6.782) 18.005 7.130 ( 0.000 7.403 20.225) 21.537 7.482 ( 0.000 8.177 -6.376) 10.369 7.626 ( 0.000 -1.439 6.239) 6.403 7.651 ( 0.000 5.515 -1.220) 5.648 7.685 ( 0.000 9.078 3.386) 9.689 8.006 ( 0.000 -2.363 6.943) 7.334 8.024 ( -0.000 4.436 -14.035) 14.720 8.471 ( 0.000 22.630 0.821) 22.645 8.736 ( 0.000 9.063 12.654) 15.565 8.898 ( -0.000 -20.176 -1.966) 20.271 8.955 ( -0.000 -11.997 -0.903) 12.031 9.148 ( 0.000 25.324 0.133) 25.324 9.153 ( 0.000 5.609 0.755) 5.660 9.533 ( -0.000 -7.011 5.978) 9.214 9.624 ( -0.000 -4.224 -1.383) 4.445 10.050 ( 0.000 3.297 -4.286) 5.407 10.059 ( -0.000 -11.570 1.139) 11.626 10.663 ( -0.000 -15.512 -4.449) 16.138 10.682 ( -0.000 -12.525 -9.981) 16.016 11.062 ( -0.000 -9.795 -19.765) 22.059 11.426 ( -0.000 -7.136 10.076) 12.347 11.658 ( -0.000 -8.147 -1.128) 8.225 11.917 ( 0.000 5.970 -1.808) 6.238 12.476 ( 0.000 0.827 1.697) 1.888 13.185 ( -0.000 -4.284 -17.744) 18.254 13.254 ( -0.000 -1.336 -22.087) 22.127 14.265 ( 0.000 -8.204 21.898) 23.384 14.430 ( 0.000 -4.270 32.877) 33.153 15.879 ( 0.000 -0.465 13.382) 13.390 16.953 ( 0.000 7.595 5.413) 9.326 17.233 ( -0.000 -6.007 -2.454) 6.489 17.394 ( 0.000 5.735 3.289) 6.611 17.541 ( -0.000 0.938 -7.308) 7.368 18.274 ( 0.000 32.222 11.704) 34.282 19.472 ( -0.000 -6.007 -15.401) 16.531 19.783 ( -0.000 -35.881 3.821) 36.084 19.904 ( -0.000 0.721 -22.789) 22.801 20.244 ( -0.000 -13.574 3.374) 13.987 21.054 ( -0.000 -2.782 -23.494) 23.658 21.325 ( 0.000 -0.980 3.177) 3.325 22.076 ( 0.000 -2.822 19.083) 19.290 23.986 ( 0.000 7.967 -5.672) 9.780 24.298 ( -0.000 0.116 -1.422) 1.427 24.499 ( 0.000 6.668 5.068) 8.376 24.741 ( 0.000 5.230 2.069) 5.624 25.121 ( 0.000 5.021 -5.674) 7.576 ======================= Grid point 162 (89/96) ======================= q-point: ( 0.33 -0.33 0.47) 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.58e-05 8.58e-05 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.384 ( 0.065 5.914 -0.000) 5.914 1.531 ( 1.361 6.078 -0.000) 6.229 1.583 ( 1.160 -0.470 0.000) 1.252 1.701 ( -0.904 -4.987 0.000) 5.069 2.228 ( -3.684 0.792 -0.000) 3.768 2.404 ( -4.667 2.195 -0.000) 5.158 2.470 ( 3.694 18.752 -0.000) 19.113 2.491 ( 1.726 1.696 -0.000) 2.419 3.265 ( 1.848 5.172 -0.000) 5.492 3.415 ( -2.818 -22.435 0.000) 22.611 3.619 ( -7.186 -3.304 0.000) 7.909 3.679 ( 2.807 -5.663 0.000) 6.320 4.198 ( -30.467 38.009 -0.000) 48.713 4.791 ( 13.710 -6.396 0.000) 15.129 4.869 ( -3.144 20.994 -0.000) 21.228 4.942 ( -4.231 -1.656 0.000) 4.544 5.161 ( -10.493 3.423 -0.000) 11.037 5.332 ( 8.174 -8.120 0.000) 11.522 5.365 ( 1.255 3.279 -0.000) 3.511 5.706 ( -4.121 1.806 -0.000) 4.500 6.067 ( -9.631 5.595 -0.000) 11.138 6.278 ( -3.539 8.931 -0.000) 9.607 6.496 ( 2.832 8.467 -0.000) 8.928 6.669 ( -8.820 10.139 -0.000) 13.438 6.850 ( 17.220 13.534 -0.000) 21.902 6.897 ( 5.418 -4.518 0.000) 7.054 6.947 ( 11.125 3.020 -0.000) 11.528 7.186 ( -9.115 2.677 -0.000) 9.500 7.637 ( -17.107 -4.210 0.000) 17.618 7.663 ( -0.438 5.448 -0.000) 5.466 7.757 ( -2.869 -5.562 0.000) 6.258 7.925 ( 20.451 13.765 -0.000) 24.653 8.344 ( 0.173 8.959 -0.000) 8.960 8.384 ( -9.370 12.540 -0.000) 15.654 8.574 ( 12.233 8.849 -0.000) 15.098 8.889 ( -7.839 4.803 -0.000) 9.194 8.900 ( -5.641 -7.269 0.000) 9.201 8.987 ( -0.479 -29.166 0.000) 29.170 9.414 ( -3.507 -7.534 0.000) 8.310 9.495 ( 18.398 19.854 -0.000) 27.068 9.720 ( 5.380 -3.216 0.000) 6.267 10.194 ( 14.094 -10.066 0.000) 17.320 10.196 ( 9.944 5.424 -0.000) 11.327 10.335 ( -19.197 -15.730 0.000) 24.818 11.044 ( 7.337 0.405 0.000) 7.348 11.368 ( 4.921 -9.238 0.000) 10.467 11.436 ( 13.208 -19.164 0.000) 23.274 11.558 ( -7.077 -3.289 0.000) 7.804 11.938 ( 0.318 4.838 -0.000) 4.848 12.450 ( -1.068 -0.176 -0.000) 1.082 13.446 ( -2.394 -0.670 0.000) 2.486 13.682 ( 0.297 3.304 -0.000) 3.317 13.852 ( -0.600 -3.595 0.000) 3.645 14.071 ( 9.461 -13.088 0.000) 16.150 15.738 ( -0.543 -0.587 0.000) 0.800 16.868 ( -2.080 6.198 -0.000) 6.537 17.137 ( -11.205 -0.412 -0.000) 11.213 17.384 ( 1.860 6.918 -0.000) 7.163 17.588 ( -2.928 -2.849 0.000) 4.086 18.300 ( 15.075 27.143 -0.000) 31.049 19.403 ( -7.816 -13.495 0.000) 15.594 19.987 ( 17.737 -28.345 0.000) 33.437 20.203 ( -0.874 -3.940 0.000) 4.036 20.362 ( 5.796 -4.114 0.000) 7.108 21.094 ( -9.973 -3.010 0.000) 10.417 21.374 ( -1.332 0.659 -0.000) 1.486 21.957 ( 14.018 -6.990 0.000) 15.664 23.953 ( -8.450 1.660 -0.000) 8.612 24.320 ( -3.453 6.682 -0.000) 7.522 24.353 ( -5.810 9.685 -0.000) 11.294 24.685 ( -2.801 2.359 -0.000) 3.662 25.135 ( -4.828 4.597 -0.000) 6.667 ======================= Grid point 175 (90/96) ======================= q-point: (-0.36 -0.36 0.36) 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.58e-05 8.58e-05 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.529 ( -0.000 -0.000 -1.847) 1.847 1.616 ( -0.000 -0.000 -2.082) 2.082 1.692 ( 0.000 0.000 4.241) 4.241 1.909 ( 0.000 0.000 14.914) 14.914 1.950 ( -0.000 -0.000 -29.466) 29.466 2.322 ( -0.000 -0.000 -2.673) 2.673 2.468 ( -0.000 -0.000 -4.054) 4.054 2.523 ( -0.000 -0.000 -6.124) 6.124 3.001 ( -0.000 -0.000 -18.537) 18.537 3.249 ( -0.000 -0.000 -0.871) 0.871 3.580 ( 0.000 0.000 28.333) 28.333 3.772 ( -0.000 -0.000 -16.018) 16.018 4.479 ( -0.000 -0.000 -4.381) 4.381 4.581 ( -0.000 -0.000 -9.440) 9.440 4.788 ( -0.000 -0.000 -13.762) 13.762 5.055 ( -0.000 -0.000 -6.093) 6.093 5.163 ( 0.000 0.000 6.258) 6.258 5.220 ( -0.000 -0.000 -1.787) 1.787 5.458 ( 0.000 0.000 6.173) 6.173 5.935 ( -0.000 -0.000 -6.206) 6.206 5.943 ( -0.000 -0.000 -20.045) 20.045 6.121 ( 0.000 0.000 5.850) 5.850 6.151 ( 0.000 0.000 15.682) 15.682 6.687 ( 0.000 0.000 1.638) 1.638 6.697 ( 0.000 0.000 0.099) 0.099 7.107 ( -0.000 -0.000 -16.181) 16.181 7.311 ( -0.000 -0.000 -11.785) 11.785 7.465 ( -0.000 -0.000 -2.924) 2.924 7.523 ( -0.000 -0.000 -7.273) 7.273 7.715 ( 0.000 0.000 10.756) 10.756 7.742 ( -0.000 -0.000 -12.545) 12.545 8.182 ( 0.000 0.000 16.174) 16.174 8.361 ( 0.000 0.000 4.313) 4.313 8.399 ( 0.000 0.000 5.010) 5.010 8.820 ( -0.000 -0.000 -9.323) 9.323 8.905 ( 0.000 0.000 4.310) 4.310 9.107 ( 0.000 0.000 17.866) 17.866 9.272 ( -0.000 -0.000 -12.176) 12.176 9.371 ( 0.000 0.000 3.931) 3.931 9.632 ( -0.000 -0.000 -3.457) 3.457 9.701 ( 0.000 0.000 5.160) 5.160 9.875 ( 0.000 0.000 17.173) 17.173 9.964 ( -0.000 -0.000 -4.954) 4.954 10.191 ( -0.000 -0.000 -11.738) 11.738 10.308 ( -0.000 -0.000 -10.609) 10.609 10.736 ( -0.000 -0.000 -9.257) 9.257 11.450 ( -0.000 -0.000 -7.491) 7.491 11.683 ( 0.000 0.000 18.757) 18.757 11.927 ( -0.000 -0.000 -1.687) 1.687 12.521 ( 0.000 0.000 1.805) 1.805 12.827 ( -0.000 -0.000 -17.468) 17.468 12.837 ( -0.000 -0.000 -11.141) 11.141 14.604 ( 0.000 0.000 19.985) 19.985 15.083 ( 0.000 0.000 33.809) 33.809 16.284 ( 0.000 0.000 26.368) 26.368 17.081 ( -0.000 -0.000 -6.260) 6.260 17.145 ( 0.000 0.000 2.849) 2.849 17.316 ( -0.000 -0.000 -14.291) 14.291 17.555 ( 0.000 0.000 6.234) 6.234 18.741 ( -0.000 -0.000 -41.822) 41.822 19.268 ( 0.000 0.000 10.112) 10.112 19.302 ( 0.000 0.000 22.218) 22.218 19.782 ( 0.000 0.000 4.000) 4.000 20.138 ( 0.000 0.000 3.202) 3.202 20.347 ( -0.000 -0.000 -40.189) 40.189 21.377 ( 0.000 0.000 5.522) 5.522 22.454 ( 0.000 0.000 16.208) 16.208 24.095 ( -0.000 -0.000 -12.137) 12.137 24.106 ( 0.000 0.000 2.049) 2.049 24.636 ( 0.000 0.000 2.792) 2.792 24.764 ( -0.000 -0.000 -7.352) 7.352 25.053 ( -0.000 -0.000 -3.569) 3.569 ======================= Grid point 176 (91/96) ======================= q-point: (-0.50 0.64 -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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.58e-05 8.58e-05 Number of triplets: 147 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.520 ( -2.575 -0.000 3.228) 4.129 1.602 ( 0.393 0.000 5.137) 5.152 1.615 ( -0.153 0.000 2.397) 2.402 1.639 ( 1.192 0.000 0.448) 1.273 2.231 ( -1.498 -0.000 -0.904) 1.749 2.386 ( -7.282 -0.000 -3.027) 7.886 2.490 ( 4.499 0.000 -1.404) 4.713 2.933 ( -4.569 -0.000 -29.157) 29.513 3.043 ( -1.683 0.000 12.758) 12.868 3.134 ( 1.973 0.000 7.759) 8.006 3.281 ( 4.423 0.000 -4.363) 6.213 4.000 ( -0.773 0.000 6.243) 6.290 4.587 ( 5.044 0.000 -7.237) 8.821 4.679 ( -12.335 -0.000 -16.543) 20.635 4.733 ( -22.823 -0.000 5.266) 23.422 5.068 ( 1.512 -0.000 -7.851) 7.995 5.115 ( -15.987 -0.000 0.082) 15.988 5.233 ( 0.032 0.000 0.790) 0.791 5.386 ( 6.110 0.000 -0.674) 6.147 5.773 ( -0.474 0.000 5.607) 5.627 6.025 ( -5.866 -0.000 -6.359) 8.652 6.324 ( 10.716 0.000 -1.542) 10.827 6.394 ( 3.052 0.000 -4.707) 5.610 6.699 ( 10.695 0.000 -7.372) 12.990 6.832 ( 8.589 0.000 -0.316) 8.595 7.121 ( -4.821 -0.000 15.645) 16.371 7.236 ( -15.665 -0.000 -1.867) 15.776 7.556 ( 4.505 0.000 -1.673) 4.806 7.559 ( -7.369 -0.000 -1.691) 7.560 7.640 ( -0.311 0.000 19.194) 19.197 7.657 ( -3.091 -0.000 -1.921) 3.639 8.156 ( 8.245 0.000 -6.670) 10.605 8.252 ( 3.447 0.000 5.189) 6.229 8.549 ( 20.271 0.000 -2.372) 20.410 8.638 ( -20.158 -0.000 2.947) 20.372 8.763 ( 1.869 0.000 10.928) 11.087 8.891 ( -7.782 -0.000 -3.173) 8.404 9.004 ( -13.951 -0.000 4.425) 14.636 9.305 ( -4.407 -0.000 -0.371) 4.423 9.677 ( 7.345 0.000 -3.895) 8.314 9.747 ( 3.382 0.000 -1.466) 3.686 10.058 ( 17.403 0.000 -3.490) 17.750 10.070 ( -18.458 -0.000 -2.187) 18.587 10.287 ( 22.388 0.000 3.808) 22.709 10.872 ( 17.191 0.000 -16.707) 23.972 11.014 ( 2.612 0.000 -11.757) 12.044 11.413 ( 2.956 0.000 5.115) 5.908 11.546 ( 1.009 0.000 4.625) 4.734 11.967 ( -1.197 -0.000 -2.080) 2.400 12.466 ( -1.900 -0.000 1.399) 2.359 13.148 ( 0.669 -0.000 -18.222) 18.234 13.262 ( 2.534 -0.000 -22.173) 22.317 14.207 ( 2.540 0.000 20.322) 20.481 14.421 ( 3.005 0.000 33.299) 33.434 15.862 ( -1.189 0.000 12.699) 12.755 17.000 ( -2.915 -0.000 6.198) 6.849 17.096 ( -7.920 -0.000 -2.755) 8.386 17.484 ( -4.997 -0.000 -6.641) 8.311 17.490 ( 3.243 0.000 2.632) 4.177 18.887 ( -1.585 0.000 9.590) 9.720 19.148 ( 6.753 0.000 6.865) 9.629 19.538 ( 12.226 0.000 -20.514) 23.881 20.110 ( 18.570 0.000 -8.717) 20.514 20.120 ( -1.106 -0.000 -3.700) 3.862 20.983 ( -5.236 -0.000 -15.720) 16.569 21.239 ( -7.561 -0.000 -5.634) 9.429 22.138 ( 9.432 0.000 18.937) 21.156 23.992 ( -6.830 -0.000 2.141) 7.157 24.264 ( -3.909 -0.000 -8.370) 9.237 24.542 ( -2.348 -0.000 4.552) 5.121 24.730 ( -6.411 -0.000 2.238) 6.791 25.114 ( -5.478 -0.000 -6.031) 8.147 ======================= Grid point 178 (92/96) ======================= q-point: ( 0.36 -0.36 -0.36) 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.58e-05 8.58e-05 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.527 ( 6.273 0.000 0.000) 6.273 1.594 ( 0.583 0.000 0.000) 0.583 1.609 ( 2.017 0.000 0.000) 2.017 1.660 ( 1.242 0.000 0.000) 1.242 2.169 ( -2.376 -0.000 -0.000) 2.376 2.207 ( -9.597 -0.000 -0.000) 9.597 2.778 ( -6.086 -0.000 -0.000) 6.086 2.802 ( 24.335 0.000 0.000) 24.335 3.026 ( -0.534 -0.000 -0.000) 0.534 3.490 ( -2.746 -0.000 -0.000) 2.746 3.562 ( 19.525 0.000 0.000) 19.525 3.615 ( -0.878 -0.000 -0.000) 0.878 3.958 ( -38.598 -0.000 -0.000) 38.598 4.729 ( -23.690 -0.000 -0.000) 23.690 4.783 ( -10.372 -0.000 -0.000) 10.372 4.860 ( -21.746 -0.000 -0.000) 21.746 5.076 ( 21.154 0.000 0.000) 21.154 5.216 ( -2.789 -0.000 -0.000) 2.789 5.497 ( 4.687 0.000 0.000) 4.687 5.646 ( -8.221 -0.000 -0.000) 8.221 6.023 ( 1.975 0.000 0.000) 1.975 6.315 ( -9.347 -0.000 -0.000) 9.347 6.597 ( -11.475 -0.000 -0.000) 11.475 6.658 ( 3.314 0.000 0.000) 3.314 6.687 ( -12.021 -0.000 -0.000) 12.021 6.875 ( -24.103 -0.000 -0.000) 24.103 7.208 ( 15.468 0.000 0.000) 15.468 7.431 ( 8.093 0.000 0.000) 8.093 7.522 ( -1.983 -0.000 -0.000) 1.983 7.642 ( 15.950 0.000 0.000) 15.950 7.718 ( 0.290 0.000 0.000) 0.290 8.170 ( -22.142 -0.000 -0.000) 22.142 8.316 ( 1.946 0.000 0.000) 1.946 8.374 ( -7.271 -0.000 -0.000) 7.271 8.712 ( -14.099 -0.000 -0.000) 14.099 8.747 ( 15.556 0.000 0.000) 15.556 8.920 ( 12.688 0.000 0.000) 12.688 8.931 ( 13.074 0.000 0.000) 13.074 9.217 ( -6.365 -0.000 -0.000) 6.365 9.663 ( -13.355 -0.000 -0.000) 13.355 9.841 ( -2.327 -0.000 -0.000) 2.327 9.915 ( 10.931 0.000 0.000) 10.931 10.506 ( 15.363 0.000 0.000) 15.363 10.637 ( 23.583 0.000 0.000) 23.583 11.229 ( 7.758 0.000 0.000) 7.758 11.304 ( -13.307 -0.000 -0.000) 13.307 11.488 ( 12.477 0.000 0.000) 12.477 11.517 ( 17.651 0.000 0.000) 17.651 11.964 ( 0.359 0.000 0.000) 0.359 12.407 ( -2.509 -0.000 -0.000) 2.509 13.383 ( -4.261 -0.000 -0.000) 4.261 13.704 ( -0.691 -0.000 -0.000) 0.691 13.986 ( 8.454 0.000 0.000) 8.454 14.051 ( 9.778 0.000 0.000) 9.778 15.720 ( -0.835 -0.000 -0.000) 0.835 16.853 ( -5.268 -0.000 -0.000) 5.268 16.904 ( -14.670 -0.000 -0.000) 14.670 17.403 ( -9.744 -0.000 -0.000) 9.744 17.564 ( 6.884 0.000 0.000) 6.884 18.881 ( 8.836 0.000 0.000) 8.836 19.264 ( 12.022 0.000 0.000) 12.022 20.152 ( 29.946 0.000 0.000) 29.946 20.189 ( 1.950 0.000 0.000) 1.950 20.451 ( 8.361 0.000 0.000) 8.361 20.701 ( -24.219 -0.000 -0.000) 24.219 21.347 ( -2.254 -0.000 -0.000) 2.254 22.261 ( 23.547 0.000 0.000) 23.547 23.777 ( -12.056 -0.000 -0.000) 12.056 24.274 ( -7.477 -0.000 -0.000) 7.477 24.386 ( -4.725 -0.000 -0.000) 4.725 24.525 ( -11.777 -0.000 -0.000) 11.777 25.042 ( -8.228 -0.000 -0.000) 8.228 ======================= Grid point 197 (93/96) ======================= q-point: ( 0.40 -0.40 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.58e-05 8.58e-05 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.405 ( 0.000 6.726 -0.000) 6.726 1.517 ( 0.000 7.299 -0.000) 7.299 1.572 ( -0.000 -0.279 0.000) 0.279 1.725 ( -0.000 -7.362 0.000) 7.362 2.277 ( -0.000 -1.394 0.000) 1.394 2.384 ( 0.000 2.397 -0.000) 2.397 2.421 ( 0.000 22.436 -0.000) 22.436 2.553 ( 0.000 2.719 -0.000) 2.719 3.300 ( 0.000 2.297 -0.000) 2.297 3.447 ( -0.000 -25.707 0.000) 25.707 3.635 ( -0.000 -3.005 0.000) 3.005 3.691 ( -0.000 -2.828 0.000) 2.828 4.647 ( -0.000 -5.768 0.000) 5.768 4.696 ( 0.000 33.821 -0.000) 33.821 4.699 ( 0.000 32.202 -0.000) 32.202 4.970 ( -0.000 -2.347 0.000) 2.347 5.187 ( -0.000 -1.738 0.000) 1.738 5.239 ( 0.000 6.509 -0.000) 6.509 5.361 ( -0.000 -1.747 0.000) 1.747 5.897 ( -0.000 -1.798 0.000) 1.798 6.171 ( -0.000 -8.299 0.000) 8.299 6.260 ( 0.000 9.309 -0.000) 9.309 6.473 ( 0.000 13.410 -0.000) 13.410 6.577 ( 0.000 14.127 -0.000) 14.127 6.767 ( 0.000 12.294 -0.000) 12.294 6.797 ( -0.000 -12.871 0.000) 12.871 6.843 ( 0.000 1.052 -0.000) 1.052 7.486 ( 0.000 10.688 -0.000) 10.688 7.545 ( 0.000 14.438 -0.000) 14.438 7.678 ( 0.000 6.245 -0.000) 6.245 7.734 ( -0.000 -4.316 0.000) 4.316 7.941 ( -0.000 -1.505 0.000) 1.505 8.241 ( -0.000 -1.352 0.000) 1.352 8.473 ( 0.000 17.516 -0.000) 17.516 8.557 ( 0.000 20.462 -0.000) 20.462 8.913 ( -0.000 -42.772 0.000) 42.772 8.968 ( 0.000 5.275 -0.000) 5.275 9.126 ( 0.000 4.127 -0.000) 4.127 9.151 ( 0.000 26.667 -0.000) 26.667 9.448 ( -0.000 -7.639 0.000) 7.639 9.649 ( -0.000 -5.937 0.000) 5.937 10.050 ( -0.000 -12.495 0.000) 12.495 10.097 ( 0.000 5.456 -0.000) 5.456 10.715 ( -0.000 -15.288 0.000) 15.288 10.795 ( -0.000 -8.457 0.000) 8.457 11.308 ( -0.000 -16.734 0.000) 16.734 11.316 ( -0.000 -11.815 0.000) 11.815 11.629 ( -0.000 -2.919 0.000) 2.919 11.940 ( 0.000 7.108 -0.000) 7.108 12.461 ( 0.000 0.403 -0.000) 0.403 13.469 ( -0.000 -1.533 0.000) 1.533 13.679 ( 0.000 4.120 -0.000) 4.120 13.891 ( -0.000 -9.137 0.000) 9.137 13.944 ( -0.000 -9.064 0.000) 9.064 15.743 ( -0.000 -0.759 0.000) 0.759 16.888 ( 0.000 6.692 -0.000) 6.692 17.257 ( -0.000 -5.864 0.000) 5.864 17.359 ( 0.000 5.896 -0.000) 5.896 17.616 ( 0.000 0.184 -0.000) 0.184 18.153 ( 0.000 32.793 -0.000) 32.793 19.557 ( -0.000 -5.215 0.000) 5.215 19.733 ( -0.000 -42.568 0.000) 42.568 20.222 ( -0.000 -7.344 0.000) 7.344 20.295 ( -0.000 -1.272 0.000) 1.272 21.193 ( 0.000 0.636 -0.000) 0.636 21.387 ( 0.000 0.503 -0.000) 0.503 21.820 ( -0.000 -7.259 0.000) 7.259 24.037 ( 0.000 0.124 -0.000) 0.124 24.354 ( 0.000 7.272 -0.000) 7.272 24.410 ( 0.000 7.449 -0.000) 7.449 24.712 ( 0.000 5.029 -0.000) 5.029 25.184 ( 0.000 5.300 -0.000) 5.300 ======================= Grid point 211 (94/96) ======================= q-point: ( 0.57 -0.43 0.43) 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.58e-05 8.58e-05 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.554 ( -0.000 -0.000 -0.710) 0.710 1.619 ( 0.000 0.000 2.794) 2.794 1.623 ( 0.000 0.000 11.364) 11.364 1.625 ( 0.000 0.000 0.081) 0.081 2.248 ( -0.000 -0.000 -2.673) 2.673 2.382 ( -0.000 -0.000 -2.373) 2.373 2.540 ( -0.000 -0.000 -2.970) 2.970 2.974 ( -0.000 -0.000 -33.486) 33.486 3.065 ( 0.000 0.000 19.758) 19.758 3.113 ( 0.000 0.000 8.250) 8.250 3.274 ( -0.000 -0.000 -5.025) 5.025 4.004 ( 0.000 0.000 1.646) 1.646 4.505 ( -0.000 -0.000 -2.761) 2.761 4.791 ( -0.000 -0.000 -11.772) 11.772 5.008 ( -0.000 -0.000 -7.541) 7.541 5.108 ( -0.000 -0.000 -1.288) 1.288 5.149 ( -0.000 -0.000 -1.705) 1.705 5.240 ( 0.000 0.000 0.729) 0.729 5.346 ( 0.000 0.000 2.406) 2.406 5.907 ( 0.000 0.000 6.367) 6.367 6.046 ( 0.000 0.000 2.447) 2.447 6.182 ( -0.000 -0.000 -18.051) 18.051 6.249 ( -0.000 -0.000 -9.693) 9.693 6.639 ( 0.000 0.000 2.270) 2.270 6.716 ( -0.000 -0.000 -1.383) 1.383 7.225 ( 0.000 0.000 24.118) 24.118 7.315 ( 0.000 0.000 21.161) 21.161 7.459 ( -0.000 -0.000 -16.477) 16.477 7.562 ( -0.000 -0.000 -11.708) 11.708 7.707 ( -0.000 -0.000 -1.103) 1.103 7.916 ( 0.000 0.000 4.358) 4.358 8.044 ( -0.000 -0.000 -15.266) 15.266 8.204 ( 0.000 0.000 9.240) 9.240 8.215 ( 0.000 0.000 10.486) 10.486 8.749 ( 0.000 0.000 7.588) 7.588 8.857 ( 0.000 0.000 5.205) 5.205 8.971 ( -0.000 -0.000 -4.984) 4.984 9.344 ( 0.000 0.000 6.255) 6.255 9.347 ( 0.000 0.000 0.510) 0.510 9.612 ( 0.000 0.000 1.745) 1.745 9.659 ( 0.000 0.000 4.632) 4.632 9.697 ( -0.000 -0.000 -2.340) 2.340 10.100 ( -0.000 -0.000 -5.725) 5.725 10.394 ( -0.000 -0.000 -7.514) 7.514 10.561 ( -0.000 -0.000 -12.560) 12.560 10.993 ( -0.000 -0.000 -12.928) 12.928 11.349 ( 0.000 0.000 13.381) 13.381 11.571 ( -0.000 -0.000 -3.492) 3.492 11.981 ( -0.000 -0.000 -2.754) 2.754 12.486 ( 0.000 0.000 1.596) 1.596 13.140 ( -0.000 -0.000 -18.729) 18.729 13.236 ( -0.000 -0.000 -22.798) 22.798 14.183 ( 0.000 0.000 21.301) 21.301 14.392 ( 0.000 0.000 33.147) 33.147 15.874 ( 0.000 0.000 13.656) 13.656 17.029 ( 0.000 0.000 6.454) 6.454 17.171 ( -0.000 -0.000 -2.761) 2.761 17.456 ( 0.000 0.000 3.395) 3.395 17.532 ( -0.000 -0.000 -6.917) 6.917 18.936 ( 0.000 0.000 13.005) 13.005 19.081 ( 0.000 0.000 7.083) 7.083 19.410 ( -0.000 -0.000 -15.077) 15.077 19.911 ( -0.000 -0.000 -22.086) 22.086 20.132 ( -0.000 -0.000 -1.293) 1.293 21.023 ( -0.000 -0.000 -23.071) 23.071 21.325 ( -0.000 -0.000 -0.740) 0.740 22.046 ( 0.000 0.000 22.214) 22.214 24.059 ( 0.000 0.000 2.142) 2.142 24.303 ( -0.000 -0.000 -8.477) 8.477 24.565 ( 0.000 0.000 4.226) 4.226 24.792 ( 0.000 0.000 2.089) 2.089 25.170 ( -0.000 -0.000 -5.936) 5.936 ======================= Grid point 213 (95/96) ======================= q-point: (-0.57 0.57 -0.43) 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.58e-05 8.58e-05 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.457 ( -0.971 -0.000 -0.000) 0.971 1.575 ( 1.368 0.000 0.000) 1.368 1.588 ( 0.050 0.000 0.000) 0.050 1.635 ( 1.139 0.000 0.000) 1.139 2.227 ( -3.103 -0.000 -0.000) 3.103 2.423 ( -6.920 -0.000 -0.000) 6.920 2.506 ( 3.433 0.000 0.000) 3.433 2.841 ( -1.425 -0.000 -0.000) 1.425 3.009 ( 1.704 0.000 0.000) 1.704 3.330 ( 4.278 0.000 0.000) 4.278 3.596 ( -6.110 -0.000 -0.000) 6.110 3.613 ( 0.457 0.000 0.000) 0.457 4.653 ( -32.303 -0.000 -0.000) 32.303 4.729 ( 13.662 0.000 0.000) 13.662 4.922 ( -3.417 -0.000 -0.000) 3.417 5.129 ( -5.369 -0.000 -0.000) 5.369 5.138 ( -16.610 -0.000 -0.000) 16.610 5.203 ( 3.466 0.000 0.000) 3.466 5.396 ( 4.870 0.000 0.000) 4.870 5.706 ( -1.044 -0.000 -0.000) 1.044 6.119 ( -12.423 -0.000 -0.000) 12.423 6.398 ( -5.317 -0.000 -0.000) 5.317 6.415 ( 20.609 0.000 0.000) 20.609 6.806 ( -9.023 -0.000 -0.000) 9.023 6.811 ( 6.210 0.000 0.000) 6.210 6.981 ( 13.826 0.000 0.000) 13.826 6.987 ( 9.816 0.000 0.000) 9.816 7.512 ( -7.571 -0.000 -0.000) 7.571 7.575 ( -23.116 -0.000 -0.000) 23.116 7.607 ( -7.040 -0.000 -0.000) 7.040 7.693 ( 1.867 0.000 0.000) 1.867 8.181 ( 7.943 0.000 0.000) 7.943 8.361 ( 21.745 0.000 0.000) 21.745 8.418 ( 6.102 0.000 0.000) 6.102 8.617 ( -18.921 -0.000 -0.000) 18.921 8.711 ( 5.993 0.000 0.000) 5.993 8.930 ( -12.526 -0.000 -0.000) 12.526 8.935 ( -8.572 -0.000 -0.000) 8.572 9.310 ( -3.191 -0.000 -0.000) 3.191 9.703 ( 9.816 0.000 0.000) 9.816 9.762 ( 2.270 0.000 0.000) 2.270 10.085 ( 31.382 0.000 0.000) 31.382 10.093 ( -22.245 -0.000 -0.000) 22.245 10.259 ( 9.689 0.000 0.000) 9.689 11.111 ( 23.725 0.000 0.000) 23.725 11.152 ( 1.455 0.000 0.000) 1.455 11.267 ( 7.777 0.000 0.000) 7.777 11.527 ( -7.450 -0.000 -0.000) 7.450 11.990 ( -2.043 -0.000 -0.000) 2.043 12.449 ( -1.725 -0.000 -0.000) 1.725 13.439 ( -1.712 -0.000 -0.000) 1.712 13.714 ( -0.300 -0.000 -0.000) 0.300 13.853 ( 5.038 0.000 0.000) 5.038 13.904 ( 5.351 0.000 0.000) 5.351 15.731 ( -0.382 -0.000 -0.000) 0.382 16.928 ( -2.560 -0.000 -0.000) 2.560 17.123 ( -7.625 -0.000 -0.000) 7.625 17.464 ( 3.761 0.000 0.000) 3.761 17.550 ( -5.297 -0.000 -0.000) 5.297 18.786 ( 0.749 0.000 0.000) 0.749 19.074 ( 6.929 0.000 0.000) 6.929 19.687 ( 17.888 0.000 0.000) 17.888 20.160 ( 1.027 0.000 0.000) 1.027 20.326 ( 4.467 0.000 0.000) 4.467 21.077 ( -13.745 -0.000 -0.000) 13.745 21.380 ( -1.180 -0.000 -0.000) 1.180 21.886 ( 14.411 0.000 0.000) 14.411 23.965 ( -7.065 -0.000 -0.000) 7.065 24.386 ( -4.042 -0.000 -0.000) 4.042 24.458 ( -2.667 -0.000 -0.000) 2.667 24.701 ( -6.227 -0.000 -0.000) 6.227 25.180 ( -5.526 -0.000 -0.000) 5.526 ======================= Grid point 248 (96/96) ======================= q-point: (-0.50 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.58e-05 8.58e-05 Number of triplets: 48 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.499 ( -0.000 0.000 0.000) 0.000 1.561 ( -0.000 0.000 -0.000) 0.000 1.588 ( -0.000 0.000 0.000) 0.000 1.623 ( -0.000 0.000 0.000) 0.000 2.262 ( 0.000 0.000 0.000) 0.000 2.407 ( -0.000 0.000 0.000) 0.000 2.576 ( -0.000 0.000 -0.000) 0.000 2.853 ( -0.000 0.000 0.000) 0.000 2.988 ( -0.000 0.000 0.000) 0.000 3.326 ( -0.000 0.000 -0.000) 0.000 3.608 ( 0.000 0.000 0.000) 0.000 3.663 ( -0.000 0.000 0.000) 0.000 4.591 ( -0.000 0.000 0.000) 0.000 4.945 ( 0.000 0.000 0.000) 0.000 5.086 ( 0.000 0.000 -0.000) 0.000 5.138 ( -0.000 0.000 -0.000) 0.000 5.146 ( -0.000 0.000 0.000) 0.000 5.213 ( 0.000 0.000 -0.000) 0.000 5.344 ( -0.000 0.000 0.000) 0.000 5.880 ( -0.000 0.000 -0.000) 0.000 6.019 ( 0.000 0.000 -0.000) 0.000 6.344 ( 0.000 0.000 0.000) 0.000 6.553 ( 0.000 0.000 0.000) 0.000 6.614 ( 0.000 0.000 0.000) 0.000 6.738 ( 0.000 0.000 -0.000) 0.000 6.866 ( 0.000 0.000 -0.000) 0.000 6.900 ( 0.000 0.000 0.000) 0.000 7.669 ( -0.000 0.000 0.000) 0.000 7.705 ( 0.000 0.000 0.000) 0.000 7.711 ( 0.000 0.000 0.000) 0.000 7.930 ( -0.000 0.000 0.000) 0.000 8.070 ( -0.000 0.000 0.000) 0.000 8.071 ( -0.000 0.000 0.000) 0.000 8.222 ( -0.000 0.000 -0.000) 0.000 8.682 ( -0.000 0.000 0.000) 0.000 8.821 ( -0.000 0.000 -0.000) 0.000 9.021 ( 0.000 0.000 0.000) 0.000 9.213 ( 0.000 0.000 -0.000) 0.000 9.340 ( 0.000 0.000 0.000) 0.000 9.603 ( 0.000 0.000 0.000) 0.000 9.621 ( -0.000 0.000 0.000) 0.000 9.721 ( -0.000 0.000 0.000) 0.000 10.161 ( 0.000 0.000 0.000) 0.000 10.474 ( 0.000 0.000 -0.000) 0.000 10.720 ( 0.000 0.000 0.000) 0.000 11.142 ( 0.000 0.000 0.000) 0.000 11.189 ( -0.000 0.000 0.000) 0.000 11.600 ( 0.000 0.000 0.000) 0.000 12.013 ( -0.000 0.000 -0.000) 0.000 12.467 ( -0.000 0.000 0.000) 0.000 13.454 ( -0.000 0.000 0.000) 0.000 13.717 ( 0.000 0.000 0.000) 0.000 13.803 ( -0.000 0.000 0.000) 0.000 13.852 ( -0.000 0.000 0.000) 0.000 15.735 ( 0.000 0.000 0.000) 0.000 16.952 ( 0.000 0.000 0.000) 0.000 17.198 ( -0.000 0.000 -0.000) 0.000 17.421 ( -0.000 0.000 -0.000) 0.000 17.601 ( 0.000 0.000 0.000) 0.000 18.800 ( 0.000 0.000 0.000) 0.000 19.007 ( -0.000 0.000 0.000) 0.000 19.502 ( 0.000 0.000 0.000) 0.000 20.150 ( 0.000 0.000 0.000) 0.000 20.283 ( 0.000 0.000 0.000) 0.000 21.211 ( -0.000 0.000 -0.000) 0.000 21.392 ( 0.000 0.000 0.000) 0.000 21.742 ( 0.000 0.000 0.000) 0.000 24.035 ( -0.000 0.000 -0.000) 0.000 24.425 ( 0.000 0.000 0.000) 0.000 24.485 ( 0.000 0.000 0.000) 0.000 24.761 ( -0.000 0.000 0.000) 0.000 25.236 ( 0.000 0.000 0.000) 0.000 =================== End of collection of collisions =================== ----------- Thermal conductivity (W/m-k) with tetrahedron method ----------- # T(K) xx yy zz yz xz xy #ipm 0.0 0.000 0.000 0.000 0.000 0.000 0.000 3/35280 10.0 129.643 52.604 41.489 -0.000 0.000 0.000 3/35280 20.0 21.213 15.069 10.021 -0.000 0.000 0.000 3/35280 30.0 9.758 7.947 5.795 0.000 0.000 0.000 3/35280 40.0 6.366 5.287 4.172 0.000 0.000 0.000 3/35280 50.0 4.837 4.004 3.331 0.000 0.000 0.000 3/35280 60.0 3.962 3.265 2.812 0.000 0.000 0.000 3/35280 70.0 3.385 2.783 2.456 0.000 0.000 0.000 3/35280 80.0 2.971 2.441 2.197 0.000 0.000 0.000 3/35280 90.0 2.657 2.184 2.000 0.000 0.000 0.000 3/35280 100.0 2.410 1.984 1.848 0.000 0.000 0.000 3/35280 110.0 2.209 1.822 1.727 0.000 0.000 0.000 3/35280 120.0 2.044 1.689 1.630 0.000 0.000 0.000 3/35280 130.0 1.905 1.578 1.550 0.000 0.000 0.000 3/35280 140.0 1.787 1.483 1.484 0.000 0.000 0.000 3/35280 150.0 1.685 1.401 1.428 0.000 0.000 0.000 3/35280 160.0 1.596 1.330 1.380 0.000 0.000 0.000 3/35280 170.0 1.518 1.267 1.338 0.000 0.000 0.000 3/35280 180.0 1.449 1.212 1.301 0.000 0.000 0.000 3/35280 190.0 1.388 1.163 1.267 0.000 0.000 0.000 3/35280 200.0 1.333 1.119 1.236 0.000 0.000 0.000 3/35280 210.0 1.283 1.078 1.208 0.000 0.000 0.000 3/35280 220.0 1.237 1.042 1.181 0.000 0.000 0.000 3/35280 230.0 1.196 1.008 1.156 0.000 0.000 0.000 3/35280 240.0 1.157 0.977 1.132 0.000 0.000 0.000 3/35280 250.0 1.122 0.948 1.110 0.000 0.000 0.000 3/35280 260.0 1.089 0.921 1.088 0.000 0.000 0.000 3/35280 270.0 1.058 0.896 1.067 0.000 0.000 0.000 3/35280 280.0 1.029 0.873 1.046 0.000 0.000 0.000 3/35280 290.0 1.001 0.851 1.026 0.000 0.000 0.000 3/35280 300.0 0.976 0.830 1.007 0.000 0.000 0.000 3/35280 310.0 0.951 0.810 0.988 0.000 0.000 0.000 3/35280 320.0 0.928 0.791 0.970 0.000 0.000 0.000 3/35280 330.0 0.906 0.773 0.952 0.000 0.000 0.000 3/35280 340.0 0.885 0.755 0.935 0.000 0.000 0.000 3/35280 350.0 0.865 0.739 0.918 0.000 0.000 0.000 3/35280 360.0 0.846 0.723 0.902 0.000 0.000 0.000 3/35280 370.0 0.828 0.708 0.886 0.000 0.000 0.000 3/35280 380.0 0.810 0.694 0.871 0.000 0.000 0.000 3/35280 390.0 0.794 0.680 0.856 0.000 0.000 0.000 3/35280 400.0 0.778 0.666 0.841 0.000 0.000 0.000 3/35280 410.0 0.762 0.653 0.827 0.000 0.000 0.000 3/35280 420.0 0.747 0.641 0.813 0.000 0.000 0.000 3/35280 430.0 0.733 0.629 0.800 0.000 0.000 0.000 3/35280 440.0 0.719 0.617 0.786 0.000 0.000 0.000 3/35280 450.0 0.706 0.606 0.774 0.000 0.000 0.000 3/35280 460.0 0.693 0.595 0.761 0.000 0.000 0.000 3/35280 470.0 0.681 0.585 0.749 0.000 0.000 0.000 3/35280 480.0 0.669 0.575 0.737 0.000 0.000 0.000 3/35280 490.0 0.657 0.565 0.726 0.000 0.000 0.000 3/35280 500.0 0.646 0.556 0.714 0.000 0.000 0.000 3/35280 510.0 0.635 0.547 0.704 0.000 0.000 0.000 3/35280 520.0 0.624 0.538 0.693 0.000 0.000 0.000 3/35280 530.0 0.614 0.529 0.683 0.000 0.000 0.000 3/35280 540.0 0.604 0.521 0.672 0.000 0.000 0.000 3/35280 550.0 0.595 0.513 0.663 0.000 0.000 0.000 3/35280 560.0 0.585 0.505 0.653 0.000 0.000 0.000 3/35280 570.0 0.576 0.497 0.644 0.000 0.000 0.000 3/35280 580.0 0.568 0.490 0.635 0.000 0.000 0.000 3/35280 590.0 0.559 0.482 0.626 0.000 0.000 0.000 3/35280 600.0 0.551 0.475 0.617 0.000 0.000 0.000 3/35280 610.0 0.543 0.469 0.609 0.000 0.000 0.000 3/35280 620.0 0.535 0.462 0.600 0.000 0.000 0.000 3/35280 630.0 0.527 0.455 0.592 0.000 0.000 0.000 3/35280 640.0 0.520 0.449 0.584 0.000 0.000 0.000 3/35280 650.0 0.513 0.443 0.577 0.000 0.000 0.000 3/35280 660.0 0.506 0.437 0.569 0.000 0.000 0.000 3/35280 670.0 0.499 0.431 0.562 0.000 0.000 0.000 3/35280 680.0 0.492 0.425 0.555 0.000 0.000 0.000 3/35280 690.0 0.486 0.420 0.548 0.000 0.000 0.000 3/35280 700.0 0.479 0.414 0.541 0.000 0.000 0.000 3/35280 710.0 0.473 0.409 0.534 0.000 0.000 0.000 3/35280 720.0 0.467 0.404 0.528 0.000 0.000 0.000 3/35280 730.0 0.461 0.399 0.521 0.000 0.000 0.000 3/35280 740.0 0.456 0.394 0.515 0.000 0.000 0.000 3/35280 750.0 0.450 0.389 0.509 0.000 0.000 0.000 3/35280 760.0 0.445 0.385 0.503 0.000 0.000 0.000 3/35280 770.0 0.439 0.380 0.497 0.000 0.000 0.000 3/35280 780.0 0.434 0.376 0.492 0.000 0.000 0.000 3/35280 790.0 0.429 0.371 0.486 0.000 0.000 0.000 3/35280 800.0 0.424 0.367 0.481 0.000 0.000 0.000 3/35280 810.0 0.419 0.363 0.475 0.000 0.000 0.000 3/35280 820.0 0.414 0.359 0.470 0.000 0.000 0.000 3/35280 830.0 0.410 0.355 0.465 0.000 0.000 0.000 3/35280 840.0 0.405 0.351 0.460 0.000 0.000 0.000 3/35280 850.0 0.401 0.347 0.455 0.000 0.000 0.000 3/35280 860.0 0.396 0.343 0.450 0.000 0.000 0.000 3/35280 870.0 0.392 0.339 0.445 0.000 0.000 0.000 3/35280 880.0 0.388 0.336 0.441 0.000 0.000 0.000 3/35280 890.0 0.384 0.332 0.436 0.000 0.000 0.000 3/35280 900.0 0.380 0.329 0.432 0.000 0.000 0.000 3/35280 910.0 0.376 0.325 0.427 0.000 0.000 0.000 3/35280 920.0 0.372 0.322 0.423 0.000 0.000 0.000 3/35280 930.0 0.368 0.319 0.419 0.000 0.000 0.000 3/35280 940.0 0.364 0.316 0.415 0.000 0.000 0.000 3/35280 950.0 0.361 0.313 0.411 0.000 0.000 0.000 3/35280 960.0 0.357 0.310 0.407 0.000 0.000 0.000 3/35280 970.0 0.354 0.306 0.403 0.000 0.000 0.000 3/35280 980.0 0.350 0.304 0.399 0.000 0.000 0.000 3/35280 990.0 0.347 0.301 0.395 0.000 0.000 0.000 3/35280 1000.0 0.344 0.298 0.392 0.000 0.000 0.000 3/35280 Thermal conductivity related properties were written into "kappa-m1770.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 02:28:48]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|