----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-08 16:24:03]------------------------- Compiled with OpenMP support (max 48 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 2 1] Primitive matrix: [0.5 0.5 0. ] [-0.5 0.5 0. ] [0. 0. 1.] Spacegroup: C2/c (15) Number of symmetry operations in supercell: 16 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 6.987471885021156 -3.194346665000000 0.000000000000000 b 6.987471885021156 3.194346665000000 0.000000000000000 c -1.249790564320766 0.000000000000000 8.665487954500623 Atomic positions (fractional): *1 Nd 0.79371470560065 0.57885116497254 0.17272067575724 144.242 2 Nd 0.42114883502746 0.20628529439935 0.32727932424276 144.242 3 Nd 0.57885116497254 0.79371470560065 0.67272067575724 144.242 *4 Nd 0.92420163925293 0.07579836074707 0.75000000000000 144.242 5 Nd 0.20628529439935 0.42114883502746 0.82727932424276 144.242 6 Nd 0.07579836074707 0.92420163925293 0.25000000000000 144.242 *7 Si 0.21162501698590 0.10465761210069 0.02603723904854 28.085 8 Si 0.10465761210069 0.21162501698590 0.52603723904854 28.085 9 Si 0.89534238789931 0.78837498301410 0.47396276095146 28.085 10 Si 0.78837498301410 0.89534238789931 0.97396276095146 28.085 *11 Cl 0.47722924424144 0.52277075575856 0.75000000000000 35.453 12 Cl 0.52277075575856 0.47722924424144 0.25000000000000 35.453 *13 O 0.95759543806852 0.73485224412023 0.65613496945815 15.999 *14 O 0.09420218002194 0.61510829832304 0.35210423859547 15.999 15 O 0.04240456193148 0.26514775587977 0.34386503054185 15.999 *16 O 0.32324773648220 0.20420286657188 0.58121498334482 15.999 *17 O 0.94686157480779 0.20475757845884 0.03426607804546 15.999 18 O 0.20420286657188 0.32324773648220 0.08121498334482 15.999 19 O 0.05313842519221 0.79524242154116 0.96573392195454 15.999 20 O 0.38489170167696 0.90579781997806 0.14789576140453 15.999 21 O 0.26514775587977 0.04240456193148 0.84386503054185 15.999 22 O 0.61510829832304 0.09420218002194 0.85210423859547 15.999 23 O 0.79524242154116 0.05313842519221 0.46573392195454 15.999 24 O 0.79579713342812 0.67675226351780 0.91878501665518 15.999 25 O 0.90579781997806 0.38489170167696 0.64789576140453 15.999 26 O 0.67675226351780 0.79579713342812 0.41878501665518 15.999 27 O 0.73485224412023 0.95759543806852 0.15613496945815 15.999 28 O 0.20475757845884 0.94686157480779 0.53426607804546 15.999 -------------------------------- unit cell --------------------------------- Lattice vectors: a 13.974943770042312 0.000000000000000 0.000000000000000 b 0.000000000000000 6.388693330000000 0.000000000000000 c -1.249790564320766 0.000000000000000 8.665487954500623 Atomic positions (fractional): *1 Nd 0.18628293528659 0.39256822968594 0.17272067575724 144.242 > 1 2 Nd 0.31371706471341 0.89256822968594 0.32727932424276 144.242 > 2 3 Nd 0.18628293528659 0.60743177031406 0.67272067575724 144.242 > 3 *4 Nd 0.00000000000000 0.07579836074707 0.75000000000000 144.242 > 4 5 Nd 0.31371706471341 0.10743177031406 0.82727932424276 144.242 > 5 6 Nd 0.00000000000000 0.92420163925293 0.25000000000000 144.242 > 6 7 Nd 0.68628293528659 0.89256822968594 0.17272067575724 144.242 > 1 8 Nd 0.81371706471341 0.39256822968594 0.32727932424276 144.242 > 2 9 Nd 0.68628293528659 0.10743177031406 0.67272067575724 144.242 > 3 10 Nd 0.50000000000000 0.57579836074707 0.75000000000000 144.242 > 4 11 Nd 0.81371706471341 0.60743177031406 0.82727932424276 144.242 > 5 12 Nd 0.50000000000000 0.42420163925293 0.25000000000000 144.242 > 6 *13 Si 0.15814131454329 0.94651629755739 0.02603723904854 28.085 > 7 14 Si 0.15814131454329 0.05348370244261 0.52603723904854 28.085 > 8 15 Si 0.34185868545671 0.44651629755739 0.47396276095146 28.085 > 9 16 Si 0.34185868545671 0.55348370244261 0.97396276095146 28.085 > 10 17 Si 0.65814131454329 0.44651629755739 0.02603723904854 28.085 > 7 18 Si 0.65814131454329 0.55348370244261 0.52603723904854 28.085 > 8 19 Si 0.84185868545671 0.94651629755739 0.47396276095146 28.085 > 9 20 Si 0.84185868545671 0.05348370244261 0.97396276095146 28.085 > 10 *21 Cl 0.00000000000000 0.52277075575856 0.75000000000000 35.453 > 11 22 Cl 0.00000000000000 0.47722924424144 0.25000000000000 35.453 > 12 23 Cl 0.50000000000000 0.02277075575856 0.75000000000000 35.453 > 11 24 Cl 0.50000000000000 0.97722924424144 0.25000000000000 35.453 > 12 *25 O 0.34622384109438 0.38862840302586 0.65613496945815 15.999 > 13 *26 O 0.35465523917249 0.26045305915055 0.35210423859547 15.999 > 14 27 O 0.15377615890562 0.11137159697414 0.34386503054185 15.999 > 15 *28 O 0.26372530152704 0.94047756504484 0.58121498334482 15.999 > 16 *29 O 0.07580957663332 0.12894800182553 0.03426607804546 15.999 > 17 30 O 0.26372530152704 0.05952243495516 0.08121498334482 15.999 > 18 31 O 0.42419042336668 0.37105199817447 0.96573392195454 15.999 > 19 32 O 0.14534476082751 0.76045305915055 0.14789576140453 15.999 > 20 33 O 0.15377615890562 0.88862840302586 0.84386503054185 15.999 > 21 34 O 0.35465523917249 0.73954694084945 0.85210423859547 15.999 > 22 35 O 0.42419042336668 0.62894800182553 0.46573392195454 15.999 > 23 36 O 0.23627469847296 0.44047756504484 0.91878501665518 15.999 > 24 37 O 0.14534476082751 0.23954694084945 0.64789576140453 15.999 > 25 38 O 0.23627469847296 0.55952243495516 0.41878501665518 15.999 > 26 39 O 0.34622384109438 0.61137159697414 0.15613496945815 15.999 > 27 40 O 0.07580957663332 0.87105199817447 0.53426607804546 15.999 > 28 41 O 0.84622384109438 0.88862840302586 0.65613496945815 15.999 > 13 42 O 0.85465523917249 0.76045305915055 0.35210423859547 15.999 > 14 43 O 0.65377615890562 0.61137159697414 0.34386503054185 15.999 > 15 44 O 0.76372530152704 0.44047756504484 0.58121498334482 15.999 > 16 45 O 0.57580957663332 0.62894800182553 0.03426607804546 15.999 > 17 46 O 0.76372530152704 0.55952243495516 0.08121498334482 15.999 > 18 47 O 0.92419042336668 0.87105199817447 0.96573392195454 15.999 > 19 48 O 0.64534476082751 0.26045305915055 0.14789576140453 15.999 > 20 49 O 0.65377615890562 0.38862840302586 0.84386503054185 15.999 > 21 50 O 0.85465523917249 0.23954694084945 0.85210423859547 15.999 > 22 51 O 0.92419042336668 0.12894800182553 0.46573392195454 15.999 > 23 52 O 0.73627469847296 0.94047756504484 0.91878501665518 15.999 > 24 53 O 0.64534476082751 0.73954694084945 0.64789576140453 15.999 > 25 54 O 0.73627469847296 0.05952243495516 0.41878501665518 15.999 > 26 55 O 0.84622384109438 0.11137159697414 0.15613496945815 15.999 > 27 56 O 0.57580957663332 0.37105199817447 0.53426607804546 15.999 > 28 -------------------------------- super cell -------------------------------- Lattice vectors: a 13.974943770042312 0.000000000000000 0.000000000000000 b 0.000000000000000 12.777386659999999 0.000000000000000 c -1.249790564320766 0.000000000000000 8.665487954500623 Atomic positions (fractional): *1 Nd 0.18628293528659 0.19628411484297 0.17272067575724 144.242 > 1 2 Nd 0.18628293528659 0.69628411484297 0.17272067575724 144.242 > 1 3 Nd 0.31371706471341 0.44628411484297 0.32727932424276 144.242 > 2 4 Nd 0.31371706471341 0.94628411484297 0.32727932424276 144.242 > 2 5 Nd 0.18628293528659 0.30371588515703 0.67272067575724 144.242 > 3 6 Nd 0.18628293528659 0.80371588515703 0.67272067575724 144.242 > 3 *7 Nd 0.00000000000000 0.03789918037353 0.75000000000000 144.242 > 4 8 Nd 0.00000000000000 0.53789918037353 0.75000000000000 144.242 > 4 9 Nd 0.31371706471341 0.05371588515703 0.82727932424276 144.242 > 5 10 Nd 0.31371706471341 0.55371588515703 0.82727932424276 144.242 > 5 11 Nd 0.00000000000000 0.46210081962647 0.25000000000000 144.242 > 6 12 Nd 0.00000000000000 0.96210081962647 0.25000000000000 144.242 > 6 13 Nd 0.68628293528659 0.44628411484297 0.17272067575724 144.242 > 1 14 Nd 0.68628293528659 0.94628411484297 0.17272067575724 144.242 > 1 15 Nd 0.81371706471341 0.19628411484297 0.32727932424276 144.242 > 2 16 Nd 0.81371706471341 0.69628411484297 0.32727932424276 144.242 > 2 17 Nd 0.68628293528659 0.05371588515703 0.67272067575724 144.242 > 3 18 Nd 0.68628293528659 0.55371588515703 0.67272067575724 144.242 > 3 19 Nd 0.50000000000000 0.28789918037353 0.75000000000000 144.242 > 4 20 Nd 0.50000000000000 0.78789918037353 0.75000000000000 144.242 > 4 21 Nd 0.81371706471341 0.30371588515703 0.82727932424276 144.242 > 5 22 Nd 0.81371706471341 0.80371588515703 0.82727932424276 144.242 > 5 23 Nd 0.50000000000000 0.21210081962647 0.25000000000000 144.242 > 6 24 Nd 0.50000000000000 0.71210081962647 0.25000000000000 144.242 > 6 *25 Si 0.15814131454329 0.47325814877870 0.02603723904854 28.085 > 7 26 Si 0.15814131454329 0.97325814877870 0.02603723904854 28.085 > 7 27 Si 0.15814131454329 0.02674185122130 0.52603723904854 28.085 > 8 28 Si 0.15814131454329 0.52674185122130 0.52603723904854 28.085 > 8 29 Si 0.34185868545671 0.22325814877870 0.47396276095146 28.085 > 9 30 Si 0.34185868545671 0.72325814877870 0.47396276095146 28.085 > 9 31 Si 0.34185868545671 0.27674185122130 0.97396276095146 28.085 > 10 32 Si 0.34185868545671 0.77674185122130 0.97396276095146 28.085 > 10 33 Si 0.65814131454329 0.22325814877870 0.02603723904854 28.085 > 7 34 Si 0.65814131454329 0.72325814877870 0.02603723904854 28.085 > 7 35 Si 0.65814131454329 0.27674185122130 0.52603723904854 28.085 > 8 36 Si 0.65814131454329 0.77674185122130 0.52603723904854 28.085 > 8 37 Si 0.84185868545671 0.47325814877870 0.47396276095146 28.085 > 9 38 Si 0.84185868545671 0.97325814877870 0.47396276095146 28.085 > 9 39 Si 0.84185868545671 0.02674185122130 0.97396276095146 28.085 > 10 40 Si 0.84185868545671 0.52674185122130 0.97396276095146 28.085 > 10 *41 Cl 0.00000000000000 0.26138537787928 0.75000000000000 35.453 > 11 42 Cl 0.00000000000000 0.76138537787928 0.75000000000000 35.453 > 11 43 Cl 0.00000000000000 0.23861462212072 0.25000000000000 35.453 > 12 44 Cl 0.00000000000000 0.73861462212072 0.25000000000000 35.453 > 12 45 Cl 0.50000000000000 0.01138537787928 0.75000000000000 35.453 > 11 46 Cl 0.50000000000000 0.51138537787928 0.75000000000000 35.453 > 11 47 Cl 0.50000000000000 0.48861462212072 0.25000000000000 35.453 > 12 48 Cl 0.50000000000000 0.98861462212072 0.25000000000000 35.453 > 12 *49 O 0.34622384109438 0.19431420151293 0.65613496945815 15.999 > 13 50 O 0.34622384109438 0.69431420151293 0.65613496945815 15.999 > 13 *51 O 0.35465523917249 0.13022652957528 0.35210423859547 15.999 > 14 52 O 0.35465523917249 0.63022652957528 0.35210423859547 15.999 > 14 53 O 0.15377615890562 0.05568579848707 0.34386503054185 15.999 > 15 54 O 0.15377615890562 0.55568579848707 0.34386503054185 15.999 > 15 *55 O 0.26372530152704 0.47023878252242 0.58121498334482 15.999 > 16 56 O 0.26372530152704 0.97023878252242 0.58121498334482 15.999 > 16 *57 O 0.07580957663332 0.06447400091276 0.03426607804546 15.999 > 17 58 O 0.07580957663332 0.56447400091276 0.03426607804546 15.999 > 17 59 O 0.26372530152704 0.02976121747758 0.08121498334482 15.999 > 18 60 O 0.26372530152704 0.52976121747758 0.08121498334482 15.999 > 18 61 O 0.42419042336668 0.18552599908724 0.96573392195454 15.999 > 19 62 O 0.42419042336668 0.68552599908724 0.96573392195454 15.999 > 19 63 O 0.14534476082751 0.38022652957527 0.14789576140453 15.999 > 20 64 O 0.14534476082751 0.88022652957527 0.14789576140453 15.999 > 20 65 O 0.15377615890562 0.44431420151293 0.84386503054185 15.999 > 21 66 O 0.15377615890562 0.94431420151293 0.84386503054185 15.999 > 21 67 O 0.35465523917249 0.36977347042473 0.85210423859547 15.999 > 22 68 O 0.35465523917249 0.86977347042473 0.85210423859547 15.999 > 22 69 O 0.42419042336668 0.31447400091276 0.46573392195454 15.999 > 23 70 O 0.42419042336668 0.81447400091276 0.46573392195454 15.999 > 23 71 O 0.23627469847296 0.22023878252242 0.91878501665518 15.999 > 24 72 O 0.23627469847296 0.72023878252242 0.91878501665518 15.999 > 24 73 O 0.14534476082751 0.11977347042473 0.64789576140453 15.999 > 25 74 O 0.14534476082751 0.61977347042473 0.64789576140453 15.999 > 25 75 O 0.23627469847296 0.27976121747758 0.41878501665518 15.999 > 26 76 O 0.23627469847296 0.77976121747758 0.41878501665518 15.999 > 26 77 O 0.34622384109438 0.30568579848707 0.15613496945815 15.999 > 27 78 O 0.34622384109438 0.80568579848707 0.15613496945815 15.999 > 27 79 O 0.07580957663332 0.43552599908724 0.53426607804546 15.999 > 28 80 O 0.07580957663332 0.93552599908724 0.53426607804546 15.999 > 28 81 O 0.84622384109438 0.44431420151293 0.65613496945815 15.999 > 13 82 O 0.84622384109438 0.94431420151293 0.65613496945815 15.999 > 13 83 O 0.85465523917249 0.38022652957527 0.35210423859547 15.999 > 14 84 O 0.85465523917249 0.88022652957527 0.35210423859547 15.999 > 14 85 O 0.65377615890562 0.30568579848707 0.34386503054185 15.999 > 15 86 O 0.65377615890562 0.80568579848707 0.34386503054185 15.999 > 15 87 O 0.76372530152704 0.22023878252242 0.58121498334482 15.999 > 16 88 O 0.76372530152704 0.72023878252242 0.58121498334482 15.999 > 16 89 O 0.57580957663332 0.31447400091276 0.03426607804546 15.999 > 17 90 O 0.57580957663332 0.81447400091276 0.03426607804546 15.999 > 17 91 O 0.76372530152704 0.27976121747758 0.08121498334482 15.999 > 18 92 O 0.76372530152704 0.77976121747758 0.08121498334482 15.999 > 18 93 O 0.92419042336668 0.43552599908724 0.96573392195454 15.999 > 19 94 O 0.92419042336668 0.93552599908724 0.96573392195454 15.999 > 19 95 O 0.64534476082751 0.13022652957528 0.14789576140453 15.999 > 20 96 O 0.64534476082751 0.63022652957528 0.14789576140453 15.999 > 20 97 O 0.65377615890562 0.19431420151293 0.84386503054185 15.999 > 21 98 O 0.65377615890562 0.69431420151293 0.84386503054185 15.999 > 21 99 O 0.85465523917249 0.11977347042473 0.85210423859547 15.999 > 22 100 O 0.85465523917249 0.61977347042473 0.85210423859547 15.999 > 22 101 O 0.92419042336668 0.06447400091276 0.46573392195454 15.999 > 23 102 O 0.92419042336668 0.56447400091276 0.46573392195454 15.999 > 23 103 O 0.73627469847296 0.47023878252242 0.91878501665518 15.999 > 24 104 O 0.73627469847296 0.97023878252242 0.91878501665518 15.999 > 24 105 O 0.64534476082751 0.36977347042473 0.64789576140453 15.999 > 25 106 O 0.64534476082751 0.86977347042473 0.64789576140453 15.999 > 25 107 O 0.73627469847296 0.02976121747758 0.41878501665518 15.999 > 26 108 O 0.73627469847296 0.52976121747758 0.41878501665518 15.999 > 26 109 O 0.84622384109438 0.05568579848707 0.15613496945815 15.999 > 27 110 O 0.84622384109438 0.55568579848707 0.15613496945815 15.999 > 27 111 O 0.57580957663332 0.18552599908724 0.53426607804546 15.999 > 28 112 O 0.57580957663332 0.68552599908724 0.53426607804546 15.999 > 28 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 3.8588170 0.0000000 -0.0810307 0.0000000 3.8352553 0.0000000 -0.0810365 0.0000000 3.7958620 -------------------------- Born effective charges -------------------------- 1 Nd 3.7424931 0.2449158 -0.1423306 0.1642092 4.4017193 0.1276273 -0.1485544 0.1170023 3.8683943 2 Nd 3.7424931 -0.2449158 -0.1423306 -0.1642092 4.4017193 -0.1276273 -0.1485544 -0.1170023 3.8683943 3 Nd 3.7424931 -0.2449158 -0.1423306 -0.1642092 4.4017193 -0.1276273 -0.1485544 -0.1170023 3.8683943 4 Nd 4.4661859 0.0000000 -0.0502665 0.0000000 3.5156704 -0.0000000 -0.0270733 -0.0000000 3.9858640 5 Nd 3.7424931 0.2449158 -0.1423306 0.1642092 4.4017193 0.1276273 -0.1485544 0.1170023 3.8683943 6 Nd 4.4661859 0.0000000 -0.0502665 0.0000000 3.5156704 -0.0000000 -0.0270733 -0.0000000 3.9858640 7 Si 2.7095939 -0.0601051 -0.0755750 0.0300325 2.6943831 -0.1260208 -0.1115163 -0.0524197 3.3073380 8 Si 2.7095939 0.0601051 -0.0755750 -0.0300325 2.6943831 0.1260208 -0.1115163 0.0524197 3.3073380 9 Si 2.7095939 0.0601051 -0.0755750 -0.0300325 2.6943831 0.1260208 -0.1115163 0.0524197 3.3073380 10 Si 2.7095939 -0.0601051 -0.0755750 0.0300325 2.6943831 -0.1260208 -0.1115163 -0.0524197 3.3073380 11 Cl -1.6913524 0.0000000 0.2647830 0.0000000 -1.4468287 -0.0000000 0.2345252 -0.0000000 -0.6039182 12 Cl -1.6913524 0.0000000 0.2647830 0.0000000 -1.4468287 -0.0000000 0.2345252 -0.0000000 -0.6039182 13 O -1.9764416 -0.2395413 0.0515940 -0.2187358 -1.7996404 0.3708734 0.0633036 0.3959005 -2.5049415 14 O -1.9541307 -0.1328141 0.1477323 -0.1265840 -2.4980469 -0.3970155 0.1883325 -0.3889070 -1.6967926 15 O -1.9764416 -0.2395413 0.0515940 -0.2187358 -1.7996404 0.3708734 0.0633036 0.3959005 -2.5049415 16 O -1.9217421 0.1510553 0.0320902 0.1606800 -1.8762734 -0.1670089 0.0653749 -0.1327669 -2.4741083 17 O -1.9871893 -0.0120030 -0.1207691 -0.0183388 -1.9565626 -0.1657008 -0.1606662 -0.2224770 -2.1908627 18 O -1.9217421 -0.1510553 0.0320902 -0.1606800 -1.8762734 0.1670089 0.0653749 0.1327669 -2.4741083 19 O -1.9871893 -0.0120030 -0.1207691 -0.0183388 -1.9565626 -0.1657008 -0.1606662 -0.2224770 -2.1908627 20 O -1.9541307 0.1328141 0.1477323 0.1265840 -2.4980469 0.3970155 0.1883325 0.3889070 -1.6967926 21 O -1.9764416 0.2395413 0.0515940 0.2187358 -1.7996404 -0.3708734 0.0633036 -0.3959005 -2.5049415 22 O -1.9541307 0.1328141 0.1477323 0.1265840 -2.4980469 0.3970155 0.1883325 0.3889070 -1.6967926 23 O -1.9871893 0.0120030 -0.1207691 0.0183388 -1.9565626 0.1657008 -0.1606662 0.2224770 -2.1908627 24 O -1.9217421 -0.1510553 0.0320902 -0.1606800 -1.8762734 0.1670089 0.0653749 0.1327669 -2.4741083 25 O -1.9541307 -0.1328141 0.1477323 -0.1265840 -2.4980469 -0.3970155 0.1883325 -0.3889070 -1.6967926 26 O -1.9217421 0.1510553 0.0320902 0.1606800 -1.8762734 -0.1670089 0.0653749 -0.1327669 -2.4741083 27 O -1.9764416 0.2395413 0.0515940 0.2187358 -1.7996404 -0.3708734 0.0633036 -0.3959005 -2.5049415 28 O -1.9871893 0.0120030 -0.1207691 0.0183388 -1.9565626 0.1657008 -0.1606662 0.2224770 -2.1908627 ---------------------------------------------------------------------------- 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: 336/336 Permutation basis: 17004/17004 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 3662 Number of blocks in projector: 3662 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: 800 Use submatrix version of eigh solver. (1) Block: 500 / 800 (2) Block: 250 / 500 (2) 235 eigenvectors found. (2) Block: 500 / 500 (2) 237 eigenvectors found. (2) Complementary block size: 28 (2) Compute compressed projector. (2) Use standard solver. (2) 13 eigenvectors found. (1) 485 eigenvectors found. (1) Block: 800 / 800 (1) 289 eigenvectors found. (1) Complementary block size: 26 (1) Compute compressed projector. (1) Use standard solver. (1) 11 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 768 Use submatrix version of eigh solver. (1) Block: 500 / 768 (2) Block: 250 / 500 (2) 238 eigenvectors found. (2) Block: 500 / 500 (2) 240 eigenvectors found. (2) Complementary block size: 22 (2) Compute compressed projector. (2) Use standard solver. (2) 10 eigenvectors found. (1) 488 eigenvectors found. (1) Block: 768 / 768 (1) 258 eigenvectors found. (1) Complementary block size: 22 (1) Compute compressed projector. (1) Use standard solver. (1) 10 eigenvectors found. --- Eigsh_solver_block: 3 / 6 --- Block_size: 768 Use submatrix version of eigh solver. (1) Block: 500 / 768 (2) Block: 250 / 500 (2) 238 eigenvectors found. (2) Block: 500 / 500 (2) 240 eigenvectors found. (2) Complementary block size: 22 (2) Compute compressed projector. (2) Use standard solver. (2) 10 eigenvectors found. (1) 488 eigenvectors found. (1) Block: 768 / 768 (1) 258 eigenvectors found. (1) Complementary block size: 22 (1) Compute compressed projector. (1) Use standard solver. (1) 10 eigenvectors found. --- Eigsh_solver_block: 4 / 6 --- Block_size: 442 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 442 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 442 Use standard eigh solver. Tree of FC basis block matrices: - (3662, 3599), data: False |-- (442, 434), data: True |-- (442, 434), data: True |-- (442, 434), data: True |-- (768, 756), data: False |-- (768, 10), data: (768, 22) @ (22, 10) |-- (268, 258), data: True |-- (500, 488), data: False |-- (500, 10), data: (500, 22) @ (22, 10) |-- (250, 240), data: True |-- (250, 238), data: True |-- (768, 756), data: False |-- (768, 10), data: (768, 22) @ (22, 10) |-- (268, 258), data: True |-- (500, 488), data: False |-- (500, 10), data: (500, 22) @ (22, 10) |-- (250, 240), data: True |-- (250, 238), data: True |-- (800, 785), data: False |-- (800, 11), data: (800, 26) @ (26, 11) |-- (300, 289), data: True |-- (500, 485), data: False |-- (500, 13), data: (500, 28) @ (28, 13) |-- (250, 237), data: True |-- (250, 235), data: True ----- Solver_atoms: 1 -- 112 / 112 Time (Solver_compr_matrix_reshape): 0.007 Solver_block: 100 / 880 - Time: 1.332 Solver_block: 200 / 880 - Time: 1.271 Solver_block: 300 / 880 - Time: 1.285 Solver_block: 400 / 880 - Time: 1.282 Solver_block: 500 / 880 - Time: 1.290 Solver_block: 600 / 880 - Time: 1.348 Solver_block: 700 / 880 - Time: 1.282 Solver_block: 800 / 880 - Time: 1.327 Solver_block: 880 / 880 - Time: 1.132 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 11.743 --------------------------------- Symfc end -------------------------------- Max drift of force constants: 0.00000000 (xx) 0.00000000 (xx) Permutation basis: 336/336 Permutation basis: 17004/17004 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 3662 Number of blocks in projector: 3662 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: 800 Use submatrix version of eigh solver. (1) Block: 500 / 800 (2) Block: 250 / 500 (2) 235 eigenvectors found. (2) Block: 500 / 500 (2) 237 eigenvectors found. (2) Complementary block size: 28 (2) Compute compressed projector. (2) Use standard solver. (2) 13 eigenvectors found. (1) 485 eigenvectors found. (1) Block: 800 / 800 (1) 289 eigenvectors found. (1) Complementary block size: 26 (1) Compute compressed projector. (1) Use standard solver. (1) 11 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 768 Use submatrix version of eigh solver. (1) Block: 500 / 768 (2) Block: 250 / 500 (2) 238 eigenvectors found. (2) Block: 500 / 500 (2) 240 eigenvectors found. (2) Complementary block size: 22 (2) Compute compressed projector. (2) Use standard solver. (2) 10 eigenvectors found. (1) 488 eigenvectors found. (1) Block: 768 / 768 (1) 258 eigenvectors found. (1) Complementary block size: 22 (1) Compute compressed projector. (1) Use standard solver. (1) 10 eigenvectors found. --- Eigsh_solver_block: 3 / 6 --- Block_size: 768 Use submatrix version of eigh solver. (1) Block: 500 / 768 (2) Block: 250 / 500 (2) 238 eigenvectors found. (2) Block: 500 / 500 (2) 240 eigenvectors found. (2) Complementary block size: 22 (2) Compute compressed projector. (2) Use standard solver. (2) 10 eigenvectors found. (1) 488 eigenvectors found. (1) Block: 768 / 768 (1) 258 eigenvectors found. (1) Complementary block size: 22 (1) Compute compressed projector. (1) Use standard solver. (1) 10 eigenvectors found. --- Eigsh_solver_block: 4 / 6 --- Block_size: 442 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 442 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 442 Use standard eigh solver. Tree of FC basis block matrices: - (3662, 3599), data: False |-- (442, 434), data: True |-- (442, 434), data: True |-- (442, 434), data: True |-- (768, 756), data: False |-- (768, 10), data: (768, 22) @ (22, 10) |-- (268, 258), data: True |-- (500, 488), data: False |-- (500, 10), data: (500, 22) @ (22, 10) |-- (250, 240), data: True |-- (250, 238), data: True |-- (768, 756), data: False |-- (768, 10), data: (768, 22) @ (22, 10) |-- (268, 258), data: True |-- (500, 488), data: False |-- (500, 10), data: (500, 22) @ (22, 10) |-- (250, 240), data: True |-- (250, 238), data: True |-- (800, 785), data: False |-- (800, 11), data: (800, 26) @ (26, 11) |-- (300, 289), data: True |-- (500, 485), data: False |-- (500, 13), data: (500, 28) @ (28, 13) |-- (250, 237), data: True |-- (250, 235), data: True Max drift after symmetrization by symfc projector: 0.00000000 (xx) 0.00000000 (xx) Force constants are written into "force_constants.hdf5". ---------------------------------------------------------------------------- One of the following run modes may be specified for phonon calculations. - Mesh sampling (MESH, --mesh) - Q-points (QPOINTS, --qpoints) - Band structure (BAND, --band) - Animation (ANIME, --anime) - Modulation (MODULATION, --modulation) - Characters of Irreps (IRREPS, --irreps) - Create displacements (CREATE_DISPLACEMENTS, -d) ---------------------------------------------------------------------------- Summary of calculation was written in "phonopy.yaml". -------------------------[time 2026-01-08 16:24:58]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 16:24:58]------------------------- Compiled with OpenMP support (max 48 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 2 1] Primitive matrix: [0.5 0.5 0. ] [-0.5 0.5 0. ] [0. 0. 1.] Spacegroup: C2/c (15) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 6.987471885021156 -3.194346665000000 0.000000000000000 b 6.987471885021156 3.194346665000000 0.000000000000000 c -1.249790564320766 0.000000000000000 8.665487954500623 Atomic positions (fractional): 1 Nd 0.79371470560065 0.57885116497254 0.17272067575724 144.242 2 Nd 0.42114883502746 0.20628529439935 0.32727932424276 144.242 3 Nd 0.57885116497254 0.79371470560065 0.67272067575724 144.242 4 Nd 0.92420163925293 0.07579836074707 0.75000000000000 144.242 5 Nd 0.20628529439935 0.42114883502746 0.82727932424276 144.242 6 Nd 0.07579836074707 0.92420163925293 0.25000000000000 144.242 7 Si 0.21162501698590 0.10465761210069 0.02603723904854 28.085 8 Si 0.10465761210069 0.21162501698590 0.52603723904854 28.085 9 Si 0.89534238789931 0.78837498301410 0.47396276095146 28.085 10 Si 0.78837498301410 0.89534238789931 0.97396276095146 28.085 11 Cl 0.47722924424144 0.52277075575856 0.75000000000000 35.453 12 Cl 0.52277075575856 0.47722924424144 0.25000000000000 35.453 13 O 0.95759543806852 0.73485224412023 0.65613496945815 15.999 14 O 0.09420218002194 0.61510829832304 0.35210423859547 15.999 15 O 0.04240456193148 0.26514775587977 0.34386503054185 15.999 16 O 0.32324773648220 0.20420286657188 0.58121498334482 15.999 17 O 0.94686157480779 0.20475757845884 0.03426607804546 15.999 18 O 0.20420286657188 0.32324773648220 0.08121498334482 15.999 19 O 0.05313842519221 0.79524242154116 0.96573392195454 15.999 20 O 0.38489170167696 0.90579781997806 0.14789576140453 15.999 21 O 0.26514775587977 0.04240456193148 0.84386503054185 15.999 22 O 0.61510829832304 0.09420218002194 0.85210423859547 15.999 23 O 0.79524242154116 0.05313842519221 0.46573392195454 15.999 24 O 0.79579713342812 0.67675226351780 0.91878501665518 15.999 25 O 0.90579781997806 0.38489170167696 0.64789576140453 15.999 26 O 0.67675226351780 0.79579713342812 0.41878501665518 15.999 27 O 0.73485224412023 0.95759543806852 0.15613496945815 15.999 28 O 0.20475757845884 0.94686157480779 0.53426607804546 15.999 -------------------------------- supercell --------------------------------- Lattice vectors: a 13.974943770042312 0.000000000000000 0.000000000000000 b 0.000000000000000 12.777386659999999 0.000000000000000 c -1.249790564320766 0.000000000000000 8.665487954500623 Atomic positions (fractional): 1 Nd 0.18628293528659 0.19628411484297 0.17272067575724 144.242 > 1 2 Nd 0.18628293528659 0.69628411484297 0.17272067575724 144.242 > 1 3 Nd 0.31371706471341 0.44628411484297 0.32727932424276 144.242 > 3 4 Nd 0.31371706471341 0.94628411484297 0.32727932424276 144.242 > 3 5 Nd 0.18628293528659 0.30371588515703 0.67272067575724 144.242 > 5 6 Nd 0.18628293528659 0.80371588515703 0.67272067575724 144.242 > 5 7 Nd 0.00000000000000 0.03789918037353 0.75000000000000 144.242 > 7 8 Nd 0.00000000000000 0.53789918037353 0.75000000000000 144.242 > 7 9 Nd 0.31371706471341 0.05371588515703 0.82727932424276 144.242 > 9 10 Nd 0.31371706471341 0.55371588515703 0.82727932424276 144.242 > 9 11 Nd 0.00000000000000 0.46210081962647 0.25000000000000 144.242 > 11 12 Nd 0.00000000000000 0.96210081962647 0.25000000000000 144.242 > 11 13 Nd 0.68628293528659 0.44628411484297 0.17272067575724 144.242 > 1 14 Nd 0.68628293528659 0.94628411484297 0.17272067575724 144.242 > 1 15 Nd 0.81371706471341 0.19628411484297 0.32727932424276 144.242 > 3 16 Nd 0.81371706471341 0.69628411484297 0.32727932424276 144.242 > 3 17 Nd 0.68628293528659 0.05371588515703 0.67272067575724 144.242 > 5 18 Nd 0.68628293528659 0.55371588515703 0.67272067575724 144.242 > 5 19 Nd 0.50000000000000 0.28789918037353 0.75000000000000 144.242 > 7 20 Nd 0.50000000000000 0.78789918037353 0.75000000000000 144.242 > 7 21 Nd 0.81371706471341 0.30371588515703 0.82727932424276 144.242 > 9 22 Nd 0.81371706471341 0.80371588515703 0.82727932424276 144.242 > 9 23 Nd 0.50000000000000 0.21210081962647 0.25000000000000 144.242 > 11 24 Nd 0.50000000000000 0.71210081962647 0.25000000000000 144.242 > 11 25 Si 0.15814131454329 0.47325814877870 0.02603723904854 28.085 > 25 26 Si 0.15814131454329 0.97325814877870 0.02603723904854 28.085 > 25 27 Si 0.15814131454329 0.02674185122130 0.52603723904854 28.085 > 27 28 Si 0.15814131454329 0.52674185122130 0.52603723904854 28.085 > 27 29 Si 0.34185868545671 0.22325814877870 0.47396276095146 28.085 > 29 30 Si 0.34185868545671 0.72325814877870 0.47396276095146 28.085 > 29 31 Si 0.34185868545671 0.27674185122130 0.97396276095146 28.085 > 31 32 Si 0.34185868545671 0.77674185122130 0.97396276095146 28.085 > 31 33 Si 0.65814131454329 0.22325814877870 0.02603723904854 28.085 > 25 34 Si 0.65814131454329 0.72325814877870 0.02603723904854 28.085 > 25 35 Si 0.65814131454329 0.27674185122130 0.52603723904854 28.085 > 27 36 Si 0.65814131454329 0.77674185122130 0.52603723904854 28.085 > 27 37 Si 0.84185868545671 0.47325814877870 0.47396276095146 28.085 > 29 38 Si 0.84185868545671 0.97325814877870 0.47396276095146 28.085 > 29 39 Si 0.84185868545671 0.02674185122130 0.97396276095146 28.085 > 31 40 Si 0.84185868545671 0.52674185122130 0.97396276095146 28.085 > 31 41 Cl 0.00000000000000 0.26138537787928 0.75000000000000 35.453 > 41 42 Cl 0.00000000000000 0.76138537787928 0.75000000000000 35.453 > 41 43 Cl 0.00000000000000 0.23861462212072 0.25000000000000 35.453 > 43 44 Cl 0.00000000000000 0.73861462212072 0.25000000000000 35.453 > 43 45 Cl 0.50000000000000 0.01138537787928 0.75000000000000 35.453 > 41 46 Cl 0.50000000000000 0.51138537787928 0.75000000000000 35.453 > 41 47 Cl 0.50000000000000 0.48861462212072 0.25000000000000 35.453 > 43 48 Cl 0.50000000000000 0.98861462212072 0.25000000000000 35.453 > 43 49 O 0.34622384109438 0.19431420151293 0.65613496945815 15.999 > 49 50 O 0.34622384109438 0.69431420151293 0.65613496945815 15.999 > 49 51 O 0.35465523917249 0.13022652957528 0.35210423859547 15.999 > 51 52 O 0.35465523917249 0.63022652957528 0.35210423859547 15.999 > 51 53 O 0.15377615890562 0.05568579848707 0.34386503054185 15.999 > 53 54 O 0.15377615890562 0.55568579848707 0.34386503054185 15.999 > 53 55 O 0.26372530152704 0.47023878252242 0.58121498334482 15.999 > 55 56 O 0.26372530152704 0.97023878252242 0.58121498334482 15.999 > 55 57 O 0.07580957663332 0.06447400091276 0.03426607804546 15.999 > 57 58 O 0.07580957663332 0.56447400091276 0.03426607804546 15.999 > 57 59 O 0.26372530152704 0.02976121747758 0.08121498334482 15.999 > 59 60 O 0.26372530152704 0.52976121747758 0.08121498334482 15.999 > 59 61 O 0.42419042336668 0.18552599908724 0.96573392195454 15.999 > 61 62 O 0.42419042336668 0.68552599908724 0.96573392195454 15.999 > 61 63 O 0.14534476082751 0.38022652957527 0.14789576140453 15.999 > 63 64 O 0.14534476082751 0.88022652957527 0.14789576140453 15.999 > 63 65 O 0.15377615890562 0.44431420151293 0.84386503054185 15.999 > 65 66 O 0.15377615890562 0.94431420151293 0.84386503054185 15.999 > 65 67 O 0.35465523917249 0.36977347042473 0.85210423859547 15.999 > 67 68 O 0.35465523917249 0.86977347042473 0.85210423859547 15.999 > 67 69 O 0.42419042336668 0.31447400091276 0.46573392195454 15.999 > 69 70 O 0.42419042336668 0.81447400091276 0.46573392195454 15.999 > 69 71 O 0.23627469847296 0.22023878252242 0.91878501665518 15.999 > 71 72 O 0.23627469847296 0.72023878252242 0.91878501665518 15.999 > 71 73 O 0.14534476082751 0.11977347042473 0.64789576140453 15.999 > 73 74 O 0.14534476082751 0.61977347042473 0.64789576140453 15.999 > 73 75 O 0.23627469847296 0.27976121747758 0.41878501665518 15.999 > 75 76 O 0.23627469847296 0.77976121747758 0.41878501665518 15.999 > 75 77 O 0.34622384109438 0.30568579848707 0.15613496945815 15.999 > 77 78 O 0.34622384109438 0.80568579848707 0.15613496945815 15.999 > 77 79 O 0.07580957663332 0.43552599908724 0.53426607804546 15.999 > 79 80 O 0.07580957663332 0.93552599908724 0.53426607804546 15.999 > 79 81 O 0.84622384109438 0.44431420151293 0.65613496945815 15.999 > 49 82 O 0.84622384109438 0.94431420151293 0.65613496945815 15.999 > 49 83 O 0.85465523917249 0.38022652957527 0.35210423859547 15.999 > 51 84 O 0.85465523917249 0.88022652957527 0.35210423859547 15.999 > 51 85 O 0.65377615890562 0.30568579848707 0.34386503054185 15.999 > 53 86 O 0.65377615890562 0.80568579848707 0.34386503054185 15.999 > 53 87 O 0.76372530152704 0.22023878252242 0.58121498334482 15.999 > 55 88 O 0.76372530152704 0.72023878252242 0.58121498334482 15.999 > 55 89 O 0.57580957663332 0.31447400091276 0.03426607804546 15.999 > 57 90 O 0.57580957663332 0.81447400091276 0.03426607804546 15.999 > 57 91 O 0.76372530152704 0.27976121747758 0.08121498334482 15.999 > 59 92 O 0.76372530152704 0.77976121747758 0.08121498334482 15.999 > 59 93 O 0.92419042336668 0.43552599908724 0.96573392195454 15.999 > 61 94 O 0.92419042336668 0.93552599908724 0.96573392195454 15.999 > 61 95 O 0.64534476082751 0.13022652957528 0.14789576140453 15.999 > 63 96 O 0.64534476082751 0.63022652957528 0.14789576140453 15.999 > 63 97 O 0.65377615890562 0.19431420151293 0.84386503054185 15.999 > 65 98 O 0.65377615890562 0.69431420151293 0.84386503054185 15.999 > 65 99 O 0.85465523917249 0.11977347042473 0.85210423859547 15.999 > 67 100 O 0.85465523917249 0.61977347042473 0.85210423859547 15.999 > 67 101 O 0.92419042336668 0.06447400091276 0.46573392195454 15.999 > 69 102 O 0.92419042336668 0.56447400091276 0.46573392195454 15.999 > 69 103 O 0.73627469847296 0.47023878252242 0.91878501665518 15.999 > 71 104 O 0.73627469847296 0.97023878252242 0.91878501665518 15.999 > 71 105 O 0.64534476082751 0.36977347042473 0.64789576140453 15.999 > 73 106 O 0.64534476082751 0.86977347042473 0.64789576140453 15.999 > 73 107 O 0.73627469847296 0.02976121747758 0.41878501665518 15.999 > 75 108 O 0.73627469847296 0.52976121747758 0.41878501665518 15.999 > 75 109 O 0.84622384109438 0.05568579848707 0.15613496945815 15.999 > 77 110 O 0.84622384109438 0.55568579848707 0.15613496945815 15.999 > 77 111 O 0.57580957663332 0.18552599908724 0.53426607804546 15.999 > 79 112 O 0.57580957663332 0.68552599908724 0.53426607804546 15.999 > 79 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 3.8588170 0.0000000 -0.0810307 0.0000000 3.8352553 0.0000000 -0.0810365 0.0000000 3.7958620 -------------------------- Born effective charges -------------------------- 1 Nd 3.7424931 0.2449158 -0.1423306 0.1642092 4.4017193 0.1276273 -0.1485544 0.1170023 3.8683943 2 Nd 3.7424931 -0.2449158 -0.1423306 -0.1642092 4.4017193 -0.1276273 -0.1485544 -0.1170023 3.8683943 3 Nd 3.7424931 -0.2449158 -0.1423306 -0.1642092 4.4017193 -0.1276273 -0.1485544 -0.1170023 3.8683943 4 Nd 4.4661859 0.0000000 -0.0502665 0.0000000 3.5156704 -0.0000000 -0.0270733 -0.0000000 3.9858640 5 Nd 3.7424931 0.2449158 -0.1423306 0.1642092 4.4017193 0.1276273 -0.1485544 0.1170023 3.8683943 6 Nd 4.4661859 0.0000000 -0.0502665 0.0000000 3.5156704 -0.0000000 -0.0270733 -0.0000000 3.9858640 7 Si 2.7095939 -0.0601051 -0.0755750 0.0300325 2.6943831 -0.1260208 -0.1115163 -0.0524197 3.3073380 8 Si 2.7095939 0.0601051 -0.0755750 -0.0300325 2.6943831 0.1260208 -0.1115163 0.0524197 3.3073380 9 Si 2.7095939 0.0601051 -0.0755750 -0.0300325 2.6943831 0.1260208 -0.1115163 0.0524197 3.3073380 10 Si 2.7095939 -0.0601051 -0.0755750 0.0300325 2.6943831 -0.1260208 -0.1115163 -0.0524197 3.3073380 11 Cl -1.6913524 0.0000000 0.2647830 0.0000000 -1.4468287 -0.0000000 0.2345252 -0.0000000 -0.6039182 12 Cl -1.6913524 0.0000000 0.2647830 0.0000000 -1.4468287 -0.0000000 0.2345252 -0.0000000 -0.6039182 13 O -1.9764416 -0.2395413 0.0515940 -0.2187358 -1.7996404 0.3708734 0.0633036 0.3959005 -2.5049415 14 O -1.9541307 -0.1328141 0.1477323 -0.1265840 -2.4980469 -0.3970155 0.1883325 -0.3889070 -1.6967926 15 O -1.9764416 -0.2395413 0.0515940 -0.2187358 -1.7996404 0.3708734 0.0633036 0.3959005 -2.5049415 16 O -1.9217421 0.1510553 0.0320902 0.1606800 -1.8762734 -0.1670089 0.0653749 -0.1327669 -2.4741083 17 O -1.9871893 -0.0120030 -0.1207691 -0.0183388 -1.9565626 -0.1657008 -0.1606662 -0.2224770 -2.1908627 18 O -1.9217421 -0.1510553 0.0320902 -0.1606800 -1.8762734 0.1670089 0.0653749 0.1327669 -2.4741083 19 O -1.9871893 -0.0120030 -0.1207691 -0.0183388 -1.9565626 -0.1657008 -0.1606662 -0.2224770 -2.1908627 20 O -1.9541307 0.1328141 0.1477323 0.1265840 -2.4980469 0.3970155 0.1883325 0.3889070 -1.6967926 21 O -1.9764416 0.2395413 0.0515940 0.2187358 -1.7996404 -0.3708734 0.0633036 -0.3959005 -2.5049415 22 O -1.9541307 0.1328141 0.1477323 0.1265840 -2.4980469 0.3970155 0.1883325 0.3889070 -1.6967926 23 O -1.9871893 0.0120030 -0.1207691 0.0183388 -1.9565626 0.1657008 -0.1606662 0.2224770 -2.1908627 24 O -1.9217421 -0.1510553 0.0320902 -0.1606800 -1.8762734 0.1670089 0.0653749 0.1327669 -2.4741083 25 O -1.9541307 -0.1328141 0.1477323 -0.1265840 -2.4980469 -0.3970155 0.1883325 -0.3889070 -1.6967926 26 O -1.9217421 0.1510553 0.0320902 0.1606800 -1.8762734 -0.1670089 0.0653749 -0.1327669 -2.4741083 27 O -1.9764416 0.2395413 0.0515940 0.2187358 -1.7996404 -0.3708734 0.0633036 -0.3959005 -2.5049415 28 O -1.9871893 0.0120030 -0.1207691 0.0183388 -1.9565626 0.1657008 -0.1606662 0.2224770 -2.1908627 ---------------------------------------------------------------------------- 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] [-0.0014 0.0000 0.0099] [ 0.0014 0.0000 -0.0099] Computing fc3[ 7, 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] [-0.0014 0.0000 0.0099] [ 0.0014 0.0000 -0.0099] 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] [-0.0014 0.0000 0.0099] [ 0.0014 0.0000 -0.0099] Computing fc3[ 41, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0014 0.0000 0.0099] [ 0.0014 0.0000 -0.0099] Computing fc3[ 49, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0014 0.0000 0.0099] [ 0.0014 0.0000 -0.0099] Computing fc3[ 51, 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] [-0.0014 0.0000 0.0099] [ 0.0014 0.0000 -0.0099] Computing fc3[ 55, 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] [-0.0014 0.0000 0.0099] [ 0.0014 0.0000 -0.0099] Computing fc3[ 57, 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] [-0.0014 0.0000 0.0099] [ 0.0014 0.0000 -0.0099] Expanding fc3. Symmetrizing fc3 by traditional approach (N=3). Symmetrizing fc2 by traditional approach (N=3). Max drift of fc3: 0.00000000 (yyy) 0.00000000 (yyy) 0.00000000 (yyy) fc3 was written into "fc3.hdf5". Max drift of fc2: -0.00000000 (xz) -0.00000000 (xz) fc2 was written into "fc2.hdf5". --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperatures: 0.0 300.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 ----------- None of ph-ph interaction calculation was performed. ----------- Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 16:25:38]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 16:25:39]------------------------- Compiled with OpenMP support (max 48 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 2 1] Primitive matrix: [0.5 0.5 0. ] [-0.5 0.5 0. ] [0. 0. 1.] Spacegroup: C2/c (15) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 6.987471885021156 -3.194346665000000 0.000000000000000 b 6.987471885021156 3.194346665000000 0.000000000000000 c -1.249790564320766 0.000000000000000 8.665487954500623 Atomic positions (fractional): 1 Nd 0.79371470560065 0.57885116497254 0.17272067575724 144.242 2 Nd 0.42114883502746 0.20628529439935 0.32727932424276 144.242 3 Nd 0.57885116497254 0.79371470560065 0.67272067575724 144.242 4 Nd 0.92420163925293 0.07579836074707 0.75000000000000 144.242 5 Nd 0.20628529439935 0.42114883502746 0.82727932424276 144.242 6 Nd 0.07579836074707 0.92420163925293 0.25000000000000 144.242 7 Si 0.21162501698590 0.10465761210069 0.02603723904854 28.085 8 Si 0.10465761210069 0.21162501698590 0.52603723904854 28.085 9 Si 0.89534238789931 0.78837498301410 0.47396276095146 28.085 10 Si 0.78837498301410 0.89534238789931 0.97396276095146 28.085 11 Cl 0.47722924424144 0.52277075575856 0.75000000000000 35.453 12 Cl 0.52277075575856 0.47722924424144 0.25000000000000 35.453 13 O 0.95759543806852 0.73485224412023 0.65613496945815 15.999 14 O 0.09420218002194 0.61510829832304 0.35210423859547 15.999 15 O 0.04240456193148 0.26514775587977 0.34386503054185 15.999 16 O 0.32324773648220 0.20420286657188 0.58121498334482 15.999 17 O 0.94686157480779 0.20475757845884 0.03426607804546 15.999 18 O 0.20420286657188 0.32324773648220 0.08121498334482 15.999 19 O 0.05313842519221 0.79524242154116 0.96573392195454 15.999 20 O 0.38489170167696 0.90579781997806 0.14789576140453 15.999 21 O 0.26514775587977 0.04240456193148 0.84386503054185 15.999 22 O 0.61510829832304 0.09420218002194 0.85210423859547 15.999 23 O 0.79524242154116 0.05313842519221 0.46573392195454 15.999 24 O 0.79579713342812 0.67675226351780 0.91878501665518 15.999 25 O 0.90579781997806 0.38489170167696 0.64789576140453 15.999 26 O 0.67675226351780 0.79579713342812 0.41878501665518 15.999 27 O 0.73485224412023 0.95759543806852 0.15613496945815 15.999 28 O 0.20475757845884 0.94686157480779 0.53426607804546 15.999 -------------------------------- supercell --------------------------------- Lattice vectors: a 13.974943770042312 0.000000000000000 0.000000000000000 b 0.000000000000000 12.777386659999999 0.000000000000000 c -1.249790564320766 0.000000000000000 8.665487954500623 Atomic positions (fractional): 1 Nd 0.18628293528659 0.19628411484297 0.17272067575724 144.242 > 1 2 Nd 0.18628293528659 0.69628411484297 0.17272067575724 144.242 > 1 3 Nd 0.31371706471341 0.44628411484297 0.32727932424276 144.242 > 3 4 Nd 0.31371706471341 0.94628411484297 0.32727932424276 144.242 > 3 5 Nd 0.18628293528659 0.30371588515703 0.67272067575724 144.242 > 5 6 Nd 0.18628293528659 0.80371588515703 0.67272067575724 144.242 > 5 7 Nd 0.00000000000000 0.03789918037353 0.75000000000000 144.242 > 7 8 Nd 0.00000000000000 0.53789918037353 0.75000000000000 144.242 > 7 9 Nd 0.31371706471341 0.05371588515703 0.82727932424276 144.242 > 9 10 Nd 0.31371706471341 0.55371588515703 0.82727932424276 144.242 > 9 11 Nd 0.00000000000000 0.46210081962647 0.25000000000000 144.242 > 11 12 Nd 0.00000000000000 0.96210081962647 0.25000000000000 144.242 > 11 13 Nd 0.68628293528659 0.44628411484297 0.17272067575724 144.242 > 1 14 Nd 0.68628293528659 0.94628411484297 0.17272067575724 144.242 > 1 15 Nd 0.81371706471341 0.19628411484297 0.32727932424276 144.242 > 3 16 Nd 0.81371706471341 0.69628411484297 0.32727932424276 144.242 > 3 17 Nd 0.68628293528659 0.05371588515703 0.67272067575724 144.242 > 5 18 Nd 0.68628293528659 0.55371588515703 0.67272067575724 144.242 > 5 19 Nd 0.50000000000000 0.28789918037353 0.75000000000000 144.242 > 7 20 Nd 0.50000000000000 0.78789918037353 0.75000000000000 144.242 > 7 21 Nd 0.81371706471341 0.30371588515703 0.82727932424276 144.242 > 9 22 Nd 0.81371706471341 0.80371588515703 0.82727932424276 144.242 > 9 23 Nd 0.50000000000000 0.21210081962647 0.25000000000000 144.242 > 11 24 Nd 0.50000000000000 0.71210081962647 0.25000000000000 144.242 > 11 25 Si 0.15814131454329 0.47325814877870 0.02603723904854 28.085 > 25 26 Si 0.15814131454329 0.97325814877870 0.02603723904854 28.085 > 25 27 Si 0.15814131454329 0.02674185122130 0.52603723904854 28.085 > 27 28 Si 0.15814131454329 0.52674185122130 0.52603723904854 28.085 > 27 29 Si 0.34185868545671 0.22325814877870 0.47396276095146 28.085 > 29 30 Si 0.34185868545671 0.72325814877870 0.47396276095146 28.085 > 29 31 Si 0.34185868545671 0.27674185122130 0.97396276095146 28.085 > 31 32 Si 0.34185868545671 0.77674185122130 0.97396276095146 28.085 > 31 33 Si 0.65814131454329 0.22325814877870 0.02603723904854 28.085 > 25 34 Si 0.65814131454329 0.72325814877870 0.02603723904854 28.085 > 25 35 Si 0.65814131454329 0.27674185122130 0.52603723904854 28.085 > 27 36 Si 0.65814131454329 0.77674185122130 0.52603723904854 28.085 > 27 37 Si 0.84185868545671 0.47325814877870 0.47396276095146 28.085 > 29 38 Si 0.84185868545671 0.97325814877870 0.47396276095146 28.085 > 29 39 Si 0.84185868545671 0.02674185122130 0.97396276095146 28.085 > 31 40 Si 0.84185868545671 0.52674185122130 0.97396276095146 28.085 > 31 41 Cl 0.00000000000000 0.26138537787928 0.75000000000000 35.453 > 41 42 Cl 0.00000000000000 0.76138537787928 0.75000000000000 35.453 > 41 43 Cl 0.00000000000000 0.23861462212072 0.25000000000000 35.453 > 43 44 Cl 0.00000000000000 0.73861462212072 0.25000000000000 35.453 > 43 45 Cl 0.50000000000000 0.01138537787928 0.75000000000000 35.453 > 41 46 Cl 0.50000000000000 0.51138537787928 0.75000000000000 35.453 > 41 47 Cl 0.50000000000000 0.48861462212072 0.25000000000000 35.453 > 43 48 Cl 0.50000000000000 0.98861462212072 0.25000000000000 35.453 > 43 49 O 0.34622384109438 0.19431420151293 0.65613496945815 15.999 > 49 50 O 0.34622384109438 0.69431420151293 0.65613496945815 15.999 > 49 51 O 0.35465523917249 0.13022652957528 0.35210423859547 15.999 > 51 52 O 0.35465523917249 0.63022652957528 0.35210423859547 15.999 > 51 53 O 0.15377615890562 0.05568579848707 0.34386503054185 15.999 > 53 54 O 0.15377615890562 0.55568579848707 0.34386503054185 15.999 > 53 55 O 0.26372530152704 0.47023878252242 0.58121498334482 15.999 > 55 56 O 0.26372530152704 0.97023878252242 0.58121498334482 15.999 > 55 57 O 0.07580957663332 0.06447400091276 0.03426607804546 15.999 > 57 58 O 0.07580957663332 0.56447400091276 0.03426607804546 15.999 > 57 59 O 0.26372530152704 0.02976121747758 0.08121498334482 15.999 > 59 60 O 0.26372530152704 0.52976121747758 0.08121498334482 15.999 > 59 61 O 0.42419042336668 0.18552599908724 0.96573392195454 15.999 > 61 62 O 0.42419042336668 0.68552599908724 0.96573392195454 15.999 > 61 63 O 0.14534476082751 0.38022652957527 0.14789576140453 15.999 > 63 64 O 0.14534476082751 0.88022652957527 0.14789576140453 15.999 > 63 65 O 0.15377615890562 0.44431420151293 0.84386503054185 15.999 > 65 66 O 0.15377615890562 0.94431420151293 0.84386503054185 15.999 > 65 67 O 0.35465523917249 0.36977347042473 0.85210423859547 15.999 > 67 68 O 0.35465523917249 0.86977347042473 0.85210423859547 15.999 > 67 69 O 0.42419042336668 0.31447400091276 0.46573392195454 15.999 > 69 70 O 0.42419042336668 0.81447400091276 0.46573392195454 15.999 > 69 71 O 0.23627469847296 0.22023878252242 0.91878501665518 15.999 > 71 72 O 0.23627469847296 0.72023878252242 0.91878501665518 15.999 > 71 73 O 0.14534476082751 0.11977347042473 0.64789576140453 15.999 > 73 74 O 0.14534476082751 0.61977347042473 0.64789576140453 15.999 > 73 75 O 0.23627469847296 0.27976121747758 0.41878501665518 15.999 > 75 76 O 0.23627469847296 0.77976121747758 0.41878501665518 15.999 > 75 77 O 0.34622384109438 0.30568579848707 0.15613496945815 15.999 > 77 78 O 0.34622384109438 0.80568579848707 0.15613496945815 15.999 > 77 79 O 0.07580957663332 0.43552599908724 0.53426607804546 15.999 > 79 80 O 0.07580957663332 0.93552599908724 0.53426607804546 15.999 > 79 81 O 0.84622384109438 0.44431420151293 0.65613496945815 15.999 > 49 82 O 0.84622384109438 0.94431420151293 0.65613496945815 15.999 > 49 83 O 0.85465523917249 0.38022652957527 0.35210423859547 15.999 > 51 84 O 0.85465523917249 0.88022652957527 0.35210423859547 15.999 > 51 85 O 0.65377615890562 0.30568579848707 0.34386503054185 15.999 > 53 86 O 0.65377615890562 0.80568579848707 0.34386503054185 15.999 > 53 87 O 0.76372530152704 0.22023878252242 0.58121498334482 15.999 > 55 88 O 0.76372530152704 0.72023878252242 0.58121498334482 15.999 > 55 89 O 0.57580957663332 0.31447400091276 0.03426607804546 15.999 > 57 90 O 0.57580957663332 0.81447400091276 0.03426607804546 15.999 > 57 91 O 0.76372530152704 0.27976121747758 0.08121498334482 15.999 > 59 92 O 0.76372530152704 0.77976121747758 0.08121498334482 15.999 > 59 93 O 0.92419042336668 0.43552599908724 0.96573392195454 15.999 > 61 94 O 0.92419042336668 0.93552599908724 0.96573392195454 15.999 > 61 95 O 0.64534476082751 0.13022652957528 0.14789576140453 15.999 > 63 96 O 0.64534476082751 0.63022652957528 0.14789576140453 15.999 > 63 97 O 0.65377615890562 0.19431420151293 0.84386503054185 15.999 > 65 98 O 0.65377615890562 0.69431420151293 0.84386503054185 15.999 > 65 99 O 0.85465523917249 0.11977347042473 0.85210423859547 15.999 > 67 100 O 0.85465523917249 0.61977347042473 0.85210423859547 15.999 > 67 101 O 0.92419042336668 0.06447400091276 0.46573392195454 15.999 > 69 102 O 0.92419042336668 0.56447400091276 0.46573392195454 15.999 > 69 103 O 0.73627469847296 0.47023878252242 0.91878501665518 15.999 > 71 104 O 0.73627469847296 0.97023878252242 0.91878501665518 15.999 > 71 105 O 0.64534476082751 0.36977347042473 0.64789576140453 15.999 > 73 106 O 0.64534476082751 0.86977347042473 0.64789576140453 15.999 > 73 107 O 0.73627469847296 0.02976121747758 0.41878501665518 15.999 > 75 108 O 0.73627469847296 0.52976121747758 0.41878501665518 15.999 > 75 109 O 0.84622384109438 0.05568579848707 0.15613496945815 15.999 > 77 110 O 0.84622384109438 0.55568579848707 0.15613496945815 15.999 > 77 111 O 0.57580957663332 0.18552599908724 0.53426607804546 15.999 > 79 112 O 0.57580957663332 0.68552599908724 0.53426607804546 15.999 > 79 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 3.8588170 0.0000000 -0.0810307 0.0000000 3.8352553 0.0000000 -0.0810365 0.0000000 3.7958620 -------------------------- Born effective charges -------------------------- 1 Nd 3.7424931 0.2449158 -0.1423306 0.1642092 4.4017193 0.1276273 -0.1485544 0.1170023 3.8683943 2 Nd 3.7424931 -0.2449158 -0.1423306 -0.1642092 4.4017193 -0.1276273 -0.1485544 -0.1170023 3.8683943 3 Nd 3.7424931 -0.2449158 -0.1423306 -0.1642092 4.4017193 -0.1276273 -0.1485544 -0.1170023 3.8683943 4 Nd 4.4661859 0.0000000 -0.0502665 0.0000000 3.5156704 -0.0000000 -0.0270733 -0.0000000 3.9858640 5 Nd 3.7424931 0.2449158 -0.1423306 0.1642092 4.4017193 0.1276273 -0.1485544 0.1170023 3.8683943 6 Nd 4.4661859 0.0000000 -0.0502665 0.0000000 3.5156704 -0.0000000 -0.0270733 -0.0000000 3.9858640 7 Si 2.7095939 -0.0601051 -0.0755750 0.0300325 2.6943831 -0.1260208 -0.1115163 -0.0524197 3.3073380 8 Si 2.7095939 0.0601051 -0.0755750 -0.0300325 2.6943831 0.1260208 -0.1115163 0.0524197 3.3073380 9 Si 2.7095939 0.0601051 -0.0755750 -0.0300325 2.6943831 0.1260208 -0.1115163 0.0524197 3.3073380 10 Si 2.7095939 -0.0601051 -0.0755750 0.0300325 2.6943831 -0.1260208 -0.1115163 -0.0524197 3.3073380 11 Cl -1.6913524 0.0000000 0.2647830 0.0000000 -1.4468287 -0.0000000 0.2345252 -0.0000000 -0.6039182 12 Cl -1.6913524 0.0000000 0.2647830 0.0000000 -1.4468287 -0.0000000 0.2345252 -0.0000000 -0.6039182 13 O -1.9764416 -0.2395413 0.0515940 -0.2187358 -1.7996404 0.3708734 0.0633036 0.3959005 -2.5049415 14 O -1.9541307 -0.1328141 0.1477323 -0.1265840 -2.4980469 -0.3970155 0.1883325 -0.3889070 -1.6967926 15 O -1.9764416 -0.2395413 0.0515940 -0.2187358 -1.7996404 0.3708734 0.0633036 0.3959005 -2.5049415 16 O -1.9217421 0.1510553 0.0320902 0.1606800 -1.8762734 -0.1670089 0.0653749 -0.1327669 -2.4741083 17 O -1.9871893 -0.0120030 -0.1207691 -0.0183388 -1.9565626 -0.1657008 -0.1606662 -0.2224770 -2.1908627 18 O -1.9217421 -0.1510553 0.0320902 -0.1606800 -1.8762734 0.1670089 0.0653749 0.1327669 -2.4741083 19 O -1.9871893 -0.0120030 -0.1207691 -0.0183388 -1.9565626 -0.1657008 -0.1606662 -0.2224770 -2.1908627 20 O -1.9541307 0.1328141 0.1477323 0.1265840 -2.4980469 0.3970155 0.1883325 0.3889070 -1.6967926 21 O -1.9764416 0.2395413 0.0515940 0.2187358 -1.7996404 -0.3708734 0.0633036 -0.3959005 -2.5049415 22 O -1.9541307 0.1328141 0.1477323 0.1265840 -2.4980469 0.3970155 0.1883325 0.3889070 -1.6967926 23 O -1.9871893 0.0120030 -0.1207691 0.0183388 -1.9565626 0.1657008 -0.1606662 0.2224770 -2.1908627 24 O -1.9217421 -0.1510553 0.0320902 -0.1606800 -1.8762734 0.1670089 0.0653749 0.1327669 -2.4741083 25 O -1.9541307 -0.1328141 0.1477323 -0.1265840 -2.4980469 -0.3970155 0.1883325 -0.3889070 -1.6967926 26 O -1.9217421 0.1510553 0.0320902 0.1606800 -1.8762734 -0.1670089 0.0653749 -0.1327669 -2.4741083 27 O -1.9764416 0.2395413 0.0515940 0.2187358 -1.7996404 -0.3708734 0.0633036 -0.3959005 -2.5049415 28 O -1.9871893 0.0120030 -0.1207691 0.0183388 -1.9565626 0.1657008 -0.1606662 0.2224770 -2.1908627 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: 0.00000000 (yyy) 0.00000000 (yyy) 0.00000000 (yyy) Max drift of fc2: 0.00000000 (xx) 0.00000000 (xx) --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperature: 0.0 10.0 20.0 30.0 40.0 ... 1000.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 Length for sampling mesh generation: 50.00 Generating grid system ... [ 9 9 6 ] fc3-r2q-transformation over three atoms: True --------------------------- Phonon calculations ---------------------------- Use NAC by Gonze et al. (no real space sum in current implementation) PRB 50, 13035(R) (1994), PRB 55, 10355 (1997) G-cutoff distance: 0.57, Number of G-points: 301, Lambda: 0.12 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/140) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 140 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 1.683 ( 0.000 0.000 0.000) 0.000 1.727 ( 0.000 0.000 0.000) 0.000 2.386 ( 0.000 0.000 0.000) 0.000 2.464 ( 0.000 0.000 0.000) 0.000 2.915 ( 0.000 0.000 0.000) 0.000 2.949 ( 0.000 0.000 0.000) 0.000 3.046 ( 0.000 0.000 0.000) 0.000 3.187 ( 0.000 0.000 0.000) 0.000 3.370 ( 0.000 0.000 0.000) 0.000 3.554 ( 0.000 0.000 0.000) 0.000 3.684 ( 0.000 0.000 0.000) 0.000 3.983 ( 0.000 0.000 0.000) 0.000 4.063 ( 0.000 0.000 0.000) 0.000 4.116 ( 0.000 0.000 0.000) 0.000 4.277 ( 0.000 0.000 0.000) 0.000 4.710 ( 0.000 0.000 0.000) 0.000 4.959 ( 0.000 0.000 0.000) 0.000 4.970 ( 0.000 0.000 0.000) 0.000 5.174 ( 0.000 0.000 0.000) 0.000 5.434 ( 0.000 0.000 0.000) 0.000 5.740 ( 0.000 0.000 0.000) 0.000 5.874 ( 0.000 0.000 0.000) 0.000 6.029 ( 0.000 0.000 0.000) 0.000 6.037 ( 0.000 0.000 0.000) 0.000 6.310 ( 0.000 0.000 0.000) 0.000 6.412 ( 0.000 0.000 0.000) 0.000 6.441 ( 0.000 0.000 0.000) 0.000 6.594 ( 0.000 0.000 0.000) 0.000 6.651 ( 0.000 0.000 0.000) 0.000 6.898 ( 0.000 0.000 0.000) 0.000 6.977 ( 0.000 0.000 0.000) 0.000 7.108 ( 0.000 0.000 0.000) 0.000 7.242 ( 0.000 0.000 0.000) 0.000 7.262 ( 0.000 0.000 0.000) 0.000 7.306 ( 0.000 0.000 0.000) 0.000 7.669 ( 0.000 0.000 0.000) 0.000 7.740 ( 0.000 0.000 0.000) 0.000 7.978 ( 0.000 0.000 0.000) 0.000 8.353 ( 0.000 0.000 0.000) 0.000 8.635 ( 0.000 0.000 0.000) 0.000 8.831 ( 0.000 0.000 0.000) 0.000 9.296 ( 0.000 0.000 0.000) 0.000 9.531 ( 0.000 0.000 0.000) 0.000 9.626 ( 0.000 0.000 0.000) 0.000 9.740 ( 0.000 0.000 0.000) 0.000 10.889 ( 0.000 0.000 0.000) 0.000 10.953 ( 0.000 0.000 0.000) 0.000 11.478 ( 0.000 0.000 0.000) 0.000 12.105 ( 0.000 0.000 0.000) 0.000 12.462 ( 0.000 0.000 0.000) 0.000 12.514 ( 0.000 0.000 0.000) 0.000 12.598 ( 0.000 0.000 0.000) 0.000 13.172 ( 0.000 0.000 0.000) 0.000 13.630 ( 0.000 0.000 0.000) 0.000 14.062 ( 0.000 0.000 0.000) 0.000 14.201 ( 0.000 0.000 0.000) 0.000 14.750 ( 0.000 0.000 0.000) 0.000 14.917 ( 0.000 0.000 0.000) 0.000 15.191 ( 0.000 0.000 0.000) 0.000 15.198 ( 0.000 0.000 0.000) 0.000 15.619 ( 0.000 0.000 0.000) 0.000 15.682 ( 0.000 0.000 0.000) 0.000 16.212 ( 0.000 0.000 0.000) 0.000 16.555 ( 0.000 0.000 0.000) 0.000 16.988 ( 0.000 0.000 0.000) 0.000 24.404 ( 0.000 0.000 0.000) 0.000 24.477 ( 0.000 0.000 0.000) 0.000 24.477 ( 0.000 0.000 0.000) 0.000 24.605 ( 0.000 0.000 0.000) 0.000 25.678 ( 0.000 0.000 0.000) 0.000 25.992 ( 0.000 0.000 0.000) 0.000 26.190 ( 0.000 0.000 0.000) 0.000 26.208 ( 0.000 0.000 0.000) 0.000 26.768 ( 0.000 0.000 0.000) 0.000 26.806 ( 0.000 0.000 0.000) 0.000 26.911 ( 0.000 0.000 0.000) 0.000 27.366 ( 0.000 0.000 0.000) 0.000 28.487 ( 0.000 0.000 0.000) 0.000 28.713 ( 0.000 0.000 0.000) 0.000 28.919 ( 0.000 0.000 0.000) 0.000 30.208 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/140) ======================= q-point: ( 0.11 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 244 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.568 ( 8.450 -28.360 0.210) 29.593 0.625 ( 14.443 -28.856 -3.000) 32.408 1.119 ( 18.902 -52.496 2.173) 55.838 1.684 ( 0.038 -0.603 -0.267) 0.661 1.719 ( -0.482 0.813 -0.705) 1.180 2.358 ( -2.413 2.110 -0.493) 3.244 2.499 ( -1.379 -4.015 3.328) 5.394 2.831 ( -1.385 7.259 -0.208) 7.393 2.993 ( -2.253 -3.689 1.598) 4.609 3.039 ( 2.765 3.622 -0.827) 4.631 3.210 ( 2.091 -1.512 2.832) 3.832 3.400 ( -4.695 -1.046 -1.267) 4.974 3.601 ( -3.621 -3.049 1.781) 5.058 3.673 ( 5.630 1.109 -5.192) 7.738 3.960 ( -3.866 4.264 7.816) 9.707 4.029 ( -2.232 0.991 -3.309) 4.112 4.145 ( 3.206 -0.274 -2.745) 4.230 4.336 ( 1.760 -4.742 1.118) 5.180 4.717 ( -5.908 4.286 -3.366) 8.037 5.024 ( 0.238 -2.952 1.532) 3.334 5.084 ( -6.691 -8.453 2.234) 11.010 5.318 ( 13.437 2.354 9.169) 16.437 5.480 ( 2.532 -3.937 0.720) 4.736 5.728 ( 0.647 1.351 -0.614) 1.618 5.794 ( 3.090 7.403 -1.645) 8.189 6.043 ( -6.850 -0.685 3.032) 7.522 6.170 ( 7.610 5.530 -2.798) 9.815 6.297 ( -8.702 -1.997 -1.994) 9.149 6.412 ( 2.670 -0.872 -4.176) 5.033 6.499 ( 10.028 4.769 1.213) 11.170 6.695 ( 1.180 -3.299 0.656) 3.564 6.822 ( -0.593 6.856 -0.221) 6.885 6.913 ( 7.087 5.875 -3.284) 9.773 7.035 ( 1.793 -5.976 -3.831) 7.321 7.169 ( 4.230 -2.476 4.104) 6.393 7.291 ( -0.706 -0.349 -6.459) 6.507 7.350 ( 1.523 -6.235 6.493) 9.130 7.587 ( -1.535 3.430 0.730) 3.828 7.795 ( -5.119 -5.579 1.863) 7.798 8.001 ( 4.668 -1.144 -3.733) 6.086 8.376 ( 1.282 -1.799 -0.051) 2.210 8.583 ( -3.826 3.457 -1.032) 5.259 8.679 ( 2.809 3.324 2.665) 5.104 9.217 ( -4.056 5.508 0.463) 6.856 9.257 ( -3.674 3.501 -2.302) 5.572 9.589 ( -3.760 -0.640 4.139) 5.629 9.609 ( -9.241 -2.055 -1.400) 9.569 9.763 ( 6.797 0.787 -1.730) 7.058 10.846 ( -9.186 1.243 2.893) 9.710 10.994 ( 5.110 2.988 -2.811) 6.553 11.511 ( -6.535 -6.272 0.549) 9.075 12.070 ( 1.100 4.121 -0.882) 4.356 12.412 ( 5.110 10.384 2.744) 11.894 12.434 ( 1.191 4.301 -0.457) 4.487 12.716 ( 2.893 -7.648 -0.795) 8.216 13.525 ( -19.310 -10.710 -0.690) 22.092 13.870 ( 5.964 1.547 -3.285) 6.982 14.139 ( -5.767 -2.280 -3.552) 7.146 14.602 ( -1.522 10.669 -2.307) 11.021 14.792 ( 26.939 14.988 18.317) 35.859 14.970 ( 2.292 -3.637 0.396) 4.317 15.186 ( 0.056 1.174 0.427) 1.251 15.289 ( 2.084 -6.297 2.801) 7.200 15.636 ( 2.218 -1.141 -9.765) 10.078 15.695 ( -0.036 -1.394 0.232) 1.414 16.185 ( -0.904 2.519 -1.174) 2.923 16.599 ( -4.948 -3.490 -1.607) 6.264 16.988 ( 2.626 1.341 1.072) 3.137 24.388 ( -0.676 1.240 0.216) 1.429 24.461 ( -0.753 0.104 -0.917) 1.191 24.506 ( 1.842 -0.685 1.439) 2.436 24.632 ( -1.883 -0.936 -0.593) 2.184 25.709 ( 0.633 -1.908 -0.283) 2.030 26.030 ( 9.570 8.317 -1.306) 12.747 26.188 ( -0.041 0.461 -0.579) 0.741 26.241 ( 8.642 1.066 0.842) 8.748 26.721 ( -0.925 3.655 0.241) 3.778 26.803 ( 2.107 2.351 1.808) 3.638 27.439 ( -1.335 -8.391 -1.359) 8.605 28.420 ( -23.876 -7.746 17.475) 30.585 28.525 ( -5.086 -5.090 8.142) 10.866 28.752 ( 4.115 -3.368 -23.823) 24.409 28.912 ( 1.610 1.407 -0.448) 2.185 30.269 ( -10.500 4.121 -0.613) 11.296 ======================= Grid point 2 (3/140) ======================= q-point: ( 0.22 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 244 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.107 ( 7.820 -25.530 -1.054) 26.721 1.211 ( 13.093 -25.461 -2.316) 28.723 1.669 ( -2.887 -2.673 0.850) 4.025 1.692 ( 0.439 1.399 0.101) 1.470 2.088 ( 17.587 -29.749 -2.236) 34.631 2.294 ( -2.196 -2.202 0.637) 3.175 2.543 ( -7.639 -2.782 3.933) 9.031 2.709 ( 0.313 2.286 2.069) 3.099 2.980 ( -0.496 3.192 1.669) 3.636 3.036 ( -3.074 -2.655 1.427) 4.306 3.276 ( 5.100 -1.915 2.090) 5.835 3.431 ( -5.862 -4.712 1.850) 7.745 3.565 ( 0.727 0.186 -4.553) 4.614 3.766 ( 2.988 -3.386 -3.058) 5.454 3.780 ( -8.634 8.498 6.128) 13.577 4.025 ( -0.921 -1.644 -0.908) 2.092 4.153 ( 4.182 1.360 -4.084) 6.001 4.412 ( 4.771 -1.285 0.115) 4.942 4.704 ( -3.681 -6.249 -0.708) 7.287 5.009 ( -3.619 2.000 0.624) 4.182 5.189 ( -0.638 -6.972 0.517) 7.021 5.428 ( 5.027 -3.640 4.849) 7.876 5.583 ( -1.236 -5.116 -0.177) 5.266 5.713 ( 3.536 2.554 -0.242) 4.369 5.722 ( 2.279 1.027 -2.450) 3.500 5.941 ( -1.245 7.024 -0.633) 7.162 6.038 ( -8.023 6.612 0.217) 10.399 6.288 ( -0.444 1.657 -2.478) 3.014 6.494 ( 6.339 -0.663 -3.087) 7.082 6.514 ( 1.387 -4.549 -0.150) 4.758 6.705 ( 1.500 5.309 2.358) 6.000 6.764 ( 1.391 -2.942 1.506) 3.586 6.888 ( 5.842 2.904 -2.094) 6.852 7.144 ( -3.647 -2.911 0.468) 4.690 7.216 ( 5.147 -1.773 -13.155) 14.237 7.309 ( 2.046 -2.946 7.239) 8.079 7.433 ( 0.334 -0.935 5.950) 6.033 7.579 ( 2.431 -1.371 0.204) 2.799 7.850 ( -5.600 -5.952 6.449) 10.411 8.083 ( 3.514 -4.558 -5.463) 7.935 8.405 ( -0.436 1.862 -0.478) 1.971 8.486 ( -2.642 1.528 0.838) 3.165 8.595 ( -1.221 7.505 -0.915) 7.659 9.074 ( -0.166 8.701 0.017) 8.702 9.145 ( 1.477 6.737 -2.554) 7.355 9.550 ( -0.905 2.569 -5.000) 5.694 9.569 ( -9.019 -1.643 6.032) 10.974 9.790 ( 3.238 1.447 1.450) 3.831 10.717 ( -10.648 4.057 2.835) 11.742 10.991 ( 6.240 2.336 -2.764) 7.213 11.571 ( -11.203 -7.990 1.197) 13.812 12.001 ( 2.366 4.660 -2.273) 5.699 12.267 ( 9.683 12.258 1.253) 15.671 12.344 ( -1.453 5.805 0.764) 6.032 12.886 ( 4.773 -8.101 -0.257) 9.406 13.573 ( -8.160 -7.212 -0.369) 10.897 13.896 ( 0.586 -1.164 -0.251) 1.327 14.127 ( -1.206 0.097 -0.804) 1.453 14.364 ( -1.260 12.221 -4.224) 12.992 14.812 ( 15.718 5.264 7.856) 18.344 15.055 ( 1.277 -3.223 0.713) 3.539 15.178 ( 0.564 -0.831 0.445) 1.099 15.382 ( 0.919 -2.112 2.887) 3.693 15.670 ( 0.946 -1.956 -3.808) 4.384 15.726 ( -0.386 -2.182 0.478) 2.267 16.110 ( -2.019 4.432 -2.077) 5.295 16.627 ( -6.615 -5.132 -2.252) 8.670 16.984 ( 4.487 2.625 1.889) 5.531 24.360 ( -1.344 0.869 0.217) 1.615 24.459 ( 1.518 0.426 -0.452) 1.640 24.528 ( -0.354 -0.894 0.986) 1.377 24.631 ( -1.403 -0.525 -0.806) 1.701 25.759 ( 1.855 -2.453 -0.193) 3.082 25.962 ( 1.667 3.994 -1.115) 4.469 26.174 ( -0.398 0.828 -1.057) 1.400 26.283 ( 7.570 2.020 1.762) 8.030 26.655 ( -0.223 3.138 -0.216) 3.153 26.765 ( 0.253 2.929 0.914) 3.079 27.601 ( -0.804 -10.590 -1.685) 10.754 28.385 ( -11.992 -2.949 7.959) 14.692 28.592 ( -2.623 -5.084 5.451) 7.902 28.840 ( 1.625 -5.553 -8.418) 10.215 28.898 ( 3.460 1.615 -3.603) 5.250 30.055 ( -8.881 10.953 0.305) 14.104 ======================= Grid point 3 (4/140) ======================= q-point: ( 0.33 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 244 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.504 ( 3.308 -9.520 -0.984) 10.126 1.618 ( 8.442 -9.633 -3.759) 13.349 1.676 ( -4.874 -2.008 1.092) 5.383 1.807 ( 6.408 -16.876 0.560) 18.060 2.151 ( -1.965 2.513 -2.502) 4.054 2.372 ( 0.033 4.346 2.196) 4.870 2.739 ( -1.020 -6.409 6.024) 8.855 2.834 ( 3.555 -15.984 2.279) 16.532 2.920 ( 0.182 2.988 -1.445) 3.325 3.053 ( -2.478 -1.819 0.468) 3.110 3.346 ( 3.388 -0.098 0.792) 3.481 3.388 ( 3.194 6.056 -1.562) 7.023 3.474 ( -15.424 6.280 4.399) 17.225 3.715 ( 5.721 -2.631 -3.526) 7.217 3.864 ( -0.544 -7.266 2.626) 7.745 4.046 ( -0.264 -0.963 -1.589) 1.877 4.228 ( 5.412 -8.636 -3.179) 10.676 4.513 ( 7.394 -5.246 -0.297) 9.071 4.786 ( -4.989 -5.524 0.156) 7.445 4.945 ( -3.184 1.318 1.086) 3.613 5.310 ( 0.390 -6.799 -1.493) 6.972 5.473 ( 1.074 3.196 1.737) 3.792 5.596 ( 3.491 3.346 2.473) 5.432 5.700 ( -5.909 -2.166 0.730) 6.336 5.765 ( -0.787 -2.231 -3.110) 3.908 5.843 ( 4.402 4.602 -3.550) 7.291 5.848 ( -8.001 6.648 0.367) 10.409 6.220 ( -0.657 4.353 0.387) 4.420 6.509 ( 3.467 1.131 -1.645) 4.001 6.650 ( 4.890 -6.375 -3.792) 8.884 6.704 ( 2.417 -2.480 1.742) 3.876 6.814 ( 1.072 -1.097 1.921) 2.458 6.885 ( 4.459 2.382 0.842) 5.125 7.088 ( -4.676 1.333 -1.752) 5.168 7.321 ( -0.156 -0.248 -2.113) 2.133 7.346 ( 1.106 -2.859 -6.908) 7.558 7.472 ( 4.089 -2.503 13.828) 14.636 7.657 ( 2.872 -5.096 -0.822) 5.907 7.923 ( -3.325 -4.862 5.506) 8.063 8.168 ( -1.715 -3.435 -2.458) 4.559 8.287 ( -2.987 5.986 -1.030) 6.768 8.395 ( -4.294 10.802 -4.097) 12.325 8.534 ( 0.723 -3.980 2.091) 4.554 8.915 ( 5.039 11.202 -3.415) 12.749 9.073 ( 2.660 3.347 0.089) 4.276 9.503 ( 2.104 2.706 -2.909) 4.496 9.533 ( -8.032 -1.974 3.294) 8.903 9.754 ( -0.141 4.188 2.335) 4.797 10.570 ( -8.528 3.748 1.628) 9.457 10.998 ( 4.167 1.383 -1.830) 4.756 11.596 ( -11.015 -4.770 1.518) 12.100 11.956 ( 3.355 2.367 -2.071) 4.598 12.172 ( 10.006 7.383 -0.675) 12.454 12.222 ( -3.009 6.035 1.692) 6.953 13.063 ( 5.765 -7.128 0.263) 9.171 13.630 ( -3.884 -4.216 -0.107) 5.734 13.870 ( -6.955 2.071 0.353) 7.265 14.117 ( 1.565 0.914 0.075) 1.814 14.222 ( 3.727 3.812 -4.097) 6.724 14.858 ( 10.419 2.306 3.897) 11.360 15.082 ( -0.106 -0.174 0.938) 0.960 15.232 ( -0.671 -3.404 0.212) 3.476 15.400 ( 1.641 0.152 2.885) 3.323 15.706 ( 0.641 -1.800 -1.813) 2.634 15.756 ( -0.666 -1.518 0.053) 1.658 16.001 ( -2.933 5.296 -2.186) 6.437 16.665 ( -6.064 -5.299 -2.137) 8.332 16.970 ( 4.678 3.327 1.989) 6.075 24.339 ( -1.160 0.389 0.190) 1.238 24.470 ( 2.671 0.251 -0.158) 2.687 24.532 ( -2.104 -0.516 0.486) 2.221 24.627 ( -0.697 -0.189 -0.638) 0.964 25.810 ( 1.613 -1.465 0.072) 2.181 25.926 ( 0.712 0.889 -0.925) 1.467 26.152 ( -0.605 1.071 -0.871) 1.508 26.292 ( 4.856 2.742 1.905) 5.893 26.611 ( -0.174 1.683 -0.727) 1.842 26.720 ( -0.499 1.882 0.348) 1.978 27.768 ( 0.087 -8.486 -1.602) 8.636 28.351 ( -6.987 -1.043 4.808) 8.545 28.668 ( -2.219 -5.177 3.302) 6.529 28.852 ( 2.701 3.336 0.329) 4.305 29.000 ( 3.358 -8.631 -7.563) 11.957 29.771 ( -8.052 13.250 1.019) 15.538 ======================= Grid point 4 (5/140) ======================= q-point: ( 0.44 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 244 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.559 ( 2.087 -0.018 0.553) 2.159 1.631 ( -3.736 1.071 -0.235) 3.893 1.806 ( 2.868 -4.227 -3.023) 5.936 2.069 ( -3.042 0.273 1.542) 3.421 2.160 ( 4.176 -9.680 -1.097) 10.599 2.424 ( 5.836 -4.677 1.106) 7.560 2.762 ( -1.838 2.303 2.307) 3.743 2.889 ( -5.225 -6.072 0.005) 8.011 3.018 ( 3.794 -0.904 3.017) 4.931 3.051 ( 2.454 2.574 -4.593) 5.809 3.123 ( -9.696 9.663 3.749) 14.193 3.353 ( -0.990 0.006 -0.886) 1.328 3.468 ( 4.265 -0.127 -2.047) 4.733 3.720 ( 0.081 0.719 2.644) 2.741 3.987 ( 1.267 -3.273 0.359) 3.528 4.051 ( 0.454 0.079 -3.194) 3.227 4.495 ( 3.264 -12.579 2.411) 13.218 4.665 ( 3.578 -3.552 -1.832) 5.364 4.777 ( -3.448 1.470 -0.552) 3.789 4.993 ( 3.063 -8.408 1.208) 9.030 5.309 ( -6.409 11.263 -0.840) 12.986 5.411 ( 1.468 -2.975 -1.444) 3.618 5.545 ( 0.351 3.669 3.208) 4.886 5.703 ( -6.638 -2.721 -1.003) 7.244 5.725 ( -2.534 0.741 2.094) 3.370 5.769 ( 4.232 2.552 -2.525) 5.549 5.825 ( 1.652 0.867 -1.410) 2.338 6.157 ( -0.092 2.140 0.380) 2.176 6.516 ( 1.116 0.104 -1.105) 1.574 6.749 ( 3.785 -0.574 0.846) 3.921 6.805 ( 0.712 -2.554 -3.925) 4.736 6.845 ( 1.275 -3.981 0.911) 4.278 6.880 ( 1.990 0.222 2.136) 2.928 7.047 ( -1.292 0.985 -0.641) 1.747 7.204 ( -4.541 4.907 1.103) 6.776 7.461 ( 2.425 -4.418 -4.705) 6.895 7.550 ( 1.948 -0.853 7.197) 7.504 7.792 ( 2.360 -7.633 -0.230) 7.993 7.939 ( -2.416 2.412 1.558) 3.753 8.137 ( -3.279 1.208 4.951) 6.059 8.187 ( -1.037 7.260 -5.986) 9.466 8.235 ( -1.475 -0.285 -2.195) 2.660 8.620 ( -0.773 -4.796 2.901) 5.658 8.778 ( 4.194 7.586 -3.921) 9.514 9.055 ( 1.309 0.910 0.257) 1.614 9.482 ( 1.262 0.881 -1.307) 2.020 9.531 ( -2.862 -1.990 1.641) 3.853 9.671 ( -0.722 3.783 0.985) 3.975 10.474 ( -3.468 1.478 0.482) 3.801 11.003 ( 1.430 0.512 -0.620) 1.641 11.583 ( -4.221 -1.165 0.747) 4.442 11.967 ( 2.624 -0.513 -1.571) 3.101 12.110 ( -2.399 3.664 1.630) 4.673 12.153 ( 3.810 1.844 -0.669) 4.286 13.206 ( 3.575 -3.828 0.299) 5.247 13.632 ( -1.939 1.084 -0.162) 2.227 13.784 ( -4.101 0.517 0.038) 4.133 14.119 ( 0.976 0.256 0.070) 1.012 14.227 ( 2.208 -0.120 -1.550) 2.700 14.901 ( 4.556 0.305 1.656) 4.857 15.082 ( -0.080 0.032 -0.288) 0.301 15.235 ( -2.564 0.343 0.562) 2.647 15.446 ( 2.533 -1.848 1.467) 3.462 15.734 ( 0.386 -0.867 -0.469) 1.058 15.767 ( -0.415 -0.292 -0.510) 0.719 15.897 ( -1.994 3.106 -0.934) 3.807 16.700 ( -2.687 -2.566 -0.967) 3.839 16.952 ( 2.236 1.826 0.942) 3.037 24.329 ( -0.444 0.101 0.078) 0.462 24.490 ( 2.889 0.024 0.012) 2.889 24.517 ( -2.779 -0.097 0.068) 2.781 24.625 ( -0.164 -0.050 -0.216) 0.276 25.829 ( 0.440 -0.019 0.043) 0.442 25.936 ( 0.585 -0.745 -0.342) 1.007 26.130 ( -0.408 0.716 -0.295) 0.875 26.280 ( 1.625 1.376 0.784) 2.269 26.591 ( -0.115 0.478 -0.398) 0.632 26.696 ( -0.227 0.581 0.095) 0.631 27.875 ( 0.254 -3.359 -0.791) 3.460 28.326 ( -2.453 -0.106 1.846) 3.072 28.738 ( -2.322 -4.315 1.548) 5.139 28.809 ( 2.681 3.755 -0.502) 4.641 29.188 ( 3.904 -9.375 -3.656) 10.794 29.494 ( -5.779 11.155 1.706) 12.678 ======================= Grid point 10 (6/140) ======================= q-point: ( 0.11 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.478 ( 29.028 0.000 5.654) 29.573 0.496 ( 29.325 0.000 9.402) 30.796 0.827 ( 52.499 0.000 -7.441) 53.023 1.680 ( -0.411 -0.000 -0.268) 0.491 1.709 ( -2.057 -0.000 -1.879) 2.786 2.376 ( -1.292 -0.000 1.117) 1.708 2.455 ( -2.916 -0.000 6.227) 6.876 2.887 ( -3.325 -0.000 -2.717) 4.294 2.935 ( -0.466 -0.000 4.638) 4.662 3.109 ( -4.175 -0.000 -4.918) 6.452 3.204 ( -0.800 -0.000 7.499) 7.542 3.352 ( -1.211 -0.000 -3.089) 3.318 3.550 ( -0.486 -0.000 1.245) 1.337 3.722 ( 5.483 0.000 -7.385) 9.198 3.969 ( -8.877 -0.000 9.207) 12.790 4.009 ( -3.737 -0.000 -6.801) 7.760 4.159 ( 2.396 0.000 -0.905) 2.562 4.304 ( 1.524 0.000 2.172) 2.653 4.749 ( 4.610 0.000 1.443) 4.831 4.949 ( -2.966 -0.000 3.862) 4.869 4.988 ( 0.674 0.000 -1.070) 1.264 5.404 ( -3.114 -0.000 -2.940) 4.283 5.545 ( -4.864 -0.000 21.894) 22.428 5.750 ( 1.390 0.000 0.400) 1.446 5.848 ( -3.943 -0.000 5.331) 6.631 6.060 ( 2.607 0.000 -6.196) 6.722 6.147 ( 0.854 0.000 -6.201) 6.260 6.255 ( -9.265 -0.000 1.870) 9.452 6.587 ( 7.331 0.000 -3.459) 8.106 6.622 ( 4.959 0.000 0.956) 5.051 6.664 ( 1.380 0.000 0.790) 1.590 6.931 ( 4.050 0.000 0.405) 4.070 6.945 ( -1.390 -0.000 -0.882) 1.646 7.169 ( 3.480 0.000 -5.767) 6.736 7.249 ( 4.910 0.000 -4.115) 6.406 7.274 ( 1.429 0.000 0.047) 1.430 7.334 ( 2.217 0.000 3.782) 4.384 7.617 ( 2.048 0.000 -13.578) 13.731 7.647 ( -2.711 -0.000 -0.400) 2.741 7.988 ( 2.238 0.000 -8.229) 8.528 8.375 ( 2.593 0.000 0.010) 2.593 8.572 ( -6.401 -0.000 -0.183) 6.403 8.867 ( 2.893 0.000 -0.231) 2.903 8.922 ( -5.971 -0.000 12.493) 13.846 9.234 ( -5.859 -0.000 0.340) 5.869 9.494 ( -12.466 -0.000 2.888) 12.796 9.570 ( 2.875 0.000 2.066) 3.541 9.825 ( 6.618 0.000 -3.771) 7.617 10.757 ( -10.796 -0.000 2.092) 10.997 11.046 ( 6.200 0.000 -1.789) 6.453 11.429 ( -5.513 -0.000 -0.243) 5.519 12.121 ( 0.672 0.000 0.793) 1.039 12.457 ( -0.748 -0.000 1.182) 1.398 12.552 ( 5.196 0.000 -3.637) 6.343 12.727 ( 5.832 0.000 1.466) 6.014 13.185 ( 0.833 0.000 3.461) 3.560 13.954 ( 4.763 0.000 -9.274) 10.426 14.095 ( 3.558 0.000 1.837) 4.004 14.646 ( -8.332 -0.000 -5.548) 10.010 14.989 ( 5.737 0.000 -1.370) 5.898 15.128 ( -8.339 -0.000 14.276) 16.533 15.211 ( 0.426 0.000 6.896) 6.910 15.398 ( -3.158 -0.000 61.798) 61.879 15.665 ( 4.384 0.000 -35.275) 35.547 15.695 ( 5.824 0.000 -32.294) 32.815 16.197 ( -1.609 -0.000 -2.046) 2.603 16.496 ( -6.383 -0.000 -1.330) 6.520 17.025 ( 3.831 0.000 0.703) 3.895 24.402 ( -0.303 -0.000 0.783) 0.839 24.435 ( -2.803 -0.000 -1.061) 2.997 24.531 ( 2.347 0.000 1.773) 2.942 24.598 ( -0.785 -0.000 -0.805) 1.125 25.696 ( 2.186 0.000 -0.234) 2.198 26.173 ( -1.760 -0.000 -1.976) 2.646 26.202 ( -0.711 -0.000 0.174) 0.732 26.627 ( 4.122 0.000 -24.558) 24.901 26.798 ( -1.018 -0.000 0.559) 1.162 26.928 ( 1.798 0.000 1.450) 2.310 27.363 ( -0.382 -0.000 -0.224) 0.443 27.592 ( -6.855 -0.000 52.400) 52.847 28.492 ( 0.510 0.000 0.187) 0.543 28.720 ( 2.683 0.000 -23.284) 23.438 28.939 ( 2.669 0.000 -0.376) 2.696 30.158 ( -6.214 -0.000 0.873) 6.275 ======================= Grid point 11 (7/140) ======================= q-point: ( 0.22 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 244 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.812 ( 19.783 -16.229 6.473) 26.394 0.958 ( 24.635 -18.858 -2.922) 31.162 1.570 ( 24.957 -21.221 -0.345) 32.761 1.699 ( -1.169 -0.943 -0.254) 1.523 1.710 ( 11.445 -14.203 -3.573) 18.587 2.319 ( -2.148 4.388 0.360) 4.898 2.446 ( -7.191 -1.964 6.770) 10.069 2.786 ( -4.930 5.916 -0.968) 7.762 2.979 ( 1.772 -2.079 6.343) 6.906 3.027 ( -4.568 2.933 0.125) 5.430 3.229 ( -5.502 -4.923 6.339) 9.731 3.344 ( 1.633 -0.035 -2.765) 3.211 3.560 ( -1.887 -0.654 1.588) 2.551 3.770 ( 7.977 -1.191 -10.041) 12.879 3.850 ( -9.205 5.861 5.050) 12.024 3.993 ( -0.815 -1.121 -2.924) 3.236 4.181 ( 1.131 -0.326 -1.463) 1.878 4.369 ( 0.243 -5.719 1.145) 5.838 4.702 ( 4.350 5.794 0.141) 7.247 4.962 ( -6.792 -2.475 0.800) 7.273 5.075 ( 1.439 -6.577 0.459) 6.748 5.369 ( -3.129 -1.892 -0.248) 3.665 5.532 ( 0.085 -1.244 7.257) 7.363 5.750 ( 2.371 1.620 -0.192) 2.878 5.815 ( -3.305 1.884 5.001) 6.284 5.987 ( -0.488 4.118 -6.403) 7.628 6.123 ( -6.621 5.185 2.138) 8.677 6.287 ( 4.535 -5.979 -4.399) 8.699 6.469 ( 4.189 8.700 -2.880) 10.076 6.625 ( 5.592 3.671 0.455) 6.705 6.734 ( 3.520 -2.385 0.922) 4.351 6.836 ( 2.544 7.608 3.229) 8.647 7.034 ( 2.127 4.031 -8.253) 9.428 7.060 ( 8.176 0.331 -2.847) 8.664 7.267 ( -0.219 -2.043 -5.894) 6.241 7.296 ( 9.270 1.573 -0.558) 9.419 7.392 ( 0.842 -3.808 8.853) 9.674 7.583 ( 1.205 -0.502 0.888) 1.579 7.717 ( -4.495 -4.800 4.967) 8.241 8.051 ( 2.888 -2.993 -8.786) 9.720 8.410 ( 2.414 -0.977 -0.479) 2.648 8.496 ( -5.880 2.333 0.463) 6.343 8.703 ( -1.826 7.201 0.279) 7.434 9.139 ( -7.028 -8.047 -4.879) 11.745 9.159 ( -3.193 3.112 3.418) 5.618 9.422 ( -13.585 -3.016 6.037) 15.169 9.588 ( 1.171 0.558 -0.856) 1.554 9.848 ( 4.173 1.915 -0.585) 4.628 10.678 ( -11.115 0.616 3.213) 11.587 11.071 ( 4.468 2.089 -2.728) 5.636 11.390 ( -7.566 -2.824 0.674) 8.104 12.092 ( 1.929 3.583 -2.258) 4.654 12.409 ( -1.563 4.282 1.932) 4.951 12.556 ( 8.613 8.583 0.229) 12.162 12.794 ( 6.695 -5.900 -1.602) 9.066 13.333 ( -5.555 -11.416 2.938) 13.031 13.937 ( 4.133 3.716 -3.435) 6.534 14.141 ( 3.680 -0.408 0.010) 3.703 14.514 ( -4.886 7.398 -6.321) 10.889 14.992 ( -0.429 2.257 6.438) 6.835 15.076 ( 3.334 1.876 6.999) 7.977 15.200 ( 0.888 2.506 5.484) 6.095 15.392 ( 7.671 1.578 12.294) 14.576 15.652 ( 3.070 -0.205 -15.606) 15.906 15.697 ( 0.787 -0.687 -1.824) 2.102 16.152 ( -2.598 2.752 -3.150) 4.924 16.482 ( -8.058 -4.167 -2.161) 9.325 17.051 ( 4.283 0.931 1.246) 4.557 24.372 ( -1.140 1.592 0.219) 1.970 24.445 ( -1.150 -1.968 -0.267) 2.295 24.538 ( 1.365 1.101 1.211) 2.132 24.601 ( -1.326 -1.118 -1.025) 2.015 25.737 ( 2.835 -2.018 -0.213) 3.486 26.082 ( -0.479 7.369 -2.001) 7.651 26.184 ( -0.458 0.807 -0.959) 1.335 26.464 ( 13.234 10.337 -3.962) 17.253 26.705 ( -1.203 3.007 1.353) 3.510 26.869 ( 5.114 7.257 4.298) 9.863 27.394 ( -3.587 -9.947 -2.548) 10.876 28.048 ( -19.907 -23.553 17.995) 35.705 28.518 ( 0.323 -2.513 1.293) 2.844 28.749 ( 1.310 -4.003 -13.858) 14.484 28.955 ( 3.984 1.235 -0.878) 4.263 30.088 ( -11.401 2.840 0.763) 11.774 ======================= Grid point 12 (8/140) ======================= q-point: ( 0.33 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 244 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.269 ( 11.974 -18.982 2.806) 22.617 1.464 ( 17.027 -18.298 -3.125) 25.189 1.633 ( -1.241 -0.732 -2.608) 2.980 1.706 ( 1.853 -1.603 0.573) 2.516 2.186 ( -2.351 4.413 -2.856) 5.758 2.396 ( -10.005 0.930 4.071) 10.841 2.519 ( 24.599 -27.959 0.852) 37.250 2.669 ( -5.836 -0.035 3.082) 6.600 2.946 ( -4.651 1.025 1.298) 4.937 3.040 ( 3.984 -0.745 7.004) 8.092 3.283 ( -11.743 -6.680 2.228) 13.693 3.383 ( 4.813 -1.474 0.351) 5.046 3.528 ( -2.836 3.719 -0.393) 4.694 3.695 ( -1.533 2.689 3.037) 4.337 3.843 ( 4.919 -0.317 -9.759) 10.933 4.022 ( 0.630 -1.607 2.736) 3.235 4.189 ( 2.409 -1.363 -3.506) 4.467 4.478 ( 0.802 -5.958 0.533) 6.035 4.694 ( 4.417 -1.089 0.111) 4.551 4.919 ( -7.139 0.158 -0.581) 7.165 5.199 ( 1.144 -6.483 -1.004) 6.659 5.431 ( -4.878 -7.083 0.189) 8.602 5.585 ( -0.058 -3.109 2.855) 4.222 5.712 ( -5.633 4.175 3.582) 7.874 5.749 ( 1.594 2.787 -0.071) 3.211 5.884 ( -4.971 4.715 -3.152) 7.542 6.005 ( 5.401 6.540 -1.452) 8.605 6.293 ( 1.948 6.391 -1.700) 6.894 6.501 ( 0.165 -8.592 -3.434) 9.254 6.594 ( 4.054 4.465 -1.673) 6.258 6.758 ( 3.801 2.208 3.422) 5.571 6.802 ( 3.001 -0.850 1.721) 3.562 6.966 ( 0.936 3.633 -0.070) 3.752 7.109 ( 2.776 1.888 -2.393) 4.122 7.276 ( 5.271 -2.445 -12.689) 13.956 7.367 ( 1.496 1.102 0.267) 1.877 7.468 ( 3.566 -3.942 11.563) 12.727 7.625 ( 2.032 -1.907 0.695) 2.872 7.801 ( -1.469 -6.575 8.339) 10.720 8.105 ( 0.985 -2.494 -6.086) 6.651 8.354 ( -4.681 4.826 -0.963) 6.792 8.490 ( 2.120 -1.589 0.614) 2.719 8.523 ( -6.986 8.607 -3.070) 11.503 9.084 ( -2.068 3.755 3.795) 5.725 9.139 ( 0.530 3.321 -5.552) 6.491 9.400 ( -9.660 -4.783 4.089) 11.528 9.566 ( 0.929 2.357 -3.522) 4.339 9.823 ( 0.626 3.422 2.698) 4.402 10.566 ( -8.543 3.047 3.661) 9.781 11.050 ( 1.656 2.254 -2.943) 4.060 11.409 ( -8.349 -5.886 1.112) 10.275 12.040 ( 3.027 3.943 -3.122) 5.870 12.300 ( -2.433 6.398 2.680) 7.351 12.440 ( 9.238 11.649 0.034) 14.868 12.978 ( 6.492 -8.239 -1.409) 10.583 13.473 ( -4.270 -9.056 3.040) 10.464 13.882 ( -1.800 4.190 -1.103) 4.692 14.158 ( 3.142 1.449 -1.576) 3.802 14.353 ( 2.754 7.424 -4.461) 9.089 14.970 ( 1.927 1.605 3.892) 4.630 15.096 ( 1.696 1.124 5.274) 5.653 15.190 ( 0.960 -1.047 0.582) 1.535 15.439 ( 5.615 1.114 5.712) 8.087 15.677 ( 1.341 -1.730 -5.803) 6.202 15.721 ( -0.392 -1.732 0.837) 1.964 16.058 ( -3.577 4.554 -3.605) 6.821 16.507 ( -7.158 -5.984 -2.137) 9.572 17.060 ( 4.191 2.249 1.491) 4.984 24.343 ( -0.696 0.867 0.169) 1.124 24.471 ( -0.548 -1.698 0.109) 1.787 24.523 ( -0.019 1.110 0.307) 1.152 24.609 ( -0.970 -0.869 -0.682) 1.470 25.799 ( 3.179 -2.131 0.079) 3.828 25.972 ( -0.024 4.492 -1.316) 4.681 26.162 ( -0.839 0.936 -1.467) 1.932 26.429 ( 9.118 5.658 0.865) 10.766 26.650 ( -0.340 2.806 -0.323) 2.845 26.776 ( 0.768 5.553 1.744) 5.871 27.577 ( -1.560 -12.443 -2.436) 12.775 28.197 ( -12.363 -9.374 9.790) 18.346 28.579 ( -0.538 -3.961 2.268) 4.596 28.844 ( 1.011 -6.678 -7.016) 9.738 28.959 ( 5.172 1.863 -2.859) 6.197 29.888 ( -11.557 8.808 1.103) 14.573 ======================= Grid point 13 (9/140) ======================= q-point: ( 0.44 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 244 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.538 ( -0.295 -3.712 0.495) 3.757 1.632 ( 0.160 0.190 0.820) 0.857 1.732 ( 6.735 -8.416 -5.052) 11.904 1.941 ( 8.705 -12.066 0.192) 14.880 2.112 ( -0.498 0.271 -1.576) 1.675 2.344 ( -2.933 -4.918 2.437) 6.223 2.653 ( -9.197 -5.555 4.968) 11.838 2.849 ( -5.024 -0.238 2.943) 5.828 2.983 ( 1.755 -1.907 -2.500) 3.601 3.082 ( 5.709 1.187 6.367) 8.634 3.257 ( -4.930 2.482 -0.563) 5.548 3.383 ( 1.657 5.345 -0.958) 5.677 3.498 ( 7.921 -3.822 -0.167) 8.796 3.761 ( 0.373 2.112 -4.385) 4.881 3.869 ( 0.607 -9.023 2.701) 9.438 4.034 ( -0.894 -0.386 -0.595) 1.141 4.326 ( 7.758 -10.014 -1.189) 12.723 4.608 ( 3.292 -7.071 -1.235) 7.897 4.771 ( 4.246 -1.166 -0.582) 4.442 4.886 ( -3.819 -4.273 0.907) 5.802 5.302 ( -1.771 -4.361 -1.843) 5.055 5.470 ( -2.066 1.071 0.865) 2.482 5.529 ( -13.169 3.522 0.181) 13.633 5.640 ( 1.013 -0.327 4.018) 4.156 5.733 ( -1.273 0.257 -2.502) 2.819 5.775 ( -2.588 2.778 1.501) 4.082 5.968 ( 10.251 5.416 -3.955) 12.250 6.194 ( -1.954 4.520 1.108) 5.047 6.544 ( 1.576 2.808 -3.665) 4.878 6.661 ( 0.124 -9.427 -4.780) 10.571 6.778 ( 2.138 0.473 1.977) 2.950 6.834 ( 1.066 -0.414 1.689) 2.039 6.902 ( -2.324 1.909 3.768) 4.821 7.109 ( 7.994 2.032 -0.799) 8.286 7.268 ( -5.315 6.061 -0.216) 8.065 7.385 ( 4.338 -5.800 -8.182) 10.927 7.594 ( 7.462 -1.014 10.154) 12.642 7.689 ( 1.178 -4.912 -0.312) 5.061 7.897 ( -1.672 -3.683 5.583) 6.895 8.138 ( -0.373 -1.445 0.220) 1.508 8.240 ( -2.789 4.144 -1.739) 5.289 8.297 ( -5.308 8.264 -6.418) 11.733 8.552 ( 0.939 -2.734 2.600) 3.888 8.976 ( -1.186 7.646 -0.214) 7.741 9.066 ( -0.507 3.538 -2.981) 4.653 9.442 ( -3.077 -4.859 2.201) 6.158 9.526 ( 1.107 2.250 -3.815) 4.566 9.746 ( -1.392 5.054 3.079) 6.079 10.474 ( -3.632 1.701 3.047) 5.037 11.018 ( -1.382 1.190 -2.279) 2.918 11.454 ( -6.710 -6.091 1.176) 9.138 12.008 ( 3.562 2.127 -2.523) 4.856 12.167 ( -3.154 6.164 2.174) 7.258 12.321 ( 7.667 9.551 -0.277) 12.251 13.157 ( 5.644 -6.243 -0.875) 8.461 13.585 ( -1.985 -5.751 2.685) 6.650 13.760 ( -6.162 4.138 -0.736) 7.459 14.148 ( 2.037 1.542 -2.033) 3.265 14.304 ( 7.379 3.808 -2.041) 8.551 14.948 ( -0.742 2.376 0.352) 2.514 15.086 ( -0.517 0.289 3.750) 3.797 15.223 ( 0.784 -0.961 0.153) 1.250 15.469 ( 5.587 0.842 4.447) 7.190 15.713 ( 0.734 -1.783 -1.832) 2.660 15.746 ( -0.536 -1.422 -0.058) 1.521 15.941 ( -3.652 4.593 -3.004) 6.592 16.569 ( -5.327 -6.934 -1.678) 8.903 17.040 ( 3.458 3.766 1.274) 5.269 24.332 ( 0.159 0.294 0.152) 0.367 24.485 ( -2.948 -0.863 0.229) 3.081 24.512 ( 2.027 0.324 -0.152) 2.058 24.614 ( -0.861 -0.639 -0.360) 1.131 25.846 ( 2.641 0.057 0.244) 2.653 25.925 ( -0.385 0.407 -0.785) 0.964 26.136 ( -1.086 0.832 -1.219) 1.833 26.386 ( 5.833 6.429 2.058) 8.922 26.605 ( -0.302 1.632 -1.158) 2.024 26.713 ( -0.564 1.921 0.557) 2.078 27.764 ( -0.056 -9.335 -1.882) 9.523 28.249 ( -6.689 -5.075 5.336) 9.949 28.646 ( -1.310 -4.244 1.662) 4.742 28.902 ( 3.266 2.608 0.429) 4.202 29.041 ( 3.979 -8.786 -6.772) 11.785 29.629 ( -9.753 10.668 1.720) 14.557 ======================= Grid point 14 (10/140) ======================= q-point: ( 0.56 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 244 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.533 ( -3.558 0.061 -0.967) 3.688 1.648 ( 3.916 -0.733 1.256) 4.178 1.843 ( 1.994 -0.212 -1.653) 2.598 2.039 ( 0.001 -2.576 -1.020) 2.771 2.209 ( 0.929 -3.906 0.661) 4.069 2.450 ( -1.937 2.162 -0.450) 2.938 2.685 ( -6.392 -4.293 2.438) 8.077 2.834 ( -1.966 -9.447 -0.268) 9.653 2.949 ( -9.714 -1.637 7.720) 12.516 3.097 ( 5.035 3.863 1.075) 6.437 3.174 ( 9.467 4.644 -3.520) 11.116 3.369 ( 2.527 0.269 -0.373) 2.569 3.522 ( 3.628 6.398 -9.325) 11.876 3.720 ( -0.858 0.058 6.569) 6.625 3.976 ( -2.442 -1.827 0.105) 3.051 4.030 ( -2.464 -0.905 -1.095) 2.845 4.569 ( 3.413 -4.970 2.800) 6.648 4.713 ( 5.754 0.445 -4.350) 7.227 4.782 ( 3.858 -1.036 -0.988) 4.115 5.053 ( 2.308 -6.818 2.158) 7.514 5.214 ( -3.563 3.956 -3.088) 6.155 5.413 ( -11.250 -2.646 6.629) 13.323 5.473 ( 1.844 -0.998 -2.310) 3.120 5.658 ( -1.018 -0.418 1.854) 2.156 5.713 ( 0.856 -1.268 0.369) 1.574 5.762 ( -1.574 -1.191 -1.315) 2.372 5.945 ( 9.736 6.373 -3.191) 12.066 6.116 ( -4.432 1.064 1.810) 4.904 6.511 ( -0.842 0.930 -3.617) 3.829 6.729 ( -6.266 2.062 1.595) 6.786 6.789 ( -1.282 -4.624 -3.988) 6.240 6.822 ( -2.366 0.316 1.215) 2.678 6.916 ( 1.766 0.789 3.469) 3.972 7.110 ( 3.703 4.118 4.812) 7.337 7.188 ( 4.727 -0.910 -4.250) 6.422 7.481 ( 1.852 -1.539 -6.955) 7.360 7.604 ( 1.951 3.833 5.341) 6.857 7.822 ( 1.919 -6.592 0.276) 6.872 7.889 ( -3.784 1.445 1.162) 4.214 8.095 ( -4.757 1.360 3.039) 5.806 8.201 ( 4.912 2.395 -3.750) 6.627 8.233 ( 2.540 -2.765 0.464) 3.784 8.600 ( -2.063 -2.665 3.064) 4.555 8.825 ( 0.070 8.027 -2.151) 8.310 9.007 ( -4.831 0.644 -0.883) 4.953 9.480 ( -0.461 0.718 -3.271) 3.380 9.531 ( 1.440 -3.312 1.324) 3.847 9.661 ( -0.715 2.765 1.005) 3.027 10.472 ( 2.669 -1.598 2.014) 3.706 10.983 ( -3.400 0.377 -1.351) 3.678 11.523 ( -3.125 -6.528 0.775) 7.279 11.996 ( 0.706 3.040 0.733) 3.205 12.076 ( -0.869 0.593 -1.288) 1.663 12.224 ( 4.168 7.198 0.257) 8.321 13.237 ( 0.305 1.129 -0.578) 1.304 13.617 ( 0.351 -1.089 -1.361) 1.778 13.743 ( -1.540 -5.004 3.131) 6.101 14.130 ( 0.606 1.734 -1.306) 2.253 14.288 ( 5.441 4.408 -0.423) 7.016 14.872 ( -7.041 2.390 -1.410) 7.568 15.086 ( -0.049 0.031 1.837) 1.838 15.251 ( 3.754 -0.802 -0.497) 3.870 15.480 ( 1.111 2.826 2.336) 3.831 15.737 ( -0.052 -0.398 0.716) 0.821 15.763 ( 0.225 -0.912 -1.148) 1.483 15.872 ( -0.651 -0.191 -0.978) 1.190 16.653 ( -2.726 -6.385 -0.835) 6.992 16.988 ( 1.856 4.581 0.567) 4.975 24.335 ( 1.125 0.001 0.052) 1.127 24.464 ( -3.431 -0.094 -0.069) 3.433 24.534 ( 2.283 -0.330 -0.012) 2.307 24.618 ( -0.669 -0.603 -0.018) 0.901 25.845 ( 1.454 1.279 -0.048) 1.937 25.929 ( -1.194 -0.496 -0.104) 1.297 26.121 ( -0.477 -0.182 -0.546) 0.747 26.317 ( 2.402 4.909 0.951) 5.547 26.589 ( -0.063 0.156 -0.496) 0.524 26.693 ( -0.186 0.219 0.185) 0.342 27.876 ( 0.069 -3.269 -0.632) 3.330 28.294 ( -1.895 -3.808 1.569) 4.534 28.708 ( -1.654 -4.058 0.760) 4.448 28.858 ( 3.327 5.003 -0.541) 6.032 29.236 ( 2.971 -6.918 -3.363) 8.246 29.404 ( -5.692 4.474 2.330) 7.606 ======================= Grid point 15 (11/140) ======================= q-point: (-0.33 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 244 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.516 ( -2.238 -1.115 -0.969) 2.681 1.684 ( 0.283 1.826 0.883) 2.048 1.819 ( 6.008 5.353 2.002) 8.292 2.094 ( -2.220 16.541 0.671) 16.702 2.107 ( -1.466 -2.875 0.806) 3.327 2.283 ( -8.901 0.388 -3.523) 9.581 2.742 ( -2.422 -4.517 -1.473) 5.333 2.918 ( -0.645 1.068 3.895) 4.090 3.020 ( 0.587 2.825 -1.311) 3.169 3.085 ( 6.466 -3.256 1.617) 7.418 3.233 ( 4.058 -4.718 -0.197) 6.226 3.357 ( -3.253 2.916 -1.603) 4.653 3.479 ( 8.318 -1.940 -4.687) 9.742 3.689 ( -3.819 1.044 1.835) 4.363 3.941 ( -3.750 1.967 -1.028) 4.358 4.039 ( -1.549 -1.614 3.539) 4.187 4.478 ( 1.006 15.375 -0.708) 15.424 4.593 ( -4.186 11.596 -1.012) 12.370 4.877 ( 7.147 -1.619 1.783) 7.541 4.960 ( -0.658 3.379 -2.763) 4.414 5.354 ( -0.964 -4.615 0.558) 4.748 5.440 ( -1.579 -5.273 5.086) 7.494 5.482 ( 0.433 0.946 -2.915) 3.095 5.679 ( -2.821 -5.215 -0.747) 5.976 5.764 ( -1.177 -1.541 0.504) 2.003 5.808 ( 5.906 -3.524 1.777) 7.103 5.897 ( 8.208 5.164 -1.696) 9.845 6.112 ( -5.269 -4.878 1.236) 7.286 6.489 ( -1.782 0.286 -1.813) 2.558 6.618 ( -9.654 2.337 0.903) 9.974 6.799 ( -1.153 0.091 0.469) 1.248 6.829 ( -1.462 -0.701 -0.411) 1.672 6.835 ( -0.690 6.180 0.218) 6.223 7.138 ( 6.633 0.575 4.507) 8.040 7.271 ( 2.747 -4.580 -3.679) 6.485 7.435 ( -0.688 5.120 -1.068) 5.275 7.527 ( 0.625 6.624 -3.293) 7.423 7.746 ( -3.284 7.033 0.855) 7.809 7.973 ( 2.516 -2.682 -1.644) 4.028 8.141 ( -2.114 -8.793 0.231) 9.047 8.221 ( 1.358 -3.333 0.554) 3.642 8.320 ( 7.829 -0.110 3.323) 8.506 8.590 ( -3.585 2.200 -1.021) 4.328 8.757 ( 0.377 -2.289 2.549) 3.446 8.971 ( -7.218 -2.591 -0.923) 7.724 9.456 ( -1.658 -0.294 -0.216) 1.698 9.598 ( 4.859 -0.752 -1.600) 5.170 9.675 ( -0.237 -4.148 -0.319) 4.167 10.564 ( 6.779 -4.027 0.764) 7.922 10.948 ( -4.852 -0.201 -0.241) 4.862 11.641 ( 2.885 -7.138 -0.107) 7.700 11.935 ( -1.349 2.119 0.936) 2.681 12.068 ( -3.939 2.300 -0.426) 4.581 12.176 ( 3.047 -1.093 -0.191) 3.243 13.142 ( -3.585 6.452 -0.630) 7.408 13.671 ( 2.552 -1.968 -0.433) 3.251 13.854 ( 3.528 -6.114 1.866) 7.301 14.094 ( -1.990 1.223 -0.045) 2.337 14.237 ( 3.079 4.744 0.558) 5.683 14.767 ( -9.508 1.514 -2.241) 9.886 15.086 ( 0.047 0.127 0.690) 0.703 15.298 ( 4.418 0.830 -1.435) 4.718 15.400 ( -2.869 3.329 0.272) 4.403 15.729 ( -0.319 1.024 0.574) 1.217 15.776 ( 0.529 0.046 0.184) 0.562 15.931 ( 1.757 -4.874 0.613) 5.217 16.737 ( 1.534 -3.394 0.761) 3.802 16.919 ( -1.523 3.110 -0.898) 3.577 24.348 ( 1.852 -0.067 -0.090) 1.855 24.440 ( -3.208 -0.326 0.020) 3.224 24.552 ( 1.546 0.124 -0.234) 1.568 24.626 ( -0.049 -0.640 0.344) 0.728 25.832 ( 0.864 1.452 -0.117) 1.694 25.913 ( -2.137 0.299 0.311) 2.180 26.135 ( 0.195 -1.290 0.036) 1.305 26.265 ( -0.240 2.067 -0.318) 2.105 26.594 ( 0.089 -0.676 0.193) 0.708 26.699 ( 0.172 -0.905 -0.003) 0.921 27.872 ( -0.253 3.396 0.548) 3.449 28.357 ( 1.745 -3.359 -1.200) 3.971 28.759 ( -0.077 -1.522 -0.932) 1.787 28.790 ( 0.819 3.400 -0.469) 3.528 29.137 ( -3.108 9.015 2.821) 9.945 29.569 ( 3.597 -14.729 -0.869) 15.186 ======================= Grid point 16 (12/140) ======================= q-point: (-0.22 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 244 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.457 ( -2.595 15.536 1.507) 15.823 1.521 ( -3.140 11.203 0.425) 11.643 1.731 ( -0.801 13.416 -0.316) 13.444 1.765 ( 2.824 6.973 -0.480) 7.539 2.150 ( -2.309 -5.046 2.008) 5.901 2.347 ( -0.805 -5.198 -1.642) 5.510 2.723 ( 0.336 6.250 -2.950) 6.920 2.810 ( -0.870 17.865 0.048) 17.886 2.925 ( 0.184 -1.944 0.385) 1.990 3.115 ( 3.430 2.891 0.600) 4.526 3.273 ( -3.540 2.176 -1.469) 4.407 3.378 ( 0.574 -8.540 0.678) 8.586 3.626 ( -3.176 -0.114 0.337) 3.196 3.702 ( 10.462 -6.510 -2.524) 12.578 3.858 ( -1.683 5.080 0.048) 5.352 4.050 ( -0.067 0.256 1.897) 1.916 4.152 ( -4.257 11.946 0.740) 12.703 4.434 ( -2.157 5.052 0.577) 5.523 4.869 ( 3.961 6.998 -0.475) 8.055 4.971 ( 0.447 -3.011 -0.864) 3.164 5.312 ( 0.276 5.719 0.789) 5.779 5.447 ( -1.131 3.422 -1.123) 3.775 5.525 ( -3.664 -6.785 0.080) 7.712 5.722 ( -0.798 -0.086 2.276) 2.413 5.778 ( 1.105 3.139 -2.160) 3.967 5.830 ( 0.344 -1.722 1.167) 2.109 6.014 ( 9.762 -5.740 0.734) 11.348 6.188 ( -4.742 -7.511 0.897) 8.928 6.458 ( -2.270 1.520 -1.046) 2.925 6.559 ( -3.976 -2.808 0.607) 4.905 6.700 ( 0.226 7.624 0.654) 7.655 6.795 ( -0.656 1.019 -0.889) 1.504 6.826 ( -2.096 -0.917 0.088) 2.290 7.175 ( 3.808 0.009 2.256) 4.426 7.329 ( 0.521 6.260 6.385) 8.957 7.350 ( -0.357 2.194 -1.713) 2.807 7.399 ( -1.657 1.460 -8.780) 9.053 7.617 ( -1.750 4.893 0.656) 5.238 7.964 ( 2.261 3.640 -2.764) 5.099 8.187 ( 0.100 6.644 2.225) 7.007 8.327 ( 1.563 -7.071 -0.637) 7.270 8.439 ( 0.415 -10.407 2.055) 10.616 8.516 ( -0.581 2.934 -0.993) 3.152 8.893 ( 1.393 -10.334 2.567) 10.739 8.998 ( -5.014 -6.605 -1.055) 8.359 9.480 ( -0.993 -3.544 1.017) 3.819 9.649 ( 6.213 -0.407 -2.081) 6.565 9.734 ( -2.365 -2.557 -0.299) 3.496 10.707 ( 7.563 -5.544 -0.682) 9.403 10.913 ( -5.789 -0.624 0.931) 5.897 11.781 ( 12.084 2.151 -0.586) 12.288 11.916 ( -2.185 -2.232 -1.390) 3.419 11.997 ( -11.041 -5.805 2.550) 12.732 12.263 ( 1.729 -5.181 -0.719) 5.509 12.992 ( -2.561 7.511 -0.273) 7.940 13.691 ( 2.752 1.912 0.503) 3.388 13.934 ( 0.713 1.807 -0.508) 2.008 14.133 ( 2.668 -7.498 1.062) 8.029 14.203 ( 0.571 -0.138 1.232) 1.365 14.669 ( -9.261 0.843 -2.359) 9.594 15.084 ( 0.096 0.449 -0.152) 0.484 15.231 ( -0.305 5.639 -0.256) 5.654 15.391 ( 0.322 -0.779 -0.898) 1.231 15.702 ( -0.239 1.828 0.697) 1.971 15.765 ( 0.313 1.629 0.004) 1.659 16.038 ( 1.128 -5.435 0.821) 5.611 16.765 ( 5.272 4.617 2.161) 7.334 16.887 ( -4.763 -3.609 -2.147) 6.350 24.363 ( 1.525 -0.108 -0.150) 1.537 24.429 ( -2.051 -0.963 0.147) 2.271 24.551 ( 0.497 0.942 -0.321) 1.112 24.639 ( 0.488 -0.459 0.372) 0.766 25.796 ( -0.322 2.831 -0.031) 2.850 25.911 ( -0.934 -1.558 0.428) 1.866 26.160 ( 0.251 -1.289 0.402) 1.373 26.235 ( -1.756 0.621 -0.882) 2.061 26.614 ( 0.053 -1.688 0.247) 1.707 26.726 ( 0.210 -1.853 -0.110) 1.868 27.769 ( -0.062 7.985 0.616) 8.009 28.427 ( 2.903 -2.460 -1.728) 4.179 28.697 ( 1.817 5.316 -2.689) 6.228 28.820 ( -1.203 -3.363 0.042) 3.572 28.971 ( -1.698 8.124 3.996) 9.211 29.864 ( 3.280 -15.487 -0.300) 15.834 ======================= Grid point 17 (13/140) ======================= q-point: (-0.11 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.035 ( 0.000 27.279 -0.000) 27.279 1.110 ( 0.000 29.407 -0.000) 29.407 1.684 ( -0.000 -2.044 0.000) 2.044 1.711 ( 0.000 1.977 -0.000) 1.977 1.919 ( 0.000 39.508 -0.000) 39.508 2.329 ( -0.000 -1.686 0.000) 1.686 2.607 ( 0.000 7.275 -0.000) 7.275 2.691 ( -0.000 -6.895 0.000) 6.895 2.973 ( -0.000 -3.173 0.000) 3.173 3.072 ( 0.000 3.754 -0.000) 3.754 3.226 ( 0.000 1.595 -0.000) 1.595 3.495 ( 0.000 8.165 -0.000) 8.165 3.535 ( -0.000 -8.290 0.000) 8.290 3.740 ( 0.000 7.156 -0.000) 7.156 3.890 ( -0.000 -6.649 0.000) 6.649 4.037 ( 0.000 0.897 -0.000) 0.897 4.094 ( -0.000 -3.672 0.000) 3.672 4.376 ( 0.000 1.040 -0.000) 1.040 4.748 ( 0.000 6.625 -0.000) 6.625 5.027 ( -0.000 -2.497 0.000) 2.497 5.222 ( 0.000 4.769 -0.000) 4.769 5.337 ( 0.000 7.402 -0.000) 7.402 5.599 ( 0.000 4.248 -0.000) 4.248 5.669 ( -0.000 -0.940 0.000) 0.940 5.710 ( 0.000 0.112 -0.000) 0.112 5.949 ( -0.000 -9.400 0.000) 9.400 6.134 ( -0.000 -1.796 0.000) 1.796 6.300 ( -0.000 -7.716 0.000) 7.716 6.403 ( 0.000 2.824 -0.000) 2.824 6.515 ( 0.000 7.796 -0.000) 7.796 6.694 ( -0.000 -7.268 0.000) 7.268 6.751 ( 0.000 3.227 -0.000) 3.227 6.840 ( -0.000 -1.812 0.000) 1.812 7.169 ( 0.000 9.925 -0.000) 9.925 7.196 ( 0.000 0.726 -0.000) 0.726 7.286 ( 0.000 0.739 -0.000) 0.739 7.421 ( 0.000 0.687 -0.000) 0.687 7.560 ( 0.000 0.681 -0.000) 0.681 7.904 ( 0.000 4.361 -0.000) 4.361 8.044 ( 0.000 6.902 -0.000) 6.902 8.402 ( 0.000 0.566 -0.000) 0.566 8.518 ( -0.000 -4.397 0.000) 4.397 8.596 ( -0.000 -6.203 0.000) 6.203 9.100 ( -0.000 -11.514 0.000) 11.514 9.111 ( -0.000 -8.032 0.000) 8.032 9.552 ( -0.000 -4.327 0.000) 4.327 9.698 ( -0.000 -1.014 0.000) 1.014 9.714 ( 0.000 1.976 -0.000) 1.976 10.861 ( -0.000 -6.874 0.000) 6.874 10.884 ( -0.000 -0.107 0.000) 0.107 11.686 ( 0.000 9.700 -0.000) 9.700 11.983 ( -0.000 -4.870 0.000) 4.870 12.160 ( -0.000 -14.081 0.000) 14.081 12.361 ( -0.000 -5.019 0.000) 5.019 12.845 ( 0.000 8.051 -0.000) 8.051 13.664 ( 0.000 2.402 -0.000) 2.402 13.877 ( 0.000 3.206 -0.000) 3.206 14.188 ( 0.000 0.239 -0.000) 0.239 14.380 ( -0.000 -14.558 0.000) 14.558 14.603 ( 0.000 0.699 -0.000) 0.699 15.045 ( 0.000 4.387 -0.000) 4.387 15.172 ( 0.000 0.396 -0.000) 0.396 15.374 ( 0.000 3.207 -0.000) 3.207 15.666 ( 0.000 2.114 -0.000) 2.114 15.729 ( 0.000 2.332 -0.000) 2.332 16.129 ( -0.000 -4.343 0.000) 4.343 16.694 ( 0.000 5.091 -0.000) 5.091 16.935 ( -0.000 -3.274 0.000) 3.274 24.375 ( -0.000 -0.608 0.000) 0.608 24.443 ( -0.000 -1.385 0.000) 1.385 24.528 ( 0.000 1.704 -0.000) 1.704 24.646 ( 0.000 0.060 -0.000) 0.060 25.744 ( 0.000 2.622 -0.000) 2.622 25.942 ( -0.000 -2.205 0.000) 2.205 26.181 ( -0.000 -0.810 0.000) 0.810 26.215 ( 0.000 0.418 -0.000) 0.418 26.657 ( -0.000 -3.311 0.000) 3.311 26.762 ( -0.000 -2.079 0.000) 2.079 27.610 ( 0.000 9.915 -0.000) 9.915 28.474 ( -0.000 -1.288 0.000) 1.288 28.625 ( 0.000 3.644 -0.000) 3.644 28.834 ( 0.000 5.931 -0.000) 5.931 28.871 ( -0.000 -2.042 0.000) 2.042 30.134 ( -0.000 -13.181 0.000) 13.181 ======================= Grid point 20 (14/140) ======================= q-point: ( 0.22 0.22 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.943 ( 27.530 0.000 5.543) 28.083 0.967 ( 26.954 0.000 8.915) 28.390 1.620 ( 46.375 0.000 -7.429) 46.967 1.655 ( -3.630 -0.000 -2.796) 4.583 1.673 ( 1.998 0.000 -1.473) 2.482 2.357 ( -1.203 -0.000 2.189) 2.497 2.377 ( -8.293 -0.000 6.719) 10.673 2.791 ( -7.524 -0.000 -5.214) 9.154 3.006 ( -7.707 -0.000 0.313) 7.713 3.007 ( 7.143 0.000 9.240) 11.679 3.112 ( -12.896 -0.000 7.478) 14.907 3.367 ( 3.662 0.000 -0.467) 3.692 3.549 ( -0.017 -0.000 2.017) 2.017 3.801 ( 6.539 0.000 -13.296) 14.817 3.849 ( -7.972 -0.000 5.883) 9.907 3.960 ( 0.065 0.000 -6.601) 6.601 4.165 ( -1.867 -0.000 -0.096) 1.869 4.317 ( -0.093 -0.000 1.196) 1.200 4.843 ( 5.396 0.000 2.583) 5.983 4.845 ( -11.231 -0.000 2.158) 11.437 5.022 ( 3.743 0.000 -0.689) 3.806 5.336 ( -3.385 -0.000 -4.605) 5.715 5.505 ( -4.172 -0.000 7.844) 8.884 5.777 ( -6.551 -0.000 6.013) 8.892 5.794 ( 3.781 0.000 1.806) 4.190 5.994 ( -8.838 -0.000 -5.673) 10.502 6.151 ( 1.046 0.000 -2.805) 2.994 6.240 ( 6.782 0.000 0.211) 6.785 6.639 ( 2.465 0.000 -2.828) 3.752 6.692 ( 1.617 0.000 0.725) 1.772 6.748 ( 7.941 0.000 0.104) 7.942 6.956 ( 2.626 0.000 0.461) 2.666 7.023 ( 6.879 0.000 1.140) 6.973 7.157 ( -0.580 -0.000 -8.043) 8.064 7.303 ( 2.160 0.000 -0.661) 2.259 7.366 ( 5.897 0.000 4.470) 7.400 7.373 ( 2.021 0.000 2.108) 2.920 7.582 ( -5.194 -0.000 -0.706) 5.241 7.658 ( 6.116 0.000 -0.135) 6.118 8.002 ( 2.493 0.000 -15.082) 15.286 8.419 ( 0.717 0.000 -0.727) 1.021 8.470 ( -3.999 -0.000 1.294) 4.203 8.828 ( -7.893 -0.000 3.266) 8.542 8.886 ( -0.345 -0.000 -3.062) 3.082 9.160 ( -3.227 -0.000 3.820) 5.001 9.285 ( -14.676 -0.000 5.984) 15.849 9.595 ( -0.632 -0.000 1.252) 1.402 9.903 ( 3.978 0.000 -1.708) 4.329 10.597 ( -9.345 -0.000 2.775) 9.748 11.122 ( 4.135 0.000 -2.165) 4.668 11.327 ( -6.472 -0.000 -0.336) 6.480 12.135 ( 1.063 0.000 -1.325) 1.699 12.445 ( -1.140 -0.000 1.792) 2.124 12.656 ( 8.910 0.000 -5.341) 10.388 12.843 ( 7.612 0.000 1.470) 7.753 13.203 ( -0.260 -0.000 5.986) 5.991 14.030 ( 6.768 0.000 -6.094) 9.107 14.151 ( 1.131 0.000 1.669) 2.016 14.536 ( -1.453 -0.000 -6.337) 6.501 15.016 ( -8.926 -0.000 9.881) 13.316 15.056 ( 3.308 0.000 -3.097) 4.531 15.230 ( -1.065 -0.000 10.000) 10.057 15.495 ( 2.250 0.000 26.391) 26.487 15.654 ( 0.921 0.000 -10.856) 10.895 15.720 ( 4.711 0.000 -17.617) 18.236 16.151 ( -3.207 -0.000 -3.910) 5.057 16.374 ( -7.753 -0.000 -1.705) 7.938 17.092 ( 3.989 0.000 0.670) 4.045 24.392 ( -2.259 -0.000 -1.030) 2.482 24.400 ( -0.168 -0.000 1.383) 1.393 24.567 ( 1.671 0.000 1.282) 2.107 24.577 ( -1.498 -0.000 -1.441) 2.079 25.744 ( 3.838 0.000 0.122) 3.840 26.127 ( -3.150 -0.000 -3.311) 4.570 26.188 ( -1.096 -0.000 0.282) 1.132 26.639 ( 2.465 0.000 -10.846) 11.123 26.779 ( -1.488 -0.000 0.883) 1.731 26.971 ( 2.862 0.000 2.171) 3.592 27.353 ( -0.767 -0.000 -0.427) 0.878 27.606 ( -2.201 -0.000 22.328) 22.436 28.504 ( 0.888 0.000 0.340) 0.951 28.705 ( 0.269 0.000 -9.953) 9.956 29.001 ( 5.252 0.000 -0.699) 5.298 30.023 ( -10.651 -0.000 1.425) 10.746 ======================= Grid point 21 (15/140) ======================= q-point: ( 0.33 0.22 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 244 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.171 ( 21.671 -6.530 8.753) 24.267 1.337 ( 22.006 -12.791 -0.426) 25.457 1.617 ( -1.595 0.325 -3.630) 3.978 1.688 ( 0.668 -2.076 0.038) 2.181 2.186 ( 18.749 -13.225 -5.136) 23.512 2.300 ( -5.156 2.331 2.029) 6.011 2.375 ( 14.824 -8.940 3.837) 17.731 2.665 ( -8.452 4.658 -2.211) 9.901 2.899 ( -11.839 1.811 3.275) 12.417 3.067 ( -10.038 -5.636 0.621) 11.529 3.107 ( 6.955 -0.640 13.193) 14.927 3.405 ( 4.383 -0.600 -0.040) 4.424 3.546 ( -0.344 0.746 1.314) 1.549 3.744 ( -4.850 4.473 2.911) 7.211 3.848 ( 4.252 -1.525 -15.058) 15.721 3.998 ( 1.805 -2.857 0.124) 3.382 4.168 ( -2.819 -2.211 -0.025) 3.583 4.351 ( -1.477 -4.459 0.228) 4.703 4.736 ( -8.437 0.431 2.434) 8.792 4.880 ( 2.722 0.598 -0.643) 2.861 5.104 ( 2.330 -4.968 -0.663) 5.528 5.302 ( -3.514 -1.137 -2.110) 4.253 5.518 ( -2.762 -3.447 3.137) 5.418 5.710 ( -8.289 1.926 4.862) 9.800 5.819 ( 4.090 1.643 2.008) 4.844 5.892 ( -8.303 2.289 -3.640) 9.350 6.138 ( 5.440 2.930 -1.229) 6.300 6.357 ( 5.607 -5.716 -3.512) 8.744 6.520 ( 2.856 11.948 -1.435) 12.368 6.683 ( 1.865 2.577 0.729) 3.264 6.804 ( 4.604 0.286 0.908) 4.702 6.922 ( 6.639 8.017 3.893) 11.113 7.005 ( -2.396 1.963 -2.405) 3.921 7.207 ( 9.737 3.469 -6.612) 12.270 7.257 ( 0.730 -2.085 -5.647) 6.064 7.392 ( -0.822 0.254 0.338) 0.925 7.448 ( 6.799 -2.671 7.700) 10.614 7.561 ( -4.240 -4.239 0.625) 6.028 7.748 ( 6.555 -2.545 6.770) 9.761 8.056 ( 0.985 -3.847 -12.961) 13.556 8.372 ( -5.609 2.095 -0.577) 6.015 8.486 ( 3.263 -1.145 1.201) 3.661 8.616 ( -7.813 9.658 -2.196) 12.615 9.035 ( -4.883 -7.649 -5.118) 10.419 9.122 ( -5.924 0.218 7.936) 9.906 9.239 ( -7.895 -5.502 3.753) 10.329 9.583 ( -1.797 0.311 -0.754) 1.973 9.897 ( 2.127 3.283 0.056) 3.912 10.535 ( -7.500 0.253 3.525) 8.291 11.108 ( 0.707 3.904 -2.612) 4.750 11.295 ( -3.881 -2.170 0.242) 4.453 12.116 ( 1.661 2.687 -2.337) 3.929 12.390 ( -1.320 4.913 1.917) 5.436 12.689 ( 8.178 7.375 -1.120) 11.069 12.902 ( 6.827 -4.300 -1.993) 8.311 13.297 ( -1.588 -8.436 6.096) 10.529 13.984 ( 1.978 7.163 -2.371) 7.800 14.182 ( 0.955 -1.163 -3.142) 3.483 14.495 ( 5.466 5.451 -3.810) 8.609 14.958 ( -4.896 -0.707 5.351) 7.287 15.098 ( -0.042 -1.757 -0.012) 1.758 15.211 ( -1.847 1.554 7.602) 7.977 15.532 ( 5.427 1.171 14.078) 15.134 15.658 ( 1.083 -0.935 -7.866) 7.995 15.718 ( 3.155 1.374 -5.588) 6.563 16.090 ( -4.026 2.959 -4.576) 6.775 16.355 ( -6.977 -4.338 -1.792) 8.409 17.116 ( 3.438 0.748 0.768) 3.601 24.357 ( -0.782 1.198 -0.130) 1.437 24.427 ( -1.096 -2.028 0.780) 2.433 24.549 ( -0.237 1.258 -0.684) 1.451 24.588 ( -0.167 -0.704 0.046) 0.726 25.793 ( 4.058 -1.639 0.502) 4.405 26.052 ( -2.273 4.572 -2.379) 5.633 26.169 ( -1.031 0.921 -0.916) 1.659 26.596 ( 5.663 5.583 -5.813) 9.850 26.691 ( -1.049 3.205 2.352) 4.111 26.972 ( 5.955 11.073 4.134) 13.234 27.326 ( -4.011 -10.651 -1.751) 11.516 27.874 ( -7.783 -17.742 11.089) 22.323 28.529 ( 0.674 -1.998 0.777) 2.247 28.735 ( 0.019 -4.493 -7.236) 8.517 29.035 ( 6.201 1.408 -1.017) 6.440 29.903 ( -12.135 3.914 1.410) 12.829 ======================= Grid point 22 (16/140) ======================= q-point: ( 0.44 0.22 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 244 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.455 ( 6.967 -7.173 4.151) 10.826 1.616 ( 5.567 -4.904 0.551) 7.439 1.643 ( 2.158 -4.099 -3.381) 5.735 1.848 ( 16.650 -11.002 -1.825) 20.040 2.151 ( -0.812 5.270 -1.356) 5.502 2.232 ( -10.000 -1.710 1.780) 10.300 2.530 ( -9.224 -0.177 2.875) 9.664 2.764 ( -8.413 -2.312 2.014) 8.954 2.985 ( 5.946 -2.792 -0.999) 6.644 3.093 ( 3.576 -13.404 -0.531) 13.883 3.199 ( 11.519 -2.196 11.431) 16.376 3.452 ( 3.439 -1.290 -1.563) 3.992 3.507 ( 0.189 2.988 -0.031) 2.994 3.706 ( 1.276 -3.337 1.810) 4.005 3.847 ( -0.831 2.001 -10.939) 11.151 4.039 ( -0.130 0.437 3.448) 3.478 4.233 ( 2.660 -7.003 -0.937) 7.550 4.457 ( -1.183 -9.484 0.137) 9.559 4.726 ( -9.316 -6.833 0.970) 11.594 4.872 ( 8.134 4.581 -1.166) 9.408 5.207 ( 0.070 -5.195 -2.464) 5.751 5.333 ( -5.613 -5.698 -1.652) 8.167 5.529 ( -8.721 1.153 0.642) 8.820 5.615 ( -4.045 0.054 5.251) 6.629 5.779 ( -2.707 3.248 -1.804) 4.597 5.813 ( 0.813 3.073 2.076) 3.796 6.132 ( 9.398 4.631 -2.614) 10.798 6.332 ( 2.377 10.670 -0.458) 10.942 6.504 ( 1.652 -7.981 -3.980) 9.070 6.627 ( 0.916 4.927 -1.155) 5.143 6.810 ( 0.343 1.876 1.476) 2.412 6.871 ( 5.147 3.169 1.851) 6.321 6.930 ( -2.202 3.065 3.521) 5.161 7.207 ( 6.503 2.548 -4.709) 8.424 7.318 ( -2.851 2.597 -2.011) 4.349 7.324 ( 1.420 -2.195 -4.095) 4.859 7.595 ( 4.173 -6.148 2.718) 7.912 7.644 ( 4.281 -3.519 5.042) 7.492 7.849 ( 3.644 -2.839 7.536) 8.839 8.100 ( 0.680 -2.492 -6.933) 7.398 8.290 ( -2.699 3.274 -0.376) 4.260 8.378 ( -8.591 8.721 -4.494) 13.041 8.536 ( 2.644 -1.340 1.154) 3.181 8.975 ( -10.696 2.591 1.193) 11.070 9.134 ( -1.746 -0.812 -0.668) 2.039 9.330 ( 0.110 -6.567 1.662) 6.775 9.553 ( -1.627 1.248 -2.947) 3.590 9.830 ( -0.185 5.136 2.065) 5.539 10.479 ( -3.489 1.147 3.937) 5.384 11.024 ( -3.532 3.086 -2.387) 5.263 11.330 ( -2.080 -3.801 0.259) 4.341 12.076 ( 2.196 3.000 -2.430) 4.441 12.272 ( -1.633 7.250 2.034) 7.705 12.564 ( 6.140 11.494 0.115) 13.032 13.072 ( 5.509 -8.127 -2.805) 10.211 13.444 ( -1.113 -8.536 6.307) 10.671 13.836 ( -3.344 8.501 -2.480) 9.466 14.184 ( 1.484 1.019 -4.094) 4.473 14.455 ( 9.923 5.574 -0.505) 11.392 14.949 ( -4.175 -0.112 -0.480) 4.204 15.086 ( -3.535 0.782 5.355) 6.464 15.211 ( 1.036 -1.521 1.766) 2.550 15.568 ( 7.387 2.357 7.327) 10.668 15.684 ( 0.961 -1.823 -4.921) 5.335 15.722 ( 0.552 -0.475 0.590) 0.937 15.984 ( -4.466 4.409 -4.481) 7.711 16.401 ( -5.358 -6.740 -1.562) 8.751 17.118 ( 2.753 2.127 0.816) 3.574 24.340 ( 0.281 0.443 0.037) 0.526 24.445 ( -2.231 -1.253 0.569) 2.621 24.533 ( 0.987 0.541 -0.593) 1.272 24.594 ( -0.927 -0.591 -0.108) 1.105 25.855 ( 3.518 -1.603 0.829) 3.954 25.962 ( -0.770 3.766 -1.321) 4.065 26.140 ( -1.410 1.032 -1.559) 2.342 26.550 ( 5.601 4.976 -0.232) 7.496 26.644 ( -0.273 2.647 -0.338) 2.682 26.797 ( 1.331 9.759 1.977) 10.046 27.545 ( -1.651 -14.579 -1.852) 14.789 28.062 ( -6.839 -10.491 6.672) 14.190 28.578 ( -0.069 -3.037 0.961) 3.187 28.842 ( 0.416 -7.942 -4.165) 8.978 29.048 ( 6.464 2.491 -2.008) 7.213 29.707 ( -11.174 7.585 1.485) 13.587 ======================= Grid point 23 (17/140) ======================= q-point: ( 0.56 0.22 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 244 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.506 ( -2.382 -0.273 -0.228) 2.408 1.665 ( 2.284 -0.727 1.127) 2.649 1.801 ( 2.295 -5.381 -1.056) 5.945 2.029 ( 4.583 0.758 -3.595) 5.873 2.153 ( 2.421 -3.226 -0.467) 4.060 2.356 ( 6.076 -14.599 2.906) 16.077 2.522 ( -7.429 -5.987 2.752) 9.930 2.731 ( -9.858 -2.396 1.415) 10.243 2.851 ( -11.411 3.905 1.069) 12.108 3.199 ( 6.556 2.627 7.040) 9.973 3.340 ( 7.505 4.836 -5.397) 10.433 3.407 ( 1.629 2.384 0.415) 2.917 3.633 ( 9.122 -1.649 -6.065) 11.078 3.721 ( -3.172 2.685 2.106) 4.659 3.879 ( -0.951 -7.531 1.504) 7.738 4.017 ( -0.941 1.487 -0.709) 1.897 4.460 ( 9.014 -12.881 1.541) 15.797 4.664 ( 5.216 -11.376 -1.883) 12.655 4.777 ( -5.411 -4.820 -2.001) 7.518 4.911 ( 6.154 -4.824 2.057) 8.086 5.225 ( -7.301 1.238 0.360) 7.414 5.308 ( -10.894 2.415 -3.832) 11.798 5.462 ( -0.497 -2.769 1.670) 3.271 5.635 ( -2.078 -2.654 3.310) 4.724 5.722 ( -0.145 2.134 -1.389) 2.551 5.762 ( 0.502 2.672 1.192) 2.968 6.100 ( 5.031 6.255 -0.723) 8.060 6.196 ( 3.532 7.204 -1.490) 8.160 6.545 ( -0.359 4.019 -2.600) 4.800 6.654 ( 0.349 -8.389 -3.535) 9.110 6.731 ( -6.154 3.688 2.032) 7.457 6.841 ( -0.184 2.709 0.628) 2.787 6.943 ( 4.815 -0.767 4.837) 6.868 7.166 ( -6.202 2.616 -3.175) 7.442 7.256 ( 7.954 2.358 3.303) 8.930 7.423 ( 2.748 -5.187 -8.015) 9.935 7.658 ( -2.263 0.537 2.915) 3.729 7.759 ( 6.284 -4.209 4.658) 8.882 7.890 ( 1.120 1.451 2.213) 2.873 8.132 ( -6.634 5.178 -1.213) 8.503 8.187 ( 1.390 -3.324 -0.727) 3.676 8.273 ( 4.647 1.612 -2.350) 5.451 8.570 ( 0.486 -0.782 1.575) 1.825 8.836 ( -12.040 2.426 0.236) 12.285 9.091 ( 1.882 5.484 -2.108) 6.169 9.439 ( 1.625 -4.786 -0.733) 5.107 9.516 ( -1.350 1.030 -1.628) 2.352 9.730 ( -1.296 5.475 2.089) 6.001 10.470 ( 1.622 -0.961 3.029) 3.567 10.954 ( -4.952 0.747 -1.845) 5.337 11.390 ( -2.003 -5.171 0.367) 5.558 12.052 ( 2.319 1.531 -1.536) 3.175 12.131 ( -1.839 6.998 1.442) 7.378 12.415 ( 4.060 10.183 -0.071) 10.963 13.227 ( 3.229 -4.576 -1.713) 5.856 13.580 ( -0.037 -5.826 6.086) 8.425 13.675 ( -3.973 3.534 -3.571) 6.405 14.170 ( 1.349 1.680 -2.247) 3.113 14.439 ( 9.420 5.863 0.189) 11.097 14.861 ( -8.355 3.244 -1.195) 9.042 15.078 ( -0.926 -0.852 2.180) 2.517 15.255 ( 1.973 -1.659 0.856) 2.716 15.574 ( 5.471 4.252 3.965) 7.983 15.720 ( 0.375 -1.764 0.570) 1.891 15.740 ( -0.139 -1.318 -1.387) 1.918 15.878 ( -3.144 2.672 -3.031) 5.120 16.495 ( -3.335 -8.034 -1.023) 8.758 17.084 ( 1.837 4.018 0.589) 4.457 24.345 ( 1.373 -0.101 0.088) 1.379 24.435 ( -3.073 -0.181 0.044) 3.078 24.545 ( 1.875 -0.309 -0.090) 1.902 24.596 ( -1.301 -0.854 -0.122) 1.561 25.888 ( 2.310 1.380 0.249) 2.702 25.916 ( -0.540 0.375 -0.219) 0.693 26.114 ( -1.216 0.306 -1.122) 1.683 26.472 ( 4.050 8.875 1.656) 9.895 26.597 ( -0.413 1.304 -1.304) 1.890 26.706 ( -0.437 1.914 0.513) 2.029 27.758 ( -0.154 -10.176 -1.245) 10.253 28.175 ( -3.659 -7.253 3.299) 8.768 28.633 ( -0.612 -3.473 0.589) 3.576 28.948 ( 2.076 -0.100 0.171) 2.085 29.098 ( 4.563 -6.657 -4.311) 9.150 29.485 ( -8.253 8.704 1.877) 12.140 ======================= Grid point 24 (18/140) ======================= q-point: (-0.33 0.22 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 244 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.486 ( -1.665 -0.116 -0.492) 1.740 1.705 ( 2.118 -0.566 0.516) 2.252 1.864 ( 0.895 -3.726 0.220) 3.838 2.074 ( 4.457 -1.836 -0.981) 4.920 2.167 ( -5.444 1.731 -0.285) 5.720 2.413 ( -1.497 13.412 -0.568) 13.507 2.614 ( -2.493 -6.825 0.923) 7.325 2.817 ( 0.527 -13.551 -1.012) 13.599 2.853 ( -4.640 -10.654 5.187) 12.726 3.184 ( 4.162 4.230 1.903) 6.232 3.274 ( 3.288 4.379 -2.497) 6.018 3.396 ( 0.010 2.646 -1.177) 2.896 3.559 ( 3.969 4.405 -6.584) 8.861 3.717 ( -1.925 4.097 6.140) 7.628 3.944 ( -0.064 -0.615 -0.996) 1.173 3.977 ( -3.572 -1.435 0.409) 3.872 4.593 ( -0.012 2.460 0.676) 2.551 4.840 ( 10.127 3.487 -6.863) 12.720 4.884 ( 6.325 -3.175 3.837) 8.050 5.024 ( -4.421 7.186 1.220) 8.525 5.179 ( -7.875 -18.236 1.282) 19.905 5.228 ( -3.527 -4.739 -0.569) 5.935 5.537 ( 3.894 -2.426 0.059) 4.588 5.650 ( -0.387 3.824 1.254) 4.043 5.675 ( -3.752 -3.348 -0.097) 5.030 5.795 ( 3.594 -4.046 -0.226) 5.417 6.005 ( -2.817 3.964 0.965) 4.958 6.112 ( 4.524 7.153 -1.767) 8.646 6.488 ( -0.790 1.546 -1.798) 2.500 6.613 ( -5.822 3.923 1.144) 7.113 6.773 ( -0.444 -4.561 -0.692) 4.634 6.797 ( -0.759 1.247 -0.395) 1.513 6.939 ( 0.381 4.690 1.760) 5.024 7.149 ( 1.124 -3.772 1.914) 4.377 7.273 ( 3.474 2.414 -1.089) 4.368 7.514 ( 5.463 0.457 -8.568) 10.172 7.595 ( -4.954 1.127 6.415) 8.183 7.833 ( -1.261 4.802 0.319) 4.975 7.894 ( 5.036 -5.512 -0.110) 7.467 8.006 ( -6.257 -0.155 1.384) 6.410 8.221 ( 0.458 0.506 -1.783) 1.909 8.386 ( 11.987 -3.634 2.571) 12.787 8.559 ( -5.015 0.659 -0.230) 5.064 8.733 ( -7.239 -0.693 0.155) 7.274 8.980 ( 0.610 7.405 -1.035) 7.502 9.464 ( -0.410 1.843 -2.033) 2.774 9.553 ( 0.667 -5.560 0.910) 5.674 9.655 ( -0.231 1.851 0.278) 1.886 10.539 ( 3.586 -3.689 1.416) 5.336 10.913 ( -3.624 0.048 -0.969) 3.751 11.491 ( -1.037 -8.227 0.292) 8.297 11.997 ( -0.306 5.528 0.939) 5.615 12.073 ( 0.310 -0.659 -1.084) 1.306 12.273 ( 1.723 8.488 0.101) 8.661 13.228 ( -0.642 4.920 -0.422) 4.980 13.626 ( 0.632 -3.453 -0.967) 3.641 13.738 ( -0.196 -7.840 2.035) 8.102 14.134 ( 0.204 3.134 -0.711) 3.220 14.383 ( 5.104 7.371 0.235) 8.969 14.743 ( -6.501 2.798 -1.065) 7.158 15.086 ( -0.125 -0.250 0.646) 0.704 15.304 ( 2.138 -2.179 -0.373) 3.075 15.492 ( 0.039 7.544 1.235) 7.645 15.737 ( -0.111 -0.010 0.606) 0.616 15.766 ( 0.251 -1.479 -0.610) 1.619 15.869 ( 0.123 -2.898 -0.434) 2.933 16.619 ( -1.195 -8.136 -0.354) 8.231 17.010 ( 0.706 5.638 0.177) 5.685 24.363 ( 2.411 -0.221 0.039) 2.421 24.410 ( -3.216 -0.047 -0.059) 3.217 24.562 ( 1.108 -0.103 -0.065) 1.115 24.607 ( -0.638 -1.257 0.068) 1.411 25.872 ( 1.909 1.683 -0.179) 2.551 25.904 ( -1.885 0.612 0.177) 1.990 26.114 ( -0.225 -0.992 -0.304) 1.061 26.349 ( 1.116 6.846 0.442) 6.950 26.587 ( -0.005 -0.113 -0.252) 0.276 26.691 ( -0.078 -0.038 0.105) 0.136 27.875 ( -0.018 -3.197 -0.230) 3.206 28.276 ( -0.674 -6.065 0.595) 6.131 28.691 ( -0.570 -3.664 0.203) 3.714 28.901 ( 1.728 5.613 -0.280) 5.880 29.261 ( 0.912 4.442 -1.878) 4.908 29.340 ( -2.424 -9.606 1.633) 10.041 ======================= Grid point 25 (19/140) ======================= q-point: (-0.22 0.22 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.496 ( -0.000 -1.598 0.000) 1.598 1.676 ( 0.000 5.259 -0.000) 5.259 1.955 ( 0.000 12.639 -0.000) 12.639 2.000 ( -0.000 -8.744 0.000) 8.744 2.088 ( 0.000 21.008 -0.000) 21.008 2.213 ( -0.000 -7.723 0.000) 7.723 2.715 ( -0.000 -4.693 0.000) 4.693 2.918 ( -0.000 -1.690 0.000) 1.690 3.026 ( 0.000 1.690 -0.000) 1.690 3.155 ( -0.000 -0.289 0.000) 0.289 3.263 ( -0.000 -2.506 0.000) 2.506 3.314 ( 0.000 3.769 -0.000) 3.769 3.602 ( 0.000 2.887 -0.000) 2.887 3.615 ( -0.000 -5.918 0.000) 5.918 3.898 ( 0.000 2.847 -0.000) 2.847 4.030 ( -0.000 -2.872 0.000) 2.872 4.491 ( 0.000 13.806 -0.000) 13.806 4.557 ( 0.000 17.557 -0.000) 17.557 4.934 ( -0.000 -1.385 0.000) 1.385 4.971 ( 0.000 2.614 -0.000) 2.614 5.326 ( -0.000 -7.025 0.000) 7.025 5.400 ( -0.000 -4.557 0.000) 4.557 5.524 ( 0.000 4.603 -0.000) 4.603 5.663 ( -0.000 -3.736 0.000) 3.736 5.741 ( -0.000 -6.806 0.000) 6.806 5.878 ( 0.000 1.573 -0.000) 1.573 5.978 ( -0.000 -3.270 0.000) 3.270 6.048 ( -0.000 -1.879 0.000) 1.879 6.466 ( 0.000 0.802 -0.000) 0.802 6.529 ( 0.000 2.076 -0.000) 2.076 6.785 ( -0.000 -0.578 0.000) 0.578 6.816 ( -0.000 -0.638 0.000) 0.638 6.835 ( 0.000 7.003 -0.000) 7.003 7.226 ( 0.000 3.086 -0.000) 3.086 7.259 ( -0.000 -6.499 0.000) 6.499 7.436 ( 0.000 6.259 -0.000) 6.259 7.535 ( 0.000 7.615 -0.000) 7.615 7.714 ( 0.000 6.834 -0.000) 6.834 7.997 ( -0.000 -1.595 0.000) 1.595 8.114 ( -0.000 -13.097 0.000) 13.097 8.232 ( -0.000 -3.092 0.000) 3.092 8.416 ( 0.000 6.216 -0.000) 6.216 8.542 ( -0.000 -1.129 0.000) 1.129 8.768 ( -0.000 -5.796 0.000) 5.796 8.895 ( 0.000 0.136 -0.000) 0.136 9.441 ( -0.000 -0.247 0.000) 0.247 9.654 ( -0.000 -1.170 0.000) 1.170 9.656 ( -0.000 -5.075 0.000) 5.075 10.638 ( -0.000 -5.409 0.000) 5.409 10.892 ( 0.000 0.440 -0.000) 0.440 11.665 ( -0.000 -11.831 0.000) 11.831 11.929 ( 0.000 1.838 -0.000) 1.838 12.030 ( 0.000 7.416 -0.000) 7.416 12.203 ( -0.000 -1.249 0.000) 1.249 13.110 ( 0.000 7.204 -0.000) 7.204 13.694 ( -0.000 -2.640 0.000) 2.640 13.886 ( -0.000 -8.160 0.000) 8.160 14.074 ( 0.000 2.548 -0.000) 2.548 14.282 ( 0.000 5.882 -0.000) 5.882 14.667 ( 0.000 2.628 -0.000) 2.628 15.087 ( 0.000 0.106 -0.000) 0.106 15.351 ( 0.000 7.794 -0.000) 7.794 15.359 ( -0.000 -2.646 0.000) 2.646 15.727 ( 0.000 1.052 -0.000) 1.052 15.781 ( -0.000 -0.003 0.000) 0.003 15.947 ( -0.000 -5.325 0.000) 5.325 16.750 ( -0.000 -7.213 0.000) 7.213 16.905 ( 0.000 6.482 -0.000) 6.482 24.377 ( 0.000 0.583 -0.000) 0.583 24.400 ( -0.000 -1.096 0.000) 1.096 24.564 ( 0.000 0.342 -0.000) 0.342 24.626 ( -0.000 -1.108 0.000) 1.108 25.846 ( 0.000 2.666 -0.000) 2.666 25.888 ( -0.000 -0.463 0.000) 0.463 26.136 ( -0.000 -1.476 0.000) 1.476 26.264 ( 0.000 3.372 -0.000) 3.372 26.595 ( -0.000 -0.730 0.000) 0.730 26.701 ( -0.000 -1.041 0.000) 1.041 27.871 ( 0.000 3.397 -0.000) 3.397 28.371 ( -0.000 -4.765 0.000) 4.765 28.753 ( -0.000 -3.689 0.000) 3.689 28.803 ( 0.000 6.096 -0.000) 6.096 29.113 ( 0.000 8.616 -0.000) 8.616 29.597 ( -0.000 -15.995 0.000) 15.995 ======================= Grid point 30 (20/140) ======================= q-point: ( 0.33 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.339 ( 16.840 0.000 5.868) 17.834 1.378 ( 21.746 0.000 7.005) 22.846 1.624 ( 4.388 0.000 -3.038) 5.337 1.657 ( -0.626 -0.000 0.338) 0.712 2.234 ( 16.519 0.000 -7.338) 18.075 2.256 ( -7.233 -0.000 2.961) 7.816 2.434 ( 19.155 0.000 1.279) 19.197 2.656 ( -3.692 -0.000 -8.229) 9.019 2.838 ( -20.078 -0.000 3.062) 20.310 2.885 ( -6.285 -0.000 5.002) 8.033 3.203 ( 10.944 0.000 15.186) 18.719 3.432 ( 3.806 0.000 0.098) 3.807 3.558 ( 0.515 0.000 1.558) 1.641 3.753 ( -5.180 -0.000 3.031) 6.002 3.838 ( 1.713 0.000 -16.469) 16.558 3.975 ( 2.515 0.000 -2.752) 3.728 4.077 ( -10.673 -0.000 1.545) 10.784 4.328 ( 1.862 0.000 0.274) 1.882 4.629 ( -14.165 -0.000 0.692) 14.182 4.893 ( -0.536 -0.000 2.378) 2.438 5.096 ( 5.261 0.000 0.107) 5.262 5.314 ( 2.707 0.000 -3.999) 4.829 5.453 ( -3.901 -0.000 2.470) 4.618 5.672 ( -8.023 -0.000 4.921) 9.412 5.837 ( -8.350 -0.000 -4.031) 9.272 5.869 ( 4.491 0.000 2.495) 5.137 6.166 ( 1.310 0.000 -1.392) 1.912 6.383 ( 9.803 0.000 -0.584) 9.821 6.656 ( 0.131 0.000 -1.663) 1.668 6.713 ( 0.771 0.000 0.353) 0.848 6.868 ( 7.418 0.000 -0.584) 7.441 7.001 ( 1.932 0.000 -1.899) 2.710 7.132 ( 5.344 0.000 2.935) 6.097 7.149 ( 2.209 0.000 -4.813) 5.295 7.335 ( 2.194 0.000 -2.517) 3.339 7.375 ( -1.871 -0.000 8.122) 8.334 7.470 ( 5.591 0.000 3.867) 6.798 7.485 ( -6.317 -0.000 -0.574) 6.343 7.802 ( 10.059 0.000 1.827) 10.223 7.987 ( 0.241 0.000 -18.809) 18.810 8.341 ( -5.873 -0.000 0.006) 5.873 8.505 ( 3.546 0.000 1.318) 3.783 8.706 ( -7.168 -0.000 1.363) 7.297 8.853 ( -1.999 -0.000 -4.300) 4.742 9.070 ( -13.504 -0.000 5.754) 14.679 9.143 ( -0.794 -0.000 4.778) 4.844 9.562 ( -3.128 -0.000 0.040) 3.128 9.946 ( 1.873 0.000 -0.483) 1.934 10.485 ( -5.458 -0.000 2.657) 6.071 11.170 ( 2.577 0.000 -1.926) 3.217 11.238 ( -4.439 -0.000 -0.252) 4.446 12.147 ( 0.936 0.000 -1.568) 1.826 12.431 ( -1.097 -0.000 1.677) 2.004 12.799 ( 10.251 0.000 -5.620) 11.690 12.956 ( 5.795 0.000 1.008) 5.882 13.194 ( -2.957 -0.000 7.235) 7.816 14.107 ( -5.320 -0.000 -1.554) 5.542 14.131 ( 7.013 0.000 -4.604) 8.389 14.608 ( 10.557 0.000 -3.810) 11.223 14.898 ( -7.929 -0.000 6.281) 10.115 15.079 ( -0.089 -0.000 -0.883) 0.888 15.208 ( -4.128 -0.000 7.378) 8.454 15.578 ( 2.328 0.000 11.657) 11.887 15.645 ( 0.118 0.000 -4.535) 4.537 15.771 ( 5.241 0.000 -5.075) 7.296 16.078 ( -4.639 -0.000 -5.305) 7.048 16.262 ( -5.502 -0.000 -1.289) 5.651 17.147 ( 2.635 0.000 0.385) 2.663 24.360 ( -1.414 -0.000 -0.728) 1.591 24.404 ( 0.278 0.000 1.571) 1.595 24.546 ( -1.736 -0.000 -1.639) 2.388 24.590 ( 0.904 0.000 0.820) 1.221 25.815 ( 4.701 0.000 1.117) 4.831 26.061 ( -4.077 -0.000 -3.756) 5.543 26.172 ( -0.971 -0.000 0.262) 1.006 26.653 ( 1.623 0.000 -5.497) 5.731 26.758 ( -1.281 -0.000 0.873) 1.550 27.022 ( 2.736 0.000 1.931) 3.349 27.338 ( -0.953 -0.000 -0.511) 1.082 27.622 ( -0.685 -0.000 10.631) 10.653 28.520 ( 0.957 0.000 0.399) 1.037 28.685 ( -0.537 -0.000 -4.837) 4.867 29.099 ( 7.029 0.000 -0.880) 7.083 29.843 ( -11.745 -0.000 1.484) 11.839 ======================= Grid point 31 (21/140) ======================= q-point: ( 0.44 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 244 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.439 ( 4.613 -2.263 3.879) 6.438 1.592 ( 12.244 -5.027 2.446) 13.460 1.627 ( 3.319 0.678 0.075) 3.389 1.795 ( 14.046 -8.565 -0.280) 16.454 2.168 ( -5.533 2.991 -0.828) 6.344 2.255 ( 0.879 4.663 -1.109) 4.873 2.488 ( -8.987 2.571 -0.952) 9.396 2.651 ( -15.926 0.319 1.744) 16.024 2.845 ( -0.394 -12.453 -3.848) 13.039 2.993 ( 25.692 -9.554 2.231) 27.501 3.301 ( 10.075 0.388 15.222) 18.258 3.460 ( 2.637 -0.235 -2.429) 3.593 3.547 ( -0.085 1.727 -0.759) 1.888 3.700 ( -1.810 1.327 1.507) 2.703 3.834 ( -1.111 -0.757 -13.082) 13.151 4.016 ( -3.084 -3.453 1.346) 4.821 4.058 ( -10.391 -7.891 1.996) 13.199 4.358 ( 2.623 -1.865 0.237) 3.228 4.538 ( -11.329 -2.425 -0.947) 11.624 4.945 ( 1.464 -4.767 1.685) 5.263 5.163 ( 6.017 -2.223 -1.701) 6.637 5.276 ( 0.957 3.792 -1.050) 4.049 5.459 ( -5.461 -1.569 -0.218) 5.686 5.593 ( -6.520 1.220 4.073) 7.783 5.766 ( -5.717 0.880 -2.212) 6.193 5.889 ( 3.303 2.055 1.744) 4.263 6.214 ( 3.698 -2.765 -0.921) 4.708 6.446 ( 5.811 0.484 -1.390) 5.994 6.547 ( 0.591 9.795 -1.450) 9.919 6.701 ( 0.465 2.460 0.399) 2.535 6.874 ( 3.375 4.540 -0.988) 5.743 6.970 ( -0.418 2.796 1.838) 3.372 7.040 ( 6.490 8.333 2.185) 10.785 7.259 ( 0.664 -4.023 -3.863) 5.617 7.300 ( -1.875 5.294 -4.799) 7.387 7.344 ( 0.298 0.703 1.838) 1.990 7.493 ( -1.588 -5.679 0.227) 5.901 7.604 ( 7.525 -7.538 8.851) 13.849 7.875 ( 6.155 0.202 3.695) 7.182 8.020 ( -1.691 -4.954 -14.619) 15.528 8.298 ( -3.057 0.371 -0.055) 3.080 8.491 ( -5.910 11.729 0.413) 13.141 8.542 ( 2.790 -0.614 -0.268) 2.870 8.934 ( -7.515 0.542 -1.946) 7.782 9.008 ( -5.740 -8.047 4.207) 10.743 9.211 ( 0.233 -7.006 2.287) 7.374 9.540 ( -2.701 -0.130 -0.772) 2.812 9.920 ( 0.816 4.050 0.207) 4.137 10.458 ( -3.185 -0.523 2.490) 4.077 11.089 ( -1.631 6.575 -1.388) 6.915 11.269 ( -0.180 -3.170 -0.298) 3.189 12.133 ( 0.957 2.118 -1.477) 2.754 12.377 ( -0.812 5.100 1.284) 5.321 12.803 ( 6.056 9.917 -1.077) 11.669 12.986 ( 3.952 -4.525 -2.126) 6.373 13.290 ( -1.262 -9.168 5.887) 10.968 13.970 ( -2.384 8.572 -1.907) 9.099 14.195 ( 2.316 -0.566 -3.856) 4.533 14.638 ( 11.223 5.286 -0.607) 12.421 14.886 ( -4.530 -2.801 0.910) 5.403 15.066 ( -4.967 0.243 3.628) 6.156 15.189 ( -1.542 -1.042 2.560) 3.165 15.617 ( 2.179 -1.307 6.792) 7.252 15.654 ( 0.176 -1.430 -3.521) 3.805 15.781 ( 5.520 3.135 0.380) 6.359 16.006 ( -5.000 2.857 -5.307) 7.831 16.263 ( -3.888 -4.282 -1.055) 5.879 17.160 ( 1.819 0.644 0.340) 1.959 24.347 ( -0.349 0.254 -0.298) 0.525 24.416 ( -0.469 -0.711 1.050) 1.353 24.535 ( -0.851 -0.310 -1.250) 1.543 24.591 ( 0.217 0.503 0.470) 0.722 25.864 ( 4.365 -0.979 1.586) 4.746 26.003 ( -3.185 2.252 -2.769) 4.783 26.151 ( -0.882 1.371 -0.483) 1.701 26.645 ( 2.550 2.446 -4.752) 5.921 26.681 ( -1.019 3.592 2.878) 4.714 27.064 ( 4.394 13.362 2.602) 14.305 27.265 ( -3.128 -11.827 -1.116) 12.285 27.814 ( -2.688 -13.723 5.139) 14.899 28.541 ( 0.543 -1.545 0.447) 1.698 28.720 ( -0.312 -4.953 -3.226) 5.919 29.139 ( 6.609 1.743 -0.947) 6.900 29.722 ( -10.161 3.866 1.262) 10.945 ======================= Grid point 32 (22/140) ======================= q-point: ( 0.56 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 244 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.485 ( -0.483 -1.125 0.226) 1.245 1.643 ( -0.008 -2.013 -0.595) 2.099 1.776 ( 8.343 -2.634 3.140) 9.295 2.068 ( 0.006 -8.363 -0.102) 8.364 2.111 ( 4.618 0.179 -4.437) 6.407 2.191 ( 5.029 -2.751 0.484) 5.753 2.406 ( -6.014 -1.553 2.180) 6.583 2.573 ( -11.697 -3.745 1.636) 12.391 2.859 ( -6.233 1.995 -0.657) 6.577 3.302 ( 7.769 1.373 6.091) 9.967 3.426 ( 5.585 0.302 1.022) 5.686 3.479 ( 0.007 4.309 -2.998) 5.249 3.585 ( 12.654 -11.669 -0.270) 17.215 3.718 ( -0.202 -2.766 -0.740) 2.871 3.802 ( -1.458 1.146 -4.369) 4.746 4.039 ( -0.042 0.720 0.848) 1.114 4.199 ( -6.703 -19.974 2.268) 21.190 4.477 ( 2.358 -9.190 2.290) 9.760 4.557 ( -7.148 -8.287 -3.631) 11.530 5.015 ( 6.459 2.482 1.422) 7.064 5.193 ( -0.159 1.003 -1.852) 2.112 5.281 ( -0.209 -0.319 -3.566) 3.587 5.378 ( -8.438 -1.717 2.897) 9.085 5.589 ( -0.948 -1.996 1.750) 2.819 5.720 ( -2.250 0.457 -0.283) 2.314 5.852 ( 1.536 4.368 0.477) 4.655 6.262 ( 7.071 4.325 -2.017) 8.531 6.336 ( -2.476 8.014 1.690) 8.556 6.536 ( 2.588 -4.584 -3.187) 6.154 6.630 ( -0.145 5.507 -0.088) 5.510 6.772 ( -2.965 5.627 0.521) 6.382 6.926 ( 0.964 5.972 0.936) 6.121 6.992 ( 7.335 0.911 4.154) 8.479 7.148 ( -8.331 3.782 -4.311) 10.114 7.332 ( 1.412 -0.519 2.981) 3.339 7.370 ( 3.966 -2.072 -4.704) 6.493 7.586 ( -1.357 -5.626 -0.579) 5.816 7.767 ( 3.802 -1.899 5.312) 6.803 7.934 ( 6.670 -2.179 4.858) 8.534 8.067 ( -4.522 -4.325 -8.823) 10.816 8.229 ( -3.926 7.619 1.230) 8.659 8.319 ( 1.773 1.320 -1.155) 2.494 8.570 ( 1.154 -0.467 0.469) 1.331 8.814 ( -7.261 4.232 0.363) 8.412 9.102 ( -1.346 -3.885 -0.002) 4.111 9.355 ( 1.355 -7.092 0.280) 7.226 9.519 ( -1.372 0.607 -1.057) 1.836 9.830 ( -0.199 6.217 0.736) 6.263 10.460 ( -0.346 -1.222 1.832) 2.230 10.965 ( -2.335 4.893 -0.996) 5.512 11.318 ( -0.050 -2.780 -0.082) 2.781 12.096 ( 0.768 2.403 -0.891) 2.675 12.258 ( -0.536 7.684 0.775) 7.742 12.631 ( 2.194 11.787 0.040) 11.989 13.130 ( 2.215 -7.876 -1.749) 8.367 13.451 ( -0.048 -8.823 4.006) 9.690 13.782 ( -1.975 10.124 -1.915) 10.491 14.197 ( 0.818 0.833 -1.837) 2.177 14.628 ( 10.332 6.145 0.873) 12.053 14.843 ( -7.989 2.310 -1.479) 8.446 15.046 ( -1.887 -1.757 2.485) 3.581 15.226 ( 0.384 -2.677 0.706) 2.795 15.664 ( 2.130 -0.703 3.381) 4.057 15.685 ( 0.302 -2.273 -2.077) 3.093 15.758 ( 3.610 3.898 2.312) 5.794 15.901 ( -4.179 3.634 -4.002) 6.833 16.338 ( -2.029 -7.011 -0.607) 7.324 17.149 ( 0.950 2.073 0.251) 2.294 24.349 ( 0.550 -0.357 -0.054) 0.658 24.415 ( -1.271 0.063 0.289) 1.305 24.546 ( 0.614 -1.099 -0.436) 1.333 24.580 ( -0.630 0.412 0.162) 0.770 25.908 ( 2.590 -0.357 1.479) 3.004 25.943 ( -1.264 2.059 -1.494) 2.841 26.117 ( -0.889 1.336 -0.753) 1.772 26.606 ( 1.650 2.616 -0.181) 3.098 26.640 ( -0.101 2.857 -0.228) 2.867 26.820 ( 0.769 13.098 0.879) 13.150 27.523 ( -0.699 -15.824 -0.633) 15.852 28.004 ( -2.039 -10.028 2.282) 10.485 28.579 ( 0.007 -2.504 0.268) 2.518 28.839 ( 0.099 -8.694 -1.345) 8.798 29.138 ( 4.210 3.104 -0.990) 5.324 29.563 ( -5.945 6.668 0.894) 8.978 ======================= Grid point 33 (23/140) ======================= q-point: ( 0.67 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.485 ( 0.000 0.462 -0.000) 0.462 1.687 ( -0.000 -2.607 0.000) 2.607 1.811 ( -0.000 -0.866 0.000) 0.866 2.080 ( 0.000 1.304 -0.000) 1.304 2.158 ( -0.000 -2.887 0.000) 2.887 2.453 ( -0.000 -5.465 0.000) 5.465 2.489 ( -0.000 -19.314 0.000) 19.314 2.592 ( -0.000 -1.620 0.000) 1.620 2.749 ( 0.000 3.665 -0.000) 3.665 3.278 ( 0.000 4.136 -0.000) 4.136 3.379 ( 0.000 5.802 -0.000) 5.802 3.428 ( 0.000 1.123 -0.000) 1.123 3.663 ( 0.000 6.242 -0.000) 6.242 3.759 ( -0.000 -1.620 0.000) 1.620 3.848 ( -0.000 -5.906 0.000) 5.906 4.008 ( 0.000 2.650 -0.000) 2.650 4.596 ( -0.000 -3.474 0.000) 3.474 4.663 ( -0.000 -29.107 0.000) 29.107 4.728 ( -0.000 -13.050 0.000) 13.050 4.973 ( 0.000 3.450 -0.000) 3.450 5.152 ( 0.000 4.869 -0.000) 4.869 5.201 ( 0.000 3.315 -0.000) 3.315 5.462 ( -0.000 -6.369 0.000) 6.369 5.619 ( -0.000 -1.870 0.000) 1.870 5.718 ( -0.000 -0.418 0.000) 0.418 5.772 ( 0.000 4.214 -0.000) 4.214 6.127 ( 0.000 9.590 -0.000) 9.590 6.250 ( 0.000 5.511 -0.000) 5.511 6.534 ( 0.000 4.411 -0.000) 4.411 6.658 ( -0.000 -7.647 0.000) 7.647 6.667 ( 0.000 4.764 -0.000) 4.764 6.840 ( 0.000 3.909 -0.000) 3.909 7.018 ( 0.000 3.981 -0.000) 3.981 7.081 ( -0.000 -3.501 0.000) 3.501 7.333 ( 0.000 1.850 -0.000) 1.850 7.439 ( -0.000 -5.529 0.000) 5.529 7.630 ( 0.000 1.298 -0.000) 1.298 7.799 ( -0.000 -2.904 0.000) 2.904 7.978 ( 0.000 5.834 -0.000) 5.834 8.009 ( 0.000 2.491 -0.000) 2.491 8.197 ( -0.000 -3.461 0.000) 3.461 8.357 ( -0.000 -3.752 0.000) 3.752 8.568 ( 0.000 1.475 -0.000) 1.475 8.710 ( 0.000 2.919 -0.000) 2.919 9.102 ( 0.000 3.951 -0.000) 3.951 9.461 ( -0.000 -5.043 0.000) 5.043 9.494 ( 0.000 1.484 -0.000) 1.484 9.721 ( 0.000 5.595 -0.000) 5.595 10.497 ( -0.000 -2.674 0.000) 2.674 10.901 ( 0.000 1.086 -0.000) 1.086 11.377 ( -0.000 -4.520 0.000) 4.520 12.070 ( 0.000 0.716 -0.000) 0.716 12.117 ( 0.000 7.845 -0.000) 7.845 12.447 ( 0.000 10.335 -0.000) 10.335 13.250 ( -0.000 -3.513 0.000) 3.513 13.600 ( -0.000 -8.029 0.000) 8.029 13.626 ( 0.000 4.966 -0.000) 4.966 14.179 ( 0.000 1.732 -0.000) 1.732 14.549 ( 0.000 8.262 -0.000) 8.262 14.756 ( 0.000 2.383 -0.000) 2.383 15.073 ( -0.000 -1.334 0.000) 1.334 15.273 ( -0.000 -2.314 0.000) 2.314 15.629 ( 0.000 6.710 -0.000) 6.710 15.730 ( -0.000 -2.489 0.000) 2.489 15.732 ( -0.000 -0.182 0.000) 0.182 15.843 ( 0.000 0.455 -0.000) 0.455 16.466 ( -0.000 -8.403 0.000) 8.403 17.100 ( 0.000 4.091 -0.000) 4.091 24.364 ( -0.000 -0.900 0.000) 0.900 24.401 ( 0.000 0.649 -0.000) 0.649 24.569 ( 0.000 0.273 -0.000) 0.273 24.576 ( -0.000 -1.654 0.000) 1.654 25.909 ( 0.000 1.188 -0.000) 1.188 25.910 ( 0.000 1.293 -0.000) 1.293 26.101 ( -0.000 -0.118 0.000) 0.118 26.509 ( 0.000 10.256 -0.000) 10.256 26.590 ( 0.000 0.579 -0.000) 0.579 26.703 ( 0.000 1.876 -0.000) 1.876 27.755 ( -0.000 -10.532 0.000) 10.532 28.150 ( -0.000 -7.837 0.000) 7.837 28.629 ( -0.000 -3.200 0.000) 3.200 28.965 ( -0.000 -1.961 0.000) 1.961 29.140 ( -0.000 -5.122 0.000) 5.122 29.410 ( 0.000 8.107 -0.000) 8.107 ======================= Grid point 41 (24/140) ======================= q-point: ( 0.44 0.44 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.428 ( -0.606 -0.000 1.473) 1.593 1.622 ( 3.683 0.000 -1.907) 4.148 1.684 ( 5.849 0.000 5.786) 8.228 1.835 ( 13.599 0.000 0.907) 13.629 2.196 ( 0.480 0.000 -1.540) 1.613 2.308 ( 2.976 0.000 -0.308) 2.992 2.448 ( -6.880 -0.000 -3.405) 7.677 2.528 ( -16.818 -0.000 2.248) 16.968 2.701 ( -2.215 -0.000 -2.138) 3.079 3.127 ( 29.579 0.000 0.604) 29.585 3.387 ( 6.374 0.000 11.993) 13.582 3.474 ( 1.500 0.000 -2.965) 3.323 3.565 ( -0.178 -0.000 -0.366) 0.407 3.685 ( -6.530 -0.000 0.951) 6.598 3.796 ( -1.721 -0.000 -9.339) 9.496 3.821 ( -17.003 -0.000 2.635) 17.206 4.003 ( 1.040 0.000 -0.658) 1.231 4.369 ( 2.286 0.000 -0.321) 2.309 4.473 ( -4.650 -0.000 -0.084) 4.651 4.861 ( -2.318 -0.000 0.943) 2.503 5.171 ( 3.277 0.000 0.252) 3.287 5.390 ( 6.199 0.000 -2.477) 6.675 5.400 ( -2.528 -0.000 0.325) 2.549 5.554 ( -7.130 -0.000 3.105) 7.777 5.733 ( -3.300 -0.000 -1.704) 3.714 5.929 ( 2.007 0.000 1.187) 2.332 6.181 ( 0.672 0.000 -0.415) 0.790 6.519 ( 6.527 0.000 -0.226) 6.531 6.632 ( -2.603 -0.000 -0.463) 2.643 6.720 ( 0.146 0.000 0.073) 0.163 6.975 ( 5.342 0.000 -0.951) 5.426 7.002 ( -0.395 -0.000 -1.593) 1.641 7.177 ( -0.655 -0.000 3.080) 3.149 7.191 ( 2.662 0.000 -2.649) 3.756 7.362 ( 2.307 0.000 -4.414) 4.981 7.362 ( -1.244 -0.000 4.510) 4.679 7.402 ( -3.647 -0.000 1.801) 4.067 7.564 ( 3.675 0.000 6.730) 7.668 7.908 ( 0.935 0.000 -12.442) 12.477 7.954 ( 2.069 0.000 0.554) 2.142 8.271 ( -2.523 -0.000 0.140) 2.526 8.553 ( 1.668 0.000 0.749) 1.829 8.634 ( -1.829 -0.000 0.546) 1.908 8.820 ( -0.971 -0.000 -2.063) 2.280 8.907 ( -6.830 -0.000 2.622) 7.316 9.144 ( -0.238 -0.000 2.005) 2.020 9.519 ( -1.662 -0.000 -0.169) 1.671 9.964 ( 0.521 0.000 -0.052) 0.524 10.433 ( -1.686 -0.000 1.104) 2.016 11.189 ( -1.516 -0.000 -0.089) 1.519 11.195 ( 0.918 0.000 -0.779) 1.204 12.156 ( 0.393 0.000 -0.690) 0.794 12.420 ( -0.470 -0.000 0.708) 0.850 12.934 ( 6.884 0.000 -4.149) 8.038 13.022 ( 2.115 0.000 0.348) 2.143 13.146 ( -4.040 -0.000 5.115) 6.518 14.031 ( -2.713 -0.000 -1.214) 2.972 14.212 ( 3.422 0.000 -1.985) 3.956 14.790 ( 11.125 0.000 -3.102) 11.550 14.810 ( -3.661 -0.000 2.429) 4.393 15.025 ( -6.930 -0.000 3.421) 7.728 15.166 ( -1.368 -0.000 1.023) 1.708 15.620 ( 0.936 0.000 3.398) 3.525 15.637 ( -0.176 -0.000 -2.201) 2.208 15.859 ( 5.337 0.000 2.923) 6.085 15.985 ( -5.029 -0.000 -5.145) 7.195 16.201 ( -1.826 -0.000 -0.439) 1.879 17.176 ( 0.900 0.000 0.116) 0.907 24.344 ( -0.474 -0.000 -0.263) 0.542 24.413 ( 0.326 0.000 0.841) 0.902 24.520 ( -0.900 -0.000 -0.871) 1.252 24.600 ( 0.271 0.000 0.285) 0.394 25.895 ( 4.653 0.000 2.219) 5.155 25.984 ( -4.405 -0.000 -3.224) 5.458 26.161 ( -0.385 -0.000 0.107) 0.400 26.663 ( 0.610 0.000 -1.784) 1.886 26.745 ( -0.520 -0.000 0.406) 0.660 27.058 ( 1.187 0.000 0.798) 1.430 27.324 ( -0.497 -0.000 -0.262) 0.561 27.631 ( -0.140 -0.000 3.215) 3.218 28.533 ( 0.460 0.000 0.209) 0.506 28.669 ( -0.362 -0.000 -1.522) 1.565 29.200 ( 4.635 0.000 -0.558) 4.668 29.689 ( -6.489 -0.000 0.788) 6.537 ======================= Grid point 42 (25/140) ======================= q-point: ( 0.56 0.44 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.451 ( -0.000 -2.332 0.000) 2.332 1.628 ( 0.000 0.111 -0.000) 0.111 1.764 ( -0.000 -4.551 0.000) 4.551 1.928 ( -0.000 -4.698 0.000) 4.698 2.150 ( 0.000 3.528 -0.000) 3.528 2.277 ( 0.000 5.427 -0.000) 5.427 2.381 ( 0.000 1.989 -0.000) 1.989 2.469 ( -0.000 -2.150 0.000) 2.150 2.784 ( -0.000 -7.025 0.000) 7.025 3.346 ( -0.000 -3.396 0.000) 3.396 3.464 ( -0.000 -7.280 0.000) 7.280 3.465 ( 0.000 1.058 -0.000) 1.058 3.537 ( 0.000 2.633 -0.000) 2.633 3.672 ( -0.000 -3.007 0.000) 3.007 3.793 ( -0.000 -2.042 0.000) 2.042 3.834 ( -0.000 -9.954 0.000) 9.954 4.032 ( -0.000 -1.980 0.000) 1.980 4.407 ( -0.000 -3.681 0.000) 3.681 4.430 ( 0.000 0.369 -0.000) 0.369 4.947 ( -0.000 -8.493 0.000) 8.493 5.228 ( -0.000 -4.616 0.000) 4.616 5.333 ( 0.000 8.527 -0.000) 8.527 5.355 ( 0.000 3.476 -0.000) 3.476 5.546 ( -0.000 -2.335 0.000) 2.335 5.716 ( 0.000 0.318 -0.000) 0.318 5.919 ( 0.000 2.353 -0.000) 2.353 6.243 ( -0.000 -5.502 0.000) 5.502 6.510 ( 0.000 10.390 -0.000) 10.390 6.533 ( 0.000 1.343 -0.000) 1.343 6.704 ( 0.000 2.544 -0.000) 2.544 6.891 ( 0.000 8.415 -0.000) 8.415 6.990 ( 0.000 1.042 -0.000) 1.042 7.123 ( 0.000 7.568 -0.000) 7.568 7.203 ( 0.000 8.072 -0.000) 8.072 7.268 ( -0.000 -6.271 0.000) 6.271 7.376 ( 0.000 0.212 -0.000) 0.212 7.480 ( -0.000 -5.494 0.000) 5.494 7.697 ( -0.000 -8.967 0.000) 8.967 7.945 ( 0.000 1.035 -0.000) 1.035 7.954 ( -0.000 -4.755 0.000) 4.755 8.276 ( -0.000 -0.891 0.000) 0.891 8.447 ( 0.000 12.703 -0.000) 12.703 8.566 ( -0.000 -0.598 0.000) 0.598 8.854 ( 0.000 2.976 -0.000) 2.976 8.972 ( -0.000 -9.994 0.000) 9.994 9.217 ( -0.000 -7.737 0.000) 7.737 9.515 ( -0.000 -0.191 0.000) 0.191 9.926 ( 0.000 4.301 -0.000) 4.301 10.437 ( -0.000 -1.018 0.000) 1.018 11.072 ( 0.000 7.457 -0.000) 7.457 11.269 ( -0.000 -3.344 0.000) 3.344 12.139 ( 0.000 1.951 -0.000) 1.951 12.372 ( 0.000 5.099 -0.000) 5.099 12.855 ( 0.000 12.544 -0.000) 12.544 13.014 ( -0.000 -5.651 0.000) 5.651 13.285 ( -0.000 -10.296 0.000) 10.296 13.943 ( 0.000 8.101 -0.000) 8.101 14.215 ( 0.000 0.948 -0.000) 0.948 14.772 ( 0.000 3.199 -0.000) 3.199 14.831 ( 0.000 1.363 -0.000) 1.363 15.002 ( -0.000 -1.669 0.000) 1.669 15.181 ( -0.000 -2.177 0.000) 2.177 15.643 ( -0.000 -1.709 0.000) 1.709 15.648 ( -0.000 -1.588 0.000) 1.588 15.858 ( 0.000 3.445 -0.000) 3.445 15.931 ( 0.000 2.530 -0.000) 2.530 16.231 ( -0.000 -4.128 0.000) 4.128 17.175 ( 0.000 0.604 -0.000) 0.604 24.344 ( -0.000 -0.249 0.000) 0.249 24.414 ( 0.000 0.118 -0.000) 0.118 24.525 ( -0.000 -0.986 0.000) 0.986 24.593 ( 0.000 0.845 -0.000) 0.845 25.927 ( -0.000 -0.171 0.000) 0.171 25.948 ( 0.000 0.730 -0.000) 0.730 26.143 ( 0.000 1.685 -0.000) 1.685 26.661 ( 0.000 0.421 -0.000) 0.421 26.673 ( 0.000 4.918 -0.000) 4.918 27.108 ( 0.000 17.352 -0.000) 17.352 27.233 ( -0.000 -15.562 0.000) 15.562 27.800 ( -0.000 -12.549 0.000) 12.549 28.546 ( -0.000 -1.322 0.000) 1.322 28.713 ( -0.000 -5.180 0.000) 5.180 29.203 ( 0.000 1.953 -0.000) 1.953 29.629 ( 0.000 3.667 -0.000) 3.667 ======================= Grid point 85 (26/140) ======================= q-point: ( 0.00 0.00 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 135 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.573 ( -9.679 -0.000 29.402) 30.954 0.629 ( 0.280 0.000 31.958) 31.960 1.162 ( -8.594 -0.000 52.098) 52.802 1.715 ( -2.351 -0.000 -1.140) 2.613 1.821 ( -2.136 -0.000 10.931) 11.138 2.358 ( 0.113 0.000 -3.702) 3.704 2.439 ( 9.166 0.000 -4.123) 10.051 2.898 ( -2.632 -0.000 -1.323) 2.945 2.912 ( 4.752 0.000 -3.926) 6.164 3.081 ( -3.500 -0.000 2.208) 4.138 3.121 ( 5.805 0.000 -3.866) 6.975 3.447 ( -1.426 -0.000 5.642) 5.819 3.544 ( 1.903 0.000 -1.099) 2.198 3.715 ( -8.183 -0.000 4.393) 9.288 3.985 ( 13.222 0.000 -3.598) 13.703 4.027 ( -6.689 -0.000 -2.315) 7.078 4.188 ( -2.751 -0.000 3.889) 4.763 4.328 ( 0.778 0.000 2.493) 2.611 4.716 ( 1.632 0.000 0.950) 1.888 4.903 ( 0.499 0.000 -7.429) 7.445 5.039 ( 4.139 0.000 -0.888) 4.233 5.219 ( -0.183 -0.000 -20.862) 20.862 5.312 ( 24.919 0.000 1.753) 24.980 5.779 ( 4.529 0.000 -7.406) 8.682 5.818 ( -3.418 -0.000 7.894) 8.602 6.091 ( -3.742 -0.000 3.240) 4.950 6.218 ( -17.983 -0.000 -1.778) 18.071 6.316 ( -0.362 -0.000 0.599) 0.700 6.395 ( 4.258 0.000 -0.958) 4.364 6.487 ( -5.276 -0.000 3.893) 6.557 6.630 ( -2.208 -0.000 2.422) 3.277 6.720 ( -0.746 -0.000 4.149) 4.216 6.889 ( 0.921 0.000 -0.895) 1.284 6.943 ( 6.440 0.000 -3.158) 7.173 7.154 ( -2.609 -0.000 3.973) 4.753 7.233 ( -0.469 -0.000 -2.416) 2.461 7.305 ( 1.478 0.000 5.437) 5.634 7.639 ( 3.317 0.000 -3.061) 4.513 7.676 ( -0.208 -0.000 0.475) 0.519 8.038 ( -4.265 -0.000 5.650) 7.079 8.260 ( 1.032 0.000 -9.434) 9.490 8.581 ( 0.440 0.000 -4.741) 4.761 8.774 ( 1.811 0.000 -5.194) 5.500 8.829 ( 4.166 0.000 -3.624) 5.522 9.328 ( -0.704 -0.000 2.702) 2.792 9.616 ( 1.393 0.000 8.148) 8.266 9.659 ( -0.799 -0.000 -7.402) 7.445 10.430 ( -11.387 -0.000 -3.320) 11.861 10.920 ( 4.670 0.000 3.542) 5.862 11.060 ( -6.147 -0.000 10.504) 12.170 11.412 ( 0.703 0.000 -5.782) 5.824 12.364 ( -0.454 -0.000 12.976) 12.984 12.464 ( 3.361 0.000 -7.707) 8.408 12.480 ( 2.781 0.000 -2.249) 3.577 12.501 ( -4.314 -0.000 -1.140) 4.462 13.194 ( 3.774 0.000 1.992) 4.267 13.630 ( -0.389 -0.000 -0.025) 0.390 14.068 ( 2.255 0.000 0.617) 2.338 14.248 ( 10.376 0.000 -2.560) 10.687 14.489 ( -2.335 -0.000 -20.616) 20.748 14.952 ( 0.308 0.000 3.377) 3.392 15.194 ( 0.411 0.000 -0.039) 0.413 15.404 ( 2.280 0.000 15.034) 15.206 15.789 ( 0.362 0.000 10.589) 10.595 16.179 ( -1.960 -0.000 -3.391) 3.917 16.575 ( -2.646 -0.000 1.846) 3.226 16.930 ( 2.493 0.000 -5.692) 6.214 17.070 ( -15.051 -0.000 -3.616) 15.479 24.406 ( 0.927 0.000 0.198) 0.948 24.454 ( -2.359 -0.000 -1.096) 2.601 24.512 ( 3.385 0.000 1.776) 3.823 24.602 ( -0.950 -0.000 -0.282) 0.991 25.708 ( -0.869 -0.000 2.970) 3.095 25.982 ( 1.235 0.000 -1.127) 1.672 26.198 ( -2.545 -0.000 0.823) 2.675 26.221 ( 0.917 0.000 1.116) 1.444 26.822 ( 0.211 0.000 1.925) 1.937 26.913 ( 1.759 0.000 0.248) 1.776 27.069 ( 12.454 0.000 -2.152) 12.638 27.318 ( 0.444 0.000 -4.859) 4.880 28.521 ( -0.478 -0.000 3.406) 3.439 28.893 ( -0.053 -0.000 -2.565) 2.565 30.229 ( 0.851 0.000 2.139) 2.302 30.446 ( -17.395 -0.000 -1.344) 17.446 ======================= Grid point 86 (27/140) ======================= q-point: ( 0.11 0.00 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 243 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.765 ( 0.967 -19.526 19.211) 27.409 0.918 ( 5.000 -20.209 21.270) 29.763 1.518 ( 5.821 -25.522 21.837) 34.089 1.681 ( -3.801 0.173 -1.065) 3.951 1.832 ( 0.477 -6.210 23.413) 24.227 2.328 ( -1.044 2.536 -2.877) 3.975 2.531 ( 6.085 -3.369 -1.645) 7.147 2.808 ( -1.917 6.444 -1.671) 6.928 2.964 ( 2.679 -2.616 -4.538) 5.883 3.066 ( -0.282 0.508 2.471) 2.538 3.187 ( 5.960 -1.497 -2.360) 6.583 3.436 ( -4.222 -0.251 2.358) 4.842 3.572 ( 1.972 -2.746 -2.994) 4.516 3.641 ( -6.166 3.203 3.407) 7.738 3.969 ( -3.038 0.564 -1.658) 3.507 4.068 ( 7.710 0.637 1.753) 7.933 4.152 ( -6.467 0.292 4.129) 7.679 4.370 ( 0.290 -4.191 0.680) 4.256 4.685 ( -0.279 2.882 2.064) 3.556 4.931 ( -0.007 -1.959 -10.508) 10.689 5.129 ( -3.253 -6.970 1.150) 7.777 5.251 ( -1.251 -7.269 -18.569) 19.980 5.449 ( 24.094 6.113 -2.289) 24.963 5.732 ( -3.874 2.080 4.515) 6.303 5.806 ( 2.404 4.714 -1.300) 5.449 6.100 ( -0.202 0.827 -0.478) 0.976 6.137 ( -2.908 -1.599 3.391) 4.744 6.324 ( -7.984 5.910 1.969) 10.127 6.348 ( 0.101 -0.109 0.205) 0.254 6.529 ( 6.914 -1.898 0.412) 7.181 6.620 ( 2.022 -5.485 -8.159) 10.037 6.752 ( 0.874 -2.113 4.521) 5.066 6.816 ( 4.705 5.013 -5.193) 8.616 6.997 ( 0.659 1.988 3.517) 4.093 7.170 ( -0.942 -1.747 1.778) 2.665 7.322 ( -0.191 -5.605 1.938) 5.933 7.508 ( 5.543 -12.072 1.612) 13.381 7.597 ( -0.162 2.609 -0.106) 2.617 7.754 ( 0.903 -6.293 -2.908) 6.991 8.013 ( -2.565 -0.545 3.768) 4.590 8.276 ( 2.628 -1.417 -8.171) 8.699 8.533 ( -1.920 3.172 -3.451) 5.066 8.721 ( 0.399 5.284 0.004) 5.299 8.900 ( 1.070 -2.273 -14.417) 14.635 9.262 ( -1.470 6.078 3.089) 6.975 9.551 ( 0.034 5.682 -2.472) 6.197 9.696 ( -0.623 -2.026 2.216) 3.067 10.049 ( -14.007 13.301 10.409) 21.943 10.928 ( -4.562 -0.121 5.059) 6.813 11.048 ( -0.432 3.790 8.391) 9.218 11.446 ( -3.935 -6.234 -6.419) 9.775 12.202 ( -3.392 8.357 9.914) 13.403 12.381 ( 9.245 12.026 -5.792) 16.237 12.459 ( 1.224 2.614 1.929) 3.472 12.672 ( -0.387 -11.279 -1.026) 11.332 13.435 ( -7.535 -14.417 -6.349) 17.462 13.705 ( 11.650 -2.842 -6.025) 13.421 14.102 ( 1.276 -0.736 -0.405) 1.527 14.310 ( 2.689 7.822 -18.127) 19.925 14.416 ( 15.042 -0.174 -15.041) 21.273 14.990 ( 1.351 -2.708 2.168) 3.723 15.202 ( 1.080 0.288 -0.021) 1.118 15.462 ( 1.259 -2.266 13.047) 13.302 15.812 ( -0.907 -1.346 11.737) 11.849 16.137 ( -2.166 2.479 -3.723) 4.969 16.453 ( -14.196 20.324 26.642) 36.392 16.597 ( -9.254 1.585 1.792) 9.558 16.984 ( 2.320 0.293 -1.482) 2.768 24.394 ( -0.626 1.311 0.384) 1.503 24.443 ( -0.372 -0.263 -0.888) 0.998 24.538 ( 2.104 -0.178 1.733) 2.731 24.610 ( -1.844 -1.242 -1.242) 2.547 25.727 ( 0.513 -1.671 2.301) 2.889 25.992 ( 5.523 4.437 -1.973) 7.355 26.189 ( -1.157 0.468 0.421) 1.318 26.243 ( 5.289 -1.110 0.600) 5.437 26.783 ( -1.254 3.149 4.817) 5.891 26.860 ( 3.152 4.811 3.116) 6.541 27.326 ( -1.679 -10.416 -10.538) 14.912 27.609 ( 10.747 -24.560 -25.591) 37.062 28.545 ( 0.294 -2.395 3.273) 4.066 28.885 ( 1.213 1.171 -2.441) 2.967 29.718 ( -24.719 26.512 32.850) 48.918 30.274 ( -9.932 4.537 0.669) 10.939 ======================= Grid point 87 (28/140) ======================= q-point: ( 0.22 0.00 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 243 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.173 ( 6.098 -19.634 8.277) 22.163 1.357 ( 6.275 -20.606 10.803) 24.098 1.640 ( -1.914 -0.956 -3.970) 4.509 1.756 ( -0.886 -5.386 8.151) 9.810 2.161 ( -0.343 -1.463 4.259) 4.516 2.386 ( 8.715 -14.770 12.739) 21.363 2.603 ( -4.220 -5.714 3.381) 7.867 2.727 ( 3.549 -0.553 -1.074) 3.749 3.009 ( 1.090 1.035 -0.153) 1.511 3.060 ( -0.981 -1.348 0.603) 1.773 3.243 ( 5.054 -0.102 -3.453) 6.121 3.449 ( -0.828 -2.854 -4.624) 5.497 3.502 ( -7.371 3.560 2.308) 8.505 3.672 ( 2.229 -6.908 -4.500) 8.540 3.883 ( -6.771 7.476 5.402) 11.442 4.109 ( 0.886 -1.077 2.127) 2.544 4.134 ( 1.307 -2.068 8.058) 8.421 4.431 ( 2.342 -1.412 0.213) 2.743 4.712 ( -1.754 -6.575 2.503) 7.251 4.928 ( -1.101 -0.243 -9.020) 9.090 5.198 ( -3.124 -4.822 -0.229) 5.750 5.400 ( -2.108 -11.819 -13.678) 18.200 5.542 ( 15.475 1.740 -1.049) 15.608 5.678 ( -0.103 3.657 3.225) 4.877 5.744 ( 0.937 2.359 2.142) 3.321 5.975 ( -8.364 5.320 2.638) 10.258 6.072 ( -2.467 9.203 2.612) 9.879 6.251 ( 0.446 -0.475 -0.948) 1.150 6.400 ( 0.846 -4.451 -5.484) 7.113 6.545 ( 2.585 2.715 2.974) 4.785 6.740 ( 5.902 3.324 0.819) 6.823 6.793 ( 3.268 -5.784 -5.425) 8.577 6.825 ( 2.423 -3.097 -0.135) 3.935 7.009 ( 3.138 -1.835 -0.698) 3.702 7.174 ( -4.156 -1.500 2.876) 5.272 7.392 ( 0.198 -1.178 3.999) 4.174 7.570 ( 1.367 -1.098 -0.229) 1.768 7.684 ( 3.148 -3.417 9.212) 10.318 7.857 ( 1.600 -4.334 -7.339) 8.672 8.057 ( -3.218 -6.417 3.787) 8.116 8.313 ( 2.856 -0.119 -6.821) 7.396 8.452 ( -2.301 3.496 -4.110) 5.866 8.576 ( -4.474 8.636 -1.377) 9.823 8.883 ( 3.453 4.129 -12.464) 13.577 9.131 ( -0.240 7.381 0.922) 7.442 9.458 ( 1.476 4.577 -5.132) 7.033 9.671 ( -8.585 0.376 4.831) 9.858 9.887 ( -0.897 3.227 3.900) 5.141 10.828 ( -11.339 4.584 8.123) 14.682 11.006 ( 5.523 3.283 4.438) 7.809 11.522 ( -8.433 -8.150 -5.764) 13.067 12.070 ( -1.609 5.793 6.482) 8.841 12.226 ( 11.037 13.403 -4.638) 17.971 12.398 ( -0.613 4.949 4.589) 6.777 12.863 ( 2.980 -9.557 -1.014) 10.062 13.549 ( -4.287 -6.930 -1.866) 8.360 13.821 ( 2.427 -3.624 -6.274) 7.641 14.076 ( -1.503 6.781 -15.787) 17.248 14.128 ( 1.830 4.300 -4.276) 6.334 14.590 ( 19.241 -2.248 -15.418) 24.758 15.057 ( 2.378 -2.745 0.380) 3.651 15.198 ( 0.648 0.666 0.157) 0.942 15.500 ( -1.159 -0.076 9.491) 9.562 15.841 ( -2.784 -1.911 12.344) 12.798 16.046 ( -2.580 5.760 1.062) 6.400 16.152 ( -7.780 6.334 24.840) 26.789 16.587 ( -6.733 -4.314 -2.160) 8.283 16.991 ( 4.186 1.843 -1.195) 4.727 24.365 ( -1.535 0.850 0.261) 1.774 24.450 ( 1.855 0.104 -0.403) 1.901 24.550 ( -0.698 -0.256 1.091) 1.320 24.612 ( -1.126 -0.741 -0.911) 1.627 25.774 ( 1.728 -2.204 1.780) 3.318 25.941 ( 1.198 3.276 -1.049) 3.642 26.167 ( -0.999 0.891 0.244) 1.361 26.306 ( 7.071 0.633 0.909) 7.158 26.720 ( -1.492 3.335 6.232) 7.224 26.805 ( 0.082 2.935 3.209) 4.350 27.490 ( -0.961 -10.729 -9.354) 14.266 27.970 ( 5.301 -13.244 -27.195) 30.709 28.617 ( 1.304 -4.701 2.433) 5.452 28.867 ( 2.284 2.139 -1.847) 3.633 29.300 ( -15.618 8.883 28.555) 33.738 30.066 ( -8.122 10.686 0.530) 13.432 ======================= Grid point 88 (29/140) ======================= q-point: ( 0.33 0.00 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 243 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.490 ( 4.693 -9.315 0.409) 10.439 1.591 ( 1.257 -3.816 -1.118) 4.171 1.707 ( -4.323 -6.201 2.478) 7.955 1.970 ( 6.862 -16.222 14.301) 22.689 2.109 ( -1.642 0.903 -1.102) 2.174 2.412 ( 0.536 3.741 2.610) 4.593 2.800 ( 0.994 -3.042 -0.474) 3.235 2.880 ( 2.496 -5.451 3.055) 6.729 2.978 ( -1.820 -3.377 6.273) 7.353 3.070 ( 1.293 1.486 -0.457) 2.023 3.266 ( 0.992 -0.413 -7.474) 7.551 3.325 ( 0.512 7.817 -4.264) 8.919 3.556 ( -9.857 -0.759 2.514) 10.201 3.736 ( 0.155 -2.120 7.954) 8.233 3.821 ( 3.834 -6.538 -6.509) 9.990 4.056 ( -1.606 4.985 2.669) 5.878 4.318 ( 3.192 -14.993 11.040) 18.890 4.509 ( 4.834 -4.276 -1.246) 6.573 4.826 ( -3.504 -6.812 4.533) 8.901 4.909 ( -0.683 0.271 -4.517) 4.576 5.276 ( -1.054 -5.607 -2.635) 6.284 5.520 ( -3.825 -2.900 -3.100) 5.714 5.595 ( 2.164 1.596 -0.610) 2.757 5.614 ( 8.804 4.030 -3.300) 10.230 5.751 ( -1.667 -1.688 2.207) 3.241 5.837 ( -8.368 2.108 1.677) 8.791 5.908 ( -1.733 7.394 4.303) 8.728 6.223 ( 1.821 4.506 -0.553) 4.891 6.451 ( 1.499 1.259 -4.214) 4.646 6.551 ( 0.403 -5.783 -4.368) 7.259 6.750 ( 6.064 1.124 1.269) 6.296 6.856 ( 2.062 -0.897 0.853) 2.405 6.921 ( 5.398 -1.598 2.395) 6.118 7.055 ( -0.759 -1.400 0.389) 1.639 7.221 ( -0.357 -6.255 -1.142) 6.369 7.366 ( -3.417 2.886 3.637) 5.765 7.645 ( 2.552 -5.548 -0.649) 6.141 7.751 ( 1.170 -0.923 11.651) 11.746 7.917 ( 1.770 -2.345 -7.086) 7.671 8.152 ( -3.548 -5.703 4.043) 7.839 8.262 ( -2.053 7.322 -3.985) 8.585 8.295 ( -4.453 8.051 -5.992) 10.980 8.489 ( 1.688 -0.784 -6.177) 6.452 8.796 ( 4.766 7.350 -4.742) 9.961 9.039 ( 1.397 3.341 -3.132) 4.788 9.406 ( 2.220 2.592 -6.227) 7.101 9.610 ( -7.950 -0.946 4.175) 9.030 9.820 ( -0.537 5.252 1.929) 5.621 10.661 ( -8.368 5.566 7.431) 12.499 11.015 ( 3.101 0.510 3.785) 4.920 11.565 ( -8.469 -5.037 -4.722) 10.926 11.990 ( -0.688 3.079 4.467) 5.468 12.113 ( 11.261 8.392 -5.439) 15.060 12.297 ( -2.059 5.689 6.388) 8.799 13.043 ( 4.571 -7.647 -1.729) 9.075 13.617 ( -1.754 -2.940 -1.352) 3.681 13.780 ( -6.236 4.165 -9.756) 12.305 14.009 ( 6.215 -1.119 -13.679) 15.067 14.110 ( 1.025 0.838 -0.752) 1.523 14.739 ( 13.297 -1.563 -10.453) 16.986 15.109 ( 3.725 -0.154 1.144) 3.900 15.204 ( -0.869 -1.388 -2.735) 3.188 15.470 ( -2.309 2.197 6.628) 7.355 15.855 ( -4.851 -1.063 6.762) 8.390 15.933 ( -1.466 4.455 9.260) 10.380 16.079 ( -3.762 1.351 17.750) 18.195 16.620 ( -5.123 -4.987 -2.744) 7.658 16.979 ( 3.891 3.059 -1.174) 5.087 24.343 ( -1.265 0.479 0.115) 1.358 24.468 ( 2.835 0.017 -0.034) 2.835 24.539 ( -2.731 -0.097 0.155) 2.738 24.617 ( -0.122 -0.440 -0.245) 0.518 25.820 ( 1.429 -0.920 0.809) 1.882 25.914 ( 0.808 0.288 -0.204) 0.882 26.146 ( -1.055 0.526 0.273) 1.210 26.322 ( 5.175 3.267 0.913) 6.188 26.672 ( -2.032 1.130 6.671) 7.065 26.771 ( -0.881 1.280 5.133) 5.363 27.646 ( 0.405 -8.307 -10.369) 13.292 28.123 ( 2.102 -4.971 -21.089) 21.768 28.719 ( 0.760 -5.054 1.782) 5.413 28.843 ( 3.033 2.951 -0.798) 4.306 29.173 ( -7.679 -1.183 17.657) 19.291 29.800 ( -7.252 12.173 1.507) 14.249 ======================= Grid point 89 (30/140) ======================= q-point: ( 0.44 0.00 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 243 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.576 ( 0.606 -0.734 1.582) 1.846 1.638 ( -1.160 -0.223 0.085) 1.184 1.772 ( 0.448 -5.580 -0.177) 5.601 2.082 ( -3.009 0.825 0.593) 3.176 2.296 ( 4.369 -10.145 13.172) 17.191 2.463 ( 3.435 -4.078 2.999) 6.118 2.773 ( -0.126 6.083 -1.012) 6.168 2.837 ( -1.202 1.265 -4.805) 5.112 3.010 ( 2.258 4.221 0.351) 4.800 3.092 ( 0.742 -2.088 2.795) 3.566 3.171 ( -5.123 7.483 0.308) 9.074 3.271 ( 0.969 -1.234 -5.651) 5.865 3.492 ( -6.697 -4.691 4.105) 9.149 3.784 ( 3.083 6.265 2.826) 7.532 3.951 ( 2.391 -6.417 -3.124) 7.527 4.000 ( -0.173 -1.208 -0.230) 1.241 4.598 ( 1.582 -1.655 -2.183) 3.164 4.658 ( 1.223 -14.515 9.591) 17.440 4.811 ( -4.357 2.349 3.408) 6.010 5.004 ( 5.809 -7.783 0.992) 9.762 5.288 ( -6.438 4.000 -2.386) 7.946 5.429 ( 2.621 5.214 3.880) 7.008 5.617 ( 0.187 0.926 1.957) 2.173 5.637 ( 1.330 -1.998 -5.529) 6.028 5.734 ( -2.179 4.378 0.398) 4.906 5.757 ( -1.743 -2.108 1.615) 3.176 5.854 ( -2.171 -1.615 3.957) 4.793 6.156 ( 3.018 4.400 -0.767) 5.391 6.444 ( -1.360 -1.806 -5.620) 6.058 6.682 ( 2.333 -6.496 -7.411) 10.127 6.778 ( 2.118 -0.172 1.840) 2.811 6.870 ( 1.110 0.730 1.177) 1.775 6.974 ( 3.096 -0.561 6.075) 6.841 7.054 ( 2.539 2.476 1.725) 3.944 7.252 ( -5.996 2.923 2.458) 7.109 7.341 ( -0.801 -4.515 -3.204) 5.594 7.741 ( -2.519 2.877 7.957) 8.828 7.785 ( 1.233 -7.720 -1.514) 7.963 7.944 ( 1.210 2.166 -0.474) 2.526 8.029 ( 0.225 9.251 -8.370) 12.477 8.194 ( -2.554 -0.009 1.239) 2.839 8.247 ( -0.401 -3.513 2.122) 4.124 8.503 ( 3.625 1.626 -11.610) 12.271 8.751 ( 1.917 -0.115 1.055) 2.191 9.011 ( 1.334 1.226 -4.597) 4.941 9.392 ( 0.346 -0.967 -6.821) 6.897 9.579 ( -3.706 0.723 2.298) 4.420 9.720 ( -0.865 4.108 2.536) 4.904 10.543 ( -2.721 3.307 6.304) 7.621 11.038 ( -0.041 -1.115 4.544) 4.679 11.559 ( -2.606 -0.289 -3.487) 4.363 11.967 ( 1.278 -0.041 1.642) 2.081 12.087 ( 3.235 1.957 -5.838) 6.956 12.207 ( -1.356 3.025 7.893) 8.561 13.178 ( 2.651 -3.592 -2.881) 5.313 13.575 ( -3.937 1.679 -7.502) 8.637 13.720 ( 2.928 1.116 -4.252) 5.282 14.076 ( 2.782 -2.800 -11.260) 11.932 14.106 ( -0.026 0.020 -1.346) 1.346 14.825 ( 4.834 -0.557 -6.402) 8.042 15.144 ( 5.322 -0.262 3.380) 6.310 15.175 ( -5.535 1.926 -4.070) 7.135 15.444 ( 0.752 0.697 1.800) 2.071 15.798 ( -2.515 2.192 -0.238) 3.345 15.925 ( -1.489 -1.401 14.774) 14.915 16.062 ( -2.884 0.187 17.773) 18.006 16.666 ( -2.057 -3.690 -2.644) 4.983 16.947 ( 1.930 2.904 -1.630) 3.849 24.329 ( -0.480 0.248 -0.044) 0.542 24.492 ( 3.002 -0.046 0.117) 3.005 24.516 ( -3.104 0.017 -0.153) 3.108 24.624 ( 0.097 -0.318 0.068) 0.340 25.829 ( 0.287 0.146 0.016) 0.322 25.935 ( 0.692 -1.110 0.237) 1.329 26.135 ( -0.852 -0.172 0.841) 1.210 26.291 ( 2.014 2.993 0.046) 3.608 26.663 ( -1.586 -0.609 7.751) 7.935 26.756 ( -0.878 0.485 6.287) 6.366 27.750 ( 1.442 -4.029 -11.302) 12.085 28.149 ( 1.686 0.767 -17.636) 17.733 28.784 ( -1.598 -1.755 2.078) 3.155 28.815 ( 2.128 1.841 1.265) 3.085 29.243 ( -0.321 -7.815 7.931) 11.139 29.557 ( -4.921 9.760 3.891) 11.603 ======================= Grid point 90 (31/140) ======================= q-point: (-0.44 0.00 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 243 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.548 ( -3.208 1.109 -0.441) 3.423 1.662 ( 3.838 -0.432 2.443) 4.570 1.861 ( 0.011 -1.753 1.781) 2.499 2.073 ( -0.313 -1.872 2.545) 3.175 2.274 ( -4.562 12.224 8.035) 15.324 2.443 ( -7.938 5.178 4.625) 10.546 2.680 ( 2.205 4.851 -6.035) 8.051 2.849 ( 6.820 2.410 -2.946) 7.810 3.009 ( 1.070 0.208 1.841) 2.139 3.070 ( 9.313 0.342 -0.934) 9.366 3.151 ( -4.591 -7.554 2.034) 9.071 3.305 ( -0.318 -1.758 -2.505) 3.077 3.546 ( -8.764 -2.187 5.225) 10.435 3.676 ( 3.062 2.875 -2.690) 4.988 3.976 ( -0.473 2.415 -0.559) 2.524 4.075 ( 1.347 -1.976 0.621) 2.471 4.540 ( -2.622 7.404 3.801) 8.726 4.670 ( -7.033 3.731 0.155) 7.963 4.855 ( 2.914 -1.088 6.567) 7.267 4.977 ( -4.532 11.152 1.170) 12.094 5.307 ( 6.419 -7.513 -3.146) 10.371 5.433 ( 2.033 -0.470 2.444) 3.214 5.564 ( -1.305 1.791 2.440) 3.296 5.632 ( 2.883 3.004 -3.805) 5.640 5.737 ( 3.545 -2.405 1.474) 4.530 5.810 ( -2.101 -3.934 1.981) 4.880 5.886 ( -3.419 -4.038 3.797) 6.512 6.138 ( 3.412 0.082 -1.923) 3.917 6.467 ( -4.799 -3.937 -5.679) 8.413 6.726 ( -2.717 0.884 -3.540) 4.550 6.811 ( 0.151 -2.000 1.851) 2.729 6.855 ( -2.070 1.212 0.193) 2.407 6.926 ( -0.339 6.809 4.670) 8.263 7.067 ( 5.016 0.117 1.393) 5.207 7.229 ( -1.358 -4.841 3.568) 6.165 7.352 ( -2.978 1.302 -5.175) 6.111 7.640 ( -3.994 5.300 5.198) 8.430 7.806 ( -0.122 7.929 0.351) 7.938 7.876 ( 0.942 1.838 -4.521) 4.971 8.013 ( 3.795 -3.528 -5.611) 7.637 8.256 ( 2.849 -6.795 2.046) 7.647 8.325 ( 0.749 -4.136 5.140) 6.640 8.469 ( 2.638 3.234 -10.525) 11.323 8.807 ( -2.455 -5.611 -0.411) 6.138 8.999 ( -0.353 -0.091 -5.290) 5.303 9.425 ( -1.983 -3.792 -6.109) 7.458 9.518 ( 1.640 3.919 -0.556) 4.285 9.714 ( 0.627 -2.590 4.185) 4.961 10.525 ( 4.191 0.352 5.416) 6.857 11.062 ( -3.174 -2.420 5.705) 6.963 11.541 ( 4.824 2.595 -3.537) 6.521 11.989 ( -1.127 -0.666 -0.618) 1.447 12.087 ( -2.114 -4.374 -3.067) 5.745 12.199 ( -0.971 -1.134 7.312) 7.463 13.163 ( -3.774 3.659 -3.918) 6.556 13.590 ( 1.521 -4.607 -6.005) 7.720 13.715 ( 8.528 3.992 -4.813) 10.575 14.102 ( -4.646 -2.222 -4.163) 6.622 14.111 ( 2.145 -0.086 -8.694) 8.956 14.798 ( -6.052 2.365 -6.025) 8.861 15.088 ( -2.843 2.165 -3.390) 4.926 15.213 ( 5.160 -1.406 2.879) 6.074 15.422 ( -0.375 2.049 0.976) 2.301 15.786 ( 2.082 -0.503 1.236) 2.473 15.961 ( -1.950 -2.390 13.808) 14.148 16.069 ( -2.449 -1.348 17.442) 17.664 16.700 ( 2.792 0.103 -1.193) 3.037 16.915 ( -1.902 0.280 -2.976) 3.543 24.327 ( 0.454 0.003 -0.126) 0.471 24.491 ( -3.013 -0.112 0.042) 3.015 24.514 ( 2.766 0.279 -0.127) 2.783 24.630 ( 0.264 -0.267 0.254) 0.454 25.828 ( -0.447 -0.042 -0.007) 0.449 25.946 ( -0.623 -0.102 0.594) 0.866 26.145 ( -0.318 -1.375 1.261) 1.892 26.264 ( -0.821 0.431 -0.950) 1.328 26.678 ( -1.155 -1.151 8.412) 8.568 26.753 ( -0.678 -0.016 6.227) 6.264 27.774 ( 1.719 1.535 -10.658) 10.904 28.097 ( 3.740 4.919 -18.879) 19.865 28.751 ( 0.352 3.755 2.029) 4.283 28.833 ( -2.605 -2.563 1.883) 4.111 29.330 ( -2.881 2.571 8.705) 9.523 29.507 ( 5.310 -8.297 2.753) 10.228 ======================= Grid point 91 (32/140) ======================= q-point: (-0.33 0.00 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 243 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.502 ( -2.152 4.112 -1.404) 4.849 1.681 ( 2.756 2.085 0.100) 3.457 1.736 ( -7.072 12.110 7.973) 16.132 1.946 ( -8.850 15.974 14.302) 23.196 2.179 ( 3.120 -4.137 -0.305) 5.191 2.340 ( -1.122 -2.261 -0.146) 2.528 2.592 ( 2.655 6.362 -8.542) 10.977 2.829 ( -0.117 6.514 2.125) 6.853 2.975 ( 0.976 2.632 2.580) 3.812 3.092 ( 1.185 3.458 3.555) 5.099 3.260 ( -3.471 4.268 -5.270) 7.618 3.389 ( 7.415 -12.818 -1.634) 14.898 3.446 ( 2.449 5.000 2.624) 6.155 3.742 ( -5.085 -7.095 -2.957) 9.217 3.821 ( -0.120 14.270 1.150) 14.317 4.105 ( 0.497 -2.473 3.518) 4.329 4.372 ( -5.796 7.760 10.225) 14.084 4.535 ( -5.968 4.530 0.802) 7.535 4.803 ( 1.350 5.962 2.075) 6.455 4.888 ( 2.941 0.443 -3.894) 4.900 5.339 ( 1.671 7.496 -0.541) 7.699 5.429 ( -1.803 0.225 -2.213) 2.863 5.563 ( -0.250 2.178 -6.560) 6.917 5.625 ( 1.803 -2.496 1.782) 3.557 5.813 ( -0.498 -0.216 2.429) 2.489 5.892 ( 8.189 -5.721 3.476) 10.577 5.937 ( -4.001 -4.666 3.924) 7.293 6.198 ( 3.756 -3.794 -2.536) 5.911 6.481 ( -7.599 -3.973 -4.535) 9.700 6.655 ( -6.372 0.823 -1.502) 6.598 6.728 ( -2.602 8.076 2.611) 8.877 6.833 ( -1.162 0.311 3.291) 3.504 6.891 ( -1.440 -0.734 1.520) 2.219 7.106 ( 5.310 -0.402 -0.327) 5.335 7.246 ( -7.168 3.977 -4.308) 9.260 7.351 ( 1.221 -5.171 2.921) 6.063 7.551 ( -1.595 2.279 6.841) 7.385 7.674 ( -1.270 6.339 0.151) 6.466 7.794 ( 3.622 6.915 -6.396) 10.092 8.130 ( 4.364 -4.935 -3.759) 7.585 8.349 ( 0.444 0.745 3.011) 3.134 8.421 ( 1.400 2.012 -7.921) 8.292 8.460 ( 0.858 -9.987 1.862) 10.195 8.895 ( -2.319 -7.035 -3.504) 8.195 9.005 ( -1.490 -2.543 -5.638) 6.362 9.467 ( -3.272 -4.196 -5.469) 7.630 9.507 ( 7.482 1.222 -0.550) 7.601 9.798 ( 1.730 -4.589 5.258) 7.190 10.599 ( 8.789 -1.781 4.409) 9.993 11.085 ( -5.839 -3.561 7.250) 9.966 11.535 ( 10.708 5.208 -4.278) 12.652 12.000 ( -6.061 -5.680 -1.619) 8.463 12.186 ( -4.168 -7.686 0.624) 8.766 12.230 ( -0.032 -2.879 5.343) 6.069 13.032 ( -5.074 6.064 -2.425) 8.270 13.622 ( 4.970 4.718 -0.912) 6.913 13.765 ( 8.646 -2.265 -10.339) 13.666 14.093 ( -5.325 -3.110 -8.413) 10.432 14.121 ( 0.724 -1.302 -5.853) 6.040 14.654 ( -11.871 4.144 -10.542) 16.408 15.056 ( 0.446 0.814 -1.971) 2.179 15.234 ( -0.499 1.443 0.969) 1.808 15.414 ( 2.353 0.002 5.225) 5.731 15.810 ( 2.448 0.968 5.349) 5.962 16.014 ( -2.073 -4.009 13.757) 14.479 16.116 ( -1.830 -3.835 15.157) 15.742 16.701 ( 6.510 3.914 1.356) 7.716 16.906 ( -4.581 -2.735 -4.650) 7.077 24.336 ( 1.219 -0.361 -0.098) 1.275 24.473 ( -2.666 -0.405 0.145) 2.701 24.524 ( 2.106 0.857 -0.304) 2.294 24.637 ( 0.520 -0.083 0.348) 0.631 25.816 ( -1.491 0.815 0.582) 1.796 25.947 ( -1.267 -1.307 1.098) 2.126 26.174 ( -0.442 -1.884 1.196) 2.274 26.255 ( -3.298 -1.165 -1.720) 3.897 26.702 ( -1.250 -1.527 8.386) 8.615 26.761 ( -0.140 -0.637 4.859) 4.903 27.699 ( 1.057 6.819 -8.373) 10.851 27.998 ( 7.356 9.006 -24.122) 26.779 28.679 ( -0.620 4.485 2.518) 5.181 28.858 ( -3.042 -2.769 0.522) 4.146 29.289 ( -0.716 -0.125 16.861) 16.876 29.768 ( 8.615 -12.776 0.430) 15.415 ======================= Grid point 92 (33/140) ======================= q-point: (-0.22 0.00 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 243 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.222 ( -7.688 20.941 8.985) 24.049 1.399 ( -10.833 22.137 11.255) 27.094 1.657 ( -1.461 -0.673 -1.431) 2.153 1.760 ( -0.699 1.885 11.315) 11.492 2.272 ( -1.865 -0.882 3.260) 3.858 2.293 ( -11.729 18.462 11.161) 24.555 2.445 ( 7.893 8.728 -6.233) 13.317 2.670 ( 2.679 -1.526 -0.411) 3.111 2.943 ( 3.585 3.597 -2.235) 5.548 3.048 ( 2.557 0.981 3.006) 4.067 3.192 ( -2.682 1.284 -4.916) 5.745 3.421 ( 4.096 1.816 0.538) 4.513 3.616 ( 4.351 8.631 0.307) 9.670 3.642 ( 6.485 -8.359 -6.138) 12.231 3.803 ( -6.656 -5.845 1.852) 9.049 4.140 ( -2.848 2.023 8.221) 8.932 4.234 ( -3.513 1.277 3.952) 5.440 4.442 ( -2.276 3.446 2.226) 4.692 4.730 ( 1.431 3.858 2.823) 4.990 4.919 ( 2.684 -1.533 -8.376) 8.928 5.191 ( 1.525 9.139 -0.205) 9.268 5.348 ( -1.585 6.374 -4.551) 7.991 5.474 ( -1.019 6.399 -10.112) 12.010 5.699 ( 0.041 -4.365 -0.001) 4.365 5.783 ( -3.379 0.496 4.463) 5.620 5.994 ( -1.451 -5.438 2.592) 6.197 6.073 ( 6.245 -5.388 3.693) 9.037 6.316 ( 3.199 -5.585 -0.534) 6.458 6.478 ( -8.804 -3.424 -2.743) 9.836 6.571 ( -3.737 6.232 3.709) 8.158 6.643 ( -1.297 -3.608 -3.577) 5.243 6.801 ( -1.412 2.565 4.730) 5.563 6.858 ( -5.372 2.583 -7.072) 9.249 7.100 ( -8.334 3.672 1.453) 9.222 7.158 ( 4.767 -0.048 -0.173) 4.770 7.411 ( -2.393 -1.550 4.199) 5.075 7.538 ( -0.788 0.231 3.742) 3.831 7.572 ( 0.663 5.414 1.372) 5.625 7.726 ( 6.490 3.958 -5.197) 9.208 8.170 ( -2.005 2.645 2.113) 3.934 8.317 ( -2.303 1.186 -6.416) 6.919 8.423 ( 4.236 -2.302 -5.820) 7.558 8.614 ( 0.742 -6.015 0.440) 6.077 8.973 ( -2.129 -2.530 -11.000) 11.486 9.082 ( 3.277 -7.146 -0.216) 7.865 9.510 ( -1.696 -3.788 -3.053) 5.152 9.583 ( 8.151 -2.143 -0.386) 8.437 9.904 ( 1.450 -5.807 9.072) 10.869 10.721 ( 10.368 -2.551 3.047) 11.103 11.111 ( -7.544 -4.410 9.458) 12.877 11.503 ( 10.725 7.661 -4.791) 14.023 12.105 ( -5.222 -11.000 0.524) 12.188 12.242 ( -7.453 -5.644 5.063) 10.631 12.335 ( 2.154 -5.748 -1.370) 6.289 12.877 ( -4.191 7.412 -0.021) 8.515 13.555 ( 10.486 9.283 -2.574) 14.239 13.798 ( -2.239 0.495 -10.401) 10.651 14.133 ( 1.750 -1.766 -0.587) 2.555 14.181 ( 0.186 -7.348 -17.864) 19.317 14.460 ( -13.383 3.931 -13.113) 19.145 15.034 ( -0.024 2.226 -0.678) 2.327 15.206 ( -1.391 0.221 1.561) 2.103 15.430 ( 2.234 1.911 7.630) 8.177 15.802 ( 1.491 2.351 8.732) 9.165 16.106 ( -1.547 -6.118 7.673) 9.935 16.216 ( -2.041 -8.585 21.813) 23.531 16.678 ( 5.031 3.973 2.841) 7.012 16.922 ( -2.582 -2.860 -4.331) 5.797 24.358 ( 1.512 -0.833 -0.009) 1.726 24.465 ( -2.022 -0.804 0.063) 2.177 24.517 ( 1.341 1.474 -0.160) 1.999 24.640 ( 0.572 0.433 0.133) 0.729 25.779 ( -2.227 1.726 1.765) 3.325 25.979 ( -2.747 -3.840 0.339) 4.734 26.199 ( -1.243 -1.509 0.959) 2.178 26.240 ( -4.544 -0.846 -1.710) 4.928 26.734 ( -1.254 -2.476 7.333) 7.841 26.784 ( 0.343 -1.226 3.162) 3.409 27.551 ( 0.307 9.230 -6.610) 11.357 27.821 ( 10.309 16.850 -30.171) 36.062 28.601 ( -1.059 3.855 2.887) 4.931 28.880 ( -2.504 -2.209 -1.045) 3.499 29.400 ( 2.420 -10.163 27.450) 29.371 30.057 ( 9.576 -11.385 0.275) 14.879 ======================= Grid point 93 (34/140) ======================= q-point: (-0.11 0.00 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 243 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.809 ( -9.164 18.443 19.691) 28.492 0.913 ( -9.711 23.933 19.412) 32.310 1.527 ( -16.390 23.718 28.885) 40.810 1.739 ( -3.845 3.155 3.174) 5.900 1.792 ( -0.755 2.269 16.960) 17.128 2.338 ( 1.625 -1.867 -2.796) 3.734 2.409 ( 9.397 4.231 -7.478) 12.733 2.814 ( 1.895 -7.797 -1.727) 8.208 2.915 ( 4.912 2.469 -5.603) 7.850 3.081 ( -1.693 -2.505 2.927) 4.208 3.127 ( 1.359 3.696 -3.110) 5.018 3.448 ( 2.199 -0.743 2.495) 3.407 3.545 ( 2.231 2.742 -2.646) 4.415 3.749 ( -6.161 -3.246 2.134) 7.283 3.876 ( 7.554 -2.291 0.112) 7.894 4.065 ( -4.169 0.665 0.871) 4.311 4.227 ( -3.438 0.838 4.492) 5.718 4.355 ( 0.960 5.003 1.934) 5.449 4.718 ( -1.754 -1.434 -0.033) 2.266 4.926 ( 3.102 2.361 -8.138) 9.024 5.078 ( 9.777 8.793 -1.315) 13.215 5.234 ( -1.906 2.409 -3.952) 5.006 5.319 ( -3.793 6.408 -10.640) 12.987 5.756 ( 2.228 -0.376 -3.968) 4.567 5.793 ( -3.025 -4.502 5.439) 7.682 6.067 ( -0.796 -2.654 3.453) 4.427 6.215 ( 0.686 -7.378 2.233) 7.739 6.342 ( -0.034 3.909 1.927) 4.358 6.482 ( -7.228 -5.572 2.287) 9.408 6.507 ( -8.118 -1.494 1.796) 8.448 6.661 ( -4.393 8.204 -13.613) 16.490 6.732 ( -1.215 -2.817 -1.196) 3.293 6.780 ( 0.401 -1.812 -0.218) 1.868 7.019 ( -3.983 1.635 2.904) 5.193 7.170 ( -0.142 0.639 3.214) 3.280 7.355 ( -3.675 4.815 2.808) 6.677 7.437 ( 2.328 12.365 -1.219) 12.641 7.580 ( 2.136 -3.048 -0.962) 3.844 7.711 ( 4.875 3.942 -3.519) 7.190 8.080 ( -6.853 1.465 3.464) 7.817 8.273 ( -0.061 1.048 -7.840) 7.910 8.522 ( 4.552 -4.053 -4.713) 7.705 8.697 ( 1.555 -3.516 0.307) 3.857 8.919 ( 0.900 5.779 -13.401) 14.622 9.250 ( 2.805 -7.093 2.719) 8.098 9.564 ( -1.245 -3.755 1.379) 4.189 9.666 ( 3.496 -0.787 -2.179) 4.194 10.119 ( 4.790 -17.437 13.855) 22.780 10.842 ( 9.428 -1.495 2.520) 9.872 11.130 ( -7.560 -2.245 10.582) 13.197 11.440 ( 6.168 5.855 -5.576) 10.169 12.246 ( -5.006 -7.778 12.626) 15.652 12.327 ( -2.024 -9.719 -6.286) 11.750 12.428 ( 1.670 -3.154 -1.732) 3.967 12.704 ( -3.530 9.152 0.631) 9.829 13.436 ( 14.931 18.053 -9.857) 25.416 13.711 ( -14.196 0.327 -10.319) 17.553 14.129 ( -0.003 6.549 -8.128) 10.438 14.195 ( -1.611 -1.523 -0.798) 2.356 14.429 ( -1.797 -8.648 -16.780) 18.963 14.981 ( -0.801 2.895 1.813) 3.508 15.201 ( -0.804 0.051 0.222) 0.836 15.404 ( 2.012 3.400 11.925) 12.562 15.786 ( 0.994 1.638 9.926) 10.109 16.174 ( -1.572 -2.690 -1.591) 3.498 16.503 ( 0.627 -17.330 20.206) 26.627 16.689 ( -0.487 -8.769 8.157) 11.986 16.955 ( 1.559 -2.143 -1.178) 2.900 24.386 ( 1.159 -1.036 0.047) 1.555 24.467 ( -1.777 -0.924 -0.642) 2.103 24.499 ( 1.770 1.562 0.994) 2.561 24.628 ( 0.028 1.281 -0.520) 1.383 25.734 ( -1.892 1.585 2.473) 3.494 26.012 ( -9.135 -4.283 -2.625) 10.424 26.205 ( -1.891 -0.817 0.240) 2.074 26.218 ( -1.561 0.173 0.749) 1.740 26.792 ( -1.020 -3.946 5.072) 6.507 26.813 ( 1.593 -1.476 3.176) 3.848 27.378 ( -1.627 10.898 -10.934) 15.523 27.476 ( 12.252 27.482 -23.489) 38.172 28.543 ( -0.932 2.172 3.243) 4.013 28.892 ( -1.392 -1.171 -2.141) 2.809 29.801 ( 5.397 -29.158 30.416) 42.479 30.299 ( 9.836 -7.434 1.877) 12.472 ======================= Grid point 95 (35/140) ======================= q-point: ( 0.11 0.11 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 135 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.658 ( 15.985 0.000 17.133) 23.432 0.839 ( 15.570 0.000 25.478) 29.859 1.373 ( 17.160 0.000 30.379) 34.890 1.661 ( -3.715 -0.000 -2.985) 4.766 1.800 ( -1.688 -0.000 21.481) 21.547 2.358 ( 1.147 0.000 -3.572) 3.752 2.539 ( 2.014 0.000 1.721) 2.649 2.826 ( -5.896 -0.000 -1.929) 6.203 2.957 ( 3.660 0.000 -4.293) 5.642 3.068 ( -1.737 -0.000 -0.300) 1.763 3.234 ( 8.523 0.000 -3.112) 9.073 3.392 ( -7.238 -0.000 4.891) 8.735 3.563 ( 0.788 0.000 -0.244) 0.825 3.632 ( -3.302 -0.000 1.850) 3.785 3.931 ( -3.448 -0.000 -0.859) 3.553 4.085 ( -7.226 -0.000 3.165) 7.889 4.138 ( 3.685 0.000 0.328) 3.700 4.328 ( -1.045 -0.000 -1.024) 1.463 4.785 ( 6.299 0.000 2.258) 6.692 4.883 ( -1.299 -0.000 -9.931) 10.016 5.032 ( -0.909 -0.000 4.288) 4.383 5.155 ( -1.450 -0.000 -21.477) 21.526 5.705 ( 3.741 0.000 -3.764) 5.307 5.770 ( 2.952 0.000 0.436) 2.984 5.843 ( 5.201 0.000 -7.275) 8.943 6.018 ( -7.118 -0.000 3.656) 8.002 6.116 ( 2.270 0.000 5.058) 5.544 6.310 ( -6.779 -0.000 3.702) 7.724 6.463 ( 18.550 0.000 -18.297) 26.056 6.545 ( 3.748 0.000 -1.096) 3.905 6.649 ( 5.251 0.000 1.026) 5.350 6.734 ( 0.919 0.000 3.782) 3.892 6.930 ( 4.348 0.000 -0.345) 4.362 7.040 ( 3.149 0.000 2.908) 4.286 7.187 ( 7.289 0.000 -0.721) 7.325 7.239 ( 1.923 0.000 -3.898) 4.346 7.376 ( 5.922 0.000 4.570) 7.480 7.648 ( -3.426 -0.000 0.634) 3.484 7.649 ( -1.691 -0.000 3.515) 3.901 8.009 ( -1.995 -0.000 4.243) 4.689 8.271 ( 3.031 0.000 -10.521) 10.949 8.526 ( -4.642 -0.000 -3.962) 6.103 8.817 ( 3.380 0.000 -3.164) 4.630 8.823 ( -3.170 -0.000 -7.457) 8.103 9.301 ( -2.605 -0.000 4.451) 5.157 9.626 ( -3.022 -0.000 -6.556) 7.219 9.646 ( -0.757 -0.000 5.888) 5.937 10.027 ( -24.913 -0.000 10.653) 27.095 10.841 ( -10.638 -0.000 6.700) 12.572 11.111 ( 4.847 0.000 8.391) 9.690 11.354 ( -5.331 -0.000 -6.663) 8.533 12.324 ( -5.338 -0.000 15.538) 16.430 12.476 ( 2.097 0.000 -3.888) 4.417 12.491 ( 0.541 0.000 1.986) 2.058 12.598 ( 10.259 0.000 -12.101) 15.865 13.262 ( 3.491 0.000 4.132) 5.409 13.775 ( 11.071 0.000 -6.023) 12.603 14.128 ( 3.987 0.000 1.221) 4.169 14.379 ( -4.065 -0.000 -18.860) 19.293 14.520 ( 22.026 0.000 -24.123) 32.666 14.985 ( 2.623 0.000 2.378) 3.541 15.226 ( 3.833 0.000 -1.025) 3.968 15.465 ( 0.591 0.000 15.010) 15.022 15.804 ( -1.709 -0.000 11.053) 11.184 16.135 ( -2.481 -0.000 -3.786) 4.527 16.487 ( -7.602 -0.000 -0.028) 7.602 16.582 ( -34.109 -0.000 24.439) 41.961 16.987 ( 5.080 0.000 -4.161) 6.567 24.413 ( -2.542 -0.000 -1.086) 2.765 24.419 ( 0.546 0.000 0.939) 1.087 24.561 ( 2.242 0.000 1.491) 2.692 24.580 ( -1.647 -0.000 -1.062) 1.960 25.723 ( 2.006 0.000 2.987) 3.598 26.150 ( -3.510 -0.000 -0.459) 3.540 26.156 ( 6.920 0.000 -7.027) 9.863 26.294 ( 11.725 0.000 -2.733) 12.039 26.825 ( -0.505 -0.000 2.395) 2.448 26.952 ( 2.728 0.000 0.981) 2.899 27.279 ( 14.793 0.000 -16.689) 22.301 27.311 ( 0.111 0.000 -4.999) 5.000 28.532 ( 0.751 0.000 3.764) 3.838 28.908 ( 2.662 0.000 -2.821) 3.879 29.735 ( -52.250 -0.000 36.683) 63.841 30.192 ( -6.109 -0.000 2.555) 6.622 ======================= Grid point 96 (36/140) ======================= q-point: ( 0.22 0.11 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 243 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.969 ( 18.388 -13.945 9.721) 25.041 1.137 ( 15.560 -13.893 16.481) 26.585 1.612 ( -4.005 0.256 -2.203) 4.579 1.661 ( 5.761 -7.363 0.948) 9.397 1.998 ( 13.019 -18.872 31.108) 38.644 2.321 ( 1.289 3.027 0.648) 3.353 2.540 ( -5.738 -0.575 2.704) 6.369 2.751 ( -5.208 2.047 -1.483) 5.789 3.010 ( 5.501 -1.837 -5.648) 8.095 3.044 ( -3.325 -0.018 0.370) 3.346 3.284 ( 3.766 -0.488 -1.866) 4.231 3.342 ( -5.441 -0.710 2.661) 6.098 3.553 ( -2.930 2.877 -1.408) 4.341 3.613 ( 1.409 -1.341 -2.505) 3.171 3.908 ( -5.027 1.213 4.493) 6.851 4.049 ( -3.695 -2.257 5.421) 6.938 4.180 ( 3.491 -0.553 1.125) 3.709 4.353 ( -2.144 -4.933 -3.224) 6.271 4.748 ( 6.886 6.541 4.311) 10.430 4.872 ( -4.752 -2.014 -9.573) 10.875 5.100 ( -1.418 -4.389 0.271) 4.620 5.191 ( -0.379 -7.859 -15.579) 17.454 5.667 ( -4.304 0.949 6.598) 7.935 5.739 ( 12.062 4.732 -6.520) 14.505 5.842 ( 2.125 3.920 1.444) 4.687 5.955 ( -10.803 1.782 2.714) 11.280 6.185 ( -3.602 -2.631 3.432) 5.628 6.249 ( 1.483 3.391 1.807) 4.119 6.420 ( 7.267 8.624 -3.084) 11.692 6.656 ( 7.758 1.971 -0.293) 8.010 6.695 ( 10.593 -6.261 -11.234) 16.662 6.776 ( 1.300 -2.224 2.791) 3.798 6.881 ( 4.390 6.198 -1.969) 7.846 7.057 ( 5.330 0.275 2.850) 6.051 7.156 ( -0.150 3.222 -0.554) 3.273 7.350 ( 2.255 -4.530 2.661) 5.717 7.573 ( -1.354 0.810 2.877) 3.282 7.610 ( 4.875 -9.930 1.260) 11.134 7.732 ( -2.076 -7.728 -1.350) 8.115 7.990 ( -2.165 -0.380 2.459) 3.298 8.304 ( 2.680 -1.775 -9.582) 10.107 8.469 ( -4.175 1.781 -3.140) 5.519 8.677 ( -5.108 7.754 -2.390) 9.588 8.900 ( 2.248 -3.060 -9.924) 10.625 9.248 ( -0.928 4.993 3.988) 6.457 9.526 ( -5.190 3.460 -3.309) 7.061 9.616 ( -8.565 1.933 5.026) 10.118 9.896 ( -4.752 -0.050 2.993) 5.616 10.782 ( -11.385 -0.543 7.358) 13.567 11.115 ( 2.909 4.037 6.693) 8.340 11.338 ( -6.306 -4.511 -5.278) 9.379 12.190 ( -0.830 7.990 8.561) 11.739 12.463 ( -1.393 2.812 4.375) 5.384 12.517 ( 8.284 8.882 -4.566) 12.975 12.701 ( 5.256 -10.164 -6.022) 12.930 13.380 ( -0.290 -8.299 2.236) 8.600 13.833 ( 6.737 1.242 -5.545) 8.813 14.121 ( -1.705 2.891 -6.228) 7.075 14.271 ( 4.439 6.985 -11.990) 14.569 14.675 ( 16.184 -2.424 -22.917) 28.160 15.032 ( 3.151 -2.366 1.546) 4.233 15.241 ( 4.220 1.979 -0.905) 4.748 15.490 ( -1.733 -0.892 11.820) 11.979 15.806 ( -3.272 -0.884 10.216) 10.764 16.093 ( -2.323 2.098 -2.040) 3.736 16.251 ( -15.860 10.142 29.006) 34.580 16.460 ( -8.066 -3.167 -0.363) 8.674 17.031 ( 3.928 -0.391 -3.137) 5.042 24.373 ( -1.563 1.331 -0.145) 2.058 24.445 ( 0.263 -1.540 0.336) 1.598 24.552 ( -1.159 1.013 -0.188) 1.551 24.590 ( 0.285 -0.981 0.251) 1.052 25.763 ( 3.254 -1.520 2.906) 4.620 26.041 ( 0.388 6.531 -1.997) 6.840 26.172 ( -0.975 0.647 -0.705) 1.366 26.383 ( 10.490 0.352 -1.900) 10.667 26.775 ( -1.197 3.189 5.087) 6.122 26.925 ( 4.262 8.278 1.067) 9.371 27.276 ( -1.787 -9.217 -8.811) 12.875 27.686 ( 5.968 -20.043 -23.025) 31.104 28.567 ( 1.524 -2.604 3.835) 4.879 28.919 ( 3.838 1.308 -2.596) 4.815 29.325 ( -28.677 7.973 34.909) 45.875 30.111 ( -10.828 3.637 1.446) 11.514 ======================= Grid point 97 (37/140) ======================= q-point: ( 0.33 0.11 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 243 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.357 ( 13.908 -13.059 5.538) 19.865 1.508 ( 8.570 -11.824 3.380) 14.989 1.581 ( -3.614 -1.748 -2.808) 4.899 1.810 ( 5.353 -9.272 11.993) 16.077 2.143 ( -1.256 4.488 -1.288) 4.835 2.454 ( -9.507 2.727 2.367) 10.169 2.670 ( 15.620 -21.768 13.339) 29.929 2.714 ( -5.359 -3.047 2.767) 6.757 2.983 ( -4.999 1.881 1.722) 5.612 3.094 ( 5.212 -1.426 -6.168) 8.201 3.319 ( 2.378 3.187 -0.791) 4.054 3.354 ( -5.794 -8.947 1.547) 10.771 3.449 ( 0.029 5.376 -6.109) 8.138 3.690 ( 0.886 -5.966 -4.748) 7.676 3.790 ( -5.112 5.205 7.691) 10.600 4.155 ( -1.163 2.547 6.261) 6.858 4.167 ( 5.484 -6.005 4.116) 9.114 4.447 ( -0.738 -6.606 -4.161) 7.842 4.750 ( 6.245 -0.438 5.541) 8.360 4.864 ( -5.227 -2.856 -5.179) 7.893 5.163 ( -1.131 -5.383 -3.922) 6.756 5.328 ( -3.248 -9.168 -8.771) 13.097 5.652 ( -3.373 -0.719 4.001) 5.283 5.752 ( 7.124 2.977 -7.999) 11.118 5.789 ( 2.724 5.750 3.933) 7.480 5.820 ( -6.522 2.980 5.675) 9.144 6.056 ( -1.628 9.287 4.934) 10.641 6.262 ( 1.646 1.390 -0.540) 2.221 6.415 ( 2.522 -3.366 -5.385) 6.833 6.610 ( 3.882 7.726 2.372) 8.966 6.810 ( 1.989 -0.048 0.753) 2.127 6.849 ( 3.899 -0.485 2.316) 4.561 6.904 ( 8.593 -6.667 -5.970) 12.407 7.070 ( 1.018 4.044 -0.983) 4.284 7.150 ( 3.911 -3.549 2.204) 5.722 7.390 ( -1.744 1.224 2.910) 3.606 7.588 ( 1.176 -2.905 0.577) 3.187 7.735 ( -0.232 -3.320 8.481) 9.111 7.861 ( 2.433 -5.676 -6.607) 9.044 8.025 ( -1.908 -5.303 2.316) 6.093 8.306 ( -2.499 1.834 -5.075) 5.947 8.385 ( -4.602 5.645 -7.015) 10.112 8.513 ( -1.220 3.986 -1.326) 4.374 8.935 ( 5.141 1.288 -9.529) 10.904 9.118 ( -2.124 8.030 -0.698) 8.336 9.469 ( 0.501 1.228 -3.393) 3.643 9.514 ( -10.273 0.072 3.582) 10.880 9.875 ( -1.630 1.699 0.577) 2.424 10.681 ( -9.031 3.226 7.696) 12.296 11.067 ( 0.293 2.961 4.230) 5.172 11.383 ( -6.277 -6.393 -3.178) 9.506 12.079 ( 1.104 5.900 5.064) 7.853 12.381 ( -2.311 5.338 5.687) 8.135 12.387 ( 9.197 12.114 -4.857) 15.966 12.919 ( 4.582 -10.248 -3.725) 11.828 13.518 ( -0.073 -7.405 1.798) 7.620 13.793 ( -3.327 5.127 -7.953) 10.030 14.035 ( 1.289 1.964 -13.046) 13.256 14.221 ( 9.813 5.483 -3.558) 11.791 14.794 ( 9.641 -1.698 -14.739) 17.694 15.111 ( 3.392 -3.009 -0.147) 4.537 15.228 ( 3.890 2.880 0.188) 4.843 15.479 ( -3.811 0.739 7.011) 8.014 15.803 ( -4.734 -1.235 6.967) 8.513 16.012 ( -2.779 4.940 6.619) 8.714 16.096 ( -5.454 2.332 20.786) 21.616 16.478 ( -6.244 -5.348 -1.066) 8.290 17.048 ( 3.497 1.457 -2.637) 4.616 24.345 ( -0.854 0.744 0.023) 1.133 24.474 ( 0.541 -1.325 0.273) 1.457 24.523 ( -1.720 0.815 -0.442) 1.955 24.605 ( -0.153 -0.669 0.323) 0.759 25.823 ( 3.720 -1.408 2.289) 4.589 25.951 ( 0.110 3.719 -0.805) 3.806 26.147 ( -1.416 0.784 -0.249) 1.637 26.437 ( 8.429 2.466 0.656) 8.807 26.710 ( -1.454 4.069 5.516) 7.007 26.813 ( -0.009 4.817 2.390) 5.377 27.456 ( -0.614 -11.907 -9.388) 15.175 27.963 ( 1.143 -11.893 -21.373) 24.486 28.649 ( 1.749 -4.338 3.509) 5.847 28.919 ( 4.772 2.297 -2.051) 5.679 29.114 ( -14.123 1.215 23.536) 27.475 29.911 ( -11.057 8.567 0.973) 14.021 ======================= Grid point 98 (38/140) ======================= q-point: ( 0.44 0.11 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 243 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.563 ( -1.536 -0.864 1.327) 2.206 1.610 ( 7.136 -4.293 -2.387) 8.663 1.686 ( 1.241 -5.919 1.008) 6.131 2.043 ( -3.804 -2.638 3.063) 5.551 2.159 ( 8.719 -9.894 11.604) 17.566 2.400 ( -1.537 -4.786 3.153) 5.934 2.727 ( -8.594 -4.390 2.439) 9.954 2.883 ( -5.289 5.515 0.548) 7.661 2.987 ( 1.861 -5.776 3.105) 6.817 3.122 ( 1.293 0.388 -6.619) 6.755 3.274 ( 4.431 4.628 1.992) 6.710 3.344 ( 2.665 6.643 -4.798) 8.617 3.433 ( -3.664 -0.082 0.663) 3.724 3.760 ( 0.300 -7.734 3.076) 8.329 3.861 ( 2.943 -7.847 -2.720) 8.811 4.039 ( -1.156 6.983 1.487) 7.233 4.425 ( 6.746 -15.039 9.659) 19.105 4.548 ( 1.463 -5.295 -4.735) 7.252 4.806 ( -1.317 -0.139 3.336) 3.589 4.921 ( 3.252 -6.840 3.426) 8.312 5.244 ( -2.396 -3.793 -3.798) 5.878 5.406 ( -8.260 -6.311 -7.136) 12.609 5.581 ( -3.390 5.120 5.018) 7.930 5.717 ( -3.337 -0.931 1.459) 3.759 5.735 ( 3.321 3.263 1.464) 4.880 5.786 ( 1.224 3.531 0.638) 3.791 5.930 ( 5.551 6.306 1.642) 8.560 6.215 ( -2.326 3.050 1.224) 4.026 6.477 ( 2.925 3.990 -4.068) 6.405 6.554 ( 1.552 -5.339 -4.790) 7.339 6.805 ( -1.449 1.202 -0.070) 1.884 6.894 ( 2.917 0.578 3.556) 4.636 6.993 ( 1.251 -0.261 4.894) 5.058 7.092 ( 5.972 -2.849 0.044) 6.616 7.257 ( 4.189 -4.668 -3.538) 7.201 7.298 ( -4.949 5.728 3.104) 8.182 7.680 ( 2.680 -5.393 -0.873) 6.085 7.762 ( -1.735 0.335 4.815) 5.129 7.949 ( 2.340 -2.642 -0.910) 3.644 8.108 ( -3.527 -2.241 -0.456) 4.204 8.201 ( -1.722 5.016 -3.760) 6.501 8.223 ( -2.723 3.506 -1.565) 4.707 8.516 ( 2.680 -0.928 -5.977) 6.616 8.891 ( 7.139 9.120 -4.489) 12.421 8.996 ( -5.863 0.351 -3.902) 7.051 9.405 ( -1.209 2.799 -6.538) 7.214 9.522 ( -2.693 -3.706 3.546) 5.794 9.796 ( -2.563 5.052 0.685) 5.706 10.577 ( -4.020 2.744 7.085) 8.595 11.032 ( -2.416 0.719 3.605) 4.399 11.444 ( -5.099 -6.156 -2.001) 8.240 12.017 ( 2.695 3.315 2.621) 5.012 12.244 ( 3.008 9.673 -0.650) 10.151 12.277 ( 1.284 5.909 2.345) 6.485 13.108 ( 4.217 -7.347 -3.710) 9.248 13.595 ( -1.273 3.733 -4.841) 6.244 13.674 ( -3.983 -3.726 -4.552) 7.104 14.043 ( 2.651 -0.913 -9.585) 9.987 14.207 ( 10.334 5.013 -4.171) 12.220 14.844 ( 2.228 0.154 -7.808) 8.122 15.153 ( -2.151 -0.010 -1.055) 2.396 15.218 ( 6.089 2.257 1.330) 6.628 15.451 ( -0.941 -0.072 1.884) 2.107 15.781 ( -4.999 -0.250 0.037) 5.005 15.939 ( -1.305 2.194 13.967) 14.198 16.066 ( -2.999 0.607 17.726) 17.988 16.539 ( -4.213 -6.499 -1.445) 7.879 17.028 ( 2.785 3.394 -2.520) 5.062 24.333 ( 0.092 0.334 0.001) 0.346 24.485 ( -3.266 -0.495 -0.252) 3.313 24.512 ( 2.193 -0.046 0.101) 2.196 24.613 ( -0.578 -0.614 0.240) 0.877 25.854 ( 2.463 1.227 0.456) 2.789 25.922 ( 0.241 -0.335 0.596) 0.725 26.127 ( -1.346 0.197 0.166) 1.371 26.414 ( 5.706 6.754 0.489) 8.855 26.654 ( -2.015 0.651 5.902) 6.271 26.768 ( -1.067 1.113 5.577) 5.787 27.631 ( 0.877 -9.087 -10.955) 14.261 28.092 ( -0.218 -5.625 -17.360) 18.250 28.727 ( -0.594 -3.025 4.155) 5.174 28.904 ( 4.643 3.838 -0.933) 6.096 29.109 ( -4.286 -6.631 12.311) 14.625 29.671 ( -9.146 9.198 2.089) 13.139 ======================= Grid point 99 (39/140) ======================= q-point: ( 0.56 0.11 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 243 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.542 ( -3.179 0.962 1.687) 3.726 1.680 ( 3.680 -0.909 1.870) 4.227 1.811 ( 4.514 -5.261 -1.210) 7.037 2.025 ( -3.248 -1.818 0.023) 3.722 2.352 ( -3.890 -5.660 11.648) 13.522 2.467 ( -1.096 7.744 3.102) 8.414 2.711 ( -6.385 -0.053 -0.273) 6.391 2.852 ( 2.463 -11.184 1.562) 11.558 3.031 ( 3.081 3.844 -2.431) 5.493 3.069 ( -4.791 0.794 -1.003) 4.959 3.201 ( 6.379 6.360 2.468) 9.340 3.318 ( 4.855 0.806 -2.686) 5.607 3.395 ( -4.506 -1.577 -1.280) 4.943 3.832 ( 2.419 6.295 3.847) 7.764 3.963 ( -0.201 -3.580 -3.360) 4.914 3.984 ( -2.163 -4.342 0.037) 4.851 4.598 ( 0.973 -0.923 -7.143) 7.268 4.691 ( -0.426 0.421 8.694) 8.715 4.829 ( 6.106 -6.260 5.798) 10.492 5.103 ( 2.185 -0.520 2.414) 3.297 5.187 ( -2.470 -2.241 0.498) 3.372 5.419 ( -9.161 -4.835 -2.672) 10.698 5.542 ( 0.893 0.231 4.263) 4.362 5.693 ( -1.149 2.899 2.017) 3.714 5.725 ( -0.950 -0.892 -1.352) 1.878 5.752 ( 3.128 -1.765 2.184) 4.204 5.906 ( 7.653 4.368 0.307) 8.817 6.145 ( -4.578 1.280 0.966) 4.851 6.421 ( 1.154 2.242 -4.754) 5.381 6.674 ( -1.297 -4.725 -7.090) 8.619 6.762 ( -3.874 -0.540 0.388) 3.931 6.873 ( -1.067 2.067 4.014) 4.639 7.015 ( 0.353 2.754 5.338) 6.017 7.144 ( -0.724 -1.082 0.033) 1.303 7.189 ( 5.593 4.056 3.439) 7.717 7.345 ( 1.307 -2.308 -4.703) 5.399 7.707 ( -1.389 4.437 1.732) 4.961 7.804 ( 1.470 -6.618 -0.983) 6.851 7.934 ( -2.445 6.059 3.215) 7.282 8.024 ( -0.480 0.727 -6.299) 6.359 8.183 ( -0.341 -1.312 -0.133) 1.362 8.273 ( 5.310 -4.682 1.460) 7.229 8.525 ( 1.253 1.330 -8.652) 8.843 8.791 ( 1.256 4.247 -0.231) 4.435 8.961 ( -4.584 -0.456 -3.314) 5.675 9.372 ( -0.307 -0.392 -7.209) 7.226 9.562 ( 0.917 -0.904 0.830) 1.532 9.700 ( -2.216 2.179 2.223) 3.821 10.557 ( 2.074 -0.458 6.277) 6.626 11.008 ( -4.600 -0.699 3.982) 6.124 11.513 ( -2.129 -5.478 -1.811) 6.150 12.013 ( 3.572 0.701 1.151) 3.818 12.102 ( -0.358 7.216 -0.559) 7.247 12.211 ( 0.247 2.789 2.531) 3.774 13.188 ( 0.083 1.024 -4.260) 4.382 13.526 ( -0.035 -1.929 -8.584) 8.798 13.752 ( 1.093 -3.895 -0.918) 4.148 14.054 ( 0.151 0.074 -7.589) 7.591 14.195 ( 9.462 4.939 -5.645) 12.074 14.792 ( -6.625 3.185 -4.876) 8.821 15.099 ( -2.248 1.951 -2.821) 4.101 15.254 ( 6.282 0.160 3.257) 7.078 15.447 ( -0.717 1.171 -1.220) 1.837 15.767 ( -1.134 -2.132 -0.858) 2.563 15.937 ( -1.273 -0.502 14.900) 14.963 16.058 ( -2.648 0.000 17.764) 17.960 16.628 ( -1.827 -6.541 -1.778) 7.020 16.971 ( 1.567 4.730 -2.449) 5.552 24.334 ( 1.127 0.106 -0.073) 1.134 24.462 ( -3.432 -0.229 -0.140) 3.442 24.535 ( 2.262 -0.171 0.092) 2.271 24.620 ( -0.610 -0.748 0.154) 0.977 25.843 ( 1.340 1.292 -0.091) 1.864 25.933 ( -0.948 -0.391 0.448) 1.118 26.124 ( -0.584 -0.789 0.818) 1.278 26.327 ( 2.196 5.827 -0.143) 6.229 26.658 ( -1.263 -1.104 7.530) 7.714 26.756 ( -1.004 0.277 6.565) 6.647 27.748 ( 1.631 -4.390 -11.644) 12.550 28.131 ( 1.117 -1.030 -16.503) 16.573 28.759 ( -2.085 -1.728 3.366) 4.320 28.859 ( 2.827 4.558 0.724) 5.412 29.263 ( 0.757 -9.122 5.497) 10.677 29.484 ( -5.148 4.314 4.873) 8.298 ======================= Grid point 100 (40/140) ======================= q-point: (-0.33 0.11 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 243 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.510 ( -1.276 0.379 0.311) 1.368 1.706 ( 0.236 0.938 0.720) 1.206 1.896 ( 4.351 2.378 5.123) 7.129 2.086 ( 1.067 -3.742 -0.099) 3.893 2.203 ( -6.774 11.129 1.183) 13.082 2.290 ( -9.757 6.011 11.073) 15.936 2.679 ( 0.264 1.009 -5.037) 5.144 2.943 ( 2.241 4.842 -1.546) 5.555 3.041 ( 2.809 3.272 2.063) 4.781 3.124 ( 0.870 -5.938 1.215) 6.123 3.193 ( 5.248 -5.342 -1.999) 7.751 3.330 ( 1.455 1.634 -0.892) 2.363 3.441 ( -2.168 -6.767 1.617) 7.288 3.723 ( 3.694 7.039 -0.282) 7.955 3.928 ( -5.775 1.576 1.792) 6.248 4.081 ( -0.726 -4.020 0.775) 4.158 4.521 ( -0.623 10.787 -2.019) 10.992 4.585 ( -3.363 7.333 6.419) 10.309 4.919 ( -1.638 7.395 0.760) 7.612 4.943 ( 4.843 0.982 2.979) 5.770 5.354 ( -1.040 -5.456 -1.253) 5.694 5.451 ( -2.075 -0.156 0.992) 2.305 5.534 ( 1.429 -1.224 0.577) 1.967 5.642 ( -0.523 1.395 -1.598) 2.185 5.779 ( -1.419 -3.490 3.334) 5.031 5.863 ( 7.175 -5.654 1.564) 9.268 5.891 ( 4.067 1.661 1.793) 4.745 6.126 ( -5.369 -4.075 -0.148) 6.742 6.402 ( 0.130 0.273 -5.941) 5.949 6.616 ( -9.044 2.017 -1.505) 9.387 6.793 ( -1.739 -1.705 -3.015) 3.875 6.829 ( -0.650 2.704 2.828) 3.966 6.916 ( -2.525 4.637 6.658) 8.497 7.166 ( 2.057 0.310 -2.794) 3.483 7.224 ( 4.051 -0.798 -0.318) 4.141 7.349 ( 2.107 1.444 0.268) 2.569 7.612 ( -0.126 5.258 3.355) 6.238 7.792 ( -1.664 7.767 2.111) 8.219 7.896 ( 2.665 0.281 -5.070) 5.735 8.047 ( 1.188 -5.166 -3.898) 6.580 8.272 ( -1.761 -9.450 0.226) 9.616 8.383 ( 6.130 -0.602 2.119) 6.513 8.470 ( -0.735 3.227 -7.994) 8.652 8.778 ( -1.529 -2.876 -0.718) 3.335 8.933 ( -4.898 -1.680 -2.197) 5.625 9.379 ( -1.301 -1.774 -6.654) 7.008 9.579 ( 5.288 0.462 -1.143) 5.430 9.726 ( -0.504 -4.723 4.184) 6.330 10.628 ( 6.076 -2.784 5.588) 8.712 10.991 ( -6.294 -1.769 4.863) 8.148 11.607 ( 3.781 -5.275 -3.245) 7.257 11.949 ( -2.220 5.704 -2.574) 6.640 12.079 ( -0.095 -2.396 2.652) 3.576 12.193 ( -0.825 -1.311 3.390) 3.727 13.099 ( -2.463 5.663 -3.442) 7.070 13.615 ( 3.002 -5.235 -6.281) 8.711 13.816 ( 3.870 -2.004 -4.153) 6.020 14.023 ( -2.945 1.156 -8.239) 8.826 14.174 ( 7.905 4.344 -4.365) 10.021 14.637 ( -10.296 5.166 -7.296) 13.636 15.067 ( 0.146 0.659 -2.352) 2.447 15.278 ( 2.370 2.691 -0.584) 3.633 15.423 ( -0.204 -0.658 4.143) 4.200 15.823 ( 1.721 -2.568 2.754) 4.140 15.957 ( -2.522 -1.730 12.795) 13.156 16.070 ( -2.434 -1.528 17.036) 17.277 16.730 ( 1.125 -5.577 -1.613) 5.913 16.888 ( -0.406 4.938 -2.388) 5.500 24.346 ( 1.925 -0.010 -0.062) 1.926 24.441 ( -3.204 -0.456 0.056) 3.237 24.550 ( 1.711 0.324 -0.018) 1.741 24.630 ( -0.328 -0.808 0.032) 0.872 25.832 ( 0.929 1.237 0.112) 1.551 25.921 ( -2.419 -0.117 0.407) 2.456 26.143 ( -0.145 -1.431 0.862) 1.677 26.261 ( 0.318 2.851 -0.295) 2.883 26.678 ( -1.279 -1.204 8.386) 8.568 26.756 ( -0.770 -0.269 6.043) 6.097 27.772 ( 1.071 1.714 -10.406) 10.601 28.119 ( 4.533 2.396 -19.925) 20.574 28.758 ( 0.011 2.482 0.945) 2.656 28.808 ( -0.900 0.816 1.944) 2.292 29.300 ( -3.618 1.566 10.829) 11.525 29.587 ( 3.672 -13.031 2.343) 13.740 ======================= Grid point 101 (41/140) ======================= q-point: (-0.22 0.11 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 243 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.470 ( -1.622 7.894 -0.520) 8.075 1.608 ( -6.206 7.709 4.955) 11.068 1.753 ( 2.098 12.789 1.512) 13.047 1.886 ( -3.250 14.034 15.140) 20.898 2.191 ( -3.440 -5.355 1.320) 6.500 2.307 ( 0.706 -7.253 -0.733) 7.324 2.632 ( 5.252 5.964 -7.043) 10.619 2.850 ( 0.783 11.585 3.826) 12.225 2.989 ( -0.472 2.256 4.919) 5.432 3.118 ( 0.541 2.113 -1.640) 2.729 3.221 ( 0.518 5.666 -0.759) 5.740 3.396 ( -2.273 -7.515 1.652) 8.023 3.602 ( 10.173 -6.438 -4.088) 12.714 3.659 ( -2.705 1.381 -1.661) 3.462 3.838 ( 0.853 6.764 1.298) 6.940 4.098 ( -2.235 -0.575 2.456) 3.370 4.298 ( -5.860 8.352 11.813) 15.609 4.458 ( -3.364 3.841 1.333) 5.277 4.858 ( 4.102 4.624 0.100) 6.181 4.920 ( 1.869 2.162 -4.787) 5.575 5.351 ( -0.895 5.518 3.205) 6.444 5.376 ( -1.439 2.337 -4.957) 5.666 5.564 ( 0.988 0.943 -2.597) 2.934 5.630 ( -0.306 -0.131 -3.811) 3.826 5.786 ( -2.483 0.995 3.520) 4.421 5.917 ( -0.493 -2.252 4.021) 4.635 6.036 ( 7.307 -5.690 1.196) 9.338 6.198 ( -5.752 -8.494 -0.482) 10.270 6.394 ( 1.442 0.526 -5.167) 5.390 6.553 ( -4.876 -2.704 -0.872) 5.644 6.701 ( -1.622 7.739 0.213) 7.910 6.815 ( -1.509 -0.341 0.333) 1.583 6.863 ( -1.487 1.750 3.862) 4.494 7.138 ( -4.131 3.745 -2.780) 6.230 7.217 ( 5.606 3.177 -1.059) 6.530 7.373 ( 0.600 -1.511 3.248) 3.632 7.553 ( 0.379 1.954 4.524) 4.942 7.666 ( 0.159 5.518 3.732) 6.663 7.853 ( 5.055 5.096 -6.761) 9.861 8.176 ( 2.321 -4.974 -3.117) 6.312 8.327 ( -3.551 5.090 0.979) 6.283 8.416 ( -0.436 -3.809 -7.403) 8.337 8.475 ( 1.506 -6.434 0.953) 6.677 8.846 ( -3.308 -6.148 -6.128) 9.289 8.974 ( -0.100 -6.370 -0.004) 6.370 9.405 ( -1.802 -3.763 -6.786) 7.966 9.638 ( 7.436 -0.922 0.157) 7.495 9.817 ( -1.072 -5.145 5.804) 7.830 10.749 ( 7.834 -3.794 4.846) 9.962 10.981 ( -8.283 -3.033 6.344) 10.865 11.716 ( 12.718 4.504 -5.183) 14.454 11.875 ( -7.790 -6.943 -5.311) 11.709 12.105 ( -6.757 -3.516 9.173) 11.923 12.265 ( 2.546 -5.027 0.745) 5.684 12.974 ( -1.485 6.551 -0.897) 6.777 13.673 ( 1.868 0.548 -2.620) 3.265 13.860 ( 4.451 3.419 -7.306) 9.213 13.999 ( -3.108 -6.757 -14.248) 16.072 14.176 ( 6.375 1.635 -1.708) 6.799 14.452 ( -7.423 6.231 -11.635) 15.143 15.061 ( 0.700 0.616 -1.613) 1.863 15.222 ( -0.637 2.823 -0.515) 2.940 15.462 ( 1.290 -1.080 7.318) 7.509 15.855 ( 0.915 1.090 9.873) 9.975 16.000 ( -3.115 -4.618 9.146) 10.709 16.115 ( -2.854 -3.837 16.183) 16.875 16.787 ( 0.191 5.450 -0.764) 5.507 16.836 ( 0.759 -5.157 -2.383) 5.731 24.363 ( 1.860 -0.143 0.131) 1.870 24.430 ( -2.397 -0.918 -0.083) 2.568 24.550 ( 1.217 0.954 0.244) 1.566 24.640 ( -0.326 -0.483 -0.301) 0.656 25.805 ( -0.230 2.307 0.906) 2.489 25.917 ( -2.026 -1.620 0.112) 2.596 26.166 ( -0.598 -1.307 0.352) 1.480 26.230 ( 0.189 0.961 0.241) 1.009 26.697 ( -1.663 -1.403 8.157) 8.442 26.769 ( -0.320 -1.028 4.678) 4.800 27.686 ( 0.042 6.911 -8.762) 11.160 28.066 ( 7.870 7.000 -25.662) 27.739 28.682 ( 0.403 5.350 1.521) 5.577 28.823 ( -1.438 -2.343 0.127) 2.752 29.297 ( -3.831 -3.538 19.528) 20.212 29.871 ( 3.697 -14.981 0.675) 15.446 ======================= Grid point 102 (42/140) ======================= q-point: (-0.11 0.11 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 243 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.142 ( -4.134 21.952 9.449) 24.254 1.303 ( -3.661 23.577 14.081) 27.705 1.650 ( 0.874 0.546 -3.663) 3.805 1.773 ( -1.892 2.754 8.810) 9.423 2.144 ( -4.584 19.996 19.593) 28.368 2.311 ( 1.254 2.363 0.033) 2.675 2.570 ( 7.929 6.551 -5.430) 11.631 2.693 ( 0.344 -2.801 1.064) 3.016 2.981 ( 1.984 0.891 -0.277) 2.192 3.075 ( -0.251 1.928 1.082) 2.225 3.184 ( 2.897 1.310 -2.689) 4.164 3.455 ( 0.861 0.046 -1.427) 1.667 3.620 ( -7.955 -3.068 4.801) 9.785 3.647 ( 2.191 5.428 -6.211) 8.535 3.867 ( 9.089 -4.969 -1.886) 10.529 4.109 ( -2.562 1.713 6.182) 6.907 4.160 ( -6.270 0.384 6.039) 8.714 4.416 ( -1.227 0.494 3.010) 3.288 4.742 ( -1.222 7.383 0.642) 7.511 4.940 ( 2.157 -1.156 -9.421) 9.733 5.270 ( -5.185 3.873 2.514) 6.943 5.303 ( 12.059 5.674 -2.915) 13.642 5.448 ( 0.320 10.738 -14.418) 17.980 5.680 ( -1.645 -5.911 3.381) 7.006 5.748 ( -1.772 0.324 2.148) 2.803 5.998 ( 0.631 -6.411 3.709) 7.433 6.145 ( -0.008 -2.892 0.950) 3.044 6.283 ( -7.268 -6.551 -1.570) 9.910 6.392 ( 1.504 1.222 -1.723) 2.593 6.534 ( -1.914 4.802 2.912) 5.933 6.656 ( 3.940 -5.149 -3.157) 7.212 6.783 ( -0.305 5.316 -5.295) 7.509 6.807 ( -0.406 3.134 1.123) 3.354 7.009 ( -3.292 3.876 1.779) 5.387 7.208 ( 0.326 1.713 1.309) 2.180 7.387 ( -1.464 0.782 4.593) 4.884 7.543 ( 1.759 0.003 -1.154) 2.104 7.616 ( 2.734 3.895 7.237) 8.661 7.814 ( 5.689 3.600 -6.614) 9.438 8.115 ( -4.896 7.007 3.950) 9.417 8.290 ( 1.216 0.437 -7.391) 7.503 8.466 ( 1.951 -3.967 -4.604) 6.383 8.618 ( -0.679 -7.255 0.803) 7.331 8.903 ( -2.078 -3.974 -12.935) 13.690 9.124 ( 1.238 -8.717 1.486) 8.929 9.464 ( -1.098 -5.097 -5.416) 7.518 9.701 ( 4.075 -0.046 1.786) 4.449 9.909 ( -3.167 -7.363 8.966) 12.026 10.881 ( 8.558 -2.403 3.286) 9.477 10.987 ( -10.424 -5.733 9.156) 15.012 11.611 ( 1.549 9.486 -6.508) 11.607 12.061 ( 1.653 -11.819 -1.358) 12.011 12.152 ( -3.972 -7.628 5.908) 10.434 12.377 ( 2.324 -4.808 1.097) 5.452 12.840 ( -0.425 8.178 0.781) 8.226 13.642 ( -3.475 2.014 -2.690) 4.834 13.760 ( 5.172 9.307 -11.213) 15.463 14.129 ( -1.348 -5.404 -13.924) 14.997 14.187 ( -3.434 -3.708 -5.211) 7.259 14.336 ( 10.832 4.010 -12.065) 16.703 15.036 ( 0.516 2.784 -0.222) 2.840 15.195 ( -0.311 -0.009 0.526) 0.611 15.477 ( 1.071 1.460 9.489) 9.660 15.837 ( -0.349 2.229 12.166) 12.373 16.084 ( -2.381 -5.901 1.967) 6.661 16.208 ( -5.941 -9.752 25.546) 27.982 16.685 ( -4.115 3.923 -1.314) 5.835 16.927 ( 3.571 -3.028 -0.842) 4.757 24.379 ( 0.421 -0.579 0.410) 0.825 24.436 ( -0.664 -1.117 -0.630) 1.444 24.539 ( 1.214 1.316 1.016) 2.059 24.637 ( -0.993 0.286 -0.859) 1.344 25.760 ( -0.459 2.358 1.716) 2.953 25.937 ( -1.201 -2.002 -0.691) 2.435 26.179 ( -0.826 -0.983 0.346) 1.330 26.229 ( 2.086 0.519 0.966) 2.356 26.729 ( -1.414 -2.876 6.816) 7.532 26.796 ( 0.185 -1.675 3.444) 3.835 27.526 ( -0.918 9.631 -8.432) 12.834 27.916 ( 9.626 15.228 -30.676) 35.575 28.600 ( 0.171 4.362 2.444) 5.002 28.855 ( -0.204 -2.056 -1.495) 2.550 29.429 ( -7.610 -14.160 29.034) 33.187 30.139 ( -0.099 -13.150 0.196) 13.152 ======================= Grid point 105 (43/140) ======================= q-point: ( 0.22 0.22 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 135 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.044 ( 25.918 0.000 1.676) 25.972 1.186 ( 20.744 0.000 17.626) 27.221 1.589 ( -4.101 -0.000 -3.901) 5.660 1.649 ( 9.342 0.000 0.219) 9.344 1.965 ( 15.011 0.000 33.448) 36.662 2.385 ( 3.928 0.000 0.462) 3.955 2.476 ( -9.824 -0.000 3.652) 10.481 2.702 ( -8.956 -0.000 -1.420) 9.068 3.004 ( -5.328 -0.000 -1.327) 5.491 3.031 ( 4.451 0.000 -8.519) 9.612 3.228 ( -9.994 -0.000 1.338) 10.083 3.387 ( 9.096 0.000 1.367) 9.199 3.568 ( -0.185 -0.000 -1.009) 1.026 3.598 ( -1.499 -0.000 -1.345) 2.014 3.935 ( 3.073 0.000 3.523) 4.674 3.939 ( -10.252 -0.000 4.633) 11.251 4.185 ( 0.720 0.000 1.964) 2.092 4.299 ( -1.418 -0.000 -3.668) 3.933 4.786 ( -8.687 -0.000 -7.668) 11.587 4.898 ( 5.370 0.000 3.074) 6.187 5.060 ( 3.035 0.000 3.889) 4.933 5.098 ( 1.699 0.000 -19.295) 19.369 5.626 ( -6.970 -0.000 5.929) 9.150 5.857 ( -6.113 -0.000 -7.552) 9.716 5.870 ( 5.738 0.000 2.681) 6.333 5.903 ( -4.285 -0.000 6.218) 7.552 6.152 ( 0.882 0.000 3.590) 3.697 6.282 ( 2.644 0.000 4.649) 5.348 6.584 ( 2.532 0.000 -2.626) 3.648 6.701 ( 13.943 0.000 -18.397) 23.084 6.760 ( 2.150 0.000 0.542) 2.217 6.762 ( 7.264 0.000 0.468) 7.280 7.022 ( 7.269 0.000 -1.213) 7.369 7.076 ( 1.882 0.000 4.563) 4.936 7.270 ( 2.792 0.000 -3.745) 4.671 7.321 ( 7.746 0.000 0.927) 7.801 7.502 ( 8.440 0.000 -1.600) 8.590 7.572 ( -6.162 -0.000 0.394) 6.174 7.631 ( -0.772 -0.000 5.461) 5.515 7.967 ( -4.496 -0.000 4.304) 6.224 8.293 ( 2.042 0.000 -11.717) 11.893 8.448 ( -3.226 -0.000 -3.517) 4.772 8.727 ( -5.551 -0.000 -7.582) 9.397 8.847 ( 0.853 0.000 0.660) 1.079 9.282 ( -1.435 -0.000 6.052) 6.220 9.454 ( -16.455 -0.000 2.945) 16.717 9.604 ( -5.295 -0.000 0.267) 5.302 9.861 ( -0.554 -0.000 -1.580) 1.674 10.690 ( -9.814 -0.000 7.070) 12.095 11.193 ( 3.063 0.000 9.129) 9.629 11.243 ( -5.835 -0.000 -7.456) 9.468 12.286 ( -3.643 -0.000 14.136) 14.598 12.491 ( -1.132 -0.000 2.983) 3.191 12.547 ( 7.766 0.000 -5.568) 9.556 12.732 ( 9.686 0.000 -11.891) 15.337 13.312 ( 1.075 0.000 4.879) 4.996 13.913 ( 8.604 0.000 -5.006) 9.955 14.112 ( -5.675 -0.000 -8.458) 10.186 14.376 ( 8.383 0.000 -6.205) 10.430 14.722 ( 10.176 0.000 -23.954) 26.026 15.037 ( 3.090 0.000 1.790) 3.571 15.308 ( 7.085 0.000 -5.196) 8.786 15.474 ( -3.959 -0.000 13.008) 13.597 15.779 ( -4.204 -0.000 7.918) 8.965 16.089 ( -2.461 -0.000 0.207) 2.469 16.243 ( -16.804 -0.000 26.363) 31.263 16.362 ( -7.425 -0.000 0.297) 7.431 17.054 ( 4.321 0.000 -4.309) 6.102 24.374 ( -1.975 -0.000 -0.820) 2.139 24.428 ( 0.261 0.000 1.460) 1.483 24.548 ( -1.890 -0.000 -1.549) 2.444 24.592 ( 1.228 0.000 1.245) 1.748 25.784 ( 4.546 0.000 3.986) 6.046 26.087 ( -4.040 -0.000 -0.850) 4.129 26.175 ( -0.224 -0.000 -2.275) 2.286 26.468 ( 9.213 0.000 -4.624) 10.308 26.819 ( -0.982 -0.000 3.098) 3.250 26.999 ( 2.798 0.000 0.729) 2.892 27.299 ( -0.172 -0.000 -5.012) 5.015 27.424 ( 8.605 0.000 -20.432) 22.170 28.563 ( 1.992 0.000 4.779) 5.177 28.965 ( 5.376 0.000 -2.975) 6.145 29.190 ( -28.283 -0.000 34.373) 44.514 30.056 ( -11.224 -0.000 1.794) 11.366 ======================= Grid point 106 (44/140) ======================= q-point: ( 0.33 0.22 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 243 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.307 ( 19.931 -7.619 1.425) 21.385 1.440 ( 16.980 -7.135 11.183) 21.547 1.545 ( -2.791 0.531 -3.888) 4.815 1.750 ( 6.245 -4.501 6.723) 10.221 2.200 ( 3.288 -2.031 3.288) 5.074 2.344 ( -9.914 -0.170 3.047) 10.373 2.534 ( 14.260 -10.833 10.948) 20.990 2.637 ( -6.992 -0.951 4.252) 8.239 2.952 ( -6.177 0.410 0.866) 6.251 3.046 ( -6.823 -3.651 -5.797) 9.669 3.198 ( -0.582 -2.483 -4.600) 5.260 3.440 ( 9.576 2.781 2.067) 10.184 3.515 ( -1.048 3.823 -2.471) 4.671 3.620 ( 0.212 -2.661 -4.906) 5.585 3.822 ( -6.361 3.019 6.500) 9.583 4.067 ( 2.405 -7.361 6.270) 9.964 4.206 ( -0.693 -0.938 3.242) 3.445 4.307 ( -1.569 -3.925 -5.105) 6.628 4.722 ( -11.836 -3.269 -4.611) 13.116 4.895 ( 8.865 4.569 3.415) 10.542 5.065 ( -0.440 -2.516 -8.939) 9.296 5.194 ( 2.902 -5.223 -3.719) 7.039 5.594 ( -5.894 -1.557 5.180) 8.000 5.755 ( -8.806 2.138 -3.859) 9.850 5.861 ( -2.659 2.469 4.131) 5.498 5.906 ( 5.333 1.926 4.505) 7.242 6.157 ( 0.946 2.356 4.050) 4.780 6.308 ( 5.440 0.260 -0.515) 5.470 6.500 ( 3.403 8.986 -1.091) 9.671 6.740 ( 1.834 3.052 2.606) 4.412 6.808 ( 3.771 -2.169 -2.068) 4.817 6.867 ( 10.440 -4.602 -8.991) 14.527 6.964 ( 7.499 8.933 -1.204) 11.725 7.116 ( 0.619 0.068 4.192) 4.238 7.208 ( 6.181 4.469 -1.527) 7.779 7.388 ( 1.389 -0.744 1.202) 1.981 7.544 ( -2.794 -2.517 1.205) 3.949 7.664 ( 1.551 -5.207 7.925) 9.608 7.735 ( 3.632 -9.953 -8.573) 13.629 7.948 ( -3.187 -1.902 2.407) 4.423 8.291 ( -1.754 -0.151 -8.989) 9.160 8.416 ( -1.037 1.817 -6.106) 6.454 8.589 ( -4.154 6.829 -1.205) 8.084 8.912 ( 0.945 -4.066 -3.320) 5.334 9.224 ( -5.462 5.546 2.240) 8.099 9.361 ( -10.035 -3.728 5.892) 12.219 9.532 ( -4.037 2.627 -4.368) 6.502 9.871 ( 0.268 -0.269 -2.882) 2.907 10.636 ( -8.874 -0.667 6.983) 11.312 11.125 ( -2.999 4.658 0.732) 5.587 11.275 ( -0.154 -3.313 1.507) 3.642 12.206 ( 0.037 6.354 8.895) 10.932 12.444 ( -2.105 3.657 4.026) 5.832 12.625 ( 6.916 5.399 -4.761) 9.983 12.794 ( 7.675 -5.887 -8.803) 13.079 13.387 ( -0.751 -6.906 3.289) 7.686 13.896 ( 1.784 7.385 -6.570) 10.045 14.053 ( -0.375 0.652 -10.230) 10.258 14.402 ( 11.767 4.925 -3.453) 13.216 14.789 ( 4.702 -2.931 -16.469) 17.376 15.085 ( 2.722 -2.327 1.378) 3.837 15.327 ( 6.048 3.151 -2.564) 7.286 15.453 ( -5.299 -0.483 6.890) 8.706 15.755 ( -5.101 -0.580 4.963) 7.140 16.057 ( -2.473 1.976 3.427) 4.665 16.123 ( -7.685 3.441 23.683) 25.135 16.346 ( -6.082 -3.793 0.872) 7.221 17.082 ( 3.316 0.010 -4.189) 5.342 24.352 ( -0.967 0.665 -0.334) 1.220 24.445 ( -0.660 -1.354 0.958) 1.785 24.527 ( -1.043 0.500 -1.234) 1.691 24.600 ( 0.346 0.004 0.951) 1.012 25.839 ( 5.013 -1.002 4.188) 6.608 26.018 ( -2.335 3.759 -1.009) 4.539 26.154 ( -0.974 1.275 -1.114) 1.953 26.521 ( 6.930 0.498 -1.088) 7.033 26.769 ( -1.072 3.179 5.315) 6.285 26.994 ( 4.223 11.629 -1.799) 12.502 27.229 ( -1.781 -9.236 -7.168) 11.826 27.699 ( 1.861 -16.324 -18.382) 24.655 28.610 ( 2.462 -2.532 5.379) 6.435 28.989 ( 2.402 1.607 2.405) 3.760 29.036 ( -13.558 0.290 20.704) 24.750 29.927 ( -12.541 4.105 0.894) 13.226 ======================= Grid point 107 (45/140) ======================= q-point: ( 0.44 0.22 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 243 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.521 ( -2.461 -1.774 0.205) 3.041 1.578 ( 7.019 -7.927 -1.834) 10.746 1.643 ( 12.588 -1.907 2.363) 12.949 1.961 ( 7.068 -8.211 10.798) 15.296 2.152 ( 4.152 1.450 2.467) 5.043 2.275 ( -12.136 -3.507 3.097) 13.007 2.590 ( -8.884 -2.935 3.342) 9.936 2.819 ( -8.228 -4.261 2.987) 9.735 2.986 ( -0.567 1.394 1.094) 1.861 3.064 ( 3.542 -7.369 -5.026) 9.597 3.311 ( 5.584 -10.099 -2.512) 11.810 3.436 ( 1.535 3.156 -7.526) 8.304 3.457 ( 8.817 5.656 6.316) 12.232 3.669 ( -1.662 -3.398 -6.026) 7.115 3.766 ( -0.288 -2.031 6.289) 6.615 4.131 ( -3.036 3.273 3.819) 5.875 4.282 ( 6.052 -8.827 5.331) 11.956 4.416 ( -0.504 -8.951 -3.452) 9.607 4.722 ( -11.671 -7.853 -1.291) 14.126 4.907 ( 10.668 3.230 4.423) 11.991 5.134 ( -1.083 -6.103 -6.744) 9.159 5.274 ( -1.758 -3.290 -2.498) 4.490 5.572 ( -7.226 -0.451 3.499) 8.041 5.666 ( -6.049 -0.243 -0.145) 6.056 5.794 ( -2.509 2.754 1.738) 4.111 5.894 ( 3.125 4.505 6.171) 8.255 6.104 ( 7.190 6.289 1.284) 9.639 6.305 ( 3.890 7.053 -1.087) 8.128 6.442 ( 1.617 -2.895 -2.605) 4.217 6.663 ( 1.945 7.748 2.747) 8.448 6.811 ( -1.168 2.389 -1.089) 2.873 6.931 ( 4.894 -0.012 2.589) 5.537 7.004 ( 2.320 -0.621 1.762) 2.979 7.085 ( 4.464 -0.414 -3.687) 5.804 7.236 ( 1.868 -0.657 0.330) 2.008 7.368 ( 0.417 3.006 1.837) 3.547 7.608 ( 0.183 -5.253 1.084) 5.367 7.753 ( 3.786 -1.777 2.175) 4.714 7.885 ( 0.217 -5.963 -5.210) 7.921 8.003 ( -1.610 -5.494 0.467) 5.744 8.252 ( -1.450 1.721 -5.201) 5.667 8.294 ( -3.570 7.413 -3.754) 9.044 8.524 ( 1.966 0.399 -1.950) 2.798 8.943 ( -5.098 -0.036 -2.868) 5.850 9.069 ( -0.833 6.522 -3.200) 7.312 9.389 ( -5.084 -2.895 2.233) 6.262 9.473 ( 0.449 0.266 -4.350) 4.381 9.843 ( -1.969 2.681 -1.750) 3.758 10.581 ( -5.694 0.735 6.503) 8.675 11.030 ( -4.617 2.621 1.481) 5.511 11.334 ( -0.212 -3.451 1.686) 3.846 12.119 ( 2.170 5.308 5.207) 7.746 12.343 ( -3.401 5.795 5.724) 8.827 12.502 ( 6.328 11.438 -6.221) 14.476 12.989 ( 5.435 -9.437 -5.419) 12.164 13.516 ( -2.373 -8.276 0.662) 8.635 13.718 ( -1.867 9.926 -8.620) 13.279 14.055 ( 3.980 0.260 -8.656) 9.530 14.399 ( 12.935 6.101 -3.316) 14.681 14.834 ( -0.489 -1.219 -9.152) 9.246 15.134 ( -0.184 -0.991 0.645) 1.196 15.304 ( 1.655 2.522 4.239) 5.203 15.439 ( 0.548 -0.440 -2.746) 2.835 15.728 ( -5.460 -0.778 -0.004) 5.515 15.991 ( -2.330 3.240 11.657) 12.321 16.078 ( -2.624 1.034 18.171) 18.388 16.393 ( -4.147 -6.029 0.659) 7.347 17.088 ( 2.406 1.499 -3.888) 4.811 24.340 ( 0.188 0.250 -0.077) 0.322 24.450 ( -2.642 -0.597 -0.100) 2.711 24.524 ( 1.281 -0.258 -0.170) 1.318 24.600 ( -0.669 -0.141 0.651) 0.944 25.894 ( 4.087 -0.174 2.923) 5.028 25.944 ( -0.682 2.807 -0.242) 2.898 26.124 ( -1.190 0.857 -0.266) 1.490 26.558 ( 6.071 1.867 1.638) 6.559 26.700 ( -1.222 5.639 4.362) 7.233 26.814 ( -0.422 6.710 1.007) 6.799 27.430 ( 0.097 -12.867 -9.105) 15.763 27.919 ( -1.017 -11.088 -16.492) 19.899 28.684 ( 0.965 -2.742 6.340) 6.974 28.978 ( -7.695 -4.629 15.601) 18.001 29.009 ( 6.250 3.221 -2.015) 7.314 29.731 ( -11.367 6.882 0.753) 13.309 ======================= Grid point 108 (46/140) ======================= q-point: ( 0.56 0.22 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 243 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.527 ( -1.985 -0.615 1.903) 2.818 1.685 ( 1.400 -2.515 0.910) 3.018 1.770 ( 7.195 -2.969 -1.209) 7.877 1.992 ( -0.681 1.146 -0.905) 1.611 2.247 ( -2.046 -4.907 9.240) 10.660 2.461 ( 7.907 -14.360 7.201) 17.904 2.590 ( -8.126 -3.790 4.493) 10.029 2.758 ( -9.089 2.354 1.172) 9.462 2.918 ( -10.838 -3.869 3.776) 12.112 3.128 ( 2.669 1.231 -9.482) 9.927 3.355 ( 1.649 5.034 -1.925) 5.636 3.425 ( 8.215 6.686 4.964) 11.697 3.439 ( 4.196 3.304 -8.149) 9.744 3.764 ( 0.787 -9.099 -2.917) 9.588 3.894 ( 0.414 -5.839 3.196) 6.669 4.029 ( -0.168 6.129 0.732) 6.175 4.534 ( 4.103 -9.055 1.578) 10.066 4.600 ( 7.119 -12.845 0.392) 14.691 4.776 ( -3.795 -5.520 1.929) 6.970 4.991 ( 2.445 -6.911 4.900) 8.817 5.176 ( -4.877 0.202 -3.487) 5.998 5.271 ( -5.065 -0.929 -1.275) 5.305 5.548 ( -2.007 -1.809 5.497) 6.126 5.651 ( -4.322 -1.799 0.700) 4.734 5.748 ( -1.791 -0.004 1.043) 2.072 5.813 ( 1.607 6.995 4.372) 8.404 6.077 ( 10.147 5.318 -1.093) 11.508 6.182 ( -1.333 7.204 0.995) 7.393 6.519 ( 2.760 2.374 -1.863) 4.090 6.575 ( 2.007 -1.402 -3.063) 3.921 6.739 ( -4.826 2.239 -1.521) 5.533 6.917 ( -1.102 3.165 6.157) 7.010 7.049 ( 4.088 -1.980 3.909) 5.993 7.103 ( -5.885 1.205 -0.642) 6.041 7.271 ( 1.943 -4.144 -5.467) 7.131 7.337 ( 6.217 3.869 2.903) 7.878 7.704 ( -1.635 -4.694 3.256) 5.942 7.790 ( 7.054 1.564 -3.638) 8.090 7.927 ( -5.608 -1.900 0.916) 5.992 8.031 ( -4.605 1.571 -4.746) 6.797 8.179 ( 1.015 0.681 -1.446) 1.893 8.275 ( 6.979 -1.522 0.136) 7.145 8.535 ( 1.013 0.271 -4.547) 4.666 8.818 ( -11.383 3.291 -1.728) 11.974 9.010 ( 5.527 4.636 -3.637) 8.079 9.371 ( 0.290 0.589 -6.028) 6.063 9.519 ( 0.266 -3.582 1.118) 3.762 9.749 ( -3.153 4.920 -0.871) 5.908 10.557 ( -1.213 -0.810 5.793) 5.974 10.969 ( -4.876 0.313 2.585) 5.528 11.398 ( -1.071 -4.529 1.236) 4.816 12.075 ( 3.374 2.776 3.127) 5.373 12.210 ( -4.238 6.561 6.594) 10.222 12.348 ( 4.517 10.008 -6.492) 12.756 13.163 ( 4.132 -5.651 -4.696) 8.430 13.523 ( -4.333 3.639 -11.242) 12.586 13.654 ( 0.399 -5.068 1.818) 5.399 14.070 ( 3.271 0.693 -7.937) 8.612 14.388 ( 12.887 6.645 -3.701) 14.965 14.784 ( -7.138 2.612 -5.106) 9.157 15.114 ( -1.431 1.554 -0.340) 2.140 15.299 ( 1.469 -0.222 5.112) 5.324 15.458 ( 2.526 0.627 -5.994) 6.534 15.705 ( -3.911 -2.045 -2.790) 5.222 15.954 ( -1.015 1.311 15.074) 15.164 16.065 ( -2.231 0.685 17.623) 17.777 16.486 ( -2.098 -7.301 -0.035) 7.597 17.056 ( 1.518 3.557 -3.584) 5.273 24.345 ( 1.358 -0.108 -0.035) 1.363 24.431 ( -3.129 -0.131 -0.354) 3.152 24.546 ( 1.945 -0.455 0.237) 2.012 24.599 ( -1.226 -0.660 0.356) 1.437 25.888 ( 1.478 2.253 -0.193) 2.702 25.929 ( 0.216 0.325 1.399) 1.453 26.112 ( -0.371 -0.194 0.881) 0.975 26.488 ( 3.031 9.895 -0.776) 10.378 26.640 ( -1.092 -0.618 5.792) 5.926 26.762 ( -1.287 0.806 6.049) 6.236 27.625 ( 1.592 -9.659 -11.389) 15.018 28.044 ( -1.013 -6.672 -14.811) 16.276 28.722 ( -1.540 -1.416 6.319) 6.656 28.970 ( 3.035 4.345 0.325) 5.310 29.106 ( 1.537 -9.361 6.344) 11.412 29.533 ( -8.398 6.440 2.443) 10.862 ======================= Grid point 109 (47/140) ======================= q-point: (-0.33 0.22 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 243 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.513 ( -0.860 0.695 2.892) 3.097 1.721 ( 0.781 -0.183 0.961) 1.252 1.869 ( 0.406 -5.689 0.955) 5.782 2.032 ( 6.168 -3.723 -2.941) 7.781 2.240 ( -8.364 4.406 5.852) 11.118 2.486 ( -0.241 12.014 8.873) 14.938 2.623 ( -3.720 -4.553 -0.279) 5.886 2.849 ( -2.987 -12.732 3.764) 13.609 2.968 ( -7.470 -8.734 3.329) 11.965 3.109 ( 3.862 0.585 -5.151) 6.465 3.284 ( 3.104 4.894 0.108) 5.796 3.352 ( 4.748 6.512 -1.766) 8.250 3.420 ( 4.692 0.496 -4.968) 6.851 3.882 ( 1.297 2.795 5.744) 6.518 3.899 ( -5.119 1.223 -1.503) 5.474 3.962 ( -0.658 -3.521 -0.945) 3.704 4.600 ( 0.784 1.770 -3.150) 3.697 4.747 ( 6.067 2.778 1.708) 6.888 4.964 ( 7.569 -5.509 3.614) 10.035 5.039 ( -5.702 8.524 0.586) 10.272 5.203 ( -10.194 -17.239 0.670) 20.039 5.259 ( 1.202 -3.925 3.246) 5.233 5.584 ( 1.512 -0.080 1.890) 2.422 5.674 ( -2.812 -4.461 4.498) 6.931 5.705 ( -0.621 5.692 1.795) 6.000 5.794 ( 1.876 -5.294 -0.026) 5.617 6.032 ( -0.959 4.917 1.392) 5.200 6.074 ( 4.201 5.371 -1.376) 6.956 6.461 ( 4.123 4.128 -0.562) 5.861 6.581 ( -6.829 1.821 -4.065) 8.153 6.731 ( 0.699 -3.767 -3.652) 5.293 6.868 ( -0.828 2.206 5.292) 5.793 6.988 ( -4.081 4.891 4.308) 7.689 7.111 ( -1.363 -2.408 -3.967) 4.837 7.324 ( 3.082 1.273 3.990) 5.200 7.364 ( 6.766 -0.698 -5.284) 8.613 7.706 ( -0.881 2.348 3.892) 4.630 7.841 ( 4.229 -2.584 -4.293) 6.557 7.899 ( -2.751 4.644 4.454) 6.998 7.957 ( -5.647 -3.748 -3.904) 7.822 8.191 ( 2.146 0.026 -2.139) 3.030 8.400 ( 7.307 -4.629 -2.290) 8.947 8.499 ( -2.091 2.992 -3.630) 5.148 8.715 ( -7.163 -0.918 -1.795) 7.441 8.948 ( 2.163 5.330 -1.223) 5.880 9.371 ( 2.594 0.644 -6.645) 7.162 9.590 ( 1.605 -3.500 0.568) 3.892 9.664 ( -2.469 0.573 0.870) 2.680 10.603 ( 0.361 -3.676 5.239) 6.410 10.944 ( -2.805 -0.316 3.600) 4.575 11.486 ( -0.998 -6.804 -0.450) 6.892 12.057 ( -0.672 5.342 3.909) 6.653 12.097 ( 1.270 1.644 3.185) 3.803 12.218 ( 0.606 6.187 -4.621) 7.745 13.181 ( 0.774 4.552 -4.216) 6.252 13.524 ( 2.057 -5.823 -9.186) 11.069 13.738 ( -2.440 -5.146 -1.304) 5.842 14.054 ( 1.860 2.668 -7.262) 7.957 14.355 ( 9.740 7.402 -2.401) 12.467 14.645 ( -7.555 4.635 -6.201) 10.817 15.081 ( 0.087 1.302 -1.352) 1.879 15.340 ( 3.178 -0.796 4.210) 5.335 15.411 ( -2.792 2.694 -4.686) 6.084 15.755 ( -0.267 -5.182 -0.815) 5.252 15.950 ( -1.478 0.502 14.698) 14.781 16.059 ( -2.348 0.086 17.561) 17.718 16.607 ( -0.253 -7.548 -0.976) 7.615 16.983 ( 0.693 5.171 -3.011) 6.023 24.363 ( 2.453 -0.158 -0.053) 2.459 24.409 ( -3.181 -0.230 -0.099) 3.190 24.564 ( 1.287 0.009 0.250) 1.312 24.607 ( -0.863 -1.188 -0.018) 1.468 25.869 ( 1.932 1.486 -0.046) 2.438 25.910 ( -1.977 0.947 0.397) 2.228 26.124 ( 0.281 -0.917 1.319) 1.631 26.348 ( 0.302 6.751 -0.829) 6.808 26.659 ( -0.701 -1.017 7.566) 7.667 26.754 ( -1.172 0.081 6.697) 6.800 27.749 ( 1.911 -4.165 -11.798) 12.657 28.111 ( 1.150 -3.311 -15.982) 16.362 28.739 ( -1.366 -1.482 3.875) 4.368 28.900 ( 1.782 5.844 0.145) 6.111 29.288 ( 0.902 -4.828 4.593) 6.725 29.425 ( -3.535 -3.497 5.436) 7.367 ======================= Grid point 110 (48/140) ======================= q-point: (-0.22 0.22 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 243 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.511 ( 1.045 0.178 1.311) 1.686 1.689 ( -1.467 4.119 0.137) 4.375 1.975 ( -6.383 -5.655 0.093) 8.528 2.014 ( 0.305 13.550 5.741) 14.719 2.169 ( 3.065 -2.808 -2.197) 4.702 2.257 ( 1.329 10.998 12.984) 17.068 2.685 ( 2.051 -2.900 -3.426) 4.935 2.915 ( -3.655 -0.991 -0.097) 3.788 3.052 ( -1.586 -2.099 -1.922) 3.258 3.143 ( -1.184 2.003 3.261) 4.006 3.248 ( 0.988 -2.130 -2.283) 3.275 3.311 ( 0.781 2.103 0.714) 2.354 3.517 ( 7.766 -6.539 -4.012) 10.916 3.782 ( -2.509 4.840 10.729) 12.035 3.826 ( -1.296 3.049 -5.035) 6.027 4.056 ( -2.546 -5.210 1.532) 5.998 4.520 ( 1.900 8.349 -2.621) 8.955 4.587 ( 0.326 17.838 8.623) 19.815 4.900 ( -0.596 0.727 -1.055) 1.413 5.009 ( 0.806 3.818 0.796) 3.983 5.297 ( -2.437 -5.650 -2.196) 6.533 5.425 ( -0.264 -2.716 3.132) 4.154 5.570 ( -1.552 2.043 3.485) 4.328 5.643 ( 3.054 0.863 -5.105) 6.012 5.758 ( -2.413 -5.498 5.155) 7.913 5.901 ( -0.680 -1.663 1.126) 2.121 5.989 ( -1.493 -2.863 0.997) 3.379 6.035 ( 0.665 -1.501 -1.413) 2.166 6.445 ( 4.642 2.001 -1.740) 5.346 6.495 ( -2.510 1.042 -2.982) 4.035 6.777 ( 0.461 -0.111 -2.557) 2.601 6.816 ( -1.378 3.467 0.442) 3.757 6.901 ( -0.841 2.884 6.399) 7.069 7.118 ( -3.268 -1.299 -4.736) 5.899 7.339 ( 5.725 3.196 2.072) 6.876 7.368 ( -0.489 1.295 -0.575) 1.499 7.648 ( 2.968 5.537 4.273) 7.598 7.775 ( -1.018 6.488 4.079) 7.731 7.923 ( 2.023 -1.019 -5.837) 6.262 8.042 ( -0.078 -10.031 -3.125) 10.507 8.238 ( -1.077 -6.038 -2.952) 6.807 8.392 ( -5.982 4.024 -1.352) 7.336 8.498 ( 4.768 0.550 -3.284) 5.816 8.722 ( -3.013 -3.987 -3.363) 6.023 8.904 ( 1.405 -0.709 0.748) 1.743 9.366 ( 1.595 0.339 -6.685) 6.881 9.653 ( 3.410 -1.890 -0.090) 3.899 9.714 ( -1.892 -6.108 3.552) 7.315 10.689 ( -2.048 -6.055 5.480) 8.420 10.936 ( -0.005 0.621 4.297) 4.342 11.629 ( -0.082 -10.336 -3.506) 10.915 11.941 ( 1.881 7.336 -1.802) 7.785 12.061 ( -3.125 3.339 4.661) 6.530 12.200 ( 0.887 -3.827 0.531) 3.964 13.083 ( 1.400 6.282 -2.261) 6.822 13.647 ( 2.646 -4.848 -5.796) 8.006 13.797 ( -3.924 -6.020 -7.623) 10.476 13.993 ( 1.604 4.655 -7.120) 8.656 14.276 ( 0.092 5.940 -0.394) 5.954 14.527 ( 3.913 5.286 -9.916) 11.898 15.070 ( 0.629 0.259 -1.096) 1.290 15.292 ( 0.305 5.291 -4.104) 6.703 15.427 ( -1.019 -3.805 6.432) 7.543 15.847 ( 0.245 -4.606 3.448) 5.759 15.938 ( -3.302 0.330 12.040) 12.489 16.070 ( -2.528 -1.258 17.158) 17.388 16.726 ( -0.738 -5.757 -2.555) 6.342 16.894 ( 1.455 4.827 -1.353) 5.220 24.379 ( 0.382 0.438 0.213) 0.619 24.399 ( -0.314 -1.005 -0.159) 1.065 24.568 ( 0.421 0.293 0.414) 0.659 24.622 ( -0.529 -0.966 -0.483) 1.203 25.851 ( 0.386 2.385 0.482) 2.463 25.888 ( -0.652 -0.351 -0.056) 0.743 26.144 ( -0.045 -1.023 0.890) 1.356 26.266 ( 0.225 2.804 -0.134) 2.816 26.676 ( -1.412 -0.768 8.272) 8.427 26.756 ( -0.879 -0.521 5.917) 6.005 27.763 ( 0.936 2.442 -10.555) 10.875 28.144 ( 4.116 -0.125 -19.914) 20.336 28.761 ( 0.342 -0.566 1.060) 1.250 28.807 ( 0.059 4.692 0.918) 4.781 29.267 ( -3.701 1.474 11.859) 12.511 29.627 ( 0.450 -14.573 2.418) 14.779 ======================= Grid point 111 (49/140) ======================= q-point: (-0.11 0.22 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 243 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.452 ( 0.042 11.968 0.551) 11.981 1.570 ( -0.027 6.180 3.013) 6.875 1.767 ( -1.738 12.058 1.181) 12.240 1.882 ( -0.504 12.128 13.214) 17.943 2.135 ( -2.251 -3.578 0.915) 4.325 2.362 ( 4.450 -6.125 1.136) 7.656 2.721 ( 7.085 3.001 -4.030) 8.686 2.858 ( -0.475 10.507 4.610) 11.484 2.988 ( -1.130 3.015 6.083) 6.882 3.095 ( -2.321 0.106 -1.971) 3.046 3.249 ( 2.379 4.229 -2.684) 5.545 3.353 ( -2.699 -8.614 -1.552) 9.159 3.624 ( 0.157 4.010 -0.308) 4.025 3.744 ( 5.930 1.046 -4.728) 7.656 3.798 ( -6.192 -4.168 4.174) 8.551 4.073 ( -1.271 0.601 2.877) 3.202 4.272 ( -0.615 12.296 11.361) 16.753 4.444 ( 1.715 4.162 1.371) 4.706 4.882 ( -2.625 7.973 1.544) 8.534 4.924 ( 0.867 -0.888 -6.453) 6.571 5.304 ( -2.326 3.419 -1.504) 4.400 5.441 ( 7.868 1.016 0.293) 7.938 5.573 ( 0.010 -3.731 3.837) 5.352 5.602 ( -0.866 5.643 -10.672) 12.103 5.766 ( -1.104 2.533 2.629) 3.814 5.915 ( -1.473 -3.003 4.685) 5.756 6.009 ( -10.360 -6.189 -0.036) 12.068 6.168 ( 4.412 -6.749 -1.664) 8.233 6.438 ( 1.903 1.446 -2.414) 3.397 6.532 ( 2.701 -2.504 -2.086) 4.233 6.684 ( 0.690 4.946 -0.257) 5.001 6.815 ( 1.926 0.042 -0.837) 2.100 6.866 ( 0.966 2.494 3.245) 4.205 7.080 ( -2.285 3.398 -1.944) 4.533 7.253 ( -1.487 5.347 0.279) 5.557 7.384 ( -0.196 -1.163 3.427) 3.624 7.593 ( 3.554 3.823 0.818) 5.283 7.698 ( 1.649 3.199 9.655) 10.304 7.904 ( 2.901 3.023 -7.366) 8.474 8.192 ( -0.940 0.667 1.667) 2.027 8.274 ( -0.805 -0.113 -4.941) 5.008 8.373 ( -3.260 -9.704 -4.960) 11.375 8.494 ( 0.156 -0.737 -1.907) 2.051 8.782 ( -1.443 -6.030 -6.309) 8.846 9.001 ( 2.814 -6.439 -0.178) 7.029 9.388 ( 1.417 -2.573 -6.739) 7.351 9.697 ( -1.995 -1.502 2.584) 3.593 9.809 ( -0.003 -4.998 3.835) 6.300 10.785 ( -7.429 -7.807 7.348) 13.044 10.938 ( 3.874 0.740 3.579) 5.326 11.716 ( -8.458 2.815 -6.416) 10.983 11.927 ( 12.936 -5.708 -5.317) 15.106 12.026 ( -5.097 -3.216 8.338) 10.288 12.298 ( 0.685 -5.680 3.037) 6.477 12.984 ( 2.698 7.173 -0.458) 7.677 13.660 ( -2.378 2.434 -2.555) 4.256 13.881 ( -1.813 -1.687 -6.894) 7.325 13.944 ( 3.194 -3.492 -15.565) 16.269 14.162 ( -5.784 3.241 -1.417) 6.780 14.514 ( 15.626 4.009 -11.068) 19.564 15.073 ( 1.257 0.564 -0.675) 1.534 15.215 ( -0.069 2.864 -1.732) 3.347 15.482 ( -0.955 -2.134 7.765) 8.109 15.881 ( -1.360 1.961 13.861) 14.065 15.959 ( -3.433 -5.728 3.736) 7.652 16.100 ( -3.766 -2.773 17.503) 18.117 16.711 ( -5.362 3.349 -3.527) 7.239 16.910 ( 5.041 -2.671 0.034) 5.705 24.368 ( -1.638 -0.219 0.356) 1.691 24.425 ( 2.178 -0.714 -0.310) 2.313 24.562 ( -0.151 0.593 0.793) 1.002 24.626 ( -0.908 -0.239 -0.884) 1.290 25.807 ( 0.115 2.547 1.090) 2.773 25.902 ( 0.363 -1.213 -0.508) 1.364 26.158 ( -0.606 -0.809 0.392) 1.084 26.256 ( 2.752 -0.138 0.870) 2.889 26.687 ( -1.898 -1.287 7.507) 7.849 26.772 ( -0.637 -1.260 4.796) 5.000 27.665 ( 0.049 7.516 -9.623) 12.211 28.116 ( 5.403 5.351 -24.403) 25.560 28.699 ( 1.235 5.814 1.009) 6.029 28.815 ( 0.605 -2.506 -0.302) 2.596 29.253 ( -7.258 -3.056 20.105) 21.592 29.880 ( -2.702 -14.634 0.939) 14.911 ======================= Grid point 115 (50/140) ======================= q-point: ( 0.33 0.33 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 135 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.404 ( 17.598 0.000 -4.320) 18.120 1.483 ( 0.361 0.000 4.416) 4.431 1.593 ( 17.149 0.000 3.906) 17.588 1.768 ( 6.950 0.000 8.145) 10.707 2.194 ( 5.187 0.000 3.121) 6.054 2.298 ( -11.680 -0.000 1.625) 11.793 2.497 ( -1.627 -0.000 -7.000) 7.187 2.614 ( 5.301 0.000 15.987) 16.843 2.887 ( -17.749 -0.000 0.762) 17.765 2.951 ( 3.642 0.000 2.334) 4.326 3.183 ( 2.281 0.000 -13.788) 13.975 3.548 ( -1.525 -0.000 -4.203) 4.471 3.553 ( 5.457 0.000 -12.090) 13.264 3.586 ( 5.642 0.000 12.953) 14.128 3.806 ( -7.461 -0.000 4.431) 8.678 4.010 ( 3.856 0.000 6.055) 7.179 4.155 ( -6.842 -0.000 6.214) 9.243 4.284 ( 1.239 0.000 -5.276) 5.420 4.591 ( -12.327 -0.000 -3.940) 12.941 4.917 ( -2.131 -0.000 -1.690) 2.720 5.131 ( 4.417 0.000 2.789) 5.224 5.165 ( 9.483 0.000 -9.594) 13.490 5.537 ( -5.850 -0.000 6.418) 8.684 5.700 ( -9.468 -0.000 -2.596) 9.818 5.856 ( -4.481 -0.000 6.325) 7.751 5.959 ( 3.791 0.000 5.273) 6.494 6.172 ( 0.883 0.000 2.607) 2.752 6.392 ( 8.602 0.000 2.583) 8.981 6.612 ( 1.443 0.000 -2.605) 2.977 6.762 ( 0.480 0.000 2.128) 2.181 6.851 ( 7.189 0.000 -12.940) 14.803 6.867 ( 5.931 0.000 -0.155) 5.933 7.136 ( 3.958 0.000 5.979) 7.171 7.144 ( 8.042 0.000 -2.475) 8.415 7.302 ( 1.422 0.000 -1.624) 2.159 7.410 ( 1.791 0.000 0.394) 1.834 7.464 ( -6.616 -0.000 -0.146) 6.617 7.598 ( 2.810 0.000 -5.170) 5.884 7.682 ( 7.474 0.000 4.890) 8.932 7.912 ( -1.814 -0.000 1.396) 2.289 8.263 ( -2.297 -0.000 -8.848) 9.142 8.427 ( 1.609 0.000 -7.447) 7.619 8.633 ( -4.161 -0.000 -5.013) 6.515 8.862 ( 0.640 0.000 5.262) 5.301 9.199 ( -15.660 -0.000 4.560) 16.311 9.267 ( -3.070 -0.000 6.865) 7.521 9.504 ( -5.172 -0.000 -6.047) 7.957 9.879 ( 2.379 0.000 -5.807) 6.275 10.568 ( -7.431 -0.000 6.171) 9.660 11.150 ( -3.376 -0.000 -7.900) 8.591 11.256 ( 2.122 0.000 10.332) 10.547 12.272 ( -1.999 -0.000 12.448) 12.607 12.473 ( -1.907 -0.000 2.669) 3.281 12.680 ( 10.103 0.000 -6.468) 11.996 12.840 ( 7.060 0.000 -12.217) 14.111 13.304 ( -3.729 -0.000 3.655) 5.222 13.997 ( -4.382 -0.000 -9.418) 10.387 14.036 ( 8.179 0.000 -4.863) 9.516 14.543 ( 12.362 0.000 -2.311) 12.576 14.760 ( 0.996 0.000 -14.412) 14.446 15.086 ( 2.339 0.000 2.460) 3.394 15.389 ( -9.859 -0.000 9.494) 13.687 15.411 ( 7.387 0.000 -8.136) 10.989 15.712 ( -5.377 -0.000 2.209) 5.813 16.059 ( -2.505 -0.000 5.478) 6.024 16.126 ( -5.597 -0.000 21.261) 21.986 16.268 ( -4.495 -0.000 1.871) 4.868 17.101 ( 2.891 0.000 -5.000) 5.776 24.348 ( -0.967 -0.000 -0.489) 1.084 24.431 ( -0.449 -0.000 0.961) 1.061 24.520 ( -0.920 -0.000 -0.917) 1.299 24.606 ( 0.314 0.000 0.817) 0.875 25.880 ( 5.817 0.000 5.626) 8.093 26.020 ( -4.196 -0.000 -0.571) 4.235 26.162 ( -0.739 -0.000 -1.642) 1.800 26.572 ( 5.115 0.000 -1.611) 5.363 26.811 ( -0.975 -0.000 3.941) 4.060 27.037 ( 1.754 0.000 -0.363) 1.792 27.285 ( -0.068 -0.000 -4.775) 4.776 27.467 ( 2.881 0.000 -19.136) 19.351 28.616 ( 2.985 0.000 6.978) 7.589 28.924 ( -14.893 -0.000 22.780) 27.217 29.063 ( 7.496 0.000 -2.893) 8.035 29.862 ( -12.752 -0.000 0.278) 12.755 ======================= Grid point 116 (51/140) ======================= q-point: ( 0.44 0.33 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 243 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.475 ( -2.102 -1.422 -0.312) 2.557 1.537 ( 7.542 -2.844 -4.300) 9.135 1.756 ( 18.140 -0.335 7.008) 19.450 1.897 ( 6.572 -7.212 10.690) 14.474 2.147 ( -11.499 2.307 -0.666) 11.748 2.237 ( 3.468 2.792 -0.733) 4.512 2.486 ( -6.681 -2.826 0.100) 7.255 2.679 ( -10.549 -2.451 2.674) 11.155 2.829 ( -10.858 -8.610 0.975) 13.892 3.086 ( 17.993 -2.916 4.084) 18.680 3.211 ( 5.060 -5.319 -11.980) 14.051 3.476 ( -0.743 2.834 -7.552) 8.101 3.593 ( -2.034 -2.865 -6.398) 7.299 3.642 ( 10.931 4.324 7.116) 13.741 3.757 ( -2.873 0.182 6.414) 7.030 4.094 ( -1.614 -3.930 5.692) 7.103 4.153 ( -9.558 -7.527 7.854) 14.481 4.310 ( 3.780 -2.764 -5.350) 7.110 4.513 ( -10.415 -2.574 -1.405) 10.820 4.964 ( -0.712 -6.603 -1.443) 6.797 5.127 ( 9.628 4.676 -3.405) 11.232 5.238 ( 2.763 -1.137 -0.937) 3.132 5.507 ( -6.576 -0.392 5.130) 8.349 5.616 ( -6.860 0.424 -0.930) 6.935 5.811 ( -4.016 2.009 5.725) 7.276 5.975 ( 1.531 1.754 6.215) 6.636 6.205 ( 3.119 -1.111 0.911) 3.434 6.418 ( 7.709 3.033 -0.134) 8.285 6.528 ( 0.261 8.690 -0.660) 8.719 6.751 ( -0.176 2.413 2.191) 3.264 6.856 ( 2.595 1.539 -2.018) 3.630 6.975 ( 5.678 -3.299 -1.976) 6.857 7.086 ( 4.443 8.223 0.575) 9.364 7.146 ( 4.172 4.194 -2.688) 6.497 7.258 ( -1.129 3.027 1.296) 3.481 7.384 ( -1.637 -2.122 1.790) 3.223 7.507 ( -1.092 -4.803 1.796) 5.243 7.718 ( -3.567 -10.244 -7.414) 13.139 7.790 ( 12.078 -1.087 2.428) 12.368 7.925 ( -0.479 -2.201 -0.791) 2.388 8.243 ( -0.911 -0.749 -6.462) 6.569 8.388 ( -0.525 5.555 -7.579) 9.411 8.555 ( -0.461 2.470 -0.323) 2.533 8.906 ( -2.222 -0.986 1.866) 3.065 9.081 ( -8.896 0.387 2.581) 9.271 9.285 ( -4.036 -4.439 4.517) 7.510 9.468 ( -1.491 -0.195 -6.785) 6.950 9.872 ( 0.711 1.897 -5.140) 5.525 10.531 ( -6.203 -1.008 5.348) 8.252 11.071 ( -2.179 4.644 -3.604) 6.269 11.304 ( 1.471 -1.817 7.218) 7.588 12.229 ( 0.158 4.513 9.575) 10.586 12.417 ( -2.181 4.329 2.978) 5.689 12.715 ( 5.739 7.580 -7.203) 11.928 12.889 ( 6.687 -5.487 -8.276) 11.971 13.345 ( -5.451 -7.428 0.014) 9.213 13.876 ( 0.175 8.628 -7.163) 11.216 14.092 ( 5.615 0.502 -6.432) 8.553 14.593 ( 12.347 4.446 -2.908) 13.441 14.777 ( -1.849 -2.662 -9.312) 9.860 15.117 ( 0.276 -1.211 2.977) 3.226 15.305 ( -9.228 0.707 7.349) 11.817 15.460 ( 6.565 -0.130 -7.892) 10.267 15.673 ( -5.584 -0.354 -1.422) 5.773 16.030 ( -2.504 1.849 10.003) 10.476 16.104 ( -1.631 1.441 17.817) 17.950 16.278 ( -2.831 -3.863 2.610) 5.454 17.114 ( 1.979 0.224 -5.039) 5.419 24.342 ( -0.113 -0.002 -0.194) 0.224 24.427 ( -1.565 -0.161 -0.103) 1.577 24.522 ( 0.495 -0.622 0.071) 0.798 24.602 ( -0.278 0.546 0.641) 0.887 25.933 ( 5.124 0.106 5.404) 7.448 25.972 ( -3.108 1.562 -0.244) 3.487 26.140 ( -0.365 1.412 -0.916) 1.722 26.603 ( 3.684 0.153 0.707) 3.754 26.766 ( -0.880 3.008 5.717) 6.520 27.039 ( 2.108 15.621 -5.291) 16.627 27.191 ( -0.921 -11.751 -5.520) 13.016 27.670 ( -0.427 -14.297 -15.563) 21.138 28.666 ( 2.156 -1.629 8.663) 9.075 28.866 ( -8.861 -2.521 16.277) 18.703 29.105 ( 7.368 1.751 -2.541) 7.988 29.732 ( -11.234 3.584 -0.428) 11.800 ======================= Grid point 117 (52/140) ======================= q-point: ( 0.56 0.33 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 243 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.496 ( -0.616 -1.987 0.685) 2.191 1.625 ( 1.772 -3.625 -1.300) 4.240 1.835 ( 4.432 3.188 2.082) 5.843 2.047 ( 6.079 1.419 -1.135) 6.344 2.116 ( -6.365 -8.907 4.387) 11.793 2.278 ( 4.014 -7.647 7.725) 11.587 2.492 ( -3.109 -2.771 7.542) 8.616 2.642 ( -12.403 -4.980 3.280) 13.762 2.845 ( -5.929 -0.055 -0.830) 5.987 3.133 ( -0.414 0.162 -14.053) 14.060 3.408 ( 0.688 0.975 -4.289) 4.452 3.487 ( 8.632 -2.805 -5.592) 10.661 3.610 ( 3.638 2.006 9.540) 10.405 3.649 ( 4.552 -1.497 -10.716) 11.739 3.814 ( 5.528 -4.804 7.784) 10.688 4.088 ( -2.870 1.532 2.528) 4.120 4.290 ( -8.630 -17.244 7.280) 20.612 4.447 ( 3.240 -8.785 -4.495) 10.387 4.554 ( -4.387 -9.046 2.444) 10.346 5.061 ( 2.874 1.251 2.789) 4.195 5.111 ( 3.260 0.287 -6.499) 7.276 5.263 ( 1.517 -0.194 0.612) 1.648 5.470 ( -6.282 -2.877 6.435) 9.442 5.594 ( -3.294 -1.444 0.218) 3.603 5.746 ( -2.666 2.178 2.224) 4.099 5.933 ( -0.138 4.648 6.830) 8.263 6.222 ( 6.117 3.693 -1.240) 7.252 6.355 ( 0.028 10.221 0.756) 10.249 6.466 ( 3.911 -3.232 -2.219) 5.538 6.688 ( 0.949 4.998 1.997) 5.465 6.792 ( -0.720 6.630 1.494) 6.834 6.980 ( -0.534 4.986 3.402) 6.060 7.013 ( -2.345 -0.958 -1.125) 2.772 7.126 ( 1.732 1.991 1.461) 3.017 7.232 ( 1.581 -0.860 -4.779) 5.107 7.425 ( 3.890 -0.088 3.923) 5.526 7.599 ( -0.693 -5.920 2.461) 6.449 7.817 ( -6.984 -5.136 -3.894) 9.504 7.858 ( 4.640 -0.304 -7.126) 8.509 7.980 ( 2.474 -2.471 -1.336) 3.743 8.235 ( 0.497 4.099 -1.109) 4.276 8.297 ( 3.206 -0.220 -1.867) 3.716 8.544 ( 0.787 0.333 -2.700) 2.832 8.810 ( -7.289 4.913 -0.180) 8.792 9.070 ( 0.010 -0.700 -1.451) 1.611 9.352 ( -0.018 -3.912 -1.535) 4.203 9.475 ( 1.090 -1.381 -2.825) 3.327 9.808 ( -1.516 4.413 -3.629) 5.911 10.516 ( -4.528 -1.678 4.418) 6.545 10.976 ( -1.266 3.636 0.261) 3.859 11.350 ( 0.598 -1.784 5.040) 5.380 12.164 ( 1.576 4.381 6.597) 8.075 12.304 ( -2.863 6.637 4.031) 8.276 12.559 ( 2.685 11.224 -7.157) 13.579 13.066 ( 5.737 -8.474 -5.110) 11.438 13.423 ( -7.395 -6.491 -6.399) 11.738 13.722 ( 3.132 8.425 -3.206) 9.543 14.107 ( 4.431 1.093 -7.259) 8.574 14.596 ( 11.327 5.765 -2.893) 13.034 14.755 ( -6.069 1.058 -5.850) 8.496 15.119 ( -2.255 -0.044 3.648) 4.288 15.266 ( -4.745 -1.762 3.797) 6.328 15.503 ( 5.946 0.659 -7.037) 9.236 15.635 ( -5.020 -1.213 -4.730) 7.003 15.993 ( -1.153 2.006 14.269) 14.455 16.089 ( -1.099 1.403 16.625) 16.721 16.355 ( -0.901 -6.192 2.185) 6.628 17.106 ( 0.955 1.610 -4.762) 5.117 24.349 ( 0.711 -0.448 0.022) 0.840 24.412 ( -1.824 0.188 -0.642) 1.943 24.546 ( 1.352 -1.128 0.482) 1.825 24.588 ( -0.941 0.484 0.541) 1.188 25.926 ( -1.066 1.498 -0.162) 1.845 25.955 ( 1.855 1.467 2.935) 3.769 26.120 ( 0.871 0.842 1.275) 1.759 26.629 ( 1.712 -0.397 3.798) 4.185 26.695 ( -0.062 8.542 2.205) 8.822 26.801 ( -1.315 7.243 -0.167) 7.363 27.419 ( 1.305 -13.506 -9.008) 16.287 27.862 ( -1.476 -10.791 -14.356) 18.020 28.699 ( -1.529 -0.810 9.296) 9.456 28.930 ( -1.587 -6.965 9.772) 12.105 29.112 ( 5.977 2.961 -1.639) 6.869 29.574 ( -7.378 5.461 -0.065) 9.179 ======================= Grid point 118 (53/140) ======================= q-point: (-0.33 -0.67 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 243 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.519 ( 0.232 -0.367 3.190) 3.219 1.686 ( -1.705 -3.024 -0.495) 3.507 1.815 ( 0.279 -0.613 1.382) 1.538 2.060 ( 6.965 0.934 -2.173) 7.356 2.217 ( -2.210 -3.836 5.360) 6.952 2.454 ( -6.395 -9.071 2.403) 11.356 2.601 ( -7.379 -9.796 6.076) 13.687 2.656 ( 3.880 -1.836 7.166) 8.353 2.790 ( -2.255 -0.170 4.159) 4.734 3.103 ( -2.527 -0.322 -10.843) 11.138 3.367 ( 0.777 2.514 -3.940) 4.738 3.471 ( 0.582 3.227 -4.399) 5.487 3.554 ( 6.092 8.409 1.076) 10.439 3.778 ( 1.935 -8.059 -5.471) 9.931 3.878 ( -3.025 0.903 4.838) 5.777 4.038 ( 0.451 3.349 2.545) 4.230 4.583 ( -0.671 -5.155 -1.405) 5.385 4.682 ( -2.523 -27.982 2.014) 28.168 4.727 ( 4.433 -8.772 1.042) 9.883 5.000 ( -2.313 2.093 2.593) 4.056 5.102 ( -1.287 3.173 -2.828) 4.441 5.281 ( 4.596 1.673 4.100) 6.382 5.537 ( -1.310 -6.055 6.473) 8.960 5.592 ( -3.012 -1.251 0.208) 3.268 5.726 ( -0.507 -1.769 -0.395) 1.882 5.832 ( -0.967 6.838 5.556) 8.864 6.137 ( -1.111 8.953 1.037) 9.081 6.229 ( 3.361 5.299 -1.448) 6.440 6.536 ( 1.244 0.112 -2.960) 3.213 6.615 ( 3.811 5.024 0.790) 6.356 6.695 ( 0.114 1.019 -0.171) 1.039 6.907 ( -1.841 2.655 5.702) 6.553 6.985 ( -6.938 -0.465 -1.058) 7.033 7.113 ( 2.296 2.655 0.284) 3.522 7.270 ( 0.543 -3.467 -3.940) 5.276 7.461 ( 7.136 1.040 2.521) 7.639 7.669 ( -3.883 -2.002 3.522) 5.612 7.801 ( -7.727 -4.238 -1.355) 8.916 7.888 ( 0.692 -0.330 -8.713) 8.747 7.984 ( 3.613 4.285 -0.348) 5.615 8.218 ( 2.433 -0.280 1.056) 2.667 8.349 ( -0.015 -2.284 -1.027) 2.504 8.525 ( -0.671 1.336 -3.865) 4.144 8.698 ( 0.102 3.038 -1.226) 3.278 9.054 ( 1.232 3.446 -3.469) 5.043 9.405 ( 4.732 -0.590 -4.413) 6.497 9.518 ( -0.646 -3.235 0.758) 3.385 9.702 ( -1.778 4.842 -2.481) 5.724 10.529 ( -4.296 -3.163 3.847) 6.577 10.943 ( 1.764 0.557 2.809) 3.364 11.395 ( -0.340 -3.124 2.893) 4.272 12.127 ( 1.305 1.810 5.145) 5.608 12.161 ( -2.760 7.237 4.360) 8.889 12.377 ( 1.021 10.301 -6.947) 12.467 13.218 ( 3.553 -3.010 -3.482) 5.815 13.434 ( -2.831 -3.699 -11.710) 12.603 13.665 ( 0.502 0.223 0.220) 0.592 14.106 ( 3.306 1.791 -7.345) 8.251 14.529 ( -1.719 7.142 -1.321) 7.463 14.679 ( 3.172 3.451 -5.866) 7.509 15.108 ( 0.134 1.039 2.162) 2.402 15.281 ( -4.175 -3.595 1.963) 5.849 15.474 ( 0.089 4.006 -7.077) 8.133 15.664 ( 0.306 -4.374 -2.883) 5.248 15.974 ( -0.962 1.361 15.470) 15.560 16.074 ( -1.698 1.224 17.082) 17.210 16.477 ( 1.002 -7.396 0.935) 7.522 17.059 ( -0.040 3.557 -4.257) 5.547 24.365 ( -0.155 -0.850 0.076) 0.868 24.396 ( 0.107 0.396 -0.505) 0.651 24.573 ( 0.179 0.253 0.407) 0.511 24.580 ( -0.085 -1.313 0.299) 1.349 25.904 ( 0.578 0.901 0.058) 1.072 25.925 ( -1.025 2.168 0.696) 2.497 26.125 ( 1.362 0.155 2.449) 2.807 26.492 ( -1.937 10.365 -2.408) 10.816 26.653 ( 0.817 -0.358 6.237) 6.300 26.755 ( -1.369 0.446 6.401) 6.561 27.632 ( 2.648 -9.804 -11.565) 15.391 27.997 ( -0.610 -7.752 -14.272) 16.253 28.710 ( -1.705 -1.197 6.691) 7.008 28.992 ( -0.409 2.400 1.578) 2.902 29.174 ( 4.300 -7.458 4.270) 9.610 29.438 ( -3.138 5.423 2.107) 6.610 ======================= Grid point 119 (54/140) ======================= q-point: (-0.22 0.33 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 243 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.529 ( 1.715 0.292 3.456) 3.869 1.703 ( -3.356 -1.411 0.130) 3.643 1.853 ( -0.735 -2.203 -0.282) 2.339 2.095 ( -0.714 -0.478 0.881) 1.231 2.233 ( 5.975 2.307 5.008) 8.130 2.489 ( -0.904 6.982 7.140) 10.027 2.596 ( 0.074 -5.051 -0.327) 5.062 2.804 ( -2.295 -6.455 0.098) 6.852 2.881 ( -3.414 -10.694 3.711) 11.823 3.092 ( -2.666 -1.872 -4.174) 5.294 3.329 ( 1.734 3.302 -1.649) 4.078 3.393 ( -3.709 5.949 1.758) 7.228 3.503 ( 8.897 0.469 -6.429) 10.987 3.781 ( -7.878 3.174 4.289) 9.515 3.929 ( 2.181 -5.852 -2.228) 6.631 3.975 ( 2.613 5.203 2.652) 6.397 4.607 ( -0.106 1.417 1.366) 1.971 4.836 ( 2.268 -0.581 -1.506) 2.783 4.932 ( -8.605 6.319 3.402) 11.205 5.009 ( -2.169 -1.624 0.412) 2.740 5.133 ( 6.093 -14.249 -2.325) 15.671 5.312 ( 1.977 -3.972 5.972) 7.440 5.598 ( -0.266 0.556 0.496) 0.791 5.608 ( -4.415 -3.627 3.162) 6.531 5.731 ( 1.656 3.225 4.940) 6.128 5.795 ( -1.835 -5.204 -0.170) 5.521 5.999 ( 0.921 4.079 0.217) 4.187 6.125 ( -2.832 7.397 -0.523) 7.937 6.494 ( 1.708 3.182 -2.335) 4.300 6.578 ( 7.033 3.998 -0.985) 8.150 6.750 ( 2.470 -3.245 -2.673) 4.876 6.860 ( -1.650 2.452 2.415) 3.816 6.947 ( -1.744 1.100 4.883) 5.300 7.067 ( -2.479 0.593 -5.015) 5.626 7.324 ( -1.935 -2.369 1.648) 3.474 7.476 ( 4.120 4.846 -2.862) 6.975 7.679 ( -2.656 -4.815 6.331) 8.386 7.842 ( -3.545 -1.506 -5.287) 6.541 7.877 ( -1.560 -3.631 1.789) 4.338 7.932 ( 5.291 4.616 -2.455) 7.438 8.232 ( 2.636 1.062 -0.937) 2.992 8.337 ( -8.799 -1.112 -1.879) 9.066 8.506 ( -0.613 -0.232 -4.337) 4.386 8.710 ( 7.557 0.337 -1.952) 7.812 8.965 ( 0.378 5.542 -2.223) 5.983 9.417 ( 4.183 3.090 -5.530) 7.591 9.586 ( -2.926 -6.262 1.971) 7.187 9.651 ( 1.466 0.170 -0.207) 1.490 10.562 ( -5.771 -4.749 4.221) 8.583 10.972 ( 4.354 0.333 4.338) 6.155 11.477 ( 0.048 -6.581 -0.714) 6.620 12.028 ( -2.781 5.179 3.764) 6.980 12.141 ( 1.863 -0.411 5.781) 6.087 12.202 ( -0.866 8.405 -7.163) 11.077 13.198 ( 2.059 4.772 -3.343) 6.180 13.546 ( 3.575 -8.029 -9.773) 13.144 13.676 ( -4.291 -2.641 -2.551) 5.647 14.075 ( 2.591 3.456 -6.691) 7.964 14.355 ( -8.265 6.760 -1.650) 10.804 14.666 ( 10.827 4.289 -6.461) 13.317 15.089 ( 1.048 1.488 0.669) 1.938 15.313 ( -6.609 -3.209 -0.930) 7.405 15.401 ( 2.194 2.878 -1.773) 4.030 15.751 ( -0.008 -5.233 -0.320) 5.243 15.957 ( -1.836 1.606 14.374) 14.579 16.063 ( -2.254 0.355 17.604) 17.751 16.617 ( 1.770 -6.855 -0.716) 7.116 16.978 ( -0.546 4.612 -3.212) 5.647 24.362 ( -2.429 -0.328 -0.089) 2.452 24.410 ( 3.266 -0.140 -0.041) 3.270 24.566 ( -1.304 -0.187 0.317) 1.355 24.605 ( 0.812 -0.847 -0.089) 1.177 25.875 ( -2.130 1.701 0.135) 2.729 25.904 ( 2.152 0.669 0.213) 2.264 26.136 ( 0.518 -0.198 1.883) 1.963 26.332 ( -1.798 5.711 -1.538) 6.181 26.668 ( -0.550 -0.241 7.878) 7.901 26.750 ( -1.109 -0.075 6.622) 6.714 27.756 ( 2.264 -3.337 -11.662) 12.339 28.096 ( 1.593 -5.214 -16.275) 17.163 28.734 ( -0.451 -1.817 3.801) 4.237 28.907 ( -0.981 5.452 0.289) 5.547 29.320 ( 1.995 4.166 4.463) 6.423 29.397 ( -1.519 -10.991 5.536) 12.400 ======================= Grid point 120 (55/140) ======================= q-point: (-0.11 0.33 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 243 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.541 ( 2.127 0.927 1.515) 2.771 1.671 ( -1.030 3.423 -1.069) 3.731 1.822 ( -7.670 1.998 2.053) 8.187 2.087 ( 2.846 1.461 0.827) 3.304 2.208 ( 2.333 10.340 8.190) 13.395 2.362 ( 6.868 4.662 6.512) 10.551 2.733 ( 4.523 -6.450 -2.497) 8.264 2.865 ( -1.881 -3.047 -1.193) 3.774 3.006 ( -2.300 -5.496 -2.738) 6.557 3.110 ( -2.866 1.067 4.150) 5.155 3.233 ( -1.989 1.271 -0.488) 2.410 3.311 ( -2.030 1.754 -5.165) 5.821 3.573 ( -3.050 -2.048 2.090) 4.227 3.725 ( 1.161 -1.980 4.889) 5.400 3.895 ( 5.340 7.261 -2.262) 9.293 4.018 ( -2.277 -3.563 0.927) 4.328 4.558 ( 2.317 5.035 2.436) 6.055 4.623 ( 1.744 20.739 6.639) 21.845 4.876 ( -2.828 -2.680 -0.399) 3.917 4.974 ( -2.482 4.479 0.078) 5.122 5.314 ( 3.581 -3.185 -4.103) 6.309 5.434 ( -2.373 -6.790 5.349) 8.964 5.534 ( 0.698 1.807 2.034) 2.808 5.678 ( 1.357 0.402 -6.685) 6.833 5.746 ( -0.499 -3.707 5.970) 7.045 5.817 ( -6.749 -3.495 0.834) 7.646 5.934 ( -6.211 5.948 1.874) 8.802 6.084 ( 5.069 -5.986 -1.676) 8.021 6.458 ( 0.868 1.899 -3.952) 4.470 6.592 ( 9.430 2.310 -2.892) 10.130 6.766 ( -1.253 4.182 -0.681) 4.418 6.827 ( 3.154 -0.838 -0.773) 3.354 6.919 ( 1.342 2.134 5.594) 6.136 7.066 ( -2.348 -1.825 -1.178) 3.199 7.326 ( -3.809 0.192 -0.792) 3.895 7.377 ( -1.520 4.892 1.433) 5.319 7.711 ( 2.988 2.991 6.052) 7.383 7.779 ( -0.210 5.220 5.126) 7.319 7.932 ( 0.992 -0.504 -5.921) 6.024 8.041 ( 0.940 -13.984 -5.931) 15.218 8.237 ( 1.211 -0.394 -1.266) 1.795 8.276 ( -7.295 0.535 -0.082) 7.315 8.500 ( -0.652 -0.406 -7.469) 7.509 8.723 ( 1.964 1.538 -0.618) 2.570 8.956 ( 4.914 -2.445 -2.318) 5.958 9.386 ( 2.209 1.475 -6.406) 6.935 9.646 ( -4.233 -2.134 2.607) 5.411 9.714 ( 0.822 -5.759 1.897) 6.119 10.612 ( -6.887 -5.925 5.715) 10.733 10.993 ( 3.826 1.322 4.424) 5.996 11.603 ( -1.731 -6.632 -4.118) 7.996 11.964 ( -0.538 0.430 3.188) 3.262 12.043 ( 2.301 6.557 -4.047) 8.042 12.210 ( -0.544 -4.482 4.702) 6.519 13.125 ( 3.933 5.837 -1.893) 7.288 13.659 ( -2.243 -0.669 -1.180) 2.621 13.707 ( -1.253 -7.922 -13.123) 15.380 14.025 ( 4.084 3.847 -7.132) 9.074 14.185 ( -6.780 5.025 -2.488) 8.798 14.684 ( 13.182 3.435 -7.460) 15.531 15.085 ( 1.738 0.168 0.784) 1.914 15.262 ( -3.196 2.289 -4.798) 6.203 15.428 ( -0.182 -2.729 5.294) 5.959 15.838 ( -2.155 -5.484 1.192) 6.012 15.920 ( -2.325 2.291 13.902) 14.280 16.067 ( -2.805 -0.689 17.509) 17.745 16.701 ( -1.521 -0.923 -3.024) 3.509 16.919 ( 1.944 0.621 -1.053) 2.297 24.349 ( -1.920 -0.260 0.039) 1.938 24.440 ( 3.318 -0.192 0.034) 3.324 24.557 ( -1.910 -0.147 0.234) 1.930 24.619 ( 0.347 -0.225 -0.336) 0.533 25.836 ( -1.128 1.177 0.243) 1.648 25.910 ( 2.131 0.763 0.062) 2.264 26.143 ( -0.412 -0.440 0.968) 1.141 26.270 ( 0.611 0.531 -0.091) 0.815 26.671 ( -1.574 -0.075 8.052) 8.204 26.756 ( -0.879 -0.608 6.009) 6.103 27.755 ( 1.182 3.297 -10.902) 11.451 28.155 ( 2.869 -1.294 -18.967) 19.226 28.777 ( 1.262 -2.479 1.278) 3.062 28.807 ( -0.521 5.269 0.871) 5.366 29.243 ( -2.416 4.060 10.757) 11.749 29.613 ( -2.845 -13.274 2.970) 13.896 ======================= Grid point 125 (56/140) ======================= q-point: ( 0.44 0.44 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 135 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.434 ( -3.335 -0.000 -0.758) 3.420 1.572 ( 6.403 0.000 -3.150) 7.136 1.850 ( -4.023 -0.000 9.399) 10.224 1.885 ( 10.181 0.000 4.234) 11.026 2.178 ( 0.207 0.000 -0.049) 0.212 2.273 ( 7.302 0.000 -3.439) 8.071 2.404 ( -1.412 -0.000 -3.636) 3.900 2.592 ( -17.814 -0.000 4.177) 18.297 2.646 ( -3.417 -0.000 2.033) 3.976 3.142 ( -2.619 -0.000 -20.072) 20.242 3.250 ( 23.900 0.000 9.513) 25.723 3.506 ( -1.626 -0.000 -7.738) 7.907 3.514 ( -2.748 -0.000 -7.907) 8.371 3.711 ( -6.537 -0.000 3.876) 7.600 3.797 ( 12.240 0.000 7.860) 14.546 3.958 ( -18.854 -0.000 11.971) 22.334 4.069 ( 1.710 0.000 7.223) 7.423 4.313 ( 3.252 0.000 -5.418) 6.319 4.453 ( -3.118 -0.000 -1.862) 3.632 4.872 ( -2.510 -0.000 -0.868) 2.656 5.192 ( 1.858 0.000 1.434) 2.347 5.300 ( 8.812 0.000 -6.092) 10.713 5.475 ( -3.528 -0.000 6.855) 7.709 5.562 ( -7.227 -0.000 -1.057) 7.304 5.814 ( -2.106 -0.000 8.338) 8.600 5.997 ( -0.758 -0.000 5.368) 5.421 6.191 ( 0.759 0.000 1.884) 2.031 6.524 ( 6.187 0.000 1.330) 6.328 6.609 ( -1.136 -0.000 -1.880) 2.196 6.774 ( 0.283 0.000 3.752) 3.763 6.915 ( 4.960 0.000 -8.053) 9.458 6.950 ( 4.414 0.000 -1.629) 4.706 7.219 ( 4.286 0.000 6.650) 7.911 7.252 ( 6.271 0.000 -4.973) 8.003 7.260 ( -6.565 -0.000 2.689) 7.094 7.354 ( -7.965 -0.000 -4.143) 8.979 7.417 ( 0.840 0.000 0.644) 1.058 7.560 ( -3.592 -0.000 -2.041) 4.131 7.906 ( 0.434 0.000 -3.431) 3.458 7.911 ( 16.493 0.000 3.749) 16.914 8.211 ( -1.249 -0.000 -6.717) 6.832 8.437 ( 1.732 0.000 -10.096) 10.244 8.573 ( -2.486 -0.000 -2.580) 3.583 8.896 ( 1.506 0.000 8.471) 8.604 9.002 ( -9.527 -0.000 5.228) 10.867 9.203 ( -5.866 -0.000 3.482) 6.822 9.446 ( 0.172 0.000 -7.348) 7.350 9.894 ( 1.299 0.000 -6.828) 6.951 10.483 ( -4.666 -0.000 4.398) 6.412 11.104 ( -0.071 -0.000 -7.751) 7.752 11.307 ( 0.888 0.000 11.716) 11.750 12.280 ( -0.565 -0.000 11.930) 11.944 12.446 ( -2.073 -0.000 1.912) 2.820 12.824 ( 9.615 0.000 -6.877) 11.821 12.893 ( 3.143 0.000 -12.970) 13.345 13.207 ( -8.675 -0.000 0.633) 8.698 13.955 ( 1.358 0.000 -5.880) 6.035 14.142 ( 6.328 0.000 -5.466) 8.362 14.712 ( -3.033 -0.000 -8.649) 9.165 14.729 ( 10.815 0.000 -3.021) 11.229 15.102 ( -3.550 -0.000 4.875) 6.030 15.237 ( -8.433 -0.000 5.280) 9.950 15.500 ( 5.887 0.000 -6.772) 8.974 15.624 ( -5.539 -0.000 -3.416) 6.508 16.041 ( -1.545 -0.000 11.506) 11.609 16.132 ( -0.198 -0.000 15.941) 15.943 16.229 ( -1.198 -0.000 3.168) 3.387 17.122 ( 1.332 0.000 -5.587) 5.743 24.341 ( 0.103 0.000 -0.056) 0.117 24.415 ( -1.447 -0.000 -0.686) 1.601 24.521 ( 0.947 0.000 0.879) 1.292 24.606 ( -0.407 -0.000 0.291) 0.500 25.953 ( -4.126 -0.000 0.355) 4.141 25.988 ( 5.740 0.000 7.077) 9.112 26.149 ( -0.319 -0.000 -1.557) 1.589 26.633 ( 2.982 0.000 0.230) 2.991 26.808 ( -0.608 -0.000 4.822) 4.860 27.046 ( -0.395 -0.000 -2.044) 2.081 27.279 ( 0.735 0.000 -4.224) 4.288 27.436 ( -1.120 -0.000 -19.321) 19.353 28.680 ( 1.110 0.000 11.202) 11.257 28.798 ( -5.468 -0.000 13.785) 14.830 29.174 ( 6.088 0.000 -2.234) 6.485 29.682 ( -8.172 -0.000 -1.608) 8.329 ======================= Grid point 126 (57/140) ======================= q-point: (-0.44 -0.56 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 243 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.443 ( -1.416 -3.180 -0.789) 3.569 1.611 ( 3.290 -0.416 -1.472) 3.628 1.820 ( -14.207 -2.684 4.669) 15.193 1.961 ( -0.804 -5.339 2.935) 6.145 2.137 ( 10.361 4.033 -0.898) 11.154 2.284 ( -0.345 3.086 0.565) 3.156 2.450 ( -10.069 1.092 5.867) 11.705 2.501 ( 6.201 -4.602 3.547) 8.498 2.742 ( 0.741 -8.631 -2.866) 9.124 3.093 ( -4.344 -0.361 -18.852) 19.349 3.403 ( -3.490 -0.703 0.126) 3.562 3.483 ( 1.761 -1.986 -3.799) 4.634 3.557 ( 3.551 -4.070 -7.719) 9.421 3.702 ( 1.960 -1.706 6.140) 6.667 3.850 ( 3.736 -2.265 6.750) 8.041 3.940 ( -7.027 -6.095 9.304) 13.157 4.092 ( -0.981 -0.350 6.050) 6.139 4.355 ( 1.643 -3.323 -3.949) 5.416 4.454 ( 2.152 -2.594 0.728) 3.448 4.935 ( -1.622 -7.756 -1.913) 8.152 5.238 ( 1.364 -4.057 0.639) 4.328 5.284 ( 4.065 7.493 -4.143) 9.478 5.426 ( -2.903 2.126 6.156) 7.130 5.543 ( -2.697 -2.129 1.022) 3.585 5.788 ( 0.059 2.913 5.996) 6.667 5.981 ( -2.467 1.277 5.991) 6.604 6.239 ( 0.742 -3.589 0.112) 3.667 6.503 ( -1.539 9.246 -0.763) 9.404 6.525 ( 3.506 2.740 0.349) 4.463 6.760 ( 0.534 2.416 3.134) 3.993 6.895 ( 3.251 3.525 -1.454) 5.011 7.000 ( -4.758 2.368 1.723) 5.586 7.102 ( -2.214 7.842 -0.383) 8.157 7.172 ( 0.948 2.419 -3.962) 4.738 7.266 ( 4.751 2.554 -2.275) 5.854 7.379 ( 0.125 -6.660 4.994) 8.325 7.515 ( 0.589 -4.869 2.658) 5.579 7.612 ( -6.994 -8.851 -4.440) 12.123 7.862 ( -4.341 2.249 -7.409) 8.877 8.038 ( 13.952 0.673 0.813) 13.992 8.251 ( 3.868 -3.485 -2.460) 5.758 8.369 ( -0.022 6.327 -6.415) 9.010 8.547 ( -1.041 0.152 -1.374) 1.731 8.861 ( -1.532 4.561 2.857) 5.595 9.009 ( -2.265 -4.013 3.110) 5.559 9.234 ( -2.636 -7.030 1.186) 7.601 9.464 ( 2.612 -1.440 -4.784) 5.638 9.866 ( 0.291 3.110 -6.317) 7.047 10.463 ( -3.392 -0.756 3.377) 4.846 11.056 ( 1.507 4.496 -4.004) 6.206 11.337 ( -0.009 -1.202 9.467) 9.543 12.256 ( 0.314 3.708 10.586) 11.220 12.390 ( -1.901 4.510 1.883) 5.244 12.756 ( 1.387 10.403 -9.546) 14.187 12.972 ( 5.768 -6.390 -5.425) 10.175 13.226 ( -7.966 -7.845 -4.921) 12.215 13.896 ( 3.593 7.620 -4.159) 9.395 14.162 ( 4.456 1.676 -6.130) 7.762 14.676 ( -4.907 0.673 -6.814) 8.424 14.781 ( 7.652 1.930 -3.892) 8.799 15.067 ( -7.967 -1.681 5.589) 9.876 15.215 ( -1.636 -0.990 3.128) 3.666 15.538 ( 2.513 -0.111 -4.818) 5.435 15.579 ( -2.965 -0.520 -6.076) 6.781 16.035 ( -0.221 1.534 14.563) 14.646 16.133 ( 0.320 1.706 13.951) 14.059 16.268 ( 0.609 -3.942 3.718) 5.453 17.121 ( 0.372 0.377 -5.601) 5.626 24.346 ( 0.464 -0.239 0.178) 0.551 24.402 ( -1.135 -0.003 -1.091) 1.574 24.539 ( 1.310 -0.763 1.235) 1.956 24.595 ( -0.670 0.720 0.139) 0.993 25.920 ( -3.394 0.115 0.638) 3.455 26.015 ( 3.427 2.461 4.988) 6.533 26.145 ( 1.251 0.326 0.756) 1.498 26.647 ( 1.648 0.665 1.648) 2.423 26.766 ( -0.838 2.817 6.422) 7.063 27.023 ( -2.121 15.914 -8.477) 18.155 27.184 ( 1.532 -12.026 -4.885) 13.070 27.619 ( -1.469 -13.930 -15.076) 20.579 28.684 ( -3.531 -0.302 11.147) 11.697 28.839 ( 2.059 -4.228 11.923) 12.817 29.188 ( 1.893 1.833 -1.524) 3.044 29.610 ( -1.776 3.167 -2.165) 4.227 ======================= Grid point 127 (58/140) ======================= q-point: (-0.33 -0.56 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 243 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.498 ( -0.172 -3.033 1.620) 3.443 1.638 ( -0.259 -0.998 -1.843) 2.112 1.773 ( -7.805 -3.789 3.761) 9.456 2.072 ( 0.435 -6.437 -0.275) 6.458 2.186 ( 3.809 0.640 2.068) 4.381 2.237 ( -7.863 -4.576 4.209) 10.024 2.419 ( -4.856 -3.689 4.235) 7.424 2.631 ( 7.684 -3.381 7.414) 11.200 2.861 ( 7.383 -0.570 -1.169) 7.497 3.048 ( -4.489 -0.915 -13.822) 14.561 3.368 ( -4.964 -0.921 -4.381) 6.684 3.480 ( -3.976 -0.645 -7.614) 8.614 3.658 ( -2.469 -8.294 -0.211) 8.656 3.672 ( -4.006 3.806 5.401) 7.727 3.922 ( 3.310 4.012 4.029) 6.580 4.059 ( -0.518 -0.338 3.265) 3.324 4.202 ( 2.756 -20.261 3.098) 20.681 4.456 ( -0.390 -8.480 -0.288) 8.494 4.601 ( 5.752 -9.005 0.829) 10.717 5.010 ( -5.570 -0.489 0.204) 5.595 5.164 ( 2.367 4.228 -4.163) 6.388 5.346 ( 5.033 -4.045 -1.085) 6.548 5.421 ( 0.124 -1.952 9.835) 10.027 5.557 ( -1.474 -1.280 0.031) 1.952 5.743 ( 1.898 3.069 1.845) 4.053 5.920 ( -3.188 4.103 6.566) 8.373 6.268 ( -2.592 0.412 -2.583) 3.682 6.305 ( -1.898 10.853 0.175) 11.019 6.542 ( 3.607 -1.720 0.112) 3.998 6.717 ( 2.127 3.611 1.637) 4.499 6.799 ( 0.386 8.701 5.524) 10.313 6.911 ( -6.523 -0.566 -1.147) 6.648 6.949 ( -4.229 4.609 1.301) 6.389 7.191 ( 3.135 2.312 -3.845) 5.474 7.262 ( 4.250 1.167 -0.107) 4.408 7.472 ( 0.455 -3.480 5.295) 6.352 7.614 ( 1.476 -4.619 2.418) 5.418 7.665 ( -10.300 -3.829 -4.454) 11.858 7.798 ( -5.860 -2.678 -8.388) 10.577 8.101 ( 8.320 2.249 -5.309) 10.123 8.246 ( -0.607 3.905 2.342) 4.594 8.353 ( 5.571 -0.354 1.092) 5.688 8.529 ( -1.954 0.688 -2.923) 3.583 8.788 ( 4.977 4.355 -1.599) 6.804 9.058 ( -0.466 -2.451 -3.365) 4.189 9.351 ( -0.813 -6.369 -0.461) 6.438 9.513 ( 4.628 -0.653 -1.316) 4.856 9.782 ( -0.353 5.381 -4.783) 7.208 10.459 ( -3.040 -1.246 2.640) 4.215 11.002 ( 4.072 3.057 0.666) 5.135 11.363 ( -0.871 -1.216 6.313) 6.488 12.195 ( 0.166 4.406 8.026) 9.157 12.275 ( -1.599 6.879 2.557) 7.511 12.554 ( -1.105 10.949 -7.553) 13.347 13.138 ( 3.019 -7.815 -1.432) 8.499 13.292 ( -4.876 -6.984 -10.874) 13.813 13.772 ( 3.452 8.436 -2.539) 9.462 14.155 ( 3.499 1.774 -7.008) 8.031 14.558 ( -10.945 4.305 -4.288) 12.519 14.797 ( 8.512 2.891 -4.617) 10.106 15.076 ( -4.343 -4.011 4.786) 7.606 15.219 ( -1.149 -0.091 0.036) 1.153 15.492 ( -5.186 1.245 -5.934) 7.979 15.623 ( 4.558 -2.267 -3.602) 6.236 16.018 ( -0.227 2.223 16.440) 16.591 16.115 ( -0.212 2.197 14.571) 14.737 16.374 ( 2.577 -6.186 2.797) 7.261 17.096 ( -0.762 1.739 -5.284) 5.615 24.350 ( -0.700 -0.169 0.098) 0.726 24.403 ( 1.182 -0.424 -0.864) 1.524 24.560 ( -0.504 -0.388 0.884) 1.089 24.582 ( 0.747 0.046 0.321) 0.814 25.901 ( -2.171 -0.352 0.636) 2.290 25.975 ( 0.488 3.697 1.428) 3.993 26.154 ( 2.220 0.852 3.499) 4.231 26.619 ( -3.556 4.845 0.988) 6.091 26.713 ( 0.994 5.602 3.553) 6.707 26.776 ( -1.549 4.934 0.421) 5.189 27.433 ( 3.076 -13.856 -9.195) 16.912 27.809 ( -0.951 -11.123 -14.931) 18.643 28.680 ( -3.106 -1.229 8.276) 8.924 28.963 ( 2.263 -4.641 9.539) 10.846 29.152 ( -1.189 0.940 1.013) 1.823 29.543 ( 4.461 5.695 -1.443) 7.377 ======================= Grid point 128 (59/140) ======================= q-point: (-0.22 -0.56 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 243 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.542 ( 1.238 -1.422 3.327) 3.824 1.637 ( -3.067 -1.242 -1.682) 3.712 1.834 ( 1.031 -3.724 2.691) 4.709 2.112 ( -0.740 2.089 3.211) 3.902 2.214 ( -0.925 -4.521 4.335) 6.331 2.352 ( -7.638 -13.257 1.673) 15.391 2.496 ( -1.253 -7.005 1.410) 7.254 2.744 ( 5.412 -2.238 3.005) 6.583 2.883 ( 9.128 4.956 3.715) 11.031 3.029 ( -3.139 -1.911 -7.827) 8.647 3.339 ( -3.684 0.338 -5.824) 6.900 3.454 ( -0.984 1.734 -0.130) 1.998 3.556 ( -6.753 1.627 -0.577) 6.971 3.807 ( 2.710 -1.049 -0.089) 2.908 3.847 ( -1.688 -0.901 0.053) 1.914 4.050 ( 0.431 1.149 3.790) 3.983 4.497 ( -6.184 -11.429 4.430) 13.729 4.665 ( -2.080 -15.201 -1.197) 15.389 4.803 ( 3.907 -7.466 0.170) 8.428 4.928 ( -6.501 -1.082 3.431) 7.430 5.157 ( 7.684 2.491 -5.232) 9.624 5.393 ( 7.922 4.102 2.310) 9.215 5.514 ( -3.680 -5.743 6.955) 9.741 5.581 ( 1.794 -2.161 -0.334) 2.828 5.734 ( 1.341 -0.657 -0.103) 1.497 5.814 ( -2.278 5.202 5.672) 8.026 6.112 ( -2.569 7.869 0.552) 8.296 6.191 ( -4.961 4.966 -2.454) 7.437 6.583 ( 3.056 2.403 -1.011) 4.017 6.687 ( 4.597 2.686 0.026) 5.324 6.725 ( 2.975 -0.162 2.770) 4.068 6.877 ( -3.387 1.113 1.129) 3.740 6.895 ( -4.055 -2.558 2.653) 5.479 7.119 ( -0.444 5.161 -5.454) 7.522 7.287 ( 1.239 -0.045 3.172) 3.406 7.551 ( 2.476 -4.479 3.276) 6.077 7.565 ( -8.683 2.553 -3.157) 9.586 7.716 ( -2.499 -5.711 0.083) 6.234 7.823 ( -3.721 -4.285 -4.756) 7.405 8.077 ( 4.043 5.398 -5.073) 8.439 8.211 ( -0.606 -0.032 2.809) 2.874 8.357 ( 2.851 3.981 3.228) 5.865 8.494 ( -2.074 0.625 -5.080) 5.523 8.798 ( 9.866 1.524 -3.388) 10.542 9.047 ( -0.581 3.431 -5.480) 6.491 9.437 ( -0.963 -5.178 -1.003) 5.362 9.529 ( 2.183 2.671 -1.522) 3.771 9.696 ( 1.841 3.507 -1.225) 4.146 10.466 ( -3.117 -2.126 3.172) 4.929 11.023 ( 6.035 0.345 3.823) 7.152 11.395 ( -0.235 -3.177 2.087) 3.809 12.107 ( -2.793 5.783 2.851) 7.026 12.176 ( 0.882 3.462 5.861) 6.863 12.351 ( -2.310 9.857 -5.921) 11.728 13.222 ( -3.197 -2.257 -2.627) 4.714 13.420 ( 5.069 -8.857 -9.999) 14.287 13.671 ( 0.748 4.725 -2.578) 5.434 14.135 ( 2.151 2.304 -6.978) 7.656 14.378 ( -10.848 5.162 -3.689) 12.567 14.804 ( 7.786 3.039 -5.231) 9.860 15.120 ( -0.783 -1.850 5.470) 5.827 15.200 ( -3.864 -0.698 -4.050) 5.641 15.432 ( -2.835 0.710 -3.734) 4.742 15.696 ( 3.517 -2.496 -1.207) 4.478 15.993 ( -1.216 2.131 15.704) 15.894 16.089 ( -1.342 2.031 16.397) 16.577 16.519 ( 3.809 -6.867 1.154) 7.937 17.034 ( -1.784 3.410 -4.595) 5.994 24.342 ( -1.471 -0.058 -0.134) 1.478 24.430 ( 3.041 -0.599 -0.375) 3.122 24.549 ( -1.905 -0.024 0.335) 1.934 24.603 ( 1.457 -0.636 0.455) 1.654 25.886 ( -2.352 0.955 0.103) 2.541 25.929 ( 1.061 1.313 0.923) 1.924 26.154 ( 1.232 1.133 3.019) 3.452 26.429 ( -4.808 8.417 -3.292) 10.237 26.681 ( 0.504 0.988 6.856) 6.945 26.750 ( -1.007 0.200 6.227) 6.311 27.656 ( 3.558 -9.218 -11.116) 14.872 27.963 ( 0.853 -8.816 -16.009) 18.295 28.699 ( -1.540 -2.079 5.598) 6.167 28.968 ( -2.935 3.311 1.344) 4.624 29.226 ( 0.594 -7.897 8.271) 11.451 29.472 ( 6.778 7.629 0.343) 10.211 ======================= Grid point 129 (60/140) ======================= q-point: (-0.11 -0.56 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 243 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.572 ( 1.939 0.036 2.539) 3.195 1.637 ( -3.384 -1.841 0.295) 3.864 1.856 ( 0.650 3.034 -0.266) 3.115 2.081 ( -1.323 -0.028 3.467) 3.711 2.303 ( -0.417 -4.592 7.900) 9.147 2.493 ( -0.927 -2.484 4.539) 5.257 2.628 ( 4.274 -7.152 -3.218) 8.931 2.799 ( 1.560 -1.978 -3.781) 4.543 2.901 ( 5.913 -1.511 2.639) 6.649 3.045 ( -1.976 -3.304 -1.579) 4.161 3.267 ( -8.778 3.136 -2.000) 9.533 3.333 ( -2.234 6.095 1.869) 6.756 3.613 ( 5.347 -4.583 -4.106) 8.152 3.671 ( -7.185 5.490 4.383) 10.049 3.959 ( 2.233 -3.380 -1.627) 4.366 4.034 ( 3.365 3.092 1.415) 4.784 4.585 ( -3.309 -3.850 3.322) 6.067 4.783 ( -6.887 -3.069 -0.723) 7.575 4.836 ( -2.839 1.851 7.512) 8.241 5.023 ( 0.134 -4.749 -0.253) 4.758 5.219 ( 5.331 -4.178 -5.327) 8.617 5.367 ( 4.230 3.046 4.591) 6.947 5.557 ( -1.542 -2.539 5.911) 6.615 5.611 ( 1.054 -1.079 -3.034) 3.388 5.734 ( -1.936 0.569 1.770) 2.684 5.795 ( 1.798 -0.006 3.023) 3.517 5.993 ( -7.637 6.034 1.458) 9.842 6.071 ( 3.680 1.309 -3.047) 4.954 6.522 ( 0.186 4.675 -3.149) 5.640 6.697 ( 6.775 1.563 -2.412) 7.359 6.794 ( 2.697 -1.254 -0.458) 3.010 6.839 ( -0.109 0.721 0.994) 1.233 6.943 ( -1.455 -4.030 5.483) 6.958 7.030 ( -0.154 3.046 -2.603) 4.010 7.272 ( -4.672 -0.004 3.295) 5.717 7.442 ( -5.447 3.864 -4.075) 7.824 7.678 ( -1.396 -6.242 6.531) 9.141 7.800 ( -0.024 -6.799 -1.996) 7.086 7.874 ( 0.497 -2.829 -1.148) 3.093 7.985 ( 2.008 5.595 -6.737) 8.985 8.222 ( -0.852 -0.122 2.088) 2.259 8.294 ( 1.808 4.388 2.736) 5.478 8.472 ( -0.585 -0.715 -8.077) 8.130 8.819 ( 3.449 5.073 -2.039) 6.465 8.973 ( 2.671 1.155 -4.392) 5.269 9.450 ( 0.994 4.563 -5.683) 7.355 9.535 ( -3.044 -6.030 0.524) 6.775 9.686 ( 1.887 0.450 2.817) 3.420 10.496 ( -2.365 -3.333 4.645) 6.187 11.051 ( 2.841 1.610 5.422) 6.330 11.489 ( 2.260 -6.086 -2.489) 6.952 12.000 ( -1.252 3.937 1.531) 4.406 12.145 ( -2.951 3.151 -3.322) 5.447 12.187 ( 0.469 4.021 4.832) 6.304 13.209 ( -0.409 0.942 -3.265) 3.422 13.594 ( 3.625 -3.097 -12.007) 12.919 13.619 ( 0.464 -2.729 -0.388) 2.795 14.097 ( 1.908 2.538 -6.415) 7.158 14.212 ( -7.593 4.772 -4.492) 10.030 14.809 ( 6.401 2.022 -5.613) 8.750 15.127 ( 3.473 2.029 3.689) 5.457 15.188 ( -7.510 -3.300 -4.163) 9.199 15.422 ( 0.617 -0.566 -0.344) 0.905 15.758 ( 1.055 -2.583 0.302) 2.807 15.959 ( -1.907 2.293 14.152) 14.463 16.067 ( -2.374 0.841 17.719) 17.897 16.655 ( 2.936 -4.504 -0.936) 5.457 16.952 ( -1.672 3.011 -3.170) 4.681 24.333 ( -1.148 -0.121 -0.123) 1.161 24.464 ( 3.400 -0.289 -0.067) 3.412 24.535 ( -2.449 -0.236 0.087) 2.462 24.621 ( 0.880 -0.227 0.184) 0.927 25.845 ( -1.557 1.216 -0.018) 1.975 25.936 ( 1.504 0.073 0.534) 1.598 26.145 ( 0.018 0.752 1.831) 1.980 26.293 ( -2.244 3.111 -1.626) 4.166 26.675 ( -0.878 0.624 8.251) 8.321 26.750 ( -0.820 -0.120 6.413) 6.467 27.766 ( 2.287 -2.227 -11.215) 11.661 28.089 ( 2.483 -5.951 -17.374) 18.532 28.740 ( 0.189 -2.737 3.200) 4.215 28.875 ( -2.886 4.052 1.131) 5.102 29.347 ( -1.071 1.464 6.264) 6.522 29.421 ( 3.731 -2.708 3.988) 6.095 ======================= Grid point 135 (61/140) ======================= q-point: (-0.44 -0.44 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 135 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.389 ( -2.229 -0.000 -2.117) 3.074 1.626 ( -3.187 -0.000 -2.024) 3.775 1.679 ( -12.129 -0.000 5.439) 13.293 1.849 ( -10.696 -0.000 2.291) 10.938 2.228 ( -4.005 -0.000 1.662) 4.336 2.302 ( -0.721 -0.000 -0.541) 0.901 2.514 ( 12.592 0.000 1.060) 12.637 2.553 ( 15.434 0.000 -0.539) 15.444 2.625 ( 1.646 0.000 -0.226) 1.661 3.021 ( -6.041 -0.000 -20.345) 21.223 3.267 ( -26.810 -0.000 12.014) 29.379 3.443 ( -3.715 -0.000 -7.165) 8.071 3.526 ( -0.471 -0.000 -6.453) 6.470 3.727 ( 3.744 0.000 6.380) 7.397 3.810 ( 9.359 0.000 3.444) 9.973 3.971 ( 6.957 0.000 3.964) 8.007 4.113 ( 1.936 0.000 10.761) 10.934 4.333 ( -0.165 -0.000 -3.540) 3.544 4.464 ( 4.308 0.000 -0.820) 4.386 4.845 ( -0.432 -0.000 -1.198) 1.273 5.184 ( -3.107 -0.000 1.152) 3.314 5.375 ( -0.703 -0.000 -4.263) 4.321 5.457 ( -1.060 -0.000 5.264) 5.370 5.497 ( 2.210 0.000 -0.933) 2.399 5.840 ( 3.086 0.000 7.852) 8.437 5.966 ( -4.138 -0.000 5.242) 6.678 6.202 ( 0.045 0.000 1.869) 1.870 6.521 ( -6.115 -0.000 0.065) 6.115 6.626 ( 3.272 0.000 -1.086) 3.448 6.784 ( -0.445 -0.000 4.852) 4.873 6.968 ( -2.529 -0.000 -1.996) 3.221 6.991 ( 5.928 0.000 -3.450) 6.859 7.161 ( -5.027 -0.000 0.938) 5.114 7.173 ( -10.729 -0.000 -9.356) 14.235 7.299 ( 2.961 0.000 7.311) 7.888 7.347 ( 7.087 0.000 -3.276) 7.807 7.433 ( -0.502 -0.000 3.791) 3.824 7.505 ( -3.449 -0.000 0.786) 3.538 7.832 ( -6.838 -0.000 -9.030) 11.327 8.207 ( 16.840 0.000 6.408) 18.018 8.209 ( 3.209 0.000 -6.274) 7.047 8.429 ( 0.037 0.000 -10.109) 10.109 8.520 ( -4.244 -0.000 -2.745) 5.055 8.932 ( 0.057 0.000 7.312) 7.312 8.959 ( 3.414 0.000 6.293) 7.160 9.129 ( -3.124 -0.000 0.021) 3.124 9.468 ( 3.942 0.000 -4.812) 6.220 9.891 ( 0.494 0.000 -7.489) 7.506 10.445 ( -0.986 -0.000 2.789) 2.959 11.113 ( 3.199 0.000 -6.929) 7.631 11.333 ( -1.273 -0.000 12.757) 12.820 12.305 ( -0.059 -0.000 13.171) 13.171 12.419 ( -1.409 -0.000 0.694) 1.571 12.878 ( -1.134 -0.000 -13.881) 13.927 12.943 ( 6.413 0.000 -4.859) 8.046 13.054 ( -9.129 -0.000 -2.772) 9.541 14.000 ( 5.072 0.000 -3.816) 6.348 14.197 ( 1.597 0.000 -5.211) 5.450 14.641 ( -2.813 -0.000 -9.645) 10.047 14.805 ( -4.435 -0.000 -2.690) 5.187 15.004 ( -2.675 -0.000 2.673) 3.781 15.210 ( 0.707 0.000 4.944) 4.995 15.510 ( -6.057 -0.000 -5.065) 7.896 15.579 ( 4.200 0.000 -4.068) 5.847 16.075 ( 1.976 0.000 16.589) 16.706 16.173 ( 1.021 0.000 11.845) 11.889 16.244 ( 2.102 0.000 3.720) 4.273 17.117 ( -0.379 -0.000 -5.979) 5.991 24.351 ( 1.055 0.000 0.428) 1.139 24.390 ( -1.161 -0.000 -1.380) 1.804 24.547 ( 1.737 0.000 1.637) 2.387 24.595 ( -0.951 -0.000 -0.265) 0.988 25.890 ( -4.002 -0.000 1.491) 4.271 26.089 ( 4.659 0.000 7.943) 9.208 26.146 ( 0.484 0.000 -1.524) 1.599 26.672 ( 1.826 0.000 0.965) 2.065 26.814 ( -0.120 -0.000 5.685) 5.687 27.017 ( -2.326 -0.000 -3.455) 4.165 27.288 ( 1.441 0.000 -3.874) 4.133 27.343 ( -4.666 -0.000 -22.111) 22.598 28.655 ( -5.230 -0.000 9.881) 11.180 28.854 ( 6.251 0.000 15.742) 16.938 29.194 ( -3.662 -0.000 -1.258) 3.872 29.652 ( 5.782 0.000 -3.129) 6.574 ======================= Grid point 136 (62/140) ======================= q-point: (-0.33 -0.44 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 243 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.402 ( -6.692 -4.522 0.658) 8.103 1.565 ( -12.937 -5.673 -0.433) 14.133 1.657 ( 0.370 -0.230 3.146) 3.176 1.858 ( -11.650 -9.868 5.291) 16.158 2.169 ( -1.378 2.311 -0.631) 2.764 2.278 ( -0.828 2.351 1.144) 2.742 2.479 ( 10.946 7.079 -3.036) 13.384 2.682 ( 11.936 -1.288 6.801) 13.798 2.839 ( 10.246 -8.689 -5.331) 14.453 2.967 ( -5.120 -2.224 -14.663) 15.690 3.118 ( -31.293 -9.821 11.906) 34.892 3.416 ( -3.717 -0.871 -6.286) 7.355 3.523 ( -1.780 -1.330 -4.548) 5.062 3.702 ( -3.004 2.470 5.008) 6.341 4.002 ( 5.756 -1.306 1.401) 6.066 4.026 ( 12.276 -5.788 -1.553) 13.661 4.123 ( 2.565 1.684 11.692) 12.088 4.341 ( -2.178 -3.112 -1.048) 3.941 4.538 ( 7.952 -3.865 -0.870) 8.884 4.909 ( -1.328 -5.885 -2.383) 6.486 5.211 ( -4.524 -6.152 2.371) 7.996 5.259 ( -2.781 6.740 -2.778) 7.803 5.490 ( 3.573 -1.344 2.623) 4.632 5.525 ( 2.674 0.207 -1.401) 3.026 5.843 ( 4.870 3.806 5.164) 8.055 5.937 ( -4.085 0.705 6.471) 7.685 6.225 ( -2.618 -1.429 0.453) 3.017 6.456 ( -3.149 2.935 -0.213) 4.310 6.554 ( -0.308 6.273 -0.490) 6.300 6.775 ( 0.062 1.508 4.636) 4.876 6.868 ( -8.038 3.740 -0.831) 8.905 6.967 ( 2.435 5.872 1.449) 6.520 7.004 ( -6.781 6.824 -0.293) 9.625 7.197 ( 1.010 -3.090 -8.668) 9.257 7.358 ( 6.292 3.192 0.851) 7.106 7.403 ( 0.624 -5.497 6.511) 8.544 7.471 ( -7.329 -5.472 -0.469) 9.158 7.533 ( -1.171 -5.140 1.008) 5.367 7.742 ( -7.605 1.474 -8.509) 11.507 8.190 ( 6.313 3.061 -4.600) 8.390 8.326 ( -0.350 4.255 1.864) 4.659 8.410 ( 11.223 -1.533 -4.628) 12.236 8.501 ( -4.162 -1.140 -2.550) 5.012 8.917 ( 6.682 4.468 2.533) 8.428 8.989 ( -0.287 -2.667 -1.605) 3.126 9.220 ( 0.955 -7.704 2.717) 8.225 9.524 ( 5.283 -2.330 -1.614) 5.995 9.855 ( 0.359 3.369 -6.685) 7.495 10.447 ( 0.951 0.169 2.115) 2.325 11.099 ( 4.788 3.582 -3.127) 6.748 11.342 ( -2.289 -0.890 10.240) 10.531 12.284 ( -0.267 3.756 12.486) 13.041 12.369 ( -0.919 4.625 0.531) 4.745 12.715 ( -3.331 10.365 -10.094) 14.847 13.014 ( -3.128 -6.154 0.949) 6.968 13.118 ( 0.266 -8.444 -11.202) 14.031 13.950 ( 3.529 8.284 -3.464) 9.648 14.197 ( 1.768 0.508 -5.856) 6.138 14.544 ( -8.583 4.897 -7.721) 12.540 14.806 ( -4.149 -4.966 -5.028) 8.195 15.006 ( 0.910 -0.271 0.062) 0.952 15.225 ( 0.751 -0.041 4.983) 5.039 15.450 ( -6.217 0.284 -5.441) 8.267 15.624 ( 4.279 -1.570 -1.608) 4.833 16.090 ( 2.339 2.862 18.205) 18.576 16.173 ( 1.137 2.033 11.326) 11.563 16.314 ( 4.030 -4.168 3.852) 6.961 17.099 ( -1.398 0.537 -5.957) 6.142 24.352 ( 0.130 0.646 0.143) 0.674 24.395 ( 0.772 -1.198 -0.943) 1.709 24.561 ( 0.523 0.300 1.214) 1.355 24.585 ( -0.095 -0.074 0.004) 0.121 25.868 ( -3.538 -0.743 1.797) 4.037 26.063 ( 1.721 4.947 2.296) 5.719 26.180 ( 2.088 -0.749 3.773) 4.377 26.663 ( -0.346 2.744 0.937) 2.920 26.766 ( -1.276 2.736 7.342) 7.938 26.945 ( -4.680 13.065 -9.488) 16.811 27.209 ( 3.122 -11.715 -6.847) 13.924 27.557 ( -1.735 -14.708 -15.795) 21.653 28.637 ( -4.343 -1.202 7.731) 8.948 28.953 ( 7.081 -2.079 17.416) 18.915 29.142 ( -5.667 0.806 -0.344) 5.735 29.685 ( 10.282 3.525 -2.734) 11.208 ======================= Grid point 137 (63/140) ======================= q-point: (-0.22 -0.44 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 243 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.456 ( -6.919 -8.304 4.009) 11.528 1.599 ( -2.495 -2.989 -1.838) 4.305 1.713 ( -1.557 -6.155 5.096) 8.141 1.976 ( -14.912 -13.770 8.792) 22.120 2.153 ( 3.121 0.805 -2.725) 4.221 2.230 ( 1.531 1.671 2.839) 3.633 2.469 ( 7.262 1.910 -3.162) 8.148 2.781 ( 7.148 -0.103 3.887) 8.137 2.936 ( -1.091 -3.240 -9.497) 10.094 3.026 ( 3.974 -1.968 0.098) 4.436 3.175 ( -14.889 -14.851 5.162) 21.654 3.385 ( -4.858 -0.719 -7.925) 9.323 3.542 ( -5.158 -1.204 5.156) 7.392 3.647 ( -1.118 -2.300 -2.063) 3.286 3.957 ( -0.031 5.741 -1.298) 5.886 4.099 ( 2.909 3.056 7.851) 8.913 4.284 ( 2.158 -10.306 3.270) 11.025 4.439 ( -0.457 -9.695 -0.516) 9.720 4.699 ( 5.474 -6.928 -1.916) 9.035 4.917 ( -5.503 2.175 2.798) 6.545 5.199 ( 3.359 -1.416 -5.668) 6.739 5.339 ( -1.900 -10.045 0.908) 10.264 5.530 ( 4.573 1.828 -1.758) 5.230 5.552 ( 3.467 -1.894 2.509) 4.680 5.813 ( 5.848 4.961 2.868) 8.188 5.874 ( -3.933 3.750 6.564) 8.522 6.159 ( -7.629 3.412 -0.092) 8.358 6.302 ( -0.257 10.416 -3.120) 10.876 6.561 ( -0.880 -4.930 1.947) 5.373 6.735 ( -1.471 2.772 3.951) 5.046 6.772 ( -5.061 0.840 2.251) 5.602 6.866 ( -4.751 1.573 0.462) 5.026 6.900 ( 3.879 5.681 1.119) 6.970 7.168 ( -3.107 2.736 -7.367) 8.450 7.365 ( 6.083 3.533 3.825) 8.007 7.446 ( -8.716 -2.910 1.278) 9.278 7.514 ( -3.419 -4.141 2.088) 5.762 7.635 ( 0.350 -5.270 1.049) 5.385 7.684 ( -5.307 -3.383 -8.378) 10.478 8.154 ( 0.747 3.886 -2.729) 4.807 8.273 ( 4.386 2.312 -1.138) 5.088 8.466 ( 1.693 1.883 -4.759) 5.391 8.485 ( 2.435 1.994 3.780) 4.919 8.908 ( 8.643 3.226 -3.319) 9.804 9.048 ( 0.712 -2.509 -7.304) 7.756 9.336 ( 0.320 -4.831 0.716) 4.894 9.586 ( 3.189 0.737 -0.197) 3.279 9.784 ( 2.061 4.380 -2.602) 5.496 10.456 ( 2.564 0.645 2.277) 3.490 11.093 ( 6.220 1.749 2.135) 6.805 11.353 ( -1.699 -1.679 5.164) 5.690 12.201 ( -1.710 6.522 7.385) 9.999 12.268 ( -0.084 5.438 2.933) 6.179 12.492 ( -4.512 10.303 -6.813) 13.151 13.088 ( -7.165 -6.670 -1.687) 9.933 13.293 ( 6.373 -9.834 -8.184) 14.293 13.812 ( 2.391 8.801 -4.211) 10.045 14.182 ( 1.725 2.216 -6.971) 7.515 14.368 ( -10.533 4.755 -5.799) 12.930 14.841 ( -2.638 -2.060 -8.743) 9.362 15.031 ( -0.865 -2.670 0.320) 2.825 15.226 ( 0.832 1.138 3.434) 3.712 15.400 ( -3.826 -0.010 -3.183) 4.977 15.691 ( 4.087 -2.166 0.393) 4.642 16.058 ( 0.116 3.972 17.591) 18.035 16.148 ( 0.334 3.146 13.472) 13.839 16.447 ( 5.603 -5.900 2.844) 8.619 17.057 ( -2.539 1.883 -5.540) 6.378 24.339 ( -0.449 0.570 -0.139) 0.738 24.433 ( 2.446 -1.526 -0.558) 2.937 24.542 ( -1.546 0.810 0.328) 1.776 24.603 ( 1.344 -0.713 0.749) 1.696 25.862 ( -2.930 -1.052 1.354) 3.395 25.987 ( 0.670 4.383 1.097) 4.567 26.191 ( 1.110 1.259 3.880) 4.227 26.526 ( -7.605 8.556 -3.572) 11.991 26.730 ( -0.391 2.867 6.780) 7.372 26.764 ( -0.181 2.521 1.310) 2.847 27.476 ( 4.857 -13.553 -9.017) 16.988 27.767 ( 0.639 -12.371 -18.155) 21.979 28.647 ( -2.873 -2.432 5.741) 6.865 28.996 ( -2.223 2.453 4.135) 5.297 29.148 ( 2.055 -3.712 12.354) 13.062 29.678 ( 11.531 7.082 -1.582) 13.624 ======================= Grid point 138 (64/140) ======================= q-point: (-0.11 -0.44 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 243 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.542 ( -2.139 -3.353 -0.458) 4.004 1.625 ( 2.209 -1.073 1.495) 2.875 1.825 ( -4.037 -7.375 4.736) 9.650 2.074 ( -8.065 -5.497 10.695) 14.479 2.151 ( -2.599 -3.196 2.216) 4.678 2.318 ( 2.245 -7.772 0.083) 8.091 2.543 ( 5.397 -5.573 -5.594) 9.565 2.823 ( 2.605 0.310 1.120) 2.853 2.972 ( -0.736 -3.202 -4.319) 5.427 3.046 ( 6.659 4.342 3.441) 8.662 3.256 ( -1.514 0.257 -4.424) 4.683 3.409 ( -9.051 -0.779 1.658) 9.235 3.446 ( -0.613 -2.703 0.823) 2.892 3.809 ( -2.574 5.078 -2.485) 6.212 3.832 ( -0.461 -10.072 0.451) 10.092 4.076 ( 1.569 1.850 4.186) 4.838 4.432 ( -4.546 -7.967 7.930) 12.125 4.612 ( -3.728 -9.496 -0.650) 10.222 4.831 ( -5.098 -6.880 3.469) 9.239 4.852 ( 1.989 0.188 -0.958) 2.216 5.273 ( 7.425 -1.821 -6.208) 9.848 5.460 ( -2.306 -3.180 0.747) 3.999 5.536 ( 6.797 3.105 2.025) 7.742 5.600 ( -0.417 -1.502 -0.724) 1.719 5.769 ( 3.487 4.234 1.763) 5.762 5.813 ( 0.925 0.664 5.056) 5.182 6.028 ( -7.233 4.733 1.669) 8.803 6.155 ( 1.499 5.575 -3.288) 6.644 6.579 ( -3.205 2.907 -1.509) 4.583 6.718 ( -0.944 -1.809 -0.430) 2.085 6.773 ( -1.694 -4.360 3.589) 5.896 6.851 ( -2.218 -1.447 2.379) 3.560 6.858 ( 3.120 1.999 0.616) 3.757 7.087 ( -1.613 2.803 -3.103) 4.482 7.317 ( 1.511 5.313 3.646) 6.619 7.398 ( -9.859 -0.586 -3.881) 10.612 7.569 ( -1.737 -4.567 5.405) 7.286 7.692 ( -0.964 -4.754 -0.405) 4.868 7.779 ( -0.108 -7.385 -5.486) 9.200 8.083 ( 1.673 4.802 -4.513) 6.799 8.287 ( 5.974 1.799 2.765) 6.825 8.413 ( 2.451 6.531 2.142) 7.297 8.449 ( -1.311 0.576 -4.739) 4.951 8.915 ( 3.626 3.113 -4.582) 6.621 9.021 ( -0.029 3.344 -6.917) 7.683 9.425 ( 1.436 -4.941 -0.172) 5.148 9.529 ( -1.655 4.924 -4.391) 6.802 9.746 ( 3.349 3.213 3.064) 5.561 10.479 ( 4.124 -0.043 3.794) 5.604 11.107 ( 1.686 2.065 6.276) 6.818 11.418 ( 4.170 -4.973 -1.619) 6.689 12.068 ( -2.965 5.819 1.260) 6.651 12.196 ( 0.308 4.462 3.664) 5.782 12.283 ( -4.778 7.883 -1.245) 9.302 13.132 ( -6.128 -5.030 -3.390) 8.623 13.518 ( 8.125 -9.298 -4.562) 13.164 13.688 ( 3.353 7.100 -6.786) 10.378 14.137 ( -0.010 2.388 -6.190) 6.634 14.214 ( -7.951 3.525 -6.352) 10.770 14.822 ( -4.615 -0.886 -8.257) 9.500 15.070 ( -2.636 -3.000 -1.645) 4.319 15.212 ( 2.719 2.179 2.619) 4.358 15.392 ( -1.011 -1.463 0.248) 1.795 15.754 ( 3.525 -1.215 1.590) 4.053 16.007 ( -1.502 3.163 15.520) 15.910 16.105 ( -1.299 3.037 15.596) 15.942 16.599 ( 5.708 -5.619 1.153) 8.092 16.982 ( -3.436 3.098 -4.700) 6.595 24.328 ( -0.183 0.272 -0.162) 0.366 24.478 ( 2.842 -1.134 -0.432) 3.090 24.517 ( -2.130 0.439 0.278) 2.192 24.624 ( 1.027 -0.350 0.529) 1.207 25.847 ( -2.390 0.434 0.313) 2.450 25.947 ( 0.649 0.848 1.351) 1.722 26.172 ( 0.221 1.763 2.406) 2.991 26.336 ( -5.520 5.336 -3.238) 8.333 26.698 ( -0.523 1.515 7.897) 8.058 26.753 ( -0.386 0.266 5.451) 5.471 27.687 ( 3.006 -7.827 -9.595) 12.742 27.957 ( 3.891 -9.621 -20.010) 22.542 28.687 ( -1.238 -3.354 3.959) 5.334 28.913 ( -3.885 3.449 0.898) 5.273 29.256 ( 0.295 -4.760 12.879) 13.734 29.614 ( 10.006 9.955 0.054) 14.115 ======================= Grid point 145 (65/140) ======================= q-point: (-0.33 -0.33 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 135 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.299 ( -12.093 -0.000 1.214) 12.154 1.328 ( -23.032 -0.000 3.044) 23.233 1.687 ( -6.002 -0.000 4.124) 7.282 1.688 ( 1.680 0.000 3.439) 3.827 2.185 ( 0.668 0.000 -4.241) 4.293 2.298 ( 0.453 0.000 -0.651) 0.793 2.655 ( -19.497 -0.000 19.824) 27.805 2.725 ( 0.497 0.000 -6.287) 6.307 2.776 ( 15.597 0.000 -4.022) 16.107 2.853 ( -0.563 -0.000 9.003) 9.020 2.886 ( -4.083 -0.000 -14.938) 15.486 3.377 ( -2.265 -0.000 -5.020) 5.508 3.512 ( 0.304 0.000 -4.783) 4.792 3.716 ( -0.335 -0.000 2.070) 2.097 4.025 ( -0.523 -0.000 3.759) 3.796 4.057 ( 11.952 0.000 -1.393) 12.033 4.177 ( 0.921 0.000 14.037) 14.068 4.293 ( -2.669 -0.000 -2.789) 3.861 4.584 ( 10.926 0.000 -3.045) 11.343 4.841 ( -0.273 -0.000 -3.235) 3.247 5.116 ( -5.166 -0.000 1.322) 5.333 5.307 ( -3.787 -0.000 -4.410) 5.813 5.443 ( -2.051 -0.000 1.576) 2.587 5.586 ( 6.912 0.000 -3.070) 7.563 5.910 ( -4.247 -0.000 7.098) 8.272 5.939 ( 7.086 0.000 5.919) 9.233 6.206 ( 0.089 0.000 2.535) 2.537 6.393 ( -9.324 -0.000 0.435) 9.334 6.660 ( 1.350 0.000 -1.559) 2.062 6.783 ( -1.132 -0.000 5.529) 5.644 6.885 ( -6.444 -0.000 0.202) 6.447 6.964 ( -9.118 -0.000 -5.922) 10.873 7.087 ( -5.189 -0.000 -0.596) 5.223 7.102 ( 4.870 0.000 -6.461) 8.091 7.338 ( -0.432 -0.000 5.582) 5.599 7.400 ( -3.673 -0.000 4.562) 5.857 7.447 ( -3.609 -0.000 -1.089) 3.769 7.470 ( 7.625 0.000 -1.877) 7.853 7.674 ( -9.218 -0.000 -7.742) 12.038 8.279 ( 6.855 0.000 -6.194) 9.239 8.394 ( -1.341 -0.000 -9.160) 9.258 8.404 ( -6.131 -0.000 15.404) 16.579 8.464 ( 10.736 0.000 -15.453) 18.816 8.920 ( -2.406 -0.000 -0.379) 2.436 9.121 ( 1.705 0.000 3.235) 3.656 9.135 ( 15.465 0.000 10.075) 18.458 9.534 ( 4.601 0.000 -1.947) 4.996 9.881 ( 0.549 0.000 -7.127) 7.148 10.473 ( 4.121 0.000 1.986) 4.574 11.172 ( 6.043 0.000 -5.691) 8.301 11.322 ( -3.897 -0.000 13.007) 13.578 12.329 ( -1.352 -0.000 14.591) 14.654 12.412 ( 0.500 0.000 0.403) 0.642 12.796 ( -4.808 -0.000 -14.892) 15.649 12.877 ( -9.767 -0.000 1.722) 9.917 13.044 ( 5.185 0.000 -7.621) 9.218 14.075 ( 4.610 0.000 -4.042) 6.131 14.165 ( -3.937 -0.000 -4.043) 5.644 14.577 ( -2.132 -0.000 -16.542) 16.678 14.642 ( -10.603 -0.000 -1.453) 10.702 15.024 ( 1.590 0.000 -2.866) 3.278 15.241 ( 1.160 0.000 7.695) 7.782 15.391 ( -6.870 -0.000 -4.786) 8.373 15.639 ( 3.624 0.000 0.528) 3.662 16.179 ( 4.705 0.000 17.233) 17.864 16.219 ( 2.916 0.000 12.920) 13.245 16.314 ( 5.535 0.000 3.893) 6.767 17.082 ( -2.157 -0.000 -6.319) 6.677 24.375 ( -0.231 -0.000 -1.379) 1.398 24.376 ( 1.856 0.000 0.860) 2.045 24.575 ( -1.514 -0.000 -0.779) 1.703 24.578 ( 1.615 0.000 1.585) 2.263 25.832 ( -3.929 -0.000 2.718) 4.777 26.157 ( 1.219 0.000 -1.374) 1.837 26.168 ( 2.951 0.000 7.533) 8.091 26.697 ( 1.132 0.000 0.256) 1.161 26.830 ( 0.447 0.000 6.491) 6.507 26.965 ( -2.814 -0.000 -3.872) 4.787 27.179 ( -9.200 -0.000 -26.737) 28.276 27.303 ( 1.461 0.000 -4.001) 4.260 28.598 ( -4.107 -0.000 6.518) 7.704 29.040 ( 11.559 0.000 25.173) 27.700 29.094 ( -6.989 -0.000 -1.506) 7.150 29.805 ( 12.480 0.000 -2.578) 12.743 ======================= Grid point 146 (66/140) ======================= q-point: (-0.22 -0.33 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 243 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.182 ( -18.215 -8.887 9.362) 22.325 1.374 ( -15.641 -14.834 2.675) 21.722 1.676 ( 1.435 -0.715 2.216) 2.735 1.740 ( -3.005 -3.863 6.536) 8.165 2.191 ( 4.676 -0.033 -6.868) 8.309 2.281 ( 1.149 2.373 -0.356) 2.660 2.546 ( -35.501 -14.695 21.669) 44.111 2.652 ( 6.124 6.600 -3.236) 9.568 2.843 ( -0.225 -2.422 -9.791) 10.089 2.907 ( 9.537 1.246 1.682) 9.764 3.036 ( 9.825 -9.150 -3.040) 13.766 3.360 ( -1.075 0.522 -3.531) 3.728 3.504 ( 0.152 0.138 -3.398) 3.405 3.690 ( 0.873 3.570 -0.290) 3.686 4.007 ( -2.899 1.577 2.734) 4.286 4.156 ( -2.344 -2.427 8.673) 9.307 4.188 ( 4.894 -0.819 4.257) 6.538 4.320 ( 1.159 -4.814 -2.395) 5.501 4.676 ( 7.966 -1.229 -3.711) 8.873 4.875 ( -1.785 -3.588 -1.050) 4.143 5.131 ( -5.393 -5.559 1.778) 7.947 5.238 ( 1.513 1.206 -8.377) 8.597 5.472 ( -2.586 -3.829 -0.854) 4.698 5.631 ( 7.104 0.639 -2.733) 7.638 5.876 ( -3.698 1.317 7.775) 8.710 5.972 ( 7.711 3.926 4.274) 9.650 6.164 ( -4.895 3.507 1.257) 6.151 6.412 ( -2.726 -7.540 2.112) 8.291 6.525 ( -2.003 13.063 -2.017) 13.368 6.750 ( -6.490 2.898 2.499) 7.534 6.783 ( -0.340 1.405 2.882) 3.224 6.855 ( -8.580 4.389 -2.171) 9.879 7.030 ( 1.217 3.225 0.304) 3.461 7.147 ( -3.962 -0.829 -10.736) 11.473 7.305 ( -9.768 -0.567 4.336) 10.702 7.422 ( -1.315 -6.468 5.695) 8.718 7.469 ( 2.074 1.089 0.835) 2.487 7.536 ( 3.942 -3.700 -3.098) 6.231 7.611 ( -5.940 -1.123 -4.485) 7.528 8.245 ( -0.306 5.864 0.378) 5.884 8.329 ( 3.598 1.323 -5.359) 6.590 8.416 ( -4.602 -2.215 -5.520) 7.520 8.575 ( 8.781 -0.938 -3.441) 9.478 8.953 ( -0.348 -5.455 -5.587) 7.817 9.065 ( 6.736 6.196 1.982) 9.364 9.316 ( 10.613 -1.907 6.145) 12.411 9.598 ( 3.312 -2.279 0.838) 4.107 9.857 ( 2.023 2.413 -3.638) 4.811 10.514 ( 6.930 0.761 1.880) 7.221 11.185 ( 5.928 2.942 -0.520) 6.639 11.314 ( -3.512 -1.362 8.419) 9.223 12.298 ( -1.926 3.860 13.998) 14.648 12.366 ( 0.437 5.470 -0.362) 5.500 12.613 ( -6.449 9.322 -9.740) 14.945 12.902 ( -8.007 -7.176 -1.390) 10.841 13.165 ( 5.683 -9.001 -6.637) 12.545 13.967 ( -0.817 8.534 -4.375) 9.625 14.192 ( -1.243 -1.832 -4.385) 4.912 14.400 ( -5.244 8.032 -12.023) 15.381 14.693 ( -7.133 -6.952 -11.357) 15.106 15.022 ( 0.152 0.116 -2.229) 2.237 15.244 ( -0.635 0.956 6.255) 6.360 15.359 ( -3.296 -1.809 -1.387) 4.008 15.685 ( 3.251 -1.811 2.691) 4.593 16.170 ( 1.723 4.557 11.361) 12.362 16.238 ( 4.127 4.399 19.044) 19.976 16.415 ( 7.471 -4.134 4.702) 9.748 17.050 ( -3.019 0.678 -6.182) 6.913 24.355 ( 0.424 1.249 -0.321) 1.357 24.419 ( 2.057 -1.961 -0.010) 2.842 24.548 ( -1.630 1.092 -0.471) 2.018 24.601 ( 1.179 -0.807 1.062) 1.780 25.817 ( -3.552 -1.232 2.755) 4.661 26.090 ( 1.338 6.028 0.846) 6.233 26.215 ( 0.809 -0.169 4.427) 4.503 26.610 ( -7.467 9.392 -4.650) 12.868 26.762 ( -1.004 1.997 7.326) 7.659 26.855 ( -3.470 7.586 -5.684) 10.094 27.256 ( 5.414 -15.421 -9.760) 19.036 27.494 ( -1.505 -15.639 -16.462) 22.756 28.591 ( -3.226 -1.717 5.190) 6.348 29.018 ( -5.157 2.184 -0.004) 5.600 29.180 ( 11.500 -0.206 26.255) 28.664 29.874 ( 13.218 3.652 -1.712) 13.819 ======================= Grid point 147 (67/140) ======================= q-point: (-0.11 -0.33 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 243 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.334 ( -8.818 -16.891 7.823) 20.598 1.539 ( -6.750 -12.714 1.991) 14.531 1.695 ( -2.580 -1.285 2.418) 3.762 1.792 ( -8.599 -7.439 12.506) 16.902 2.215 ( 4.494 3.260 -1.540) 5.762 2.299 ( 7.113 -2.740 -4.660) 8.934 2.555 ( -0.476 1.856 -2.527) 3.171 2.686 ( -17.290 -16.376 11.527) 26.457 2.900 ( 1.318 -4.169 -4.922) 6.584 2.989 ( 3.546 -4.455 4.235) 7.096 3.234 ( 4.302 -5.637 -4.690) 8.502 3.323 ( 2.836 1.599 -2.705) 4.233 3.527 ( 2.088 0.881 0.947) 2.456 3.629 ( -0.191 -0.915 -3.271) 3.402 3.912 ( -5.311 5.759 -0.199) 7.837 4.147 ( -0.201 2.356 10.059) 10.334 4.269 ( -3.002 -6.657 4.685) 8.676 4.454 ( 1.195 -7.506 -1.627) 7.773 4.724 ( -1.333 -2.529 2.253) 3.640 4.891 ( 1.962 1.465 -2.960) 3.841 5.208 ( -1.615 -7.033 -1.063) 7.294 5.340 ( 2.940 -8.478 -8.062) 12.063 5.521 ( -1.836 -4.014 -3.358) 5.546 5.656 ( 5.303 2.698 -0.549) 5.975 5.825 ( -3.357 1.404 6.414) 7.374 5.939 ( 7.768 6.927 3.257) 10.906 6.054 ( -5.423 4.115 2.159) 7.142 6.289 ( 0.250 9.922 -2.686) 10.282 6.544 ( -1.449 -6.163 1.125) 6.431 6.670 ( -7.685 1.821 4.274) 8.981 6.698 ( -3.920 1.106 -2.631) 4.849 6.815 ( -2.026 -1.787 4.379) 5.146 6.949 ( -1.037 4.620 -2.966) 5.588 7.104 ( -0.284 0.951 -4.045) 4.165 7.264 ( -11.557 -3.016 -0.687) 11.963 7.429 ( -0.014 3.488 4.420) 5.630 7.519 ( 0.467 -1.906 7.453) 7.707 7.605 ( -2.904 -3.856 -4.519) 6.612 7.651 ( 3.285 -6.140 -3.719) 7.894 8.167 ( 1.322 3.019 -0.389) 3.318 8.337 ( 3.179 0.798 -2.835) 4.334 8.408 ( -2.339 -1.193 -6.175) 6.710 8.579 ( 4.006 5.719 1.006) 7.055 8.993 ( 2.562 3.477 -4.665) 6.358 9.048 ( 1.799 0.213 -7.792) 8.000 9.406 ( 8.115 -1.041 1.972) 8.416 9.587 ( -2.061 3.942 -3.356) 5.572 9.839 ( 3.974 3.229 4.372) 6.732 10.556 ( 8.761 1.864 2.746) 9.368 11.165 ( -0.472 3.076 7.441) 8.066 11.370 ( 5.092 -4.874 -1.054) 7.127 12.173 ( -3.833 8.730 5.608) 11.061 12.281 ( 0.642 4.029 2.823) 4.961 12.387 ( -6.617 9.451 -4.438) 12.361 12.968 ( -6.748 -7.083 -1.859) 9.958 13.403 ( 8.967 -11.152 -4.155) 14.901 13.826 ( 0.845 6.326 -6.729) 9.274 14.166 ( -3.002 1.819 -1.820) 3.954 14.227 ( -3.000 6.273 -13.994) 15.626 14.696 ( -11.054 -3.882 -13.616) 17.963 15.034 ( 0.417 -1.288 -0.946) 1.651 15.229 ( -1.746 -0.090 3.170) 3.621 15.382 ( 1.457 -1.027 3.197) 3.661 15.752 ( 2.847 -2.352 4.561) 5.868 16.095 ( -0.393 5.870 14.753) 15.883 16.186 ( 0.048 5.065 15.912) 16.698 16.561 ( 7.500 -4.902 3.323) 9.556 16.992 ( -3.861 2.104 -5.489) 7.033 24.340 ( 0.671 0.865 -0.159) 1.106 24.469 ( 1.778 -1.717 -0.030) 2.472 24.516 ( -1.471 0.853 -0.334) 1.734 24.624 ( 1.078 -0.658 0.746) 1.467 25.817 ( -3.011 -1.277 1.778) 3.723 25.997 ( 0.008 4.496 1.144) 4.640 26.206 ( -0.238 1.529 2.937) 3.320 26.374 ( -9.551 6.250 -4.835) 12.396 26.735 ( -1.042 2.192 7.679) 8.053 26.771 ( 0.405 1.581 2.303) 2.823 27.534 ( 3.988 -11.330 -7.044) 13.924 27.758 ( 4.993 -15.193 -24.781) 29.493 28.618 ( -2.086 -3.277 3.890) 5.498 28.936 ( -4.246 2.764 -0.217) 5.071 29.266 ( 5.917 1.552 22.814) 23.619 29.873 ( 12.640 8.644 -0.648) 15.327 ======================= Grid point 155 (68/140) ======================= q-point: (-0.22 -0.22 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 135 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.971 ( -22.761 -0.000 11.094) 25.321 1.015 ( -22.513 -0.000 12.137) 25.576 1.695 ( 3.286 0.000 1.480) 3.604 1.718 ( 0.882 0.000 4.685) 4.768 2.082 ( -44.120 -0.000 34.122) 55.775 2.217 ( 5.125 0.000 -9.959) 11.200 2.314 ( 1.766 0.000 -2.392) 2.973 2.798 ( 0.178 0.000 -10.021) 10.023 2.827 ( 7.100 0.000 -2.292) 7.461 2.988 ( 8.791 0.000 -6.199) 10.757 3.025 ( 10.752 0.000 2.802) 11.111 3.369 ( 2.330 0.000 0.107) 2.333 3.510 ( 0.600 0.000 -2.856) 2.918 3.742 ( 3.477 0.000 -2.860) 4.502 3.983 ( -6.611 -0.000 6.673) 9.394 4.160 ( -4.513 -0.000 8.862) 9.944 4.168 ( 3.417 0.000 -0.342) 3.434 4.290 ( 1.554 0.000 0.379) 1.600 4.752 ( 10.047 0.000 -6.554) 11.995 4.799 ( -4.082 -0.000 -2.103) 4.591 5.037 ( -4.814 -0.000 -0.092) 4.815 5.265 ( 0.594 0.000 -11.214) 11.230 5.396 ( -4.084 -0.000 -0.839) 4.170 5.675 ( 5.138 0.000 -4.292) 6.694 5.870 ( -3.230 -0.000 9.173) 9.725 6.085 ( 9.505 0.000 3.788) 10.232 6.220 ( 0.834 0.000 3.633) 3.727 6.250 ( -8.183 -0.000 0.957) 8.239 6.662 ( -0.813 -0.000 -0.973) 1.268 6.763 ( -3.894 -0.000 6.844) 7.874 6.780 ( -7.133 -0.000 2.789) 7.659 6.835 ( -3.243 -0.000 -11.498) 11.946 6.992 ( -6.030 -0.000 -1.439) 6.200 7.103 ( -5.130 -0.000 -8.408) 9.849 7.312 ( -2.717 -0.000 2.450) 3.658 7.335 ( -5.111 -0.000 3.501) 6.195 7.377 ( -5.877 -0.000 -2.733) 6.481 7.555 ( -2.244 -0.000 -5.239) 5.700 7.580 ( 6.113 0.000 -1.096) 6.211 8.276 ( -9.362 -0.000 0.753) 9.392 8.330 ( -1.246 -0.000 -9.047) 9.133 8.405 ( 7.565 0.000 -5.451) 9.325 8.615 ( 8.700 0.000 -2.981) 9.197 8.867 ( -3.164 -0.000 -5.155) 6.049 9.188 ( 5.100 0.000 5.200) 7.283 9.456 ( 19.678 0.000 12.162) 23.133 9.584 ( 1.554 0.000 0.922) 1.806 9.895 ( 4.289 0.000 -1.240) 4.465 10.587 ( 9.362 0.000 2.071) 9.588 11.268 ( -6.472 -0.000 12.340) 13.934 11.271 ( 7.475 0.000 -4.654) 8.805 12.329 ( -2.247 -0.000 13.063) 13.255 12.433 ( 1.166 0.000 3.586) 3.771 12.667 ( -6.537 -0.000 -16.076) 17.355 12.732 ( -8.954 -0.000 2.038) 9.183 13.097 ( 3.385 0.000 -4.614) 5.722 14.066 ( -6.831 -0.000 -6.716) 9.579 14.099 ( -0.825 -0.000 -3.427) 3.525 14.465 ( -7.467 -0.000 -21.493) 22.753 14.533 ( -1.415 -0.000 -6.972) 7.114 15.013 ( -1.937 -0.000 -2.674) 3.302 15.281 ( 1.349 0.000 10.664) 10.749 15.281 ( -5.585 -0.000 -2.281) 6.032 15.696 ( 2.834 0.000 4.510) 5.326 16.218 ( -0.155 -0.000 3.414) 3.418 16.427 ( 15.483 0.000 28.590) 32.513 16.429 ( 7.342 0.000 3.876) 8.302 17.021 ( -3.502 -0.000 -6.724) 7.582 24.376 ( 0.672 0.000 -1.048) 1.245 24.413 ( 2.461 0.000 1.170) 2.725 24.543 ( -2.217 -0.000 -1.192) 2.517 24.602 ( 0.893 0.000 1.137) 1.446 25.778 ( -3.735 -0.000 3.480) 5.105 26.176 ( 1.483 0.000 -1.097) 1.845 26.215 ( 0.907 0.000 5.734) 5.806 26.688 ( -3.827 -0.000 -9.715) 10.441 26.861 ( 1.490 0.000 7.078) 7.233 26.919 ( -1.799 -0.000 -3.089) 3.575 26.928 ( -13.106 -0.000 -23.346) 26.773 27.314 ( 1.139 0.000 -4.320) 4.468 28.556 ( -2.805 -0.000 4.567) 5.360 28.990 ( -5.292 -0.000 -1.923) 5.631 29.371 ( 22.804 0.000 37.930) 44.258 30.000 ( 11.847 0.000 -1.092) 11.897 ======================= Grid point 156 (69/140) ======================= q-point: (-0.11 -0.22 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 243 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.947 ( -14.133 -15.755 16.927) 27.101 1.105 ( -17.818 -21.389 11.088) 29.965 1.694 ( -2.039 1.068 2.546) 3.433 1.742 ( 0.264 -0.378 6.914) 6.930 2.002 ( -34.613 -23.278 30.655) 51.766 2.276 ( 7.883 -1.985 -9.102) 12.203 2.312 ( 3.091 0.976 -2.683) 4.208 2.762 ( 5.356 8.364 -3.189) 10.431 2.845 ( 4.410 -3.143 -6.670) 8.592 3.047 ( 5.227 3.316 1.402) 6.347 3.130 ( 2.510 -6.762 -3.379) 7.965 3.383 ( 3.842 1.353 1.547) 4.357 3.513 ( 2.016 -0.851 -2.777) 3.535 3.727 ( 4.364 4.875 -4.682) 8.046 3.924 ( -8.297 1.152 6.274) 10.466 4.115 ( -3.353 -0.513 5.379) 6.359 4.240 ( 0.561 -1.229 4.210) 4.421 4.340 ( 1.033 -5.803 -1.007) 5.980 4.722 ( -0.274 2.083 1.330) 2.486 4.888 ( 3.596 -4.257 -5.912) 8.124 5.057 ( -3.428 -6.254 -1.115) 7.219 5.251 ( 2.364 -1.811 -12.321) 12.676 5.413 ( -4.640 -4.852 -3.191) 7.433 5.714 ( 4.362 -0.196 -4.573) 6.322 5.835 ( -3.723 2.196 8.090) 9.172 6.094 ( -2.310 5.252 0.800) 5.793 6.117 ( 7.169 5.047 4.658) 9.928 6.368 ( -3.416 -7.644 3.510) 9.079 6.510 ( 0.361 11.772 -0.463) 11.786 6.649 ( -7.789 2.671 1.772) 8.423 6.735 ( -4.802 2.594 -3.795) 6.648 6.782 ( -0.825 1.274 3.860) 4.148 6.920 ( -12.549 0.494 -14.574) 19.239 7.086 ( -3.164 -4.036 -0.886) 5.204 7.187 ( -4.828 4.233 5.502) 8.456 7.392 ( -2.435 -6.871 2.576) 7.731 7.459 ( -3.053 -6.459 0.211) 7.148 7.553 ( 0.661 0.854 -2.099) 2.361 7.629 ( 6.065 -1.992 -2.008) 6.692 8.188 ( -6.314 1.382 2.060) 6.784 8.315 ( -2.768 -1.696 -8.689) 9.276 8.433 ( 7.019 2.629 -5.499) 9.297 8.664 ( 3.569 1.644 -2.067) 4.440 8.934 ( 0.494 -7.710 -10.626) 13.138 9.168 ( 5.811 6.789 3.492) 9.595 9.519 ( 9.222 4.034 4.942) 11.214 9.624 ( 0.990 1.401 -1.862) 2.532 9.939 ( 8.755 3.030 8.907) 12.852 10.666 ( 10.979 0.960 2.133) 11.226 11.212 ( -5.270 2.522 10.774) 12.256 11.336 ( 6.662 -3.020 -3.289) 8.020 12.286 ( -3.678 4.990 14.423) 15.699 12.373 ( 0.226 6.777 -2.064) 7.088 12.478 ( -6.968 7.736 -8.508) 13.446 12.783 ( -6.300 -7.984 -0.660) 10.191 13.261 ( 8.548 -12.778 -4.365) 15.981 13.899 ( -6.151 6.027 -8.189) 11.884 14.142 ( -2.748 -2.082 -1.944) 3.958 14.320 ( -3.055 5.273 -19.487) 20.418 14.532 ( -8.116 -1.399 -12.944) 15.342 15.002 ( -1.703 -1.538 -0.264) 2.310 15.224 ( -2.255 0.964 1.889) 3.096 15.354 ( 1.031 -3.777 7.682) 8.622 15.740 ( 2.300 -1.797 6.603) 7.219 16.190 ( -0.530 3.128 2.575) 4.086 16.384 ( 6.436 12.766 23.992) 27.929 16.569 ( 9.457 -1.172 9.217) 13.257 16.982 ( -3.231 0.741 -5.793) 6.674 24.367 ( 1.144 1.262 -0.302) 1.730 24.454 ( 2.137 -1.677 0.709) 2.807 24.515 ( -2.226 0.673 -1.062) 2.556 24.619 ( 0.835 -0.957 0.703) 1.451 25.769 ( -3.163 -1.518 3.017) 4.627 26.104 ( -0.357 7.515 -0.120) 7.525 26.224 ( -0.706 0.555 3.241) 3.363 26.393 ( -15.972 8.982 -9.595) 20.684 26.775 ( 0.503 2.024 6.511) 6.837 26.814 ( -1.399 3.029 0.239) 3.345 27.342 ( 8.697 -19.598 -12.560) 24.849 27.435 ( -0.918 -16.767 -17.456) 24.221 28.559 ( -2.078 -1.980 3.797) 4.760 28.938 ( -3.889 1.369 -1.727) 4.470 29.496 ( 17.980 11.522 35.848) 41.727 30.084 ( 13.546 2.734 0.319) 13.823 ======================= Grid point 165 (70/140) ======================= q-point: (-0.11 -0.11 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 135 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.698 ( -15.295 -0.000 24.055) 28.506 0.717 ( -17.994 -0.000 24.093) 30.071 1.471 ( -38.619 -0.000 42.309) 57.284 1.734 ( 0.455 0.000 0.799) 0.919 1.774 ( 1.614 0.000 11.658) 11.769 2.305 ( 8.884 0.000 -10.066) 13.426 2.343 ( 2.357 0.000 -2.765) 3.633 2.830 ( 5.476 0.000 -5.319) 7.634 2.902 ( 2.470 0.000 -1.033) 2.677 3.063 ( 3.871 0.000 -6.175) 7.288 3.145 ( 1.752 0.000 -0.151) 1.759 3.424 ( 2.600 0.000 3.936) 4.717 3.519 ( 1.335 0.000 -2.363) 2.714 3.814 ( 7.237 0.000 -4.062) 8.299 3.856 ( -10.379 -0.000 7.008) 12.523 4.114 ( -3.669 -0.000 1.575) 3.992 4.192 ( 0.055 0.000 2.276) 2.277 4.309 ( 0.446 0.000 3.282) 3.312 4.730 ( -3.218 -0.000 -0.389) 3.241 4.861 ( 6.391 0.000 -6.806) 9.336 4.971 ( -2.507 -0.000 -0.965) 2.686 5.253 ( 1.441 0.000 -17.592) 17.651 5.299 ( -7.961 -0.000 0.560) 7.981 5.731 ( 3.772 0.000 -6.151) 7.215 5.844 ( -2.804 -0.000 9.414) 9.823 6.149 ( -4.967 -0.000 2.049) 5.373 6.248 ( 1.475 0.000 3.861) 4.134 6.251 ( 10.289 0.000 1.645) 10.419 6.613 ( -6.460 -0.000 0.230) 6.464 6.667 ( -13.256 -0.000 -12.514) 18.230 6.680 ( -5.448 -0.000 4.963) 7.370 6.763 ( -6.195 -0.000 -4.440) 7.622 6.910 ( -3.212 -0.000 -1.916) 3.740 6.927 ( -6.724 -0.000 -7.856) 10.341 7.232 ( -7.652 -0.000 0.531) 7.671 7.268 ( -3.519 -0.000 0.520) 3.558 7.300 ( -2.009 -0.000 4.201) 4.657 7.575 ( 4.841 0.000 -5.725) 7.498 7.652 ( 3.104 0.000 -0.158) 3.108 8.132 ( -8.522 -0.000 2.906) 9.004 8.283 ( -1.184 -0.000 -9.053) 9.130 8.520 ( 7.389 0.000 -5.056) 8.953 8.735 ( 7.160 0.000 -0.527) 7.179 8.803 ( -2.872 -0.000 -6.081) 6.725 9.286 ( 4.783 0.000 4.149) 6.332 9.594 ( -0.429 -0.000 4.858) 4.877 9.668 ( 3.744 0.000 -4.781) 6.073 10.161 ( 27.702 0.000 15.716) 31.849 10.762 ( 11.261 0.000 2.766) 11.596 11.173 ( -8.739 -0.000 11.127) 14.148 11.370 ( 5.569 0.000 -4.635) 7.245 12.325 ( -1.650 -0.000 13.414) 13.515 12.453 ( 0.275 0.000 2.732) 2.746 12.535 ( -4.768 -0.000 -14.846) 15.593 12.602 ( -7.810 -0.000 1.346) 7.925 13.139 ( 3.029 0.000 -1.239) 3.273 13.879 ( -16.040 -0.000 -16.805) 23.232 14.064 ( -1.542 -0.000 -1.286) 2.008 14.262 ( -9.943 -0.000 -6.606) 11.937 14.528 ( 2.207 0.000 -15.695) 15.849 14.968 ( -2.706 -0.000 0.937) 2.863 15.212 ( -2.663 -0.000 -0.421) 2.696 15.335 ( 2.017 0.000 13.328) 13.480 15.749 ( 1.861 0.000 8.000) 8.214 16.210 ( -1.201 -0.000 -0.573) 1.330 16.544 ( 5.157 0.000 3.644) 6.314 16.841 ( 27.555 0.000 21.327) 34.844 16.951 ( -2.739 -0.000 -7.008) 7.524 24.389 ( 1.093 0.000 -0.501) 1.202 24.458 ( 2.817 0.000 1.501) 3.192 24.499 ( -2.818 -0.000 -1.279) 3.095 24.610 ( -0.064 -0.000 0.483) 0.487 25.732 ( -2.890 -0.000 3.441) 4.494 26.192 ( -0.093 -0.000 -2.261) 2.263 26.223 ( -1.059 -0.000 3.102) 3.278 26.349 ( -28.419 -0.000 -25.798) 38.382 26.815 ( -0.394 -0.000 0.792) 0.884 26.899 ( 0.061 0.000 -1.376) 1.378 26.925 ( 5.087 0.000 6.291) 8.090 27.319 ( 0.776 0.000 -4.628) 4.693 28.530 ( -1.630 -0.000 3.616) 3.967 28.921 ( -2.723 -0.000 -2.264) 3.541 29.996 ( 43.994 0.000 36.396) 57.098 30.158 ( 7.477 0.000 0.700) 7.510 ======================= Grid point 166 (71/140) ======================= q-point: ( 0.00 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.113 ( -4.914 -0.000 25.715) 26.181 1.204 ( 0.003 0.000 26.356) 26.356 1.642 ( -12.257 -0.000 7.722) 14.486 1.694 ( -4.992 -0.000 -0.274) 4.999 2.194 ( 2.455 0.000 -12.411) 12.651 2.238 ( 17.206 0.000 -16.675) 23.960 2.506 ( -5.481 -0.000 45.669) 45.997 2.850 ( 2.781 0.000 -1.300) 3.070 2.895 ( -0.795 -0.000 2.619) 2.737 3.079 ( 7.170 0.000 -1.143) 7.261 3.134 ( -4.433 -0.000 4.763) 6.507 3.513 ( -2.707 -0.000 1.025) 2.894 3.520 ( 3.285 0.000 -0.889) 3.404 3.890 ( -8.973 -0.000 10.428) 13.757 3.957 ( 10.921 0.000 0.196) 10.922 4.015 ( -4.794 -0.000 3.983) 6.233 4.260 ( -0.500 -0.000 4.211) 4.240 4.261 ( -0.978 -0.000 -13.400) 13.436 4.648 ( 1.094 0.000 -19.401) 19.432 4.668 ( -0.088 -0.000 -16.250) 16.250 4.839 ( -0.482 -0.000 -2.241) 2.292 5.001 ( 6.477 0.000 -3.426) 7.328 5.379 ( 4.511 0.000 4.962) 6.706 5.631 ( 2.934 0.000 -7.669) 8.212 6.022 ( -8.511 -0.000 11.429) 14.250 6.133 ( -0.669 -0.000 1.176) 1.353 6.224 ( -2.713 -0.000 3.387) 4.340 6.335 ( -2.952 -0.000 1.409) 3.271 6.379 ( 3.638 0.000 -0.838) 3.733 6.556 ( -1.324 -0.000 0.501) 1.416 6.646 ( -7.467 -0.000 0.651) 7.495 6.745 ( 1.401 0.000 -0.719) 1.574 6.850 ( 2.965 0.000 -3.709) 4.749 6.865 ( 8.609 0.000 -4.842) 9.877 7.220 ( -5.883 -0.000 2.521) 6.401 7.319 ( -5.554 -0.000 11.646) 12.902 7.398 ( 6.301 0.000 1.593) 6.499 7.603 ( 3.687 0.000 2.159) 4.273 7.664 ( 1.582 0.000 -2.612) 3.054 8.021 ( 0.567 0.000 -14.226) 14.237 8.173 ( -3.849 -0.000 7.884) 8.774 8.471 ( 1.135 0.000 -6.643) 6.739 8.681 ( 4.510 0.000 -3.248) 5.558 8.745 ( -0.724 -0.000 -4.616) 4.673 9.367 ( -1.185 -0.000 1.294) 1.754 9.505 ( 0.562 0.000 -7.458) 7.480 9.824 ( 1.644 0.000 12.915) 13.019 10.309 ( -6.554 -0.000 -9.348) 11.417 11.020 ( 5.339 0.000 6.444) 8.368 11.287 ( -1.916 -0.000 -6.844) 7.107 11.340 ( -7.544 -0.000 18.075) 19.586 12.139 ( 6.687 0.000 -20.218) 21.296 12.447 ( 5.779 0.000 0.515) 5.802 12.477 ( -6.647 -0.000 -1.247) 6.763 12.771 ( -5.775 -0.000 21.175) 21.949 13.225 ( 6.549 0.000 0.156) 6.550 13.635 ( 1.698 0.000 1.113) 2.030 14.050 ( -1.126 -0.000 -15.909) 15.949 14.103 ( 1.579 0.000 -4.455) 4.726 14.188 ( 0.005 0.000 -3.337) 3.337 15.034 ( 0.077 0.000 4.807) 4.808 15.178 ( 0.305 0.000 -1.824) 1.850 15.683 ( 2.957 0.000 13.491) 13.811 16.053 ( 4.623 0.000 13.974) 14.719 16.083 ( -6.271 -0.000 -4.777) 7.883 16.578 ( -6.367 -0.000 -4.485) 7.788 16.819 ( 6.548 0.000 -2.843) 7.139 16.976 ( -6.424 -0.000 -5.816) 8.666 24.412 ( 1.695 0.000 0.439) 1.751 24.436 ( -2.453 -0.000 -0.819) 2.586 24.546 ( 2.958 0.000 1.682) 3.403 24.593 ( -1.803 -0.000 -0.709) 1.937 25.784 ( -1.598 -0.000 4.656) 4.922 25.945 ( 2.051 0.000 -2.784) 3.458 26.218 ( -4.226 -0.000 1.121) 4.372 26.239 ( 2.571 0.000 0.473) 2.614 26.891 ( 0.135 0.000 5.370) 5.371 26.925 ( 2.484 0.000 1.106) 2.719 27.016 ( 2.603 0.000 -2.975) 3.953 27.190 ( 0.728 0.000 -7.980) 8.014 28.609 ( -0.554 -0.000 5.472) 5.500 28.823 ( 0.044 0.000 -4.657) 4.657 30.284 ( 2.049 0.000 3.341) 3.919 30.408 ( -7.619 -0.000 -2.564) 8.039 ======================= Grid point 167 (72/140) ======================= q-point: ( 0.11 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 244 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.191 ( -0.412 -7.990 22.035) 23.443 1.309 ( -1.618 -8.793 18.844) 20.857 1.577 ( -2.609 1.593 -4.296) 5.273 1.761 ( -5.388 -11.839 8.609) 15.598 2.209 ( 1.121 -0.543 -10.560) 10.633 2.377 ( 13.425 -2.328 -12.996) 18.830 2.601 ( -0.959 -8.702 34.081) 35.187 2.789 ( -0.414 8.060 0.335) 8.077 2.880 ( 0.142 -2.771 2.814) 3.951 3.124 ( -2.830 -1.351 3.941) 5.036 3.178 ( 4.622 -2.693 2.283) 5.816 3.449 ( -5.816 1.798 0.575) 6.115 3.524 ( 1.193 0.839 -2.094) 2.552 3.760 ( -7.051 6.794 5.182) 11.078 3.975 ( 6.817 2.223 1.716) 7.373 4.136 ( 2.030 -9.265 7.061) 11.825 4.222 ( -4.409 0.371 -2.024) 4.866 4.326 ( -2.314 -6.328 -2.383) 7.147 4.630 ( 1.323 -1.531 -18.762) 18.871 4.767 ( 1.518 -4.567 -2.574) 5.458 4.821 ( -0.403 -5.379 -13.315) 14.366 5.106 ( 3.368 -5.171 -4.878) 7.866 5.433 ( 10.130 0.981 1.966) 10.366 5.674 ( 5.247 -1.659 -8.213) 9.887 5.907 ( -4.563 4.881 10.030) 12.052 6.129 ( -3.390 1.274 1.159) 3.803 6.206 ( 1.454 2.172 4.784) 5.452 6.298 ( -3.919 2.286 -0.955) 4.636 6.433 ( -5.746 8.124 3.701) 10.616 6.494 ( 3.742 -7.193 -1.304) 8.212 6.590 ( 3.912 -1.102 -0.156) 4.067 6.714 ( 6.710 6.631 -4.916) 10.638 6.845 ( -2.451 -5.510 4.177) 7.336 7.058 ( 0.720 -0.704 2.907) 3.076 7.254 ( 4.350 -8.350 -4.447) 10.412 7.298 ( -4.850 -2.459 7.006) 8.868 7.506 ( 7.380 -3.609 -2.169) 8.496 7.577 ( 0.855 1.636 -0.185) 1.856 7.736 ( 1.044 -3.246 1.233) 3.626 8.003 ( 0.660 -0.838 -9.389) 9.450 8.187 ( -2.634 -3.172 3.596) 5.471 8.443 ( -0.987 1.975 -5.757) 6.166 8.696 ( -3.761 3.333 -3.621) 6.194 8.728 ( 5.168 -0.405 -2.952) 5.965 9.302 ( -1.969 6.185 0.970) 6.563 9.449 ( 0.558 5.313 -5.827) 7.905 9.838 ( -0.888 0.501 10.616) 10.665 10.088 ( -12.374 10.799 -3.900) 16.881 11.043 ( -0.792 0.159 6.735) 6.784 11.232 ( -4.902 3.276 0.477) 5.915 11.355 ( -3.317 -4.067 7.161) 8.878 12.116 ( 8.713 7.558 -16.679) 20.279 12.359 ( -3.283 6.159 2.077) 7.282 12.483 ( 5.775 1.405 0.175) 5.946 12.825 ( -6.188 -7.338 16.436) 19.034 13.366 ( 3.494 -8.817 -2.125) 9.719 13.654 ( 6.296 1.060 -0.364) 6.395 13.925 ( -3.939 8.342 -19.942) 21.972 14.124 ( 2.437 0.896 0.242) 2.607 14.219 ( 8.022 -2.218 -5.986) 10.252 15.053 ( 1.000 -0.980 4.056) 4.291 15.180 ( 0.822 0.278 -2.261) 2.422 15.715 ( 0.785 0.290 12.466) 12.494 16.018 ( -7.115 0.592 -3.980) 8.174 16.115 ( 4.152 -0.884 13.845) 14.481 16.533 ( -6.158 -1.457 -5.463) 8.360 16.735 ( -5.285 9.699 5.713) 12.436 16.930 ( -0.106 -0.630 -4.050) 4.100 24.400 ( -1.679 1.095 0.129) 2.008 24.431 ( 1.250 -0.085 -0.207) 1.270 24.569 ( 0.757 -0.123 1.140) 1.374 24.588 ( -1.046 -1.008 -0.794) 1.655 25.792 ( 0.551 -0.769 4.150) 4.256 25.950 ( 3.788 2.609 -2.646) 5.307 26.199 ( -2.922 -0.369 0.528) 2.992 26.265 ( 5.095 -0.341 1.163) 5.237 26.900 ( -0.614 -0.438 6.925) 6.966 26.910 ( -0.045 3.490 2.829) 4.493 27.116 ( 1.157 -9.457 -9.082) 13.162 27.305 ( 4.439 -10.647 -11.843) 16.532 28.630 ( 0.505 -1.665 5.258) 5.538 28.820 ( 1.276 0.397 -4.255) 4.460 30.084 ( -12.454 16.149 10.602) 22.985 30.275 ( -7.215 6.348 -0.841) 9.647 ======================= Grid point 168 (73/140) ======================= q-point: ( 0.22 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 244 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.366 ( 4.034 -6.968 8.449) 11.671 1.521 ( -2.383 -5.872 3.048) 7.032 1.572 ( -0.281 -12.124 4.099) 12.802 1.964 ( 0.431 -10.376 10.977) 15.111 2.168 ( -2.542 2.832 -2.590) 4.604 2.491 ( 6.649 -2.529 -7.566) 10.385 2.669 ( 3.473 5.124 -0.774) 6.238 2.804 ( 2.103 -9.232 0.112) 9.470 2.987 ( -0.417 -5.765 10.388) 11.888 3.128 ( -4.839 -2.172 8.634) 10.133 3.190 ( 3.270 3.977 -2.948) 5.932 3.415 ( -4.619 2.662 0.772) 5.387 3.510 ( -5.069 -4.539 1.436) 6.954 3.644 ( 0.814 0.854 0.380) 1.239 3.987 ( 2.836 2.552 4.973) 6.267 4.172 ( -2.241 1.696 3.860) 4.774 4.335 ( -0.564 -11.499 3.122) 11.929 4.392 ( -3.388 -3.369 3.598) 5.981 4.668 ( 6.345 -2.367 -13.551) 15.149 4.831 ( -0.946 -6.812 6.802) 9.673 5.017 ( -1.634 -13.936 -19.119) 23.715 5.203 ( 2.849 -4.801 -4.213) 6.994 5.505 ( 7.523 -0.475 -0.928) 7.595 5.729 ( 6.338 -0.113 -3.825) 7.403 5.815 ( -2.896 3.989 8.668) 9.971 6.036 ( -8.107 4.269 3.130) 9.682 6.129 ( 1.317 8.949 3.701) 9.773 6.227 ( 1.836 3.437 -3.287) 5.098 6.331 ( -2.457 -1.119 -0.276) 2.714 6.561 ( 4.186 5.133 -4.289) 7.891 6.683 ( 4.154 -4.956 1.405) 6.617 6.753 ( 6.361 -4.675 -1.118) 7.973 6.887 ( -1.534 -1.326 4.549) 4.981 7.073 ( -1.547 -3.439 5.027) 6.284 7.273 ( -1.694 0.600 6.573) 6.814 7.465 ( 2.066 -6.290 0.985) 6.694 7.549 ( 3.436 -0.188 -2.585) 4.304 7.627 ( 4.000 -3.352 -8.699) 10.145 7.782 ( 2.850 -1.817 0.114) 3.382 8.058 ( 0.605 -4.034 -7.629) 8.652 8.224 ( -3.070 -2.875 -0.424) 4.228 8.375 ( -2.763 3.847 -3.468) 5.871 8.549 ( -6.872 6.957 -0.070) 9.779 8.773 ( 6.095 0.533 0.044) 6.118 9.131 ( -3.082 9.921 -0.408) 10.396 9.357 ( 2.681 5.565 -4.806) 7.827 9.767 ( -10.195 3.670 2.925) 11.224 9.895 ( -1.491 3.828 -0.312) 4.120 10.987 ( -10.751 3.210 7.128) 13.293 11.142 ( 2.395 4.032 6.665) 8.150 11.413 ( -4.756 -5.406 -1.661) 7.390 12.007 ( 9.579 9.872 -12.274) 18.435 12.226 ( -1.946 7.076 3.280) 8.038 12.496 ( 4.675 2.917 3.749) 6.665 12.931 ( -3.554 -7.265 10.026) 12.881 13.516 ( 0.936 -6.476 -1.982) 6.837 13.685 ( -4.615 5.411 -13.662) 15.403 13.728 ( 5.813 1.987 -9.638) 11.430 14.114 ( 1.628 1.740 -0.279) 2.399 14.371 ( 14.017 -5.168 -7.427) 16.683 15.089 ( 2.258 -1.115 2.813) 3.775 15.171 ( 0.703 1.113 -2.605) 2.919 15.701 ( -2.485 2.220 10.316) 10.841 15.936 ( -6.339 2.081 -4.725) 8.176 16.175 ( 1.793 -1.014 15.715) 15.850 16.517 ( -3.318 0.550 -0.743) 3.444 16.547 ( -8.787 2.944 9.030) 12.940 16.937 ( 2.773 1.083 -4.341) 5.263 24.368 ( -1.958 0.787 0.002) 2.110 24.446 ( 2.550 0.072 0.075) 2.552 24.559 ( -2.905 -0.181 -0.433) 2.943 24.606 ( 0.936 -0.600 0.510) 1.223 25.821 ( 1.685 -0.726 2.824) 3.367 25.922 ( 1.910 2.167 -0.915) 3.030 26.176 ( -1.924 0.503 0.566) 2.068 26.317 ( 6.745 1.060 -0.095) 6.829 26.857 ( -3.084 0.880 7.118) 7.807 26.914 ( -0.877 -0.645 9.000) 9.066 27.277 ( -0.053 -9.285 -11.655) 14.901 27.529 ( 5.992 -10.662 -19.242) 22.800 28.686 ( 1.581 -3.125 4.298) 5.544 28.820 ( 2.249 0.651 -3.037) 3.835 29.722 ( -13.919 12.799 15.707) 24.582 30.060 ( -6.894 11.043 -1.496) 13.104 ======================= Grid point 169 (74/140) ======================= q-point: ( 0.33 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 244 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.510 ( 2.334 -6.385 0.210) 6.801 1.562 ( 1.465 -2.788 -0.462) 3.183 1.800 ( -6.024 -7.626 7.311) 12.161 2.080 ( 2.414 -1.361 0.372) 2.796 2.209 ( 5.218 -8.871 4.735) 11.328 2.544 ( -0.853 -3.385 11.384) 11.908 2.695 ( 7.396 -0.866 -9.401) 11.993 2.923 ( -1.072 -1.848 -5.887) 6.263 2.983 ( -3.461 1.649 0.132) 3.836 3.095 ( 1.151 2.752 1.007) 3.149 3.220 ( -1.195 -3.744 4.539) 6.003 3.249 ( -3.865 8.143 -2.236) 9.287 3.591 ( -4.452 -2.913 2.057) 5.704 3.697 ( 5.127 -2.485 -5.336) 7.806 3.968 ( -2.785 -1.860 13.599) 14.005 4.110 ( -3.884 4.920 2.247) 6.659 4.428 ( 0.880 -4.986 -4.764) 6.952 4.581 ( 1.100 -15.067 11.395) 18.923 4.793 ( 7.897 -5.139 -4.592) 10.481 4.956 ( -2.340 -6.667 7.315) 10.171 5.192 ( -1.257 -8.456 -8.030) 11.728 5.314 ( 0.145 -7.530 -10.261) 12.729 5.556 ( 4.326 -0.187 -2.328) 4.916 5.714 ( 2.845 6.725 7.165) 10.230 5.793 ( -0.974 -2.620 1.734) 3.290 5.879 ( -7.345 6.013 2.353) 9.780 6.003 ( -1.621 5.100 5.153) 7.429 6.179 ( 4.158 4.797 -4.155) 7.587 6.356 ( -0.025 -0.752 -3.956) 4.027 6.495 ( 2.355 2.389 -3.210) 4.643 6.776 ( 2.961 -2.579 3.740) 5.423 6.848 ( 4.550 -0.880 -0.963) 4.733 6.950 ( 4.134 -3.918 0.557) 5.723 7.130 ( -0.215 -1.618 4.632) 4.911 7.256 ( -2.526 -0.334 4.030) 4.768 7.481 ( -3.209 1.703 7.705) 8.519 7.613 ( 1.565 -4.799 -3.094) 5.921 7.739 ( 3.359 -5.345 -9.416) 11.336 7.849 ( 5.694 -1.465 -0.551) 5.906 8.050 ( 1.317 6.208 -13.511) 14.927 8.223 ( -6.326 -1.676 -0.652) 6.577 8.277 ( -6.219 1.315 0.825) 6.410 8.416 ( -0.458 3.909 3.596) 5.331 8.804 ( 5.737 1.614 3.915) 7.130 8.962 ( -2.010 5.891 -3.857) 7.323 9.283 ( 2.229 4.392 -6.221) 7.935 9.651 ( -8.087 1.004 -1.776) 8.341 9.825 ( -0.429 4.227 0.840) 4.331 10.817 ( -9.469 6.025 7.242) 13.357 11.142 ( 1.741 -0.144 8.532) 8.709 11.453 ( -4.043 -3.510 -4.991) 7.319 11.932 ( 8.798 5.487 -10.647) 14.862 12.099 ( -1.269 6.062 3.640) 7.184 12.455 ( 1.544 4.856 8.490) 9.902 13.041 ( 0.169 -5.880 3.050) 6.626 13.479 ( -4.999 7.497 -16.216) 18.551 13.615 ( 2.469 -3.671 -1.931) 4.827 13.813 ( 3.253 -4.275 -6.551) 8.472 14.094 ( 0.705 1.435 -0.762) 1.771 14.572 ( 13.329 -5.444 -6.228) 15.687 15.131 ( 1.364 -1.163 -0.173) 1.800 15.150 ( 1.668 1.493 -1.111) 2.498 15.629 ( -4.336 3.769 8.677) 10.406 15.837 ( -5.404 3.012 -4.337) 7.556 16.209 ( -0.515 -0.228 15.791) 15.801 16.431 ( -4.695 2.012 14.987) 15.834 16.553 ( -2.903 -3.748 -4.426) 6.485 16.921 ( 2.550 2.506 -4.938) 6.096 24.343 ( -1.421 0.546 -0.096) 1.525 24.469 ( 3.016 -0.042 0.175) 3.021 24.536 ( -3.307 -0.160 -0.456) 3.342 24.620 ( 0.524 -0.270 0.490) 0.767 25.835 ( 0.825 0.564 0.530) 1.131 25.921 ( 1.848 -0.235 0.952) 2.092 26.159 ( -1.446 -0.044 0.912) 1.710 26.318 ( 4.794 3.812 -1.392) 6.281 26.854 ( -3.719 -1.994 11.999) 12.719 26.928 ( -0.939 -0.563 11.184) 11.238 27.403 ( 0.481 -6.596 -13.948) 15.436 27.692 ( 4.783 -5.544 -22.304) 23.475 28.765 ( 1.624 -3.511 2.602) 4.662 28.827 ( 2.918 0.581 -0.874) 3.101 29.482 ( -9.720 5.673 13.208) 17.352 29.810 ( -6.122 10.686 -0.882) 12.347 ======================= Grid point 170 (75/140) ======================= q-point: ( 0.44 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 244 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.604 ( -1.733 -1.582 -0.533) 2.407 1.640 ( 3.894 -3.920 1.895) 5.841 1.797 ( -2.651 -0.524 2.244) 3.512 2.109 ( -2.415 -2.128 2.328) 3.973 2.451 ( 9.631 -6.269 0.906) 11.527 2.650 ( -4.545 -7.197 13.497) 15.957 2.689 ( 3.042 6.079 -5.001) 8.439 2.800 ( -1.168 7.216 1.724) 7.511 2.977 ( -0.577 -0.812 -6.827) 6.899 3.071 ( -1.310 3.248 0.606) 3.554 3.148 ( -0.242 1.067 -3.835) 3.988 3.264 ( 0.208 -3.304 3.710) 4.972 3.561 ( -5.473 -1.309 2.668) 6.227 3.743 ( 6.591 3.597 -5.455) 9.281 3.977 ( -4.881 3.641 0.424) 6.104 4.049 ( 0.021 -5.404 8.025) 9.675 4.500 ( -2.428 -3.477 -5.603) 7.027 4.883 ( 2.657 -12.763 8.803) 15.730 4.890 ( 2.316 0.995 6.266) 6.754 5.047 ( 2.961 -4.521 3.261) 6.312 5.225 ( -1.714 2.545 -3.606) 4.735 5.433 ( -3.250 -5.857 -9.070) 11.275 5.557 ( 0.345 2.475 3.394) 4.215 5.667 ( 4.958 1.178 3.057) 5.942 5.752 ( -3.975 1.608 1.985) 4.725 5.809 ( -2.837 -0.579 2.358) 3.734 5.949 ( -1.491 0.383 4.819) 5.059 6.116 ( 4.282 5.356 -3.294) 7.608 6.335 ( -0.890 0.068 -4.790) 4.873 6.541 ( 1.765 -4.307 -6.309) 7.840 6.840 ( -0.533 -3.222 5.068) 6.029 6.884 ( 3.790 0.258 0.075) 3.800 7.033 ( 3.339 -0.911 -0.960) 3.592 7.090 ( 1.435 5.810 0.595) 6.014 7.279 ( 0.171 -2.334 4.257) 4.858 7.425 ( -6.518 0.904 8.382) 10.657 7.685 ( -5.385 -3.322 -7.542) 9.844 7.801 ( 1.535 -0.808 -2.780) 3.277 7.873 ( 4.267 5.678 -6.659) 9.736 7.941 ( 5.516 2.797 -0.265) 6.190 8.192 ( -1.955 -0.596 -0.697) 2.159 8.246 ( -7.080 -3.251 -6.153) 9.927 8.412 ( 4.077 -0.183 7.119) 8.205 8.816 ( 0.863 0.761 6.091) 6.199 8.889 ( 1.957 2.141 -7.681) 8.211 9.246 ( 0.226 -0.550 -7.933) 7.955 9.568 ( -4.031 3.232 -3.522) 6.253 9.768 ( -0.242 1.299 2.717) 3.021 10.683 ( -3.349 3.808 6.967) 8.617 11.176 ( -1.233 -2.091 9.074) 9.393 11.462 ( 0.124 -0.148 -5.465) 5.469 11.913 ( 2.876 1.533 -9.874) 10.398 12.026 ( 0.690 1.782 2.372) 3.046 12.400 ( -0.619 2.358 10.920) 11.189 13.119 ( -0.289 -1.639 -2.546) 3.042 13.346 ( -0.955 1.631 -13.611) 13.742 13.670 ( 3.961 0.294 -1.550) 4.264 13.888 ( 0.709 -2.962 -7.087) 7.714 14.078 ( -0.583 0.234 -1.309) 1.452 14.725 ( 6.313 -2.689 -3.463) 7.686 15.091 ( -3.813 2.175 -3.758) 5.778 15.197 ( 5.038 -1.410 1.888) 5.562 15.541 ( -2.944 3.276 6.802) 8.103 15.759 ( -2.209 1.146 -3.367) 4.187 16.219 ( -1.506 -0.198 14.506) 14.585 16.407 ( -3.284 -0.299 15.764) 16.106 16.597 ( -0.216 -3.269 -4.425) 5.505 16.883 ( 1.312 2.866 -5.259) 6.131 24.328 ( -0.525 0.288 -0.122) 0.611 24.493 ( 2.681 0.127 -0.085) 2.685 24.513 ( -2.809 -0.240 -0.010) 2.820 24.627 ( 0.207 -0.226 0.260) 0.402 25.829 ( 0.156 0.304 -0.037) 0.344 25.943 ( 0.853 -0.642 0.577) 1.214 26.159 ( -1.100 -0.955 1.531) 2.113 26.276 ( 2.121 3.419 -1.559) 4.315 26.877 ( -2.888 -1.605 13.984) 14.369 26.944 ( -1.309 -0.552 13.241) 13.317 27.481 ( 1.653 -3.276 -15.770) 16.191 27.743 ( 3.540 0.451 -22.795) 23.072 28.809 ( 0.200 -0.131 0.628) 0.672 28.853 ( 1.590 -1.188 2.238) 2.991 29.406 ( -3.212 -1.481 7.509) 8.301 29.615 ( -3.383 6.658 1.782) 7.678 ======================= Grid point 171 (76/140) ======================= q-point: (-0.44 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 244 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.549 ( -2.674 3.729 0.711) 4.644 1.699 ( 1.317 0.325 0.856) 1.604 1.869 ( 3.210 -5.500 -0.732) 6.410 2.137 ( -2.105 -2.406 3.147) 4.486 2.395 ( -6.984 9.281 5.800) 12.982 2.525 ( 0.780 11.457 -5.171) 12.594 2.666 ( -4.049 7.200 11.523) 14.178 2.824 ( 5.738 -4.121 1.112) 7.151 2.997 ( 0.539 -3.049 -5.779) 6.556 3.079 ( 1.942 -0.355 1.589) 2.535 3.090 ( 4.629 0.704 -2.572) 5.342 3.367 ( -3.153 -6.983 4.236) 8.755 3.585 ( -2.114 -3.163 -2.760) 4.700 3.639 ( 0.475 7.923 0.655) 7.964 3.970 ( 2.540 -1.898 -0.071) 3.171 4.119 ( -0.684 -0.866 4.156) 4.300 4.495 ( -4.948 -0.839 -5.479) 7.430 4.815 ( -2.160 7.953 12.571) 15.031 4.953 ( -1.814 5.896 2.120) 6.523 5.041 ( -4.493 8.524 4.404) 10.594 5.203 ( 9.485 -0.628 -6.111) 11.301 5.450 ( -1.014 -0.759 -7.966) 8.066 5.526 ( -2.561 0.660 4.896) 5.565 5.694 ( 2.634 0.435 4.216) 4.991 5.775 ( 1.553 -3.659 2.439) 4.664 5.849 ( -1.048 -5.811 1.239) 6.033 5.949 ( -2.165 -0.569 3.335) 4.017 6.079 ( 4.830 1.797 -3.942) 6.488 6.347 ( -5.020 -4.386 -5.550) 8.674 6.601 ( -0.526 -1.974 -7.785) 8.048 6.881 ( -3.883 -1.600 3.912) 5.739 6.911 ( -0.017 -1.181 5.412) 5.540 6.945 ( -1.414 5.231 -2.190) 5.844 7.077 ( 6.279 3.367 -1.695) 7.324 7.334 ( -0.843 -4.053 6.414) 7.634 7.383 ( -3.295 0.639 8.571) 9.204 7.613 ( -5.818 2.540 -7.297) 9.672 7.763 ( 1.107 6.469 -3.647) 7.509 7.805 ( 0.670 3.795 -2.689) 4.699 7.992 ( 7.101 -2.140 2.341) 7.777 8.230 ( -4.722 -2.010 -10.548) 11.730 8.259 ( 3.255 -4.552 -2.364) 6.075 8.476 ( 2.555 -2.570 8.750) 9.471 8.804 ( -3.867 -1.279 -2.499) 4.779 8.894 ( 3.735 -0.230 -1.656) 4.092 9.276 ( -1.699 -3.823 -9.008) 9.932 9.493 ( 1.642 2.755 -1.418) 3.507 9.787 ( 0.873 -2.635 2.668) 3.851 10.657 ( 3.812 0.491 7.335) 8.281 11.213 ( -3.667 -3.273 9.102) 10.345 11.453 ( 4.120 2.187 -5.014) 6.849 11.885 ( -3.345 -0.014 -9.139) 9.732 12.060 ( 2.235 -3.804 0.396) 4.430 12.399 ( -2.945 -1.958 11.549) 12.078 13.078 ( -2.912 2.677 -4.044) 5.657 13.388 ( 5.152 -4.529 -12.500) 14.258 13.662 ( 5.056 4.567 -1.389) 6.953 13.902 ( -1.833 -0.146 -8.037) 8.245 14.077 ( -1.463 -1.327 -1.255) 2.340 14.713 ( -6.675 3.970 -2.685) 8.217 15.034 ( -0.934 0.632 -1.422) 1.815 15.248 ( 1.270 -0.460 -0.024) 1.351 15.509 ( 1.613 0.142 6.976) 7.161 15.770 ( 2.906 -2.162 -2.581) 4.447 16.226 ( -1.986 -0.263 12.827) 12.983 16.416 ( -2.720 -1.419 15.627) 15.925 16.651 ( 3.225 -2.054 -3.618) 5.264 16.835 ( -0.983 1.908 -5.385) 5.797 24.325 ( 0.493 -0.031 -0.044) 0.496 24.491 ( -2.425 -0.187 -0.071) 2.433 24.514 ( 2.244 0.400 0.053) 2.280 24.633 ( 0.120 -0.323 0.047) 0.347 25.828 ( -0.325 -0.229 0.004) 0.398 25.955 ( -0.771 -0.642 0.234) 1.030 26.175 ( -0.971 -1.424 1.669) 2.399 26.243 ( 0.104 1.035 -1.180) 1.574 26.890 ( -1.471 -0.170 12.813) 12.898 26.952 ( -2.450 -0.085 14.797) 14.999 27.506 ( 3.032 0.479 -16.162) 16.451 27.687 ( 2.972 5.768 -22.289) 23.214 28.789 ( -0.905 2.112 1.624) 2.814 28.871 ( -2.007 -0.741 1.689) 2.726 29.466 ( 0.935 -3.328 4.799) 5.915 29.573 ( 3.324 -3.619 3.368) 5.957 ======================= Grid point 172 (77/140) ======================= q-point: (-0.33 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 244 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.473 ( -1.211 3.756 -0.859) 4.038 1.653 ( -2.075 4.025 -2.595) 5.219 1.917 ( -1.695 5.693 8.716) 10.548 2.138 ( 0.140 0.404 -1.101) 1.181 2.225 ( -3.546 6.189 9.082) 11.548 2.336 ( 0.716 7.910 -4.162) 8.967 2.501 ( -2.843 5.209 5.316) 7.968 2.896 ( 1.546 -0.273 3.314) 3.667 2.991 ( 3.593 5.913 -1.959) 7.190 3.068 ( -1.150 -4.668 -2.725) 5.526 3.243 ( 7.932 -1.206 0.167) 8.025 3.407 ( -1.170 0.501 2.712) 2.996 3.506 ( -0.003 1.778 2.682) 3.218 3.688 ( -3.628 -8.284 -1.415) 9.154 3.895 ( 0.426 14.955 7.786) 16.865 4.153 ( -0.001 -5.718 1.451) 5.899 4.477 ( -2.707 -1.140 -5.249) 6.015 4.615 ( -3.550 13.178 13.139) 18.945 4.777 ( -1.083 8.263 -6.536) 10.591 4.905 ( -1.893 5.065 6.773) 8.667 5.211 ( 7.657 7.103 -10.920) 15.110 5.386 ( -3.139 6.731 -7.796) 10.768 5.467 ( -4.733 1.539 2.453) 5.549 5.723 ( -0.526 -0.256 5.303) 5.335 5.883 ( -0.348 -4.276 4.816) 6.450 5.928 ( 2.130 -1.983 0.524) 2.957 5.980 ( 2.455 -6.681 -0.052) 7.118 6.124 ( 4.848 -2.895 -3.802) 6.807 6.383 ( -8.604 -6.589 -4.387) 11.691 6.582 ( -3.519 0.395 -6.133) 7.082 6.782 ( -5.365 5.314 3.057) 8.146 6.888 ( -1.976 3.678 -0.918) 4.275 6.957 ( -3.199 -2.296 8.399) 9.276 7.065 ( 6.348 0.704 -3.789) 7.427 7.327 ( -6.396 2.841 9.684) 11.948 7.434 ( 0.483 -4.906 6.001) 7.767 7.555 ( -0.102 0.261 -6.223) 6.230 7.635 ( -0.206 7.135 -2.193) 7.467 7.722 ( 0.678 5.392 -1.459) 5.627 8.111 ( 6.777 -3.785 2.073) 8.034 8.203 ( -1.693 -0.146 -13.620) 13.725 8.332 ( 2.337 0.451 -3.724) 4.420 8.553 ( 0.345 -3.911 6.492) 7.587 8.813 ( -3.918 -3.449 -5.397) 7.508 8.958 ( 2.910 -5.002 2.140) 6.170 9.320 ( -3.332 -5.035 -8.971) 10.814 9.508 ( 8.121 0.057 1.026) 8.185 9.876 ( 2.180 -5.565 1.871) 6.263 10.726 ( 8.343 -1.165 8.226) 11.774 11.252 ( -3.864 -3.396 7.838) 9.376 11.451 ( 5.907 2.091 -2.926) 6.916 11.866 ( -7.202 -4.872 -10.391) 13.549 12.173 ( 3.355 -5.962 -0.957) 6.907 12.425 ( -6.356 -3.357 10.981) 13.125 13.010 ( -1.536 2.618 1.757) 3.507 13.504 ( 8.848 -2.172 -15.501) 17.980 13.601 ( 3.381 4.855 -0.977) 5.997 13.859 ( -4.323 0.076 -9.565) 10.497 14.095 ( -1.063 -1.896 -0.774) 2.307 14.523 ( -12.748 6.783 -3.569) 14.875 15.039 ( 0.653 -0.540 0.622) 1.051 15.233 ( -2.396 0.648 -1.308) 2.805 15.562 ( 4.155 -1.349 8.926) 9.938 15.851 ( 5.766 -2.768 -1.326) 6.532 16.221 ( -3.544 0.072 10.870) 11.433 16.456 ( -1.314 -3.476 13.752) 14.245 16.706 ( 6.799 0.689 -1.059) 6.915 16.798 ( -3.626 -1.241 -5.971) 7.095 24.336 ( 1.356 -0.415 0.097) 1.422 24.475 ( -2.787 -0.394 0.016) 2.815 24.521 ( 2.510 0.916 0.054) 2.672 24.639 ( -0.002 -0.190 -0.171) 0.256 25.829 ( -1.080 -0.297 0.608) 1.275 25.960 ( -2.287 -1.431 0.026) 2.698 26.188 ( -0.982 -0.763 -0.037) 1.244 26.241 ( -1.541 -1.343 0.681) 2.155 26.891 ( -0.405 0.709 10.170) 10.203 26.939 ( -3.250 0.762 14.202) 14.589 27.473 ( 3.385 4.225 -14.365) 15.351 27.547 ( 3.638 10.282 -21.526) 24.131 28.733 ( -1.746 3.091 2.816) 4.531 28.859 ( -3.303 -0.526 -0.601) 3.398 29.563 ( 3.326 -6.512 10.848) 13.082 29.770 ( 8.523 -10.998 -0.750) 13.934 ======================= Grid point 173 (78/140) ======================= q-point: (-0.22 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 244 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.345 ( -3.990 8.988 4.036) 10.630 1.558 ( -0.628 7.083 -0.015) 7.111 1.713 ( -10.036 7.544 13.633) 18.534 2.033 ( -4.304 7.565 13.169) 15.785 2.197 ( 12.041 7.050 -14.149) 19.872 2.239 ( -0.828 0.512 -3.749) 3.873 2.538 ( 0.038 -8.206 3.942) 9.104 2.825 ( -1.777 8.283 4.227) 9.467 2.933 ( 0.166 6.383 9.670) 11.588 3.114 ( 1.936 2.914 -0.645) 3.557 3.172 ( -1.705 1.253 9.404) 9.639 3.430 ( 6.764 1.383 -1.425) 7.049 3.565 ( -4.297 -2.435 1.693) 5.221 3.656 ( 8.805 6.544 4.279) 11.776 3.821 ( -5.226 -9.079 -0.916) 10.516 4.252 ( -0.966 -4.513 1.287) 4.791 4.356 ( -3.582 12.700 9.150) 16.058 4.444 ( 1.561 6.129 -1.461) 6.491 4.680 ( -0.767 0.809 -15.543) 15.583 4.841 ( -1.935 2.326 7.895) 8.455 5.067 ( 3.505 11.879 -15.517) 19.853 5.186 ( -0.013 11.344 -7.051) 13.357 5.414 ( -5.545 0.796 3.162) 6.433 5.689 ( -1.472 2.564 -1.589) 3.357 5.905 ( -5.040 -3.021 7.691) 9.679 6.020 ( 2.745 -5.526 0.745) 6.216 6.145 ( 2.521 -6.461 1.944) 7.203 6.253 ( 5.875 -7.478 -4.640) 10.582 6.422 ( -8.821 -5.471 -2.465) 10.669 6.557 ( -2.508 -1.905 -4.990) 5.900 6.649 ( -4.075 5.732 3.723) 7.957 6.743 ( -4.970 8.274 -2.336) 9.931 6.958 ( -3.290 0.504 9.508) 10.074 7.127 ( 3.979 0.814 -2.565) 4.804 7.229 ( -6.039 0.393 7.114) 9.339 7.440 ( -0.211 3.766 -1.834) 4.194 7.514 ( 0.432 6.304 -3.677) 7.311 7.575 ( -1.772 -0.007 -0.061) 1.773 7.683 ( 3.486 -0.304 2.058) 4.059 8.112 ( -0.882 4.694 -8.454) 9.710 8.249 ( 1.953 -0.861 -1.836) 2.816 8.316 ( 4.172 -1.281 -2.594) 5.077 8.620 ( 1.827 -2.089 0.015) 2.775 8.816 ( -4.771 -0.815 -4.522) 6.624 9.123 ( 3.770 -9.551 3.133) 10.736 9.386 ( -3.275 -6.490 -7.806) 10.667 9.622 ( 11.151 -3.601 3.800) 12.318 10.009 ( 2.175 -7.775 1.230) 8.166 10.830 ( 9.626 -1.149 8.052) 12.602 11.284 ( -1.127 -1.765 2.698) 3.415 11.454 ( 0.794 1.298 4.927) 5.157 11.935 ( -5.059 -10.044 -14.211) 18.123 12.295 ( 4.228 -4.257 -1.941) 6.306 12.437 ( -8.692 -3.971 8.736) 12.947 12.957 ( -1.035 3.798 10.164) 10.899 13.451 ( 9.996 12.091 -8.524) 17.854 13.615 ( -2.313 -2.353 -6.033) 6.876 13.873 ( -1.565 -7.199 -13.887) 15.721 14.119 ( 0.249 -1.164 -0.808) 1.439 14.310 ( -12.148 4.859 -3.648) 13.583 15.048 ( 0.001 0.187 2.101) 2.110 15.205 ( -2.188 0.207 -1.537) 2.682 15.617 ( 3.749 0.054 10.475) 11.126 15.937 ( 6.564 -1.197 1.908) 6.939 16.190 ( -5.720 0.405 7.596) 9.517 16.557 ( 1.147 -6.757 8.794) 11.149 16.696 ( -0.135 2.569 -1.831) 3.157 16.843 ( 2.705 -4.121 -2.677) 5.610 24.360 ( 1.826 -0.785 0.223) 2.000 24.461 ( -2.736 -0.613 -0.391) 2.831 24.523 ( 2.618 1.213 0.743) 2.979 24.636 ( -0.440 0.356 -0.462) 0.731 25.820 ( -2.140 0.043 2.289) 3.134 25.966 ( -4.165 -2.088 -1.724) 4.968 26.191 ( -0.172 -0.446 -0.669) 0.822 26.254 ( -2.638 -1.558 2.040) 3.680 26.883 ( -0.139 0.963 6.907) 6.975 26.917 ( -2.597 0.434 11.359) 11.660 27.338 ( 1.607 12.823 -17.008) 21.361 27.388 ( 5.533 8.191 -13.074) 16.390 28.670 ( -1.823 2.714 4.070) 5.221 28.842 ( -2.656 -0.526 -2.829) 3.916 29.788 ( 5.438 -13.564 13.432) 19.849 30.047 ( 9.648 -11.992 -1.713) 15.486 ======================= Grid point 174 (79/140) ======================= q-point: (-0.11 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 244 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.174 ( -3.775 6.485 16.653) 18.266 1.325 ( -5.345 13.036 20.965) 25.259 1.659 ( -6.378 -3.701 0.961) 7.436 1.861 ( -8.297 8.659 9.108) 15.059 2.158 ( 13.121 4.184 -18.223) 22.842 2.229 ( 3.311 2.963 -8.185) 9.314 2.579 ( -8.997 7.228 42.100) 43.653 2.769 ( 3.479 -8.510 -2.347) 9.488 2.842 ( 4.135 3.612 0.759) 5.543 3.096 ( 4.210 3.388 -0.315) 5.413 3.167 ( -3.008 0.559 6.852) 7.504 3.470 ( 3.768 -1.692 -0.568) 4.169 3.514 ( -0.042 0.710 0.064) 0.714 3.782 ( 6.623 -6.225 2.051) 9.318 3.922 ( -4.738 -6.186 1.208) 7.885 4.135 ( -4.115 9.304 8.784) 13.440 4.280 ( -1.926 0.251 -2.366) 3.061 4.333 ( 1.988 6.771 -3.694) 7.965 4.659 ( 1.311 0.369 -18.726) 18.775 4.772 ( -1.549 5.721 -0.861) 5.989 4.877 ( -2.192 5.420 -12.476) 13.778 5.035 ( 5.332 7.423 -5.706) 10.775 5.368 ( -3.251 0.358 6.357) 7.149 5.641 ( 1.178 1.872 -6.462) 6.830 5.961 ( -5.001 -6.767 9.311) 12.549 6.130 ( 1.243 -3.586 3.063) 4.877 6.233 ( -2.410 -3.395 -0.340) 4.177 6.367 ( -3.178 0.941 0.355) 3.333 6.448 ( 1.516 0.100 -4.285) 4.546 6.512 ( -3.070 -1.152 -0.308) 3.293 6.574 ( -3.959 -0.163 2.035) 4.454 6.665 ( -0.285 -6.210 -3.899) 7.338 6.885 ( -3.988 6.080 6.682) 9.875 7.037 ( 1.272 8.533 -1.980) 8.852 7.252 ( -3.221 -1.014 2.727) 4.340 7.367 ( -3.629 2.456 0.825) 4.459 7.405 ( 3.463 4.840 -0.034) 5.951 7.559 ( 0.982 0.220 0.614) 1.179 7.700 ( 3.164 3.150 1.597) 4.742 8.029 ( -0.979 0.873 -10.453) 10.535 8.217 ( -2.136 2.207 4.122) 5.141 8.421 ( 5.453 -3.452 -5.775) 8.660 8.658 ( 2.594 -0.550 -3.163) 4.127 8.767 ( -2.399 1.420 -3.804) 4.717 9.305 ( 1.493 -6.980 2.414) 7.535 9.464 ( -0.703 -4.948 -7.733) 9.207 9.766 ( 6.246 -2.451 9.178) 11.369 10.198 ( 1.755 -11.512 -3.231) 12.085 10.936 ( 9.413 -1.281 6.941) 11.766 11.298 ( 0.442 -0.149 -3.794) 3.823 11.414 ( -7.233 1.792 13.570) 15.482 12.065 ( 1.337 -7.293 -18.166) 19.621 12.378 ( 3.954 -2.243 -0.408) 4.564 12.466 ( -7.407 -5.806 3.649) 10.094 12.865 ( -3.500 6.388 16.879) 18.383 13.292 ( 7.241 11.744 -4.932) 14.652 13.620 ( -2.561 -1.932 -1.940) 3.749 13.998 ( 0.430 -7.225 -14.651) 16.341 14.121 ( -0.593 0.940 -4.626) 4.757 14.194 ( -5.290 -0.674 -2.001) 5.696 15.039 ( -0.308 0.797 3.928) 4.020 15.186 ( -1.015 0.312 -1.817) 2.104 15.649 ( 3.499 0.756 12.466) 12.970 16.001 ( 6.468 0.293 7.039) 9.564 16.139 ( -7.011 0.113 2.228) 7.357 16.639 ( -4.492 1.312 -3.378) 5.771 16.711 ( 4.312 -6.675 0.534) 7.964 16.944 ( 2.114 -4.739 -2.261) 5.661 24.390 ( 1.784 -0.781 0.303) 1.971 24.451 ( -2.434 -0.594 -0.844) 2.644 24.527 ( 2.904 0.838 1.630) 3.434 24.617 ( -1.232 0.931 -0.671) 1.684 25.800 ( -2.609 0.301 4.139) 4.902 25.953 ( -4.430 -0.923 -3.396) 5.658 26.209 ( 1.811 -0.922 0.193) 2.041 26.249 ( -3.568 -0.356 1.767) 3.998 26.882 ( 0.704 0.065 4.521) 4.576 26.913 ( -1.216 -0.461 6.935) 7.056 27.106 ( 2.848 12.113 -10.013) 15.972 27.269 ( 2.853 7.447 -9.297) 12.248 28.625 ( -1.360 1.534 5.039) 5.440 28.830 ( -1.340 -0.355 -4.197) 4.420 30.109 ( 4.757 -14.550 8.016) 17.280 30.308 ( 6.384 -9.787 -1.326) 11.760 ======================= Grid point 176 (80/140) ======================= q-point: ( 0.11 0.11 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.099 ( -3.293 -0.000 25.864) 26.073 1.322 ( 7.216 0.000 21.146) 22.343 1.560 ( 1.499 0.000 1.165) 1.899 1.614 ( -4.607 -0.000 0.286) 4.616 2.206 ( 2.785 0.000 -12.136) 12.452 2.451 ( 12.443 0.000 -12.843) 17.882 2.547 ( -2.316 -0.000 32.140) 32.223 2.828 ( -4.621 -0.000 -4.362) 6.354 2.883 ( -1.305 -0.000 12.284) 12.354 3.070 ( -5.624 -0.000 4.803) 7.396 3.197 ( 7.664 0.000 -1.424) 7.795 3.417 ( -8.437 -0.000 -0.390) 8.446 3.548 ( 0.244 0.000 -0.923) 0.955 3.780 ( -6.896 -0.000 7.225) 9.987 4.005 ( 1.217 0.000 9.639) 9.716 4.109 ( 7.033 0.000 0.420) 7.045 4.206 ( -7.201 -0.000 5.629) 9.140 4.212 ( -1.286 -0.000 -13.431) 13.492 4.625 ( 2.940 0.000 -25.022) 25.194 4.636 ( 1.365 0.000 -14.380) 14.444 4.870 ( 3.877 0.000 2.220) 4.468 5.072 ( 2.964 0.000 -1.124) 3.170 5.566 ( 15.587 0.000 -4.527) 16.231 5.677 ( 4.638 0.000 -8.744) 9.898 5.921 ( -6.498 -0.000 10.656) 12.481 6.106 ( -4.401 -0.000 4.691) 6.433 6.246 ( 2.273 0.000 7.728) 8.055 6.320 ( 2.152 0.000 -1.894) 2.867 6.390 ( -0.453 -0.000 4.111) 4.136 6.536 ( -2.068 -0.000 0.284) 2.088 6.625 ( 5.526 0.000 -4.631) 7.210 6.757 ( 0.360 0.000 -0.262) 0.445 6.904 ( 4.691 0.000 -3.299) 5.735 7.042 ( 13.357 0.000 -4.729) 14.169 7.165 ( -1.054 -0.000 -1.271) 1.651 7.277 ( -2.247 -0.000 10.471) 10.709 7.493 ( 3.719 0.000 5.755) 6.852 7.657 ( -2.062 -0.000 -0.433) 2.107 7.664 ( 3.426 0.000 0.200) 3.431 8.009 ( 2.191 0.000 -15.623) 15.776 8.132 ( -3.642 -0.000 7.993) 8.783 8.430 ( -3.537 -0.000 -5.848) 6.834 8.687 ( -4.575 -0.000 -6.451) 7.909 8.779 ( 7.457 0.000 -0.917) 7.513 9.337 ( -2.466 -0.000 -0.174) 2.472 9.493 ( -0.560 -0.000 -5.963) 5.989 9.822 ( -6.066 -0.000 12.080) 13.517 10.063 ( -18.351 -0.000 -4.215) 18.829 11.000 ( -8.511 -0.000 8.981) 12.373 11.196 ( -6.408 -0.000 -9.207) 11.217 11.354 ( 2.954 0.000 16.559) 16.820 12.244 ( 10.815 0.000 -19.633) 22.415 12.412 ( -0.358 -0.000 -2.538) 2.563 12.530 ( 3.509 0.000 2.560) 4.344 12.712 ( -7.054 -0.000 18.594) 19.887 13.319 ( 4.761 0.000 0.711) 4.814 13.730 ( 8.253 0.000 0.953) 8.308 13.950 ( -4.239 -0.000 -19.795) 20.244 14.190 ( 7.766 0.000 0.973) 7.827 14.236 ( 7.894 0.000 -9.063) 12.019 15.058 ( 1.534 0.000 4.544) 4.796 15.192 ( 2.057 0.000 -2.673) 3.373 15.734 ( -0.922 -0.000 12.506) 12.540 15.954 ( -7.993 -0.000 -2.779) 8.462 16.159 ( 4.008 0.000 12.546) 13.170 16.462 ( -6.402 -0.000 -3.867) 7.479 16.775 ( -15.586 -0.000 1.282) 15.639 16.903 ( 4.483 0.000 -3.111) 5.456 24.396 ( -2.367 -0.000 -0.686) 2.465 24.438 ( 1.305 0.000 1.023) 1.658 24.557 ( -2.378 -0.000 -1.370) 2.745 24.589 ( 1.932 0.000 1.296) 2.326 25.803 ( 2.755 0.000 5.073) 5.773 26.036 ( 7.340 0.000 -5.404) 9.115 26.155 ( -4.046 -0.000 0.931) 4.152 26.308 ( 6.670 0.000 1.513) 6.839 26.901 ( -0.504 -0.000 5.609) 5.631 26.966 ( 2.325 0.000 0.522) 2.383 27.054 ( 3.649 0.000 -8.601) 9.343 27.182 ( 0.576 0.000 -7.917) 7.938 28.629 ( 1.362 0.000 6.000) 6.153 28.834 ( 2.765 0.000 -4.721) 5.471 30.101 ( -27.701 -0.000 8.308) 28.920 30.249 ( -7.211 -0.000 3.182) 7.882 ======================= Grid point 177 (81/140) ======================= q-point: ( 0.22 0.11 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 244 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.243 ( 1.875 -13.105 17.234) 21.732 1.395 ( 7.574 -0.684 8.139) 11.139 1.546 ( -0.328 1.363 -2.703) 3.045 1.768 ( 4.039 -13.513 10.577) 17.629 2.202 ( 0.704 2.061 -6.843) 7.181 2.511 ( 4.327 0.135 -7.812) 8.932 2.610 ( -5.459 -5.800 8.822) 11.885 2.776 ( -0.179 -0.399 -10.673) 10.682 2.916 ( 3.299 -2.735 22.566) 22.969 3.057 ( -6.932 -2.480 6.212) 9.633 3.265 ( 5.244 0.219 -2.251) 5.711 3.342 ( -7.278 -1.732 1.957) 7.733 3.495 ( -3.702 4.389 -3.608) 6.781 3.700 ( -1.460 3.910 6.438) 7.673 4.046 ( -0.786 1.071 8.146) 8.254 4.141 ( -2.676 -2.052 -2.419) 4.150 4.205 ( 3.721 -5.420 -0.384) 6.585 4.265 ( -3.959 -6.175 1.175) 7.429 4.623 ( 2.628 -3.047 -15.520) 16.033 4.762 ( 0.920 -10.613 -18.844) 21.647 4.854 ( 5.359 4.033 4.057) 7.838 5.142 ( 2.708 -4.313 -0.479) 5.115 5.605 ( 9.052 3.867 -5.616) 11.332 5.743 ( 2.948 -1.683 -3.118) 4.609 5.876 ( -0.320 2.032 6.709) 7.018 6.044 ( -6.696 2.930 5.918) 9.404 6.261 ( 1.534 0.685 4.246) 4.567 6.300 ( 3.988 3.298 0.126) 5.177 6.369 ( -0.860 9.042 1.026) 9.140 6.561 ( 5.328 -7.687 -1.360) 9.452 6.684 ( 7.571 -0.711 -1.226) 7.703 6.809 ( 2.377 -1.322 -1.173) 2.962 6.832 ( 3.304 3.606 -0.958) 4.983 7.088 ( 3.019 3.199 1.325) 4.594 7.258 ( -2.112 -2.098 7.833) 8.380 7.351 ( 8.012 -8.989 -3.537) 12.550 7.567 ( -0.658 -2.711 0.412) 2.820 7.599 ( 2.392 0.426 -0.526) 2.486 7.746 ( 0.080 -3.840 1.070) 3.987 8.005 ( 1.798 -0.887 -8.176) 8.418 8.143 ( -3.940 -2.875 0.015) 4.877 8.384 ( -4.157 1.128 -5.329) 6.852 8.601 ( -5.031 4.415 -4.227) 7.917 8.834 ( 7.024 0.411 0.948) 7.100 9.265 ( -2.288 6.584 -1.355) 7.101 9.434 ( -1.736 3.191 -4.465) 5.756 9.745 ( -13.427 3.792 6.556) 15.416 9.899 ( -8.237 1.031 -0.912) 8.351 10.942 ( -10.708 0.162 8.347) 13.578 11.142 ( -6.427 -1.147 -7.717) 10.108 11.384 ( 3.000 1.349 14.325) 14.698 12.205 ( 5.851 8.287 -11.490) 15.328 12.383 ( 6.295 6.283 -4.523) 9.978 12.554 ( 2.366 0.533 2.782) 3.691 12.757 ( -6.100 -8.445 13.070) 16.714 13.409 ( 1.932 -5.949 -0.635) 6.287 13.751 ( 3.091 5.080 -4.527) 7.473 13.832 ( 0.493 5.613 -14.500) 15.557 14.205 ( 7.789 3.833 -0.867) 8.724 14.372 ( 12.410 -5.585 -9.099) 16.370 15.090 ( 2.374 -1.189 3.935) 4.747 15.200 ( 2.470 0.898 -3.180) 4.125 15.716 ( -4.425 1.343 10.542) 11.512 15.888 ( -7.892 -0.008 -3.739) 8.733 16.203 ( 2.605 -0.125 14.315) 14.550 16.432 ( -5.271 -2.313 -2.347) 6.216 16.592 ( -11.766 5.917 8.140) 15.482 16.947 ( 2.360 -1.182 -4.927) 5.589 24.368 ( -1.809 0.811 -0.298) 2.005 24.457 ( 1.282 -0.752 0.807) 1.691 24.533 ( -2.629 0.204 -1.361) 2.967 24.607 ( 1.079 -0.369 1.071) 1.565 25.842 ( 4.427 -0.234 5.058) 6.726 26.003 ( 2.382 5.083 -2.263) 6.052 26.157 ( -2.299 -1.119 -0.504) 2.606 26.385 ( 9.290 -0.737 0.840) 9.357 26.893 ( -1.652 1.913 5.970) 6.483 26.925 ( 0.776 4.400 0.770) 4.534 27.106 ( 0.262 -7.916 -7.732) 11.069 27.345 ( 4.134 -12.470 -14.298) 19.417 28.666 ( 2.416 -1.679 5.964) 6.650 28.852 ( 4.008 0.530 -4.322) 5.918 29.793 ( -24.315 9.175 15.392) 30.205 30.132 ( -11.072 5.542 0.497) 12.391 ======================= Grid point 178 (82/140) ======================= q-point: ( 0.33 0.11 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 244 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.452 ( 3.425 -3.050 0.382) 4.602 1.535 ( 3.694 -6.659 0.800) 7.657 1.588 ( 2.303 -9.119 7.697) 12.153 2.062 ( 8.224 -12.847 10.858) 18.724 2.126 ( -2.008 4.105 -0.987) 4.675 2.500 ( -5.294 -1.006 1.740) 5.662 2.668 ( -0.832 -4.530 -4.619) 6.523 2.827 ( 1.084 -4.475 -15.947) 16.598 3.007 ( -4.398 0.296 1.879) 4.792 3.073 ( -1.144 -3.779 19.551) 19.946 3.239 ( 4.103 2.981 -6.535) 8.272 3.359 ( -2.753 5.633 -4.758) 7.871 3.431 ( -3.583 -9.013 7.797) 12.445 3.683 ( 2.843 -0.779 2.984) 4.194 3.968 ( -5.066 3.171 9.470) 11.198 4.155 ( -2.034 1.976 -3.053) 4.167 4.338 ( 2.302 -7.051 -4.313) 8.580 4.381 ( -0.100 -9.503 11.406) 14.847 4.726 ( 2.503 -7.411 -8.352) 11.444 4.876 ( 5.179 -2.110 5.878) 8.114 4.948 ( -1.518 -12.494 -15.606) 20.048 5.241 ( 2.311 -3.816 -1.084) 4.591 5.603 ( 4.721 1.382 -5.956) 7.725 5.744 ( -4.137 0.134 4.826) 6.358 5.853 ( 2.670 3.745 2.893) 5.434 5.940 ( -1.822 4.773 5.096) 7.216 6.143 ( -0.536 11.137 3.750) 11.763 6.285 ( 5.302 4.671 -1.766) 7.283 6.308 ( 0.774 -2.945 -0.758) 3.138 6.627 ( 4.481 7.309 -1.676) 8.735 6.762 ( 4.392 -3.089 -1.264) 5.517 6.858 ( 6.241 -2.967 -2.001) 7.194 6.886 ( 1.054 -4.991 2.234) 5.569 7.093 ( 2.902 -1.149 3.511) 4.698 7.266 ( -0.212 0.378 7.320) 7.332 7.476 ( -2.691 -0.864 5.363) 6.062 7.590 ( 3.079 -0.887 -1.939) 3.745 7.663 ( 3.009 -4.655 -9.193) 10.735 7.827 ( 2.138 -4.839 1.240) 5.433 8.056 ( 0.745 -3.582 -5.304) 6.444 8.134 ( -6.669 -0.850 -6.177) 9.130 8.300 ( -4.768 4.060 -3.652) 7.250 8.484 ( -1.110 4.362 0.645) 4.547 8.879 ( 6.273 0.721 2.181) 6.681 9.081 ( -2.976 10.241 -1.933) 10.839 9.373 ( 0.170 4.058 -4.608) 6.143 9.579 ( -11.587 0.833 -0.241) 11.619 9.855 ( -3.991 0.763 -0.065) 4.063 10.831 ( -9.789 3.515 6.557) 12.296 11.117 ( -6.172 -2.176 -2.203) 6.905 11.403 ( 2.305 0.112 9.316) 9.597 12.091 ( 4.670 7.500 -7.781) 11.773 12.276 ( 6.511 10.417 -2.806) 12.601 12.536 ( -1.410 3.027 7.842) 8.523 12.902 ( -1.550 -9.589 4.029) 10.516 13.516 ( -3.509 -3.448 -9.776) 10.944 13.588 ( 0.329 6.227 -5.283) 8.173 13.816 ( 6.347 0.956 -7.117) 9.584 14.190 ( 7.952 4.908 -0.832) 9.382 14.567 ( 11.872 -5.900 -8.028) 15.499 15.130 ( 1.539 -0.377 1.192) 1.983 15.198 ( 4.033 1.273 -1.823) 4.606 15.646 ( -7.043 2.319 8.613) 11.365 15.814 ( -7.682 1.014 -4.161) 8.795 16.230 ( 0.392 0.496 15.291) 15.304 16.432 ( -7.073 -0.132 6.973) 9.933 16.468 ( -3.207 -0.847 3.990) 5.189 16.962 ( 1.922 0.669 -6.119) 6.449 24.344 ( -0.972 0.628 -0.150) 1.167 24.481 ( 0.550 -0.869 0.362) 1.090 24.509 ( -1.728 0.209 -0.796) 1.914 24.618 ( 0.115 -0.272 0.844) 0.894 25.875 ( 3.829 1.524 2.312) 4.725 25.948 ( 1.372 2.046 0.978) 2.650 26.147 ( -1.743 -0.048 0.204) 1.755 26.440 ( 8.388 3.544 -1.258) 9.192 26.820 ( -3.455 1.266 6.200) 7.210 26.920 ( -0.973 -0.808 9.281) 9.367 27.252 ( 0.144 -8.934 -10.986) 14.161 27.564 ( 3.914 -10.268 -19.485) 22.370 28.734 ( 3.085 -2.640 4.934) 6.390 28.870 ( 4.833 0.956 -3.029) 5.783 29.504 ( -16.866 6.400 15.862) 24.021 29.912 ( -10.918 8.612 -1.220) 13.959 ======================= Grid point 179 (83/140) ======================= q-point: ( 0.44 0.11 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 244 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.532 ( 1.331 -4.468 -2.457) 5.270 1.632 ( 6.154 -2.131 2.357) 6.926 1.748 ( -2.065 -4.856 5.557) 7.663 2.060 ( -4.184 0.563 0.528) 4.254 2.377 ( 12.683 -12.140 3.512) 17.905 2.516 ( -5.596 -5.096 11.341) 13.634 2.722 ( -1.718 -2.234 -3.419) 4.431 2.868 ( -2.473 -0.669 -10.832) 11.130 2.926 ( -4.535 1.432 -0.095) 4.757 3.092 ( -2.425 0.550 6.959) 7.390 3.194 ( 1.677 3.577 -7.665) 8.624 3.310 ( 7.664 3.378 -0.987) 8.433 3.507 ( -5.872 -1.709 4.301) 7.477 3.763 ( 3.128 -5.067 -1.309) 6.097 3.938 ( -3.553 -1.800 7.758) 8.721 4.047 ( -3.425 5.393 0.153) 6.391 4.447 ( 3.316 -3.382 -3.732) 6.030 4.645 ( 2.981 -16.644 11.276) 20.324 4.862 ( -0.498 -6.162 0.909) 6.248 4.994 ( 6.415 -5.238 3.566) 9.016 5.137 ( -3.219 -11.255 -9.128) 14.844 5.279 ( -2.216 -1.730 -3.268) 4.311 5.623 ( 3.396 0.439 -1.669) 3.809 5.717 ( -2.944 -0.624 1.580) 3.399 5.783 ( -1.801 3.993 4.654) 6.392 5.849 ( 2.280 7.432 3.842) 8.671 6.002 ( 1.605 5.359 3.883) 6.809 6.223 ( 1.823 5.354 -1.879) 5.959 6.374 ( 3.205 -1.395 -3.754) 5.129 6.520 ( 2.074 5.227 -0.221) 5.628 6.792 ( -3.310 -1.144 0.086) 3.503 6.920 ( 5.545 0.170 -1.186) 5.673 7.011 ( 2.307 -3.987 -2.228) 5.117 7.149 ( 0.216 -2.123 4.215) 4.724 7.277 ( 4.618 0.659 5.106) 6.916 7.411 ( -7.240 2.542 7.998) 11.084 7.626 ( 2.197 -0.691 -4.768) 5.295 7.760 ( 1.791 -4.413 -3.284) 5.785 7.922 ( 1.230 -2.561 -2.530) 3.804 8.041 ( 0.803 4.320 -7.851) 8.997 8.120 ( -5.666 -3.954 -3.526) 7.757 8.199 ( -0.492 2.488 -0.996) 2.725 8.450 ( 2.314 0.873 2.706) 3.666 8.900 ( -4.550 6.141 -3.222) 8.294 8.913 ( 6.008 1.644 3.407) 7.100 9.272 ( -1.524 4.410 -6.727) 8.187 9.540 ( -4.362 -1.870 -3.024) 5.627 9.791 ( -3.797 2.498 0.455) 4.568 10.715 ( -4.954 2.860 6.094) 8.358 11.109 ( -6.928 -2.742 2.106) 7.743 11.441 ( 2.034 -1.427 4.480) 5.123 12.008 ( 4.776 5.423 -7.880) 10.692 12.147 ( 5.392 8.918 -1.255) 10.497 12.454 ( -4.331 4.291 10.725) 12.337 13.048 ( 0.722 -6.620 -1.467) 6.819 13.371 ( -4.020 5.520 -14.283) 15.832 13.656 ( 2.407 -4.384 0.107) 5.003 13.853 ( 3.803 -1.106 -8.129) 9.043 14.163 ( 8.245 5.325 -0.965) 9.862 14.717 ( 5.557 -3.287 -4.739) 8.009 15.106 ( -1.491 2.493 -2.691) 3.960 15.235 ( 6.587 -0.041 0.788) 6.634 15.559 ( -6.508 2.011 7.099) 9.839 15.735 ( -5.933 0.429 -4.143) 7.249 16.231 ( -1.171 0.695 14.937) 14.999 16.394 ( -3.653 -0.082 13.320) 13.812 16.512 ( -1.587 -4.463 -0.731) 4.793 16.940 ( 1.634 2.534 -6.635) 7.288 24.331 ( 0.050 0.356 -0.160) 0.394 24.478 ( -3.367 -0.529 -0.455) 3.439 24.516 ( 2.400 -0.188 0.284) 2.424 24.621 ( -0.524 -0.284 0.542) 0.806 25.859 ( 1.826 2.157 0.041) 2.827 25.948 ( 1.035 0.318 1.757) 2.064 26.141 ( -0.855 -0.421 1.272) 1.589 26.391 ( 4.523 6.725 -2.765) 8.564 26.825 ( -3.165 -2.770 11.791) 12.519 26.939 ( -1.045 -0.799 12.093) 12.165 27.381 ( 0.836 -6.974 -14.178) 15.823 27.704 ( 2.967 -5.201 -21.477) 22.296 28.800 ( 1.881 -1.484 3.258) 4.044 28.887 ( 4.531 1.331 -0.740) 4.780 29.357 ( -8.853 0.052 11.503) 14.515 29.691 ( -8.327 7.082 -0.380) 10.938 ======================= Grid point 180 (84/140) ======================= q-point: ( 0.56 0.11 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 244 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.579 ( -1.179 0.508 1.720) 2.146 1.709 ( 3.265 -1.017 0.891) 3.534 1.808 ( 4.076 -4.007 0.822) 5.774 2.049 ( -5.424 -3.744 2.499) 7.049 2.476 ( -7.478 4.620 3.172) 9.345 2.627 ( -0.632 -1.631 -0.466) 1.810 2.698 ( -0.447 2.171 8.056) 8.355 2.873 ( 9.099 -4.621 0.642) 10.225 2.935 ( -1.138 -2.128 -6.967) 7.373 3.032 ( -4.219 2.000 1.294) 4.845 3.177 ( 4.028 1.378 -4.249) 6.015 3.313 ( 3.869 1.243 0.693) 4.122 3.478 ( -5.470 -2.217 6.125) 8.506 3.825 ( 2.302 9.242 -4.231) 10.422 3.900 ( -1.161 -6.454 -1.803) 6.801 4.046 ( -2.698 -4.783 5.144) 7.524 4.488 ( 2.390 1.199 -2.835) 3.897 4.882 ( -3.359 -1.251 9.840) 10.472 4.945 ( 2.914 -6.189 5.081) 8.521 5.118 ( -1.436 1.730 -0.557) 2.316 5.203 ( 4.629 -4.844 -0.865) 6.756 5.337 ( -6.398 -7.724 -5.307) 11.347 5.597 ( 2.119 5.339 2.960) 6.462 5.727 ( -0.067 0.557 3.179) 3.228 5.744 ( 3.848 -1.706 -1.994) 4.658 5.784 ( -0.606 -0.208 4.624) 4.668 5.959 ( 2.181 2.727 3.639) 5.043 6.139 ( -1.378 3.580 -1.911) 4.286 6.347 ( 4.275 5.365 -2.864) 7.434 6.533 ( -0.612 -3.702 -6.097) 7.159 6.777 ( -7.693 -2.623 2.194) 8.419 6.935 ( 1.691 1.743 1.157) 2.690 7.011 ( -1.086 2.491 -4.509) 5.264 7.179 ( 2.765 0.972 -0.056) 2.932 7.277 ( -2.642 1.270 7.156) 7.733 7.384 ( 0.612 -1.861 8.631) 8.851 7.616 ( 0.964 2.329 -7.176) 7.606 7.828 ( 2.308 -1.180 -0.226) 2.602 7.881 ( -1.187 4.719 -6.239) 7.912 8.016 ( 0.201 -0.811 0.709) 1.096 8.125 ( -2.562 -2.250 -5.006) 6.057 8.235 ( 6.029 -2.437 -2.268) 6.887 8.475 ( 1.751 -0.889 4.415) 4.832 8.781 ( -5.614 2.450 -3.412) 7.012 8.926 ( 3.179 1.519 2.225) 4.167 9.219 ( -0.563 -0.158 -8.312) 8.333 9.530 ( 0.422 0.481 -3.473) 3.532 9.744 ( -3.286 -1.044 2.099) 4.037 10.688 ( 1.667 -0.473 6.326) 6.559 11.107 ( -8.060 -3.493 4.600) 9.915 11.487 ( 2.490 -1.303 0.937) 2.962 11.939 ( 3.543 6.224 -10.236) 12.493 12.075 ( 4.338 2.807 1.510) 5.383 12.368 ( -6.318 1.516 10.400) 12.262 13.095 ( -0.688 1.280 -4.526) 4.754 13.321 ( 0.939 -3.590 -10.994) 11.603 13.728 ( 2.448 -1.466 -1.529) 3.238 13.877 ( 0.710 -0.215 -8.075) 8.109 14.138 ( 8.490 5.003 -1.022) 9.908 14.720 ( -6.165 2.850 -2.406) 7.205 15.051 ( 0.201 1.897 -1.404) 2.369 15.274 ( 3.685 1.223 -1.071) 4.028 15.510 ( -2.613 -0.532 6.175) 6.726 15.725 ( -0.970 -3.247 -3.261) 4.703 16.229 ( -1.530 0.295 14.139) 14.225 16.394 ( -2.502 -0.693 14.522) 14.752 16.586 ( -0.297 -5.034 -1.948) 5.406 16.888 ( 1.128 3.715 -6.288) 7.390 24.332 ( 1.146 0.086 -0.122) 1.156 24.459 ( -3.324 -0.515 -0.111) 3.365 24.537 ( 2.322 0.032 0.140) 2.327 24.623 ( -0.750 -0.511 0.170) 0.923 25.842 ( 1.355 1.227 -0.025) 1.828 25.943 ( -1.015 0.318 0.539) 1.193 26.150 ( -0.219 -0.909 1.842) 2.066 26.305 ( 1.723 5.108 -2.087) 5.780 26.866 ( -2.455 -2.371 13.594) 14.016 26.953 ( -1.495 -0.056 13.932) 14.012 27.472 ( 1.908 -4.109 -16.085) 16.710 27.742 ( 2.857 0.392 -22.258) 22.445 28.814 ( -0.053 0.833 2.078) 2.240 28.881 ( 1.342 2.172 1.364) 2.895 29.386 ( -1.120 -5.832 5.922) 8.387 29.560 ( -4.016 1.551 2.530) 4.994 ======================= Grid point 181 (85/140) ======================= q-point: (-0.33 0.11 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 244 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.530 ( -0.224 3.365 1.842) 3.843 1.698 ( -1.208 3.029 -1.577) 3.622 1.953 ( 7.279 -4.732 -0.294) 8.687 2.096 ( -3.482 -4.597 1.946) 6.086 2.270 ( -10.084 8.516 6.992) 14.936 2.514 ( 0.083 9.675 -4.192) 10.545 2.623 ( -3.498 7.717 12.886) 15.422 2.916 ( 2.548 1.115 -0.855) 2.910 2.983 ( 0.951 -3.352 -5.181) 6.243 3.129 ( 4.224 4.650 -1.989) 6.589 3.185 ( 6.140 -10.451 -1.965) 12.280 3.338 ( -1.447 -1.891 3.002) 3.832 3.523 ( -5.333 -6.171 4.741) 9.434 3.668 ( 3.342 9.086 -3.846) 10.417 4.001 ( 0.853 -3.423 3.098) 4.695 4.103 ( -2.370 -2.671 2.961) 4.639 4.441 ( 0.072 3.821 -2.910) 4.804 4.807 ( -2.620 8.131 13.805) 16.234 4.919 ( -3.370 9.204 -3.295) 10.341 5.000 ( -0.221 4.895 4.067) 6.367 5.306 ( 1.057 -1.313 -3.597) 3.973 5.403 ( 2.383 -0.268 -8.982) 9.297 5.521 ( -0.329 4.132 4.696) 6.264 5.713 ( -1.761 0.207 4.748) 5.068 5.825 ( 1.379 -3.450 -0.205) 3.721 5.882 ( 4.745 -6.597 1.777) 8.318 5.938 ( 1.269 0.585 2.433) 2.806 6.100 ( -2.925 -2.012 -2.303) 4.232 6.298 ( 2.489 2.720 -4.009) 5.446 6.540 ( -5.161 -0.490 -6.349) 8.196 6.770 ( -6.267 -2.105 1.939) 6.890 6.907 ( -2.128 1.167 5.425) 5.943 6.949 ( -0.385 3.102 -4.704) 5.648 7.150 ( 1.725 2.694 -2.201) 3.883 7.282 ( -1.905 -2.210 10.560) 10.956 7.427 ( 1.939 -0.253 6.102) 6.407 7.576 ( 3.568 2.750 -6.048) 7.541 7.761 ( -0.930 7.255 -3.549) 8.130 7.820 ( 2.067 3.830 -2.413) 4.976 8.070 ( -0.885 -5.671 -2.326) 6.193 8.147 ( 0.034 -1.848 -5.148) 5.470 8.338 ( 6.796 -2.922 -2.048) 7.676 8.502 ( -1.809 -1.397 6.627) 7.011 8.725 ( -5.025 -1.591 -5.166) 7.380 8.930 ( 1.204 -0.584 2.593) 2.918 9.223 ( -1.652 -1.956 -9.133) 9.485 9.556 ( 5.918 -1.243 -0.524) 6.070 9.784 ( -1.671 -5.152 1.304) 5.571 10.762 ( 6.334 -2.921 7.457) 10.211 11.116 ( -8.867 -4.634 6.819) 12.108 11.533 ( 5.139 -1.186 -3.488) 6.323 11.819 ( -1.683 6.422 -9.242) 11.379 12.126 ( 5.632 -3.233 1.385) 6.640 12.328 ( -8.411 -2.018 8.645) 12.229 13.045 ( -0.263 2.502 -0.691) 2.609 13.426 ( 3.203 -6.665 -12.234) 14.295 13.741 ( 3.590 2.201 -3.465) 5.453 13.841 ( -2.409 2.712 -7.586) 8.409 14.129 ( 8.284 3.436 -0.811) 9.005 14.543 ( -12.291 7.104 -2.709) 14.453 15.043 ( 1.459 0.176 0.401) 1.524 15.242 ( -1.118 2.404 -2.823) 3.873 15.554 ( 1.313 -3.185 8.032) 8.740 15.809 ( 2.511 -5.301 -3.129) 6.648 16.221 ( -2.478 0.824 13.570) 13.819 16.413 ( -1.966 -1.755 14.630) 14.865 16.676 ( 0.465 -5.360 -3.257) 6.290 16.820 ( 1.021 4.075 -4.874) 6.435 24.346 ( 2.046 -0.127 0.029) 2.050 24.442 ( -3.260 -0.510 0.034) 3.300 24.551 ( 2.135 0.373 0.183) 2.175 24.628 ( -0.827 -0.651 -0.273) 1.088 25.835 ( 1.227 0.830 0.196) 1.494 25.926 ( -2.667 -0.098 0.072) 2.670 26.169 ( -0.294 -1.040 1.721) 2.032 26.247 ( 0.565 2.291 -1.211) 2.653 26.895 ( -1.713 -1.093 13.137) 13.294 26.946 ( -2.532 0.968 14.192) 14.449 27.510 ( 2.079 -0.146 -15.779) 15.916 27.693 ( 4.284 5.138 -22.847) 23.807 28.783 ( -0.173 2.771 1.451) 3.133 28.844 ( -1.742 1.553 1.319) 2.680 29.486 ( -0.529 -4.805 7.764) 9.146 29.628 ( 2.704 -9.672 1.202) 10.115 ======================= Grid point 182 (86/140) ======================= q-point: (-0.22 0.11 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 244 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.464 ( -0.047 5.647 0.532) 5.672 1.606 ( -2.458 3.695 -3.193) 5.467 1.903 ( -2.630 14.520 11.610) 18.776 2.122 ( -3.714 2.901 4.851) 6.763 2.175 ( -3.372 -4.697 -0.252) 5.787 2.393 ( 7.968 4.129 -3.911) 9.790 2.480 ( -0.348 5.376 5.116) 7.429 2.928 ( 0.878 1.553 2.332) 2.936 3.024 ( 1.568 5.630 -4.059) 7.116 3.059 ( 0.596 -4.489 -0.552) 4.562 3.301 ( -1.805 5.935 6.448) 8.948 3.416 ( 0.505 -9.735 -1.008) 9.800 3.554 ( 4.117 5.215 0.989) 6.718 3.626 ( -2.291 -6.977 -1.198) 7.441 3.934 ( 1.991 12.676 9.257) 15.822 4.149 ( -1.153 -4.891 2.526) 5.624 4.423 ( -2.131 -3.244 -2.460) 4.595 4.591 ( -3.473 13.931 15.648) 21.237 4.741 ( -0.763 7.834 -12.576) 14.836 4.927 ( 2.224 5.298 5.973) 8.288 5.268 ( 0.430 5.943 -6.971) 9.171 5.313 ( -0.587 7.864 -13.636) 15.752 5.455 ( 2.033 5.124 4.396) 7.051 5.694 ( -3.405 0.301 1.851) 3.887 5.852 ( -3.401 -0.333 5.031) 6.082 5.960 ( 2.378 -3.896 0.017) 4.565 6.060 ( 3.614 -5.722 1.248) 6.882 6.165 ( -3.352 -8.398 -2.905) 9.497 6.291 ( 3.265 -0.082 -3.674) 4.916 6.501 ( -4.525 -1.508 -5.093) 6.978 6.731 ( -1.556 4.133 2.633) 5.141 6.826 ( -4.301 4.518 0.116) 6.239 6.920 ( -3.110 -0.840 5.153) 6.077 7.155 ( 4.020 -0.565 -3.902) 5.630 7.264 ( -2.491 4.486 9.974) 11.216 7.464 ( 0.950 -1.882 6.141) 6.493 7.558 ( 1.185 1.783 -3.877) 4.429 7.631 ( 1.585 6.314 -4.472) 7.898 7.752 ( 3.128 4.680 -2.907) 6.336 8.136 ( -2.010 -1.700 -15.249) 15.475 8.203 ( 3.368 -4.366 4.390) 7.048 8.374 ( 2.932 3.436 -0.980) 4.622 8.549 ( -2.928 -5.992 6.287) 9.165 8.729 ( -3.996 -2.841 -5.490) 7.361 9.005 ( 1.577 -6.612 3.042) 7.447 9.251 ( -1.775 -4.481 -8.722) 9.965 9.654 ( 8.711 -2.885 1.850) 9.361 9.877 ( -2.456 -6.657 -0.001) 7.095 10.885 ( 8.569 -2.669 8.790) 12.562 11.141 ( -10.445 -6.019 8.908) 14.989 11.593 ( 11.107 5.075 -7.100) 14.126 11.722 ( -7.345 -5.423 -9.469) 13.154 12.254 ( 5.681 -5.227 1.812) 7.930 12.314 ( -8.842 -3.165 6.506) 11.425 13.009 ( -0.098 2.219 6.190) 6.576 13.549 ( 2.917 -5.001 -12.264) 13.562 13.702 ( 7.370 7.768 -6.622) 12.590 13.751 ( -6.384 -0.438 -8.240) 10.432 14.148 ( 7.683 1.676 -1.095) 7.940 14.317 ( -10.930 6.834 -3.322) 13.312 15.055 ( 1.074 0.026 1.231) 1.634 15.195 ( -1.739 0.980 -2.375) 3.102 15.630 ( 1.606 -2.526 9.267) 9.738 15.920 ( 2.884 -4.946 -2.927) 6.430 16.188 ( -3.642 1.998 13.450) 14.077 16.465 ( -1.559 -4.288 12.929) 13.711 16.717 ( -4.809 0.631 -4.326) 6.499 16.806 ( 5.810 -2.017 -2.319) 6.573 24.368 ( 2.348 -0.298 0.312) 2.387 24.427 ( -2.913 -0.642 -0.238) 2.993 24.559 ( 2.045 0.663 0.688) 2.257 24.629 ( -1.151 -0.352 -0.779) 1.434 25.827 ( 0.506 1.187 1.254) 1.799 25.911 ( -2.973 -0.965 -0.780) 3.222 26.183 ( -0.306 -0.801 1.411) 1.651 26.231 ( 0.499 0.085 -0.305) 0.591 26.906 ( -0.646 0.500 10.150) 10.182 26.916 ( -3.655 0.951 13.441) 13.962 27.460 ( 0.125 5.182 -13.877) 14.813 27.594 ( 7.279 8.376 -22.445) 25.039 28.723 ( -0.207 3.812 2.506) 4.567 28.817 ( -1.739 -0.015 -0.884) 1.950 29.612 ( -0.925 -9.668 12.842) 16.101 29.868 ( 3.787 -13.581 -1.654) 14.195 ======================= Grid point 183 (87/140) ======================= q-point: (-0.11 0.11 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 244 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.319 ( -0.645 9.384 7.736) 12.179 1.561 ( 0.856 5.116 -2.673) 5.835 1.591 ( -8.389 11.584 14.665) 20.485 1.983 ( -4.896 8.974 10.957) 14.985 2.213 ( -1.603 -1.867 -5.278) 5.823 2.363 ( 11.918 6.156 -14.003) 19.391 2.571 ( 3.825 -8.694 9.742) 13.606 2.807 ( -1.869 10.016 5.438) 11.549 2.967 ( 1.010 5.918 6.062) 8.532 3.147 ( 2.373 -2.763 -0.611) 3.693 3.164 ( -2.238 4.052 9.057) 10.171 3.488 ( -3.849 1.184 5.588) 6.888 3.521 ( 2.723 0.887 -5.169) 5.909 3.700 ( -6.993 -4.814 1.742) 8.666 3.854 ( 11.149 -0.329 1.467) 11.250 4.218 ( -3.628 -3.920 3.561) 6.419 4.336 ( -1.962 13.384 10.712) 17.255 4.437 ( -1.989 2.580 0.182) 3.263 4.639 ( 1.655 0.884 -18.378) 18.473 4.837 ( -1.348 6.360 7.079) 9.611 5.069 ( 1.545 14.688 -19.302) 24.304 5.185 ( 1.009 5.152 -8.584) 10.062 5.399 ( 3.412 3.527 6.336) 8.015 5.671 ( 1.390 0.710 -5.242) 5.470 5.852 ( -4.035 -3.078 8.672) 10.048 6.067 ( 2.394 -5.221 2.428) 6.236 6.149 ( -2.264 -4.535 -0.449) 5.089 6.269 ( -6.499 -6.864 -0.594) 9.471 6.341 ( 2.277 -2.773 -1.774) 4.003 6.530 ( 0.963 -3.650 -6.868) 7.837 6.630 ( 1.031 5.280 4.179) 6.812 6.699 ( 0.238 8.194 -1.134) 8.276 6.917 ( -3.873 -0.222 7.803) 8.714 7.109 ( -4.104 4.759 5.100) 8.093 7.251 ( 3.667 -1.308 2.042) 4.396 7.446 ( 0.550 6.026 -1.746) 6.298 7.500 ( 1.496 3.825 -1.673) 4.435 7.586 ( 2.913 1.323 -5.273) 6.168 7.738 ( 2.835 0.079 0.758) 2.936 8.077 ( -0.561 4.870 -9.213) 10.436 8.250 ( -1.129 2.011 2.614) 3.486 8.383 ( 2.987 -3.474 -3.091) 5.527 8.638 ( -1.294 -5.039 1.659) 5.461 8.729 ( -2.442 -0.785 -5.273) 5.864 9.165 ( -0.316 -9.585 2.520) 9.916 9.337 ( 0.282 -6.901 -6.992) 9.828 9.778 ( 6.025 -3.019 5.668) 8.806 9.975 ( -5.959 -9.103 -1.337) 10.962 10.991 ( 7.595 -0.802 7.926) 11.006 11.186 ( -10.106 -7.271 8.546) 15.101 11.486 ( -0.885 7.530 -3.780) 8.472 11.894 ( 5.389 -12.070 -12.893) 18.465 12.309 ( -8.473 -4.411 5.789) 11.170 12.389 ( 7.147 -3.364 0.052) 7.900 12.956 ( -2.647 4.685 12.682) 13.776 13.523 ( 0.538 8.257 -7.554) 11.204 13.625 ( 5.910 3.495 -3.251) 7.597 13.805 ( -2.963 -9.683 -17.627) 20.329 14.150 ( -6.239 2.023 -0.882) 6.618 14.190 ( 9.076 2.474 -3.794) 10.143 15.058 ( 0.825 0.686 2.531) 2.749 15.177 ( -0.750 -0.211 -2.189) 2.324 15.683 ( 1.310 -1.024 10.915) 11.041 16.009 ( 0.782 -3.741 -4.477) 5.886 16.131 ( -2.828 2.954 14.798) 15.353 16.563 ( -2.271 -6.090 3.353) 7.313 16.648 ( -5.310 0.345 3.235) 6.227 16.894 ( 3.616 -2.894 -3.084) 5.564 24.390 ( 0.811 -0.548 0.717) 1.213 24.422 ( -1.006 -0.769 -0.835) 1.517 24.563 ( 1.896 0.746 1.422) 2.484 24.616 ( -1.713 0.402 -1.200) 2.130 25.807 ( -0.366 1.272 2.923) 3.209 25.912 ( -1.114 -1.324 -1.921) 2.586 26.200 ( -0.716 -1.250 1.578) 2.137 26.241 ( 2.127 0.163 0.095) 2.136 26.884 ( -2.109 0.146 7.225) 7.528 26.908 ( -1.317 0.379 9.918) 10.012 27.307 ( -0.186 9.941 -13.000) 16.366 27.464 ( 7.347 10.677 -17.675) 21.918 28.665 ( -0.063 3.057 3.998) 5.033 28.812 ( -0.297 -0.483 -2.966) 3.019 29.836 ( -4.038 -15.886 14.529) 21.903 30.123 ( 0.223 -13.109 -2.363) 13.322 ======================= Grid point 186 (88/140) ======================= q-point: ( 0.22 0.22 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.163 ( 6.404 0.000 10.288) 12.118 1.471 ( 3.559 0.000 -0.083) 3.560 1.598 ( 4.989 0.000 15.876) 16.641 1.676 ( 11.170 0.000 2.982) 11.561 2.228 ( 2.902 0.000 -8.615) 9.090 2.512 ( -5.142 -0.000 -1.801) 5.449 2.516 ( -7.568 -0.000 7.151) 10.412 2.734 ( -1.316 -0.000 -16.752) 16.803 2.928 ( -0.872 -0.000 -0.567) 1.040 3.002 ( -1.843 -0.000 30.780) 30.835 3.257 ( -9.526 -0.000 2.104) 9.755 3.304 ( 3.814 0.000 -6.380) 7.433 3.520 ( -3.047 -0.000 -2.595) 4.002 3.728 ( -1.073 -0.000 7.892) 7.965 4.058 ( -9.570 -0.000 7.211) 11.983 4.072 ( 4.384 0.000 5.191) 6.794 4.161 ( -1.806 -0.000 -7.874) 8.079 4.217 ( 4.243 0.000 1.153) 4.397 4.622 ( -1.281 -0.000 -7.560) 7.668 4.643 ( 6.561 0.000 -24.606) 25.465 4.962 ( 6.637 0.000 2.856) 7.225 5.115 ( 2.848 0.000 1.016) 3.024 5.701 ( -0.324 -0.000 -7.751) 7.758 5.722 ( 1.246 0.000 0.526) 1.352 5.910 ( 4.994 0.000 5.425) 7.373 6.036 ( -4.683 -0.000 7.284) 8.660 6.269 ( -0.731 -0.000 7.506) 7.541 6.419 ( 2.180 0.000 8.917) 9.180 6.437 ( 11.924 0.000 -7.487) 14.080 6.536 ( 2.149 0.000 -2.357) 3.190 6.724 ( 7.494 0.000 -5.509) 9.301 6.758 ( 0.166 0.000 -0.993) 1.006 6.984 ( 6.125 0.000 -2.751) 6.714 7.178 ( 3.190 0.000 -3.558) 4.778 7.213 ( 6.570 0.000 3.240) 7.325 7.327 ( 7.955 0.000 1.246) 8.052 7.527 ( -1.395 -0.000 6.791) 6.932 7.599 ( -5.249 -0.000 1.669) 5.508 7.707 ( 1.827 0.000 1.321) 2.255 8.013 ( 2.746 0.000 -16.283) 16.513 8.075 ( -6.298 -0.000 6.241) 8.866 8.352 ( -4.149 -0.000 -6.000) 7.295 8.604 ( -2.980 -0.000 -4.202) 5.151 8.896 ( 6.789 0.000 2.739) 7.320 9.297 ( -1.831 -0.000 -3.108) 3.607 9.424 ( -8.067 -0.000 -3.509) 8.797 9.687 ( -13.301 -0.000 8.416) 15.740 9.819 ( -9.014 -0.000 -3.491) 9.666 10.861 ( -10.702 -0.000 9.951) 14.614 11.068 ( -6.219 -0.000 -10.318) 12.047 11.448 ( 3.462 0.000 16.852) 17.204 12.358 ( 8.172 0.000 -17.070) 18.925 12.453 ( 5.910 0.000 -3.963) 7.116 12.576 ( 2.033 0.000 2.839) 3.492 12.640 ( -6.653 -0.000 15.064) 16.467 13.362 ( -0.040 -0.000 -1.359) 1.359 13.848 ( -2.911 -0.000 -14.559) 14.847 13.857 ( 7.087 0.000 -0.619) 7.114 14.339 ( 10.559 0.000 0.334) 10.565 14.381 ( 12.253 0.000 -11.395) 16.733 15.103 ( 2.761 0.000 4.424) 5.215 15.228 ( 3.364 0.000 -4.330) 5.483 15.695 ( -7.407 -0.000 9.438) 11.997 15.817 ( -8.199 -0.000 -4.198) 9.212 16.237 ( 1.771 0.000 14.553) 14.660 16.370 ( -4.362 -0.000 -0.094) 4.363 16.550 ( -12.694 -0.000 7.270) 14.629 16.947 ( 2.637 0.000 -5.981) 6.537 24.361 ( -1.702 -0.000 -0.460) 1.763 24.454 ( 0.042 0.000 1.106) 1.107 24.519 ( -1.455 -0.000 -1.320) 1.965 24.613 ( 0.796 0.000 0.880) 1.187 25.892 ( 6.274 0.000 6.917) 9.338 26.095 ( -3.775 -0.000 1.642) 4.117 26.097 ( 2.226 0.000 -5.299) 5.748 26.452 ( 9.720 0.000 1.167) 9.790 26.903 ( -0.768 -0.000 5.578) 5.631 26.998 ( 1.543 0.000 -0.979) 1.827 27.085 ( 3.220 0.000 -14.191) 14.552 27.173 ( 0.561 0.000 -7.501) 7.522 28.682 ( 3.449 0.000 7.068) 7.865 28.890 ( 5.598 0.000 -4.798) 7.373 29.675 ( -27.486 -0.000 16.733) 32.179 30.082 ( -13.703 -0.000 0.579) 13.715 ======================= Grid point 187 (89/140) ======================= q-point: ( 0.33 0.22 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 244 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.340 ( 7.137 -10.694 2.869) 13.173 1.465 ( -0.035 0.204 -3.730) 3.735 1.648 ( 12.211 1.953 10.009) 15.909 1.920 ( 10.743 -12.125 10.355) 19.226 2.197 ( 0.020 4.438 -3.576) 5.700 2.407 ( -13.226 -0.560 2.748) 13.520 2.547 ( -4.295 -6.354 -2.490) 8.064 2.744 ( 0.666 -3.231 -19.990) 20.260 2.915 ( -8.809 -2.580 -1.845) 9.363 3.076 ( 4.197 -1.369 22.852) 23.274 3.216 ( -7.743 -5.557 6.403) 11.482 3.312 ( 0.970 1.637 -8.002) 8.225 3.448 ( -0.088 3.389 -1.892) 3.883 3.733 ( 3.130 1.554 8.734) 9.407 3.983 ( -6.538 1.771 8.873) 11.163 4.125 ( -0.390 -1.195 -11.596) 11.664 4.225 ( 0.660 -9.004 8.208) 12.202 4.276 ( 3.007 -2.828 2.184) 4.670 4.620 ( -2.171 -3.699 -5.803) 7.216 4.739 ( 3.062 -7.174 -18.826) 20.378 4.972 ( 7.831 3.462 3.500) 9.249 5.194 ( 3.505 -4.219 0.584) 5.516 5.645 ( -1.886 2.374 -5.225) 6.041 5.717 ( -4.917 -0.113 5.538) 7.407 5.935 ( 2.250 3.803 2.417) 5.036 6.001 ( 1.406 1.265 5.500) 5.816 6.275 ( -0.961 -0.037 6.934) 7.001 6.347 ( 4.487 8.410 3.828) 10.272 6.452 ( 7.276 7.063 -4.265) 11.001 6.645 ( 5.154 -6.420 -4.399) 9.335 6.790 ( 1.866 -1.686 -3.048) 3.952 6.817 ( 5.559 -4.688 1.259) 7.380 6.927 ( 6.468 8.090 -1.847) 10.521 7.164 ( 5.923 3.292 -1.447) 6.929 7.272 ( 2.032 -0.990 7.132) 7.481 7.450 ( 1.500 -0.913 4.873) 5.180 7.548 ( 1.264 -6.247 -6.851) 9.358 7.604 ( -1.647 -3.225 2.984) 4.692 7.751 ( 0.498 -3.389 1.416) 3.707 8.006 ( -1.713 -0.756 -1.339) 2.302 8.057 ( -3.683 -2.121 -9.595) 10.494 8.304 ( -3.807 1.229 -5.902) 7.130 8.550 ( -0.453 3.722 -1.151) 3.922 8.943 ( 5.629 0.975 4.285) 7.141 9.214 ( -4.399 7.264 -2.216) 8.776 9.366 ( -4.395 -2.291 -4.283) 6.550 9.531 ( -13.443 4.457 3.199) 14.519 9.797 ( -4.356 -2.395 -3.253) 5.941 10.792 ( -10.096 0.128 8.438) 13.159 11.019 ( -5.862 -1.162 -8.859) 10.686 11.474 ( 3.453 2.059 16.438) 16.922 12.268 ( 5.109 9.289 -7.395) 12.926 12.486 ( 7.153 6.381 -7.799) 12.357 12.564 ( -2.566 1.847 6.220) 6.977 12.717 ( -0.822 -10.401 5.707) 11.892 13.393 ( -4.021 -4.793 -5.208) 8.140 13.728 ( 0.714 8.372 -8.080) 11.657 13.894 ( 5.795 2.082 -4.682) 7.735 14.359 ( 11.431 5.002 -1.885) 12.619 14.541 ( 10.426 -5.754 -7.672) 14.166 15.140 ( 2.644 -0.669 3.569) 4.492 15.246 ( 4.589 0.568 -4.484) 6.441 15.619 ( -10.170 1.360 7.701) 12.829 15.750 ( -8.403 -0.139 -4.365) 9.470 16.259 ( 0.053 0.447 14.767) 14.774 16.359 ( -3.722 -1.961 1.926) 4.627 16.455 ( -7.111 1.471 9.611) 12.046 16.966 ( 1.835 -0.617 -7.444) 7.691 24.346 ( -0.879 0.360 -0.232) 0.977 24.455 ( -2.011 -0.631 -0.093) 2.109 24.512 ( 0.664 0.038 -0.121) 0.676 24.617 ( 0.022 0.034 0.745) 0.746 25.943 ( 5.658 1.188 5.684) 8.108 26.014 ( -0.056 4.079 0.521) 4.112 26.127 ( -1.019 -1.009 -0.879) 1.682 26.538 ( 8.825 -0.480 1.360) 8.942 26.878 ( -1.488 4.581 2.473) 5.414 26.931 ( -0.173 5.009 0.046) 5.012 27.092 ( -0.010 -7.594 -6.520) 10.009 27.365 ( 2.624 -12.832 -15.478) 20.276 28.735 ( 4.431 -1.425 7.148) 8.530 28.927 ( 6.715 0.779 -4.347) 8.037 29.455 ( -21.769 3.410 17.295) 28.011 29.925 ( -14.318 4.544 -1.439) 15.091 ======================= Grid point 188 (90/140) ======================= q-point: ( 0.44 0.22 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 244 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.480 ( 1.509 -2.787 -2.306) 3.919 1.575 ( 1.676 -9.521 0.224) 9.670 1.727 ( 10.654 1.211 6.262) 12.417 2.074 ( -3.342 3.631 1.404) 5.131 2.261 ( 10.668 -11.965 4.996) 16.791 2.377 ( -8.983 -6.021 7.830) 13.351 2.628 ( -2.519 -5.579 -0.361) 6.132 2.787 ( -0.986 -4.010 -17.261) 17.748 2.862 ( -11.220 -1.044 1.268) 11.340 3.097 ( -4.484 0.085 7.280) 8.551 3.258 ( 1.423 2.505 -9.888) 10.299 3.352 ( 4.623 -7.292 -3.071) 9.164 3.444 ( 1.314 -0.082 5.342) 5.501 3.735 ( 1.492 1.623 8.101) 8.396 3.930 ( -0.875 0.720 7.958) 8.038 4.093 ( -3.230 2.386 -6.019) 7.236 4.379 ( 2.628 -7.367 1.203) 7.914 4.433 ( 3.190 -11.042 7.984) 13.995 4.700 ( -5.449 -9.132 -0.809) 10.665 4.888 ( 1.590 -9.685 -13.698) 16.851 5.017 ( 8.058 -0.962 2.284) 8.430 5.263 ( 0.366 -0.817 0.506) 1.028 5.612 ( -1.355 -1.354 -1.995) 2.766 5.679 ( -4.772 0.277 4.664) 6.679 5.846 ( -2.510 4.740 4.475) 6.985 5.998 ( 3.953 4.107 2.534) 6.238 6.177 ( 4.308 10.022 4.591) 11.836 6.328 ( 2.084 1.777 4.106) 4.935 6.381 ( 5.886 4.371 -4.318) 8.509 6.673 ( 0.738 4.960 -1.964) 5.385 6.780 ( 0.379 3.960 -1.113) 4.131 6.924 ( 2.409 -4.825 -1.495) 5.597 6.954 ( 6.001 -3.265 -2.520) 7.282 7.146 ( 1.244 2.363 3.732) 4.589 7.328 ( 6.005 -1.058 6.459) 8.883 7.406 ( -6.380 2.030 4.502) 8.068 7.648 ( 4.513 -1.272 -1.084) 4.813 7.680 ( 0.924 -5.429 -3.287) 6.414 7.832 ( -2.041 -5.484 -1.886) 6.148 8.000 ( -7.119 -2.196 -1.776) 7.659 8.078 ( 3.621 -1.768 -9.991) 10.773 8.242 ( -0.855 2.217 -2.715) 3.608 8.493 ( 1.368 2.649 0.175) 2.986 8.925 ( -3.911 4.419 -0.337) 5.911 9.062 ( 2.920 6.239 3.469) 7.713 9.325 ( -4.491 4.292 -5.375) 8.215 9.447 ( -3.793 -4.153 -2.270) 6.065 9.780 ( -4.771 0.251 -2.959) 5.620 10.717 ( -6.565 1.301 6.594) 9.395 10.994 ( -6.817 -2.553 -5.047) 8.857 11.482 ( 3.290 1.882 13.761) 14.274 12.151 ( 4.894 7.584 -6.041) 10.861 12.368 ( 5.497 10.496 -4.615) 12.715 12.496 ( -5.421 3.619 8.974) 11.092 12.909 ( 2.026 -9.834 -1.107) 10.102 13.387 ( -7.134 0.705 -13.657) 15.424 13.636 ( 3.910 1.902 1.203) 4.511 13.890 ( 5.014 1.898 -7.625) 9.321 14.353 ( 12.342 6.213 -1.469) 13.896 14.687 ( 4.420 -4.018 -5.073) 7.837 15.145 ( 0.884 2.215 -0.103) 2.387 15.289 ( 7.248 -0.356 -1.741) 7.463 15.523 ( -10.408 0.750 6.731) 12.418 15.676 ( -8.052 0.023 -4.680) 9.314 16.254 ( -1.513 1.088 14.001) 14.125 16.368 ( -2.978 -1.464 7.172) 7.903 16.439 ( -1.953 -2.283 7.263) 7.860 16.971 ( 1.341 0.631 -8.175) 8.308 24.338 ( 0.242 0.189 -0.129) 0.333 24.442 ( -3.104 -0.416 -0.677) 3.204 24.528 ( 1.950 -0.438 0.517) 2.065 24.614 ( -0.808 0.036 0.661) 1.045 25.925 ( 1.455 3.373 0.210) 3.680 25.980 ( 1.788 1.880 3.083) 4.030 26.135 ( 0.680 -0.277 2.086) 2.211 26.559 ( 6.568 6.927 -3.681) 10.231 26.778 ( -3.466 0.170 6.397) 7.277 26.925 ( -1.110 -1.156 9.996) 10.123 27.231 ( 0.398 -8.749 -10.858) 13.950 27.565 ( 1.881 -9.941 -18.857) 21.400 28.804 ( 3.959 -1.201 6.092) 7.364 28.957 ( 6.841 1.670 -3.054) 7.676 29.290 ( -13.655 0.637 14.439) 19.883 29.722 ( -11.945 5.756 -2.094) 13.424 ======================= Grid point 189 (91/140) ======================= q-point: ( 0.56 0.22 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 244 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.553 ( 1.648 -3.223 0.649) 3.678 1.700 ( 0.367 -4.192 0.625) 4.254 1.796 ( 6.738 -1.272 3.697) 7.790 1.984 ( -4.117 1.926 0.130) 4.547 2.422 ( -6.789 -4.552 7.450) 11.059 2.551 ( 2.737 -8.534 0.262) 8.966 2.704 ( 3.272 -3.371 5.388) 7.148 2.794 ( -6.081 -2.735 2.533) 7.133 2.837 ( -3.619 -4.855 -9.994) 11.686 3.067 ( -2.538 0.400 5.228) 5.826 3.231 ( 3.887 1.967 -8.545) 9.592 3.387 ( 0.257 4.027 -1.508) 4.308 3.482 ( 3.928 0.890 1.116) 4.179 3.740 ( -5.017 -5.125 2.364) 7.552 3.964 ( 6.113 1.198 -2.595) 6.748 3.998 ( -3.691 2.887 2.373) 5.253 4.512 ( 4.901 -3.293 0.408) 5.919 4.716 ( 3.093 -15.272 6.430) 16.857 4.830 ( -4.067 -10.189 3.337) 11.467 5.043 ( -2.411 -9.319 -2.685) 9.993 5.102 ( 1.160 -1.918 -1.568) 2.735 5.252 ( 0.771 -0.020 -1.061) 1.311 5.632 ( -2.181 -0.172 3.900) 4.472 5.680 ( -0.465 -4.050 -0.367) 4.093 5.771 ( -2.118 1.833 4.113) 4.977 5.902 ( 3.185 9.359 4.166) 10.728 6.091 ( 7.661 6.330 1.797) 10.099 6.222 ( -1.844 7.655 1.845) 8.088 6.430 ( 4.450 -2.165 -4.622) 6.771 6.561 ( 2.330 7.674 -0.999) 8.082 6.709 ( -4.481 1.724 0.383) 4.816 6.982 ( 0.629 0.804 0.267) 1.056 7.007 ( -0.196 -0.633 -6.965) 6.997 7.130 ( -3.542 -1.626 2.757) 4.773 7.321 ( -3.879 1.869 6.190) 7.540 7.403 ( 7.358 0.506 7.244) 10.338 7.679 ( 5.445 1.641 -5.374) 7.824 7.784 ( 0.867 -5.291 2.541) 5.933 7.857 ( -7.002 -2.061 -6.823) 9.991 7.967 ( -4.978 -0.718 -4.135) 6.511 8.135 ( 6.107 -0.257 -2.129) 6.472 8.250 ( 5.286 -1.453 -1.670) 5.731 8.479 ( 0.729 0.231 0.636) 0.994 8.770 ( -9.191 4.432 -3.433) 10.766 9.022 ( 4.243 4.560 5.030) 8.007 9.237 ( 0.943 2.531 -7.449) 7.924 9.501 ( 0.142 -3.325 -3.491) 4.823 9.714 ( -5.566 1.434 -1.567) 5.958 10.684 ( -1.616 -0.902 6.588) 6.843 10.985 ( -6.827 -3.215 -1.921) 7.786 11.496 ( 1.971 0.443 9.987) 10.189 12.069 ( 4.906 5.731 -8.646) 11.474 12.229 ( 5.054 9.261 -0.959) 10.593 12.378 ( -7.564 4.606 9.356) 12.883 13.068 ( 2.835 -5.521 -4.241) 7.517 13.283 ( -3.364 1.802 -12.365) 12.940 13.682 ( 0.370 -3.030 1.861) 3.575 13.894 ( 3.741 0.827 -9.252) 10.014 14.339 ( 13.308 6.943 -1.293) 15.065 14.706 ( -5.761 1.303 -2.616) 6.460 15.101 ( 1.658 3.091 -0.298) 3.521 15.338 ( 5.546 1.762 -2.303) 6.258 15.458 ( -7.496 -1.592 5.535) 9.453 15.643 ( -4.036 -3.217 -3.742) 6.375 16.242 ( -1.490 0.668 13.499) 13.597 16.382 ( -1.501 -0.816 12.243) 12.362 16.495 ( -0.931 -4.452 2.635) 5.256 16.944 ( 0.999 2.416 -8.049) 8.463 24.343 ( 1.440 -0.066 -0.136) 1.448 24.424 ( -3.149 -0.476 -0.365) 3.205 24.552 ( 2.033 -0.311 0.331) 2.083 24.607 ( -1.302 -0.285 0.442) 1.404 25.886 ( 1.612 2.281 0.058) 2.793 25.955 ( -0.785 1.694 0.953) 2.096 26.150 ( 1.553 0.070 3.158) 3.520 26.433 ( 1.373 8.408 -4.509) 9.639 26.812 ( -1.733 -3.249 11.762) 12.325 26.950 ( -1.312 -0.931 13.170) 13.268 27.366 ( 1.490 -7.367 -14.598) 16.420 27.690 ( 1.490 -5.425 -20.466) 21.225 28.834 ( 0.896 0.830 5.075) 5.220 28.956 ( 3.988 3.504 -1.312) 5.468 29.276 ( -3.643 -5.390 9.133) 11.213 29.557 ( -7.838 3.279 -0.256) 8.500 ======================= Grid point 190 (92/140) ======================= q-point: (-0.33 0.22 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 244 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.579 ( 0.430 1.465 3.752) 4.051 1.730 ( -0.345 0.880 -0.434) 1.040 1.904 ( 2.765 -5.863 1.935) 6.765 1.981 ( 0.684 -3.609 -1.694) 4.045 2.360 ( -6.522 6.362 6.795) 11.366 2.585 ( -2.135 0.233 -4.008) 4.547 2.715 ( -1.672 2.781 11.910) 12.344 2.886 ( -1.744 -3.877 -5.493) 6.946 2.939 ( -4.682 -6.489 3.010) 8.549 3.064 ( 6.978 -2.775 -0.073) 7.510 3.234 ( 5.078 0.812 -6.371) 8.188 3.338 ( -0.405 1.847 -1.184) 2.231 3.441 ( -0.993 1.985 7.200) 7.534 3.783 ( -1.658 1.052 -7.091) 7.358 3.954 ( 1.343 -4.353 0.774) 4.620 4.002 ( -0.823 -0.358 2.718) 2.862 4.557 ( 5.960 3.532 1.433) 7.075 4.844 ( -3.736 -1.697 3.826) 5.610 5.004 ( 2.696 -1.155 1.240) 3.184 5.052 ( -3.279 2.439 0.657) 4.139 5.212 ( -7.662 -11.702 1.753) 14.097 5.305 ( 5.253 -4.861 -0.420) 7.169 5.610 ( -0.722 1.764 2.459) 3.111 5.744 ( -0.993 3.071 1.930) 3.761 5.764 ( 1.154 -3.426 -1.314) 3.847 5.817 ( 2.458 -0.964 6.688) 7.191 6.039 ( 4.253 6.288 -0.006) 7.591 6.088 ( -2.346 4.510 1.795) 5.392 6.439 ( 7.124 6.995 -3.129) 10.463 6.478 ( -5.199 -0.171 -5.683) 7.704 6.683 ( -2.052 -2.476 0.935) 3.349 6.935 ( -1.587 2.879 2.249) 3.983 6.979 ( -1.643 1.620 -7.505) 7.852 7.118 ( -6.120 -1.319 3.511) 7.178 7.320 ( 4.222 -0.063 2.633) 4.977 7.439 ( 2.962 0.873 7.956) 8.535 7.676 ( 6.382 3.325 -5.246) 8.906 7.802 ( -6.461 -0.182 -3.887) 7.542 7.864 ( 0.556 -1.540 -2.766) 3.215 7.947 ( -3.247 -1.189 -2.495) 4.264 8.170 ( 5.355 1.141 2.171) 5.890 8.335 ( 4.822 -2.925 -2.171) 6.043 8.482 ( -1.719 -0.349 1.689) 2.435 8.661 ( -5.820 0.175 -4.295) 7.236 8.966 ( -0.176 3.683 3.602) 5.154 9.218 ( 3.585 1.656 -9.075) 9.897 9.561 ( 4.026 -2.497 -2.037) 5.157 9.681 ( -4.813 -3.358 0.101) 5.870 10.736 ( 0.413 -4.188 7.874) 8.928 10.997 ( -4.206 -3.335 0.259) 5.374 11.518 ( 0.080 -1.024 5.333) 5.431 11.972 ( 3.430 8.763 -11.960) 15.218 12.166 ( 6.102 2.369 3.649) 7.494 12.261 ( -9.079 1.859 7.158) 11.710 13.094 ( 1.748 2.481 -3.495) 4.629 13.313 ( 1.110 -6.477 -11.332) 13.100 13.721 ( -2.752 -2.159 0.326) 3.514 13.887 ( 2.835 2.077 -8.965) 9.629 14.321 ( 13.266 7.201 -0.821) 15.117 14.560 ( -11.360 5.919 -2.625) 13.076 15.075 ( 2.278 1.835 1.205) 3.163 15.289 ( -1.127 3.929 -5.006) 6.463 15.493 ( -1.615 -4.508 7.483) 8.884 15.713 ( 0.333 -6.148 -3.455) 7.060 16.233 ( -1.960 0.707 13.612) 13.770 16.398 ( -1.314 -0.538 14.751) 14.820 16.579 ( -0.131 -5.305 -1.230) 5.447 16.890 ( 0.895 3.477 -6.885) 7.765 24.362 ( 2.510 -0.203 -0.093) 2.520 24.407 ( -3.180 -0.500 -0.054) 3.219 24.570 ( 1.703 0.038 0.325) 1.734 24.606 ( -1.314 -0.719 -0.086) 1.500 25.870 ( 2.190 1.398 0.149) 2.603 25.916 ( -2.356 1.250 0.195) 2.674 26.163 ( 0.961 -0.007 2.619) 2.789 26.312 ( -0.281 5.130 -2.806) 5.854 26.863 ( -1.678 -2.375 13.157) 13.474 26.959 ( -1.923 0.414 14.566) 14.698 27.469 ( 2.424 -4.362 -16.279) 17.026 27.733 ( 2.337 -0.721 -21.837) 21.974 28.816 ( -0.606 1.454 3.731) 4.050 28.901 ( 0.907 4.605 -0.257) 4.701 29.397 ( 0.584 -6.581 5.578) 8.647 29.507 ( -3.090 -3.662 2.507) 5.408 ======================= Grid point 191 (93/140) ======================= q-point: (-0.22 0.22 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 244 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.546 ( 1.404 3.278 2.515) 4.363 1.666 ( -1.816 4.864 -2.304) 5.681 2.001 ( -6.556 -6.764 1.942) 9.619 2.101 ( 6.076 -4.910 -3.628) 8.613 2.159 ( -2.168 12.883 9.108) 15.926 2.532 ( 3.069 5.658 0.021) 6.437 2.624 ( 0.100 7.075 10.311) 12.505 2.910 ( -1.650 -2.098 -0.337) 2.690 2.975 ( -1.214 -4.579 -4.002) 6.201 3.174 ( 2.161 6.717 -6.845) 9.831 3.229 ( -3.046 -5.934 3.226) 7.409 3.332 ( -0.733 -2.284 0.435) 2.438 3.486 ( 2.285 -5.205 2.852) 6.360 3.712 ( 2.402 4.928 -5.339) 7.653 3.998 ( -2.691 -0.319 8.675) 9.088 4.076 ( -1.055 -6.755 0.656) 6.868 4.489 ( 5.430 8.831 1.541) 10.481 4.785 ( -2.993 6.188 2.778) 7.414 4.857 ( -2.727 10.159 2.954) 10.925 5.035 ( 2.220 3.350 3.084) 5.066 5.254 ( -3.243 -1.482 -2.150) 4.163 5.460 ( 4.111 -1.506 -7.556) 8.733 5.540 ( 1.593 6.391 3.497) 7.458 5.668 ( -5.136 1.142 4.351) 6.828 5.836 ( 0.412 -2.934 0.890) 3.094 5.898 ( -1.193 -3.993 -0.993) 4.284 6.010 ( -0.665 -1.943 1.682) 2.655 6.028 ( -0.096 -0.348 1.603) 1.643 6.384 ( 7.786 4.384 -4.792) 10.139 6.428 ( -5.672 -0.619 -4.146) 7.053 6.737 ( 1.675 -2.518 0.183) 3.030 6.868 ( -3.889 4.142 5.342) 7.798 6.922 ( -0.356 1.702 -4.357) 4.691 7.127 ( -2.191 -2.962 1.203) 3.875 7.343 ( 3.072 2.639 4.408) 5.986 7.449 ( 0.252 -0.243 5.736) 5.747 7.658 ( 6.793 4.456 -4.005) 9.058 7.732 ( -0.680 4.510 -3.923) 6.016 7.843 ( 0.899 3.287 -2.623) 4.300 7.982 ( -4.542 -7.708 -10.500) 13.795 8.203 ( 4.016 -0.345 5.737) 7.011 8.408 ( -1.162 -4.153 -0.993) 4.425 8.453 ( -4.395 1.510 2.289) 5.180 8.663 ( 1.012 -2.400 -3.238) 4.155 8.933 ( -1.870 -1.426 2.885) 3.722 9.207 ( 2.569 0.484 -9.267) 9.628 9.655 ( 5.924 -3.553 0.783) 6.952 9.740 ( -3.883 -6.351 -1.111) 7.527 10.840 ( -1.990 -7.182 9.518) 12.089 11.030 ( -0.359 -1.750 3.901) 4.291 11.559 ( -1.280 -4.489 -2.191) 5.157 11.814 ( 3.958 10.075 -10.116) 14.816 12.188 ( -8.868 -1.332 6.420) 11.028 12.240 ( 5.845 -3.584 2.943) 7.461 13.062 ( 1.971 2.592 1.500) 3.585 13.436 ( 1.767 -7.476 -14.208) 16.151 13.706 ( -5.065 0.472 -1.388) 5.272 13.844 ( 3.472 4.429 -7.496) 9.374 14.277 ( 0.747 6.345 0.704) 6.428 14.379 ( 1.950 6.727 -5.347) 8.812 15.073 ( 1.936 0.639 1.672) 2.636 15.211 ( -1.731 2.652 -4.341) 5.373 15.577 ( -0.877 -4.804 8.316) 9.644 15.825 ( 0.320 -6.324 -3.670) 7.319 16.213 ( -2.447 1.468 14.484) 14.762 16.419 ( -1.768 -1.493 15.146) 15.322 16.653 ( -1.696 -3.237 -4.462) 5.767 16.842 ( 2.508 1.732 -4.370) 5.327 24.384 ( 0.747 0.064 0.294) 0.806 24.395 ( -0.677 -0.765 -0.239) 1.049 24.579 ( 0.767 0.126 0.695) 1.043 24.609 ( -0.876 -0.607 -0.762) 1.310 25.863 ( 0.810 1.681 0.693) 1.990 25.884 ( -1.078 0.075 -0.313) 1.125 26.171 ( -0.031 -0.266 1.877) 1.896 26.250 ( 0.268 1.570 -1.504) 2.191 26.896 ( -2.058 -1.201 13.697) 13.903 26.938 ( -2.311 1.712 13.371) 13.677 27.502 ( 1.582 0.761 -15.509) 15.608 27.714 ( 4.755 2.868 -23.186) 23.842 28.791 ( 0.662 2.071 1.810) 2.829 28.825 ( -0.854 3.390 0.511) 3.533 29.480 ( -2.703 -5.103 9.485) 11.105 29.659 ( 0.788 -11.881 0.202) 11.909 ======================= Grid point 192 (94/140) ======================= q-point: (-0.11 0.22 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 244 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.475 ( 1.226 7.085 1.963) 7.453 1.569 ( -1.184 3.010 -2.685) 4.204 1.879 ( -4.795 16.078 10.532) 19.809 2.049 ( -2.509 -0.661 3.084) 4.030 2.166 ( 1.170 0.945 0.005) 1.504 2.504 ( 1.640 1.229 14.068) 14.217 2.555 ( 11.764 3.376 -12.212) 17.290 2.934 ( -0.110 1.970 -0.064) 1.974 3.024 ( -0.718 2.620 -3.350) 4.313 3.074 ( 1.068 -3.695 -0.181) 3.851 3.259 ( -4.248 4.008 4.666) 7.475 3.352 ( -7.370 -7.342 2.588) 10.720 3.611 ( 2.367 -3.732 -2.530) 5.092 3.637 ( 3.052 6.200 -2.015) 7.198 3.972 ( -0.938 2.981 11.131) 11.562 4.139 ( -1.012 -2.197 3.925) 4.611 4.414 ( 1.135 1.436 0.055) 1.831 4.574 ( -2.762 13.829 11.632) 18.281 4.718 ( 2.641 6.134 -10.468) 12.416 4.967 ( -0.030 6.698 6.256) 9.165 5.224 ( -1.243 3.063 -7.039) 7.776 5.317 ( 2.842 12.423 -14.372) 19.209 5.507 ( 2.449 3.295 3.323) 5.282 5.664 ( 0.279 -2.690 2.406) 3.620 5.815 ( -2.312 1.743 3.461) 4.513 5.993 ( -0.999 -6.648 2.416) 7.144 6.017 ( -6.241 -4.045 1.340) 7.556 6.132 ( 1.881 -5.985 -1.352) 6.417 6.370 ( 2.147 2.451 -3.931) 5.106 6.452 ( 2.144 -4.571 -6.326) 8.094 6.738 ( 0.570 5.215 5.621) 7.688 6.792 ( 1.134 1.239 -0.692) 1.816 6.903 ( 0.627 1.259 2.256) 2.659 7.147 ( -2.571 0.501 3.349) 4.252 7.284 ( -0.433 3.373 3.625) 4.970 7.483 ( -0.029 -1.801 6.733) 6.970 7.580 ( 2.708 5.968 -1.862) 6.814 7.680 ( 5.843 5.024 -9.055) 11.890 7.790 ( 2.626 2.660 -2.532) 4.515 8.077 ( -0.753 -4.753 -14.913) 15.670 8.252 ( 1.281 -1.424 4.628) 5.009 8.370 ( -4.300 2.331 0.812) 4.958 8.478 ( -6.592 -7.036 2.662) 10.002 8.717 ( 3.786 -1.477 -0.822) 4.146 9.001 ( -2.257 -7.235 0.686) 7.610 9.247 ( 3.203 -3.841 -7.352) 8.892 9.752 ( -0.323 -3.440 2.773) 4.430 9.816 ( -1.776 -5.666 -2.495) 6.440 10.962 ( -9.084 -9.319 9.457) 16.087 11.052 ( 4.574 0.735 8.049) 9.286 11.565 ( -7.184 3.302 -8.127) 11.338 11.781 ( 12.077 -4.348 -9.327) 15.866 12.172 ( -8.287 -4.085 5.649) 10.829 12.374 ( 6.312 -4.973 3.838) 8.905 13.026 ( 0.226 3.661 6.562) 7.518 13.561 ( 1.790 -6.259 -15.368) 16.690 13.631 ( -5.703 1.296 -4.474) 7.364 13.774 ( 3.899 6.081 -6.301) 9.586 14.143 ( -6.300 3.039 -0.691) 7.029 14.354 ( 14.397 5.483 -5.405) 16.327 15.083 ( 2.190 0.506 1.923) 2.959 15.167 ( -1.048 0.421 -3.137) 3.334 15.654 ( -1.336 -3.653 9.289) 10.071 15.914 ( -2.416 -5.007 -4.726) 7.297 16.182 ( -1.225 2.007 15.962) 16.135 16.461 ( -3.007 -3.712 13.774) 14.579 16.627 ( -4.907 1.812 -4.420) 6.849 16.879 ( 4.088 -2.310 -3.502) 5.858 24.374 ( -2.283 -0.445 0.173) 2.333 24.420 ( 2.837 -0.370 -0.101) 2.863 24.578 ( -1.060 0.085 0.621) 1.232 24.609 ( 0.022 0.096 -0.663) 0.671 25.833 ( -0.548 1.308 1.451) 2.029 25.891 ( 1.175 -0.445 -0.567) 1.379 26.176 ( -0.989 -0.573 1.357) 1.774 26.258 ( 2.903 -0.941 -0.769) 3.147 26.886 ( -3.799 1.414 12.545) 13.183 26.918 ( -0.844 0.391 10.574) 10.614 27.430 ( 0.190 6.098 -13.907) 15.187 27.654 ( 6.509 6.558 -22.594) 24.410 28.737 ( 1.064 4.228 2.545) 5.048 28.803 ( 0.383 -0.265 -1.086) 1.181 29.584 ( -6.409 -9.450 13.737) 17.862 29.879 ( -1.823 -13.223 -1.631) 13.447 ======================= Grid point 196 (95/140) ======================= q-point: ( 0.33 0.33 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.327 ( 11.906 0.000 -2.273) 12.121 1.456 ( -1.827 -0.000 -2.910) 3.435 1.811 ( 13.462 0.000 14.124) 19.511 1.885 ( 12.421 0.000 4.736) 13.293 2.244 ( -1.007 -0.000 -1.052) 1.456 2.330 ( -13.936 -0.000 1.966) 14.074 2.381 ( -7.444 -0.000 -2.997) 8.025 2.691 ( -0.840 -0.000 -20.524) 20.542 2.827 ( -6.632 -0.000 -1.364) 6.771 3.066 ( -14.109 -0.000 3.019) 14.429 3.146 ( 6.807 0.000 18.025) 19.268 3.330 ( 1.150 0.000 -10.770) 10.831 3.469 ( -1.223 -0.000 2.495) 2.779 3.784 ( 5.037 0.000 6.841) 8.495 3.939 ( -7.636 -0.000 8.359) 11.322 4.115 ( 1.472 0.000 -12.084) 12.173 4.175 ( 4.372 0.000 8.931) 9.944 4.271 ( 1.477 0.000 4.806) 5.027 4.536 ( -8.414 -0.000 -0.239) 8.417 4.706 ( 6.887 0.000 -18.297) 19.550 5.086 ( 8.181 0.000 0.702) 8.211 5.169 ( 3.394 0.000 0.825) 3.493 5.636 ( -5.100 -0.000 -3.508) 6.190 5.675 ( -5.348 -0.000 5.905) 7.967 6.000 ( -2.523 -0.000 7.965) 8.355 6.030 ( 6.375 0.000 2.252) 6.761 6.274 ( -0.758 -0.000 7.513) 7.551 6.498 ( 4.931 0.000 6.519) 8.174 6.565 ( 1.345 0.000 -1.642) 2.123 6.602 ( 10.347 0.000 -10.667) 14.861 6.771 ( 2.139 0.000 -0.275) 2.157 6.827 ( 6.756 0.000 -3.901) 7.802 7.072 ( 5.250 0.000 -3.772) 6.465 7.250 ( 6.384 0.000 -2.146) 6.735 7.295 ( 3.449 0.000 5.613) 6.588 7.462 ( 0.473 0.000 -5.406) 5.427 7.502 ( 3.167 0.000 8.539) 9.107 7.509 ( -6.042 -0.000 3.770) 7.121 7.742 ( 2.733 0.000 0.650) 2.810 7.963 ( -7.895 -0.000 2.593) 8.310 8.015 ( 1.992 0.000 -15.415) 15.543 8.279 ( -2.763 -0.000 -8.012) 8.475 8.590 ( 1.332 0.000 1.767) 2.213 9.007 ( 5.696 0.000 7.840) 9.690 9.245 ( -11.966 -0.000 1.052) 12.012 9.268 ( -0.166 -0.000 -8.021) 8.023 9.464 ( -15.621 -0.000 4.803) 16.343 9.744 ( -0.852 -0.000 -7.761) 7.808 10.719 ( -9.574 -0.000 9.093) 13.204 10.967 ( -3.098 -0.000 -10.597) 11.040 11.539 ( 2.753 0.000 18.373) 18.578 12.420 ( 4.020 0.000 -11.278) 11.973 12.561 ( 8.447 0.000 -5.627) 10.150 12.573 ( -5.295 -0.000 10.362) 11.636 12.616 ( 2.328 0.000 0.186) 2.335 13.298 ( -6.670 -0.000 -5.758) 8.811 13.813 ( 1.678 0.000 -7.023) 7.220 13.950 ( 5.299 0.000 -3.763) 6.500 14.516 ( 11.265 0.000 -0.928) 11.303 14.536 ( 8.875 0.000 -7.010) 11.310 15.162 ( 3.161 0.000 4.844) 5.784 15.282 ( 5.233 0.000 -6.320) 8.205 15.546 ( -13.137 -0.000 6.495) 14.655 15.677 ( -7.982 -0.000 -4.644) 9.235 16.276 ( -1.074 -0.000 13.939) 13.980 16.322 ( -2.363 -0.000 3.169) 3.953 16.425 ( -5.418 -0.000 10.469) 11.788 16.965 ( 1.810 0.000 -8.790) 8.974 24.342 ( -0.585 -0.000 -0.169) 0.609 24.434 ( -2.232 -0.000 -0.635) 2.320 24.518 ( 1.140 0.000 0.714) 1.345 24.618 ( -0.228 -0.000 0.397) 0.458 26.001 ( 2.101 0.000 4.048) 4.560 26.065 ( 1.994 0.000 7.992) 8.237 26.103 ( 0.314 0.000 -4.279) 4.291 26.593 ( 7.011 0.000 2.796) 7.548 26.904 ( -0.602 -0.000 5.261) 5.295 27.006 ( -0.088 -0.000 -3.079) 3.080 27.083 ( 0.923 0.000 -18.294) 18.317 27.169 ( 0.978 0.000 -6.729) 6.800 28.772 ( 5.695 0.000 8.646) 10.354 28.989 ( 8.121 0.000 -4.751) 9.409 29.329 ( -20.812 -0.000 17.578) 27.242 29.842 ( -15.295 -0.000 -2.740) 15.538 ======================= Grid point 197 (96/140) ======================= q-point: ( 0.44 0.33 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 244 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.447 ( -0.116 -1.502 -1.891) 2.418 1.467 ( 7.136 -5.319 -2.694) 9.299 1.886 ( 13.796 3.439 6.488) 15.628 2.075 ( 1.969 -5.405 6.549) 8.717 2.165 ( -10.427 0.140 1.838) 10.589 2.234 ( 1.103 -3.343 1.139) 3.700 2.477 ( -2.504 -9.688 -0.665) 10.029 2.681 ( -3.981 -3.051 -15.598) 16.384 2.778 ( -6.642 0.118 1.511) 6.813 2.993 ( -11.963 -3.802 2.421) 12.784 3.244 ( 3.619 -3.866 -5.285) 7.482 3.311 ( 1.906 0.273 -9.630) 9.820 3.481 ( 4.053 0.541 10.318) 11.099 3.817 ( 4.035 2.266 6.035) 7.605 3.915 ( -4.395 -1.903 9.173) 10.348 4.101 ( 1.801 1.601 -8.410) 8.749 4.276 ( 2.779 -5.932 5.875) 8.800 4.321 ( 0.274 -5.067 6.764) 8.456 4.499 ( -10.328 -4.662 1.508) 11.431 4.783 ( 6.015 -4.923 -15.992) 17.781 5.107 ( 8.117 2.660 1.255) 8.633 5.242 ( 1.921 -2.748 0.291) 3.366 5.577 ( -4.374 0.448 0.064) 4.398 5.651 ( -4.509 -0.407 5.318) 6.984 5.928 ( -2.245 5.877 6.233) 8.856 6.066 ( 2.902 1.049 1.604) 3.478 6.284 ( -0.212 0.178 7.558) 7.563 6.459 ( 7.438 7.045 3.101) 10.704 6.517 ( 1.021 5.499 -0.315) 5.602 6.691 ( 3.038 -0.790 -8.552) 9.110 6.804 ( 2.181 -1.572 -1.029) 2.879 6.924 ( 5.862 -4.347 -2.355) 7.668 7.015 ( 5.140 8.123 -2.000) 9.818 7.222 ( 0.731 4.117 1.541) 4.456 7.362 ( 1.431 0.996 9.177) 9.341 7.391 ( -2.273 -0.913 -0.255) 2.462 7.574 ( -0.267 -6.826 -0.695) 6.867 7.606 ( 2.311 -4.898 2.796) 6.096 7.769 ( 0.705 -0.827 -3.117) 3.301 7.918 ( -5.093 -0.778 -1.589) 5.391 8.048 ( 4.000 -3.445 -12.120) 13.220 8.247 ( -1.496 0.482 -7.421) 7.586 8.571 ( 2.519 3.851 3.712) 5.912 8.997 ( -2.561 6.397 4.335) 8.141 9.137 ( -2.634 1.536 4.795) 5.682 9.307 ( -3.415 -2.194 -7.670) 8.678 9.353 ( -6.355 -1.738 1.296) 6.715 9.737 ( -2.034 -0.528 -7.877) 8.153 10.666 ( -8.146 -0.736 8.232) 11.604 10.934 ( -1.767 0.275 -9.202) 9.374 11.561 ( 2.270 1.971 17.918) 18.168 12.329 ( 4.397 8.793 -6.610) 11.847 12.515 ( -4.795 2.470 7.254) 9.040 12.558 ( 3.755 6.932 -5.869) 9.828 12.757 ( 4.617 -9.960 -1.334) 11.059 13.269 ( -8.426 -3.711 -8.671) 12.647 13.760 ( 4.152 6.307 -2.919) 8.096 13.961 ( 4.147 2.395 -6.559) 8.121 14.540 ( 10.972 3.883 -2.277) 11.860 14.646 ( 4.003 -3.327 -3.343) 6.186 15.188 ( 2.341 0.813 3.614) 4.382 15.329 ( 7.214 -0.925 -5.193) 8.937 15.441 ( -13.531 0.099 5.735) 14.697 15.607 ( -7.939 0.213 -4.747) 9.252 16.272 ( -1.676 0.775 12.155) 12.294 16.325 ( -1.388 -1.633 4.208) 4.723 16.412 ( -2.145 -0.639 12.282) 12.484 16.972 ( 1.315 -0.340 -9.563) 9.659 24.340 ( 0.226 -0.075 0.001) 0.238 24.415 ( -2.465 -0.066 -0.960) 2.646 24.535 ( 1.661 -0.457 1.059) 2.022 24.612 ( -0.789 0.327 0.301) 0.905 25.977 ( -1.408 2.079 1.215) 2.790 26.046 ( 1.627 3.510 1.975) 4.344 26.147 ( 4.082 -1.113 5.535) 6.967 26.660 ( 5.715 -1.130 3.794) 6.952 26.851 ( -1.854 9.433 -5.571) 11.111 26.921 ( -1.354 2.323 3.167) 4.155 27.077 ( -0.032 -7.362 -6.172) 9.607 27.358 ( 0.931 -12.530 -15.230) 19.744 28.837 ( 5.650 -0.465 8.703) 10.386 29.040 ( 8.337 1.217 -4.188) 9.409 29.197 ( -15.074 0.016 15.935) 21.935 29.694 ( -13.118 2.952 -3.895) 13.999 ======================= Grid point 198 (97/140) ======================= q-point: ( 0.56 0.33 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 244 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.502 ( 1.702 -4.295 0.111) 4.621 1.596 ( 0.819 -5.641 -1.526) 5.901 1.888 ( 5.543 4.484 3.806) 8.082 2.033 ( -0.521 4.498 -0.508) 4.556 2.237 ( -6.208 -11.020 7.614) 14.763 2.394 ( -0.694 -9.087 3.171) 9.650 2.636 ( -1.509 -7.685 -1.378) 7.952 2.692 ( -2.260 -4.284 0.840) 4.916 2.748 ( -1.179 -1.395 -3.078) 3.579 2.994 ( -7.518 -4.430 3.737) 9.493 3.263 ( 1.090 0.757 -10.316) 10.401 3.382 ( -0.425 -5.118 -12.959) 13.940 3.513 ( 6.478 1.172 6.452) 9.217 3.769 ( 1.804 6.361 3.723) 7.588 3.956 ( -0.858 -2.601 7.348) 7.842 4.073 ( 3.737 3.159 -3.843) 6.222 4.423 ( 1.929 -9.229 2.587) 9.777 4.474 ( -4.721 -13.237 10.704) 17.666 4.571 ( -5.180 -10.658 -0.192) 11.852 4.919 ( 4.618 -6.834 -12.930) 15.337 5.125 ( 3.421 2.481 3.190) 5.295 5.262 ( 0.814 -0.057 -1.275) 1.514 5.594 ( -0.626 -3.993 4.527) 6.068 5.627 ( -2.799 -0.065 3.362) 4.375 5.810 ( -2.789 5.168 5.363) 7.952 6.041 ( 0.775 3.942 1.751) 4.382 6.246 ( 1.090 4.959 4.355) 6.690 6.377 ( 0.835 9.626 1.200) 9.736 6.456 ( 5.553 1.542 1.059) 5.860 6.652 ( -0.263 4.088 -5.304) 6.702 6.809 ( 2.647 5.241 -0.134) 5.873 6.947 ( 1.345 -0.329 -2.233) 2.628 7.003 ( 0.320 -0.058 -3.258) 3.275 7.146 ( -1.856 3.969 2.473) 5.032 7.312 ( -4.256 -0.086 9.059) 10.009 7.473 ( 7.921 -0.839 2.250) 8.276 7.680 ( -0.176 -5.385 -0.763) 5.441 7.696 ( -0.696 -4.403 1.650) 4.753 7.757 ( -5.718 -0.770 -6.270) 8.521 7.910 ( -0.615 -1.747 -5.546) 5.847 8.157 ( 7.680 -3.468 -6.743) 10.792 8.243 ( 0.774 -1.792 -3.554) 4.055 8.524 ( 2.422 3.869 2.363) 5.140 8.810 ( -7.323 8.059 -0.881) 10.925 9.104 ( -2.550 2.422 5.274) 6.339 9.283 ( 2.859 0.599 -4.885) 5.692 9.429 ( 1.766 -4.792 -2.150) 5.541 9.695 ( -4.119 1.500 -6.915) 8.187 10.638 ( -5.902 -1.694 7.831) 9.951 10.915 ( -0.555 -0.514 -6.296) 6.341 11.554 ( 1.245 2.501 15.387) 15.639 12.210 ( 4.054 7.647 -7.761) 11.625 12.408 ( -3.434 6.001 4.001) 7.989 12.440 ( 0.593 8.191 1.647) 8.376 12.960 ( 4.957 -9.075 -4.086) 11.119 13.243 ( -7.119 -1.380 -11.291) 13.419 13.697 ( 3.046 3.701 1.146) 4.929 13.938 ( 3.486 2.095 -9.260) 10.114 14.550 ( 11.600 5.084 -1.639) 12.770 14.672 ( -4.612 0.322 -2.275) 5.153 15.176 ( 2.945 2.821 2.275) 4.670 15.354 ( -12.015 -1.549 3.967) 12.748 15.407 ( 7.539 -0.026 -2.777) 8.035 15.550 ( -5.818 -2.024 -4.161) 7.434 16.259 ( -1.235 0.911 11.359) 11.462 16.363 ( 0.207 -2.166 6.928) 7.262 16.436 ( -1.238 -2.051 10.534) 10.803 16.967 ( 0.671 0.682 -9.578) 9.626 24.350 ( 1.114 -0.391 0.095) 1.184 24.396 ( -2.250 -0.110 -0.816) 2.396 24.560 ( 1.785 -0.613 0.762) 2.035 24.598 ( -1.304 0.323 0.377) 1.395 25.935 ( -0.024 2.040 0.893) 2.227 25.991 ( -0.625 3.168 0.319) 3.245 26.188 ( 3.961 1.018 6.181) 7.412 26.604 ( -0.056 11.273 -8.423) 14.072 26.760 ( -0.322 -3.044 9.112) 9.612 26.930 ( -1.279 -1.575 10.946) 11.132 27.216 ( 0.983 -8.923 -11.350) 14.471 27.540 ( 0.320 -9.809 -17.841) 20.362 28.869 ( 0.842 1.315 7.841) 7.995 29.050 ( 3.853 3.381 -2.312) 5.624 29.174 ( -2.304 -4.351 11.423) 12.439 29.546 ( -8.277 3.111 -3.211) 9.407 ======================= Grid point 199 (98/140) ======================= q-point: (-0.33 -0.67 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 244 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.588 ( 1.967 -2.244 3.580) 4.661 1.674 ( -3.537 -4.757 -0.598) 5.958 1.865 ( 0.196 0.984 3.256) 3.407 2.001 ( 6.891 0.936 -3.724) 7.889 2.346 ( -4.363 -4.050 7.778) 9.794 2.513 ( -5.336 -6.828 2.305) 8.966 2.652 ( -7.433 -3.773 0.613) 8.358 2.786 ( -0.187 -4.409 -5.732) 7.234 2.850 ( 5.531 -4.861 9.018) 11.643 3.030 ( -3.325 -3.476 5.687) 7.449 3.240 ( -0.726 0.346 -8.571) 8.609 3.383 ( 0.783 0.936 -2.391) 2.685 3.565 ( 4.953 5.135 -2.120) 7.443 3.699 ( 1.546 -2.182 -3.230) 4.194 3.930 ( -5.698 2.289 2.859) 6.773 4.068 ( 6.184 2.355 -0.598) 6.644 4.592 ( 4.372 -5.620 2.939) 7.704 4.707 ( -8.043 -11.518 -0.231) 14.050 4.788 ( 1.024 -19.486 5.271) 20.212 5.027 ( 0.948 -3.038 -5.105) 6.015 5.075 ( -3.365 1.651 5.017) 6.263 5.295 ( 4.027 -1.100 -2.946) 5.109 5.607 ( -1.406 0.020 3.294) 3.581 5.696 ( 1.799 -4.263 0.585) 4.664 5.745 ( -2.530 -0.173 8.568) 8.935 5.944 ( 0.282 7.439 4.893) 8.908 6.154 ( -2.739 7.136 0.287) 7.649 6.209 ( -0.086 7.164 -0.734) 7.203 6.465 ( 2.193 2.427 -2.292) 3.994 6.582 ( 3.385 3.687 -5.507) 7.442 6.724 ( 4.307 6.187 3.550) 8.332 6.957 ( -2.060 -0.101 1.089) 2.332 6.969 ( -2.759 0.898 -6.600) 7.209 7.074 ( -3.657 1.499 1.406) 4.195 7.326 ( 1.505 -1.218 7.782) 8.019 7.518 ( 4.809 2.041 4.006) 6.583 7.690 ( -9.863 -1.797 -6.016) 11.692 7.744 ( 2.682 -0.674 -4.461) 5.249 7.778 ( -2.098 -5.313 2.105) 6.088 7.946 ( 2.046 -0.911 -3.779) 4.393 8.236 ( 5.776 -0.174 -0.245) 5.784 8.301 ( 0.569 -2.736 -3.261) 4.294 8.478 ( -1.080 2.316 0.963) 2.731 8.661 ( -0.657 3.725 -3.019) 4.840 9.029 ( -3.433 3.707 1.937) 5.411 9.297 ( 6.914 2.391 -7.102) 10.196 9.518 ( 0.973 -4.249 -0.030) 4.359 9.627 ( -2.448 1.197 -4.661) 5.399 10.651 ( -5.434 -3.681 8.300) 10.581 10.941 ( 3.046 -2.259 -3.691) 5.292 11.533 ( -0.790 1.833 11.658) 11.828 12.107 ( 2.380 6.188 -12.106) 13.803 12.274 ( -7.351 6.055 6.559) 11.563 12.309 ( 4.730 7.533 4.048) 9.773 13.122 ( 5.299 -3.385 -5.591) 8.414 13.205 ( -3.005 -3.019 -10.763) 11.575 13.676 ( -1.592 0.016 2.017) 2.570 13.927 ( 3.146 1.178 -10.002) 10.551 14.519 ( -1.959 5.897 0.243) 6.219 14.585 ( 3.023 4.720 -3.597) 6.660 15.150 ( 3.708 3.666 2.751) 5.895 15.295 ( -8.571 -0.506 -2.863) 9.050 15.431 ( 0.664 -0.963 3.510) 3.700 15.608 ( 1.391 -5.642 -3.382) 6.724 16.246 ( -1.541 0.827 11.787) 11.916 16.402 ( 0.036 -0.449 14.039) 14.046 16.494 ( 0.215 -4.363 2.278) 4.926 16.935 ( 0.137 2.158 -8.724) 8.988 24.368 ( -0.271 -0.714 0.211) 0.792 24.384 ( 0.225 -0.088 -0.628) 0.673 24.582 ( 0.335 0.153 0.431) 0.567 24.585 ( -0.242 -0.637 0.251) 0.727 25.911 ( 1.088 1.298 0.639) 1.810 25.932 ( -1.546 2.561 -0.024) 2.992 26.194 ( 2.255 1.637 4.653) 5.424 26.411 ( -2.415 7.986 -5.519) 10.004 26.824 ( -0.310 -2.719 11.280) 11.607 26.957 ( -1.746 -0.874 14.167) 14.300 27.364 ( 2.674 -7.771 -15.195) 17.275 27.659 ( 0.464 -6.039 -19.620) 20.533 28.840 ( -1.934 1.603 6.279) 6.763 28.993 ( 0.925 4.750 -1.405) 5.039 29.297 ( 3.548 -6.740 7.236) 10.506 29.460 ( -3.465 1.065 -0.300) 3.638 ======================= Grid point 200 (99/140) ======================= q-point: (-0.22 0.33 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 244 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.606 ( 1.437 1.578 4.457) 4.941 1.698 ( -3.448 -0.760 -1.096) 3.698 1.864 ( -2.982 -1.779 1.285) 3.703 2.080 ( 6.488 -2.429 -2.655) 7.419 2.338 ( 2.331 4.112 6.230) 7.820 2.559 ( -0.749 -2.592 -1.212) 2.958 2.688 ( -4.082 -3.562 7.448) 9.210 2.853 ( -2.670 -2.128 3.958) 5.227 2.891 ( -0.554 -0.255 0.733) 0.954 3.078 ( -2.856 -4.470 0.485) 5.326 3.245 ( -4.103 -3.747 -4.040) 6.870 3.380 ( 5.146 8.486 -6.176) 11.689 3.474 ( 4.300 -0.295 4.620) 6.319 3.753 ( -1.804 1.117 -4.722) 5.177 3.906 ( -2.415 -6.045 0.412) 6.523 4.063 ( 3.647 2.731 3.151) 5.540 4.656 ( 3.437 3.465 4.479) 6.624 4.775 ( -3.021 -3.011 -4.887) 6.486 5.004 ( -0.210 4.899 3.221) 5.866 5.065 ( -0.561 -0.777 3.852) 3.969 5.111 ( -3.645 -13.807 1.872) 14.402 5.370 ( 3.403 -5.892 -1.278) 6.923 5.604 ( -0.786 0.018 2.704) 2.816 5.700 ( -3.200 2.698 2.323) 4.787 5.791 ( 0.074 -1.093 2.286) 2.535 5.860 ( 0.959 1.642 5.079) 5.423 6.004 ( -2.451 3.317 0.727) 4.188 6.100 ( -3.531 5.611 -1.523) 6.802 6.413 ( 0.830 3.432 -4.485) 5.708 6.535 ( 5.764 5.693 -5.379) 9.725 6.721 ( 5.188 -1.254 1.626) 5.579 6.907 ( -2.171 2.565 3.360) 4.752 6.946 ( 0.627 1.254 -6.546) 6.694 7.058 ( -2.493 -2.542 2.696) 4.466 7.363 ( -1.371 -0.584 5.305) 5.511 7.503 ( 2.376 3.014 4.383) 5.826 7.668 ( -4.219 -4.504 -7.429) 9.658 7.776 ( 5.462 0.244 -3.465) 6.473 7.837 ( -2.230 -3.025 -1.007) 3.891 7.920 ( -2.150 3.530 -2.046) 4.612 8.266 ( 4.867 2.024 2.821) 5.978 8.310 ( -5.105 -2.324 0.153) 5.611 8.437 ( -3.810 0.643 -1.362) 4.097 8.668 ( 7.248 -0.736 -2.702) 7.771 8.935 ( -3.609 3.287 0.631) 4.922 9.273 ( 4.724 4.258 -9.051) 11.062 9.589 ( -4.637 -6.324 -1.455) 7.976 9.649 ( 5.399 -2.009 0.205) 5.764 10.693 ( -6.637 -5.594 8.524) 12.165 11.028 ( 6.915 -2.674 -0.036) 7.414 11.509 ( -2.722 0.079 5.608) 6.234 11.987 ( 1.786 7.881 -12.848) 15.178 12.133 ( -7.953 2.919 4.712) 9.693 12.277 ( 5.892 1.825 6.988) 9.321 13.126 ( 2.515 2.209 -2.951) 4.462 13.306 ( 1.811 -6.840 -13.036) 14.832 13.664 ( -3.955 -0.837 1.351) 4.263 13.914 ( 2.797 2.011 -8.653) 9.313 14.334 ( -11.499 6.540 -0.782) 13.252 14.566 ( 12.745 5.829 -3.376) 14.415 15.120 ( 2.585 2.592 2.692) 4.543 15.226 ( -4.638 1.537 -5.323) 7.225 15.487 ( -1.256 -4.583 6.977) 8.442 15.717 ( 1.104 -5.616 -3.136) 6.526 16.230 ( -2.123 0.954 13.001) 13.208 16.414 ( -1.403 0.136 16.608) 16.668 16.581 ( 1.212 -4.214 -3.039) 5.335 16.883 ( 0.189 2.357 -6.738) 7.141 24.361 ( -2.482 -0.381 -0.054) 2.512 24.409 ( 3.271 -0.408 -0.113) 3.298 24.572 ( -1.822 -0.218 0.263) 1.854 24.604 ( 1.359 -0.313 -0.022) 1.395 25.876 ( -2.389 1.602 -0.029) 2.877 25.910 ( 2.528 0.984 0.373) 2.738 26.184 ( 0.539 1.192 3.010) 3.282 26.287 ( -1.759 3.668 -3.050) 5.085 26.871 ( -1.168 -1.788 12.785) 12.963 26.959 ( -2.270 0.766 14.978) 15.168 27.475 ( 3.075 -3.815 -16.360) 17.078 27.717 ( 1.995 -2.485 -21.687) 21.920 28.811 ( -1.031 0.845 3.843) 4.068 28.907 ( -0.055 5.054 -0.448) 5.074 29.422 ( 0.722 -1.362 5.127) 5.354 29.484 ( -0.150 -8.180 2.814) 8.652 ======================= Grid point 201 (100/140) ======================= q-point: (-0.11 0.33 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 244 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.582 ( 2.394 3.429 2.940) 5.112 1.635 ( -1.414 4.807 -2.557) 5.625 1.876 ( -7.755 -3.250 2.872) 8.885 2.118 ( 0.061 1.766 2.259) 2.868 2.283 ( 10.245 7.978 1.140) 13.035 2.604 ( 4.521 1.888 5.587) 7.431 2.661 ( 1.717 3.648 5.040) 6.454 2.861 ( -4.767 -6.226 0.295) 7.847 2.962 ( 1.451 -4.379 -1.915) 4.995 3.136 ( -5.775 -5.454 -1.353) 8.057 3.177 ( -0.670 7.500 -7.794) 10.837 3.291 ( -4.056 0.373 5.519) 6.859 3.577 ( 5.188 -2.969 -0.829) 6.035 3.700 ( -1.234 0.712 -3.767) 4.028 3.997 ( 0.762 -1.170 4.512) 4.724 4.056 ( -2.709 -2.451 5.555) 6.648 4.551 ( -0.508 8.212 -0.978) 8.286 4.776 ( 5.197 5.279 -4.058) 8.447 4.857 ( -0.161 10.218 11.155) 15.128 5.049 ( -1.959 2.479 5.889) 6.683 5.231 ( 1.030 -2.574 -4.177) 5.013 5.479 ( 0.412 1.688 -9.470) 9.628 5.579 ( -0.299 6.100 2.594) 6.636 5.598 ( -1.143 -2.503 5.889) 6.500 5.830 ( -4.663 -4.807 1.845) 6.947 5.842 ( -2.258 0.245 1.172) 2.556 5.979 ( -2.775 1.889 2.601) 4.247 6.055 ( 2.796 -5.079 -0.395) 5.811 6.366 ( -1.405 0.624 -5.186) 5.409 6.491 ( 6.367 3.806 -6.342) 9.759 6.803 ( 5.512 -1.552 1.137) 5.838 6.832 ( -1.517 4.462 5.491) 7.236 6.947 ( 4.697 0.628 -2.336) 5.283 7.104 ( -1.197 -3.334 1.316) 3.779 7.319 ( -5.040 2.259 3.203) 6.385 7.477 ( -1.146 0.715 7.262) 7.387 7.735 ( 1.999 8.659 -2.842) 9.330 7.755 ( 6.056 -2.555 -8.801) 10.985 7.835 ( -0.454 0.999 -1.291) 1.694 7.911 ( -0.914 -7.655 -8.216) 11.266 8.251 ( -2.265 -0.018 1.183) 2.555 8.344 ( -1.235 -2.122 8.968) 9.298 8.372 ( -5.933 1.123 -5.572) 8.217 8.741 ( 6.433 -0.347 1.501) 6.615 8.900 ( -1.678 -2.536 -1.969) 3.622 9.239 ( 2.934 1.060 -8.264) 8.833 9.656 ( -5.427 -5.050 -2.646) 7.872 9.738 ( 3.353 -3.684 1.771) 5.287 10.758 ( -7.652 -7.071 8.204) 13.261 11.110 ( 5.668 0.071 6.804) 8.856 11.507 ( -3.319 -1.767 -4.398) 5.787 11.872 ( 5.278 4.965 -10.317) 12.607 12.066 ( -6.494 -1.382 4.203) 7.858 12.344 ( 4.531 -3.272 7.640) 9.466 13.102 ( 2.292 2.986 0.698) 3.828 13.406 ( -1.243 -6.356 -16.203) 17.450 13.645 ( -1.262 0.722 0.088) 1.456 13.878 ( 2.535 3.714 -6.912) 8.246 14.151 ( -7.720 4.374 -1.374) 8.979 14.566 ( 13.653 5.724 -4.233) 15.398 15.116 ( 2.849 0.624 2.263) 3.691 15.166 ( -2.492 1.266 -4.540) 5.332 15.568 ( -2.428 -4.963 8.060) 9.771 15.802 ( -1.883 -4.758 -3.686) 6.306 16.212 ( -1.862 0.973 14.766) 14.915 16.420 ( -2.757 -0.622 16.274) 16.518 16.618 ( -1.012 0.337 -5.672) 5.772 16.868 ( 1.944 -1.045 -4.489) 5.002 24.349 ( -2.047 -0.391 -0.062) 2.085 24.441 ( 3.400 -0.223 0.056) 3.408 24.559 ( -2.547 -0.181 -0.062) 2.554 24.616 ( 1.040 0.001 0.080) 1.043 25.839 ( -1.479 0.698 0.078) 1.637 25.915 ( 2.427 0.891 0.387) 2.615 26.171 ( -0.680 0.516 1.754) 1.951 26.254 ( 0.917 -0.711 -1.539) 1.927 26.890 ( -2.691 0.118 14.150) 14.404 26.936 ( -1.632 1.275 12.874) 13.039 27.491 ( 1.547 2.081 -15.513) 15.728 27.734 ( 4.307 0.708 -23.169) 23.577 28.805 ( 0.297 0.033 1.037) 1.079 28.826 ( 0.997 4.454 1.287) 4.742 29.447 ( -3.963 -2.934 9.163) 10.406 29.653 ( -1.567 -10.511 0.706) 10.650 ======================= Grid point 206 (101/140) ======================= q-point: ( 0.44 0.44 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.416 ( -2.917 -0.000 -0.419) 2.947 1.494 ( 9.018 0.000 -5.095) 10.358 1.991 ( 0.283 0.000 6.508) 6.514 2.002 ( -4.636 -0.000 6.111) 7.670 2.193 ( 3.035 0.000 -3.056) 4.307 2.200 ( 2.710 0.000 2.219) 3.502 2.339 ( 0.406 0.000 -2.080) 2.119 2.598 ( -5.682 -0.000 -11.491) 12.819 2.762 ( -1.360 -0.000 6.611) 6.749 2.841 ( -13.188 -0.000 -2.143) 13.361 3.229 ( 3.799 0.000 -12.003) 12.590 3.304 ( -0.676 -0.000 -12.159) 12.177 3.546 ( 6.725 0.000 14.337) 15.836 3.846 ( -6.393 -0.000 9.185) 11.191 3.884 ( 5.824 0.000 0.784) 5.876 4.133 ( 3.672 0.000 -7.831) 8.649 4.234 ( -12.168 -0.000 15.588) 19.775 4.270 ( 4.773 0.000 6.556) 8.109 4.419 ( -2.041 -0.000 -1.153) 2.344 4.761 ( 4.046 0.000 -11.721) 12.400 5.211 ( 7.043 0.000 -2.077) 7.343 5.212 ( 1.317 0.000 0.516) 1.414 5.554 ( -4.079 -0.000 0.436) 4.103 5.607 ( -4.665 -0.000 4.887) 6.756 5.988 ( -1.413 -0.000 8.844) 8.956 6.097 ( 1.235 0.000 3.648) 3.851 6.277 ( -1.132 -0.000 7.645) 7.728 6.563 ( -0.894 -0.000 -2.410) 2.570 6.575 ( 2.552 0.000 1.992) 3.237 6.700 ( 5.118 0.000 -10.976) 12.111 6.836 ( 5.894 0.000 1.345) 6.046 6.911 ( 3.629 0.000 -1.460) 3.911 7.133 ( 4.410 0.000 -4.752) 6.483 7.286 ( -7.659 -0.000 -1.985) 7.912 7.313 ( -0.514 -0.000 1.897) 1.965 7.418 ( -0.011 -0.000 9.247) 9.247 7.475 ( 1.983 0.000 5.458) 5.807 7.594 ( 2.149 0.000 4.527) 5.011 7.753 ( -3.697 -0.000 -5.528) 6.650 7.918 ( 5.575 0.000 -5.234) 7.647 8.011 ( 2.004 0.000 -13.327) 13.477 8.230 ( -0.764 -0.000 -11.260) 11.286 8.644 ( 3.517 0.000 9.303) 9.946 9.095 ( -6.654 -0.000 4.611) 8.095 9.103 ( 2.087 0.000 12.092) 12.270 9.210 ( -9.312 -0.000 -8.100) 12.342 9.296 ( 0.620 0.000 -2.274) 2.357 9.717 ( -0.225 -0.000 -11.118) 11.120 10.607 ( -6.769 -0.000 8.204) 10.636 10.928 ( 1.169 0.000 -10.078) 10.146 11.614 ( 1.025 0.000 19.513) 19.540 12.443 ( 1.665 0.000 -8.902) 9.056 12.522 ( -3.414 -0.000 7.263) 8.026 12.644 ( 1.116 0.000 -0.311) 1.159 12.683 ( 8.590 0.000 -7.369) 11.317 13.150 ( -9.223 -0.000 -7.009) 11.584 13.853 ( 4.301 0.000 -3.350) 5.452 14.006 ( 3.223 0.000 -7.591) 8.246 14.608 ( 1.140 0.000 -1.314) 1.740 14.674 ( 8.253 0.000 -2.808) 8.718 15.212 ( -0.243 -0.000 6.295) 6.299 15.340 ( -11.649 -0.000 5.167) 12.743 15.372 ( 8.111 0.000 -6.825) 10.600 15.545 ( -7.205 -0.000 -4.494) 8.492 16.284 ( -0.452 -0.000 10.290) 10.299 16.306 ( -0.647 -0.000 4.179) 4.229 16.408 ( -1.344 -0.000 13.849) 13.914 16.966 ( 1.105 0.000 -10.460) 10.518 24.342 ( 0.593 0.000 0.197) 0.625 24.395 ( -2.112 -0.000 -1.136) 2.398 24.545 ( 1.765 0.000 1.452) 2.286 24.609 ( -0.997 -0.000 -0.119) 1.004 25.978 ( -2.771 -0.000 2.238) 3.562 26.097 ( 0.311 0.000 -3.654) 3.667 26.182 ( 6.297 0.000 12.941) 14.392 26.686 ( 3.616 0.000 4.849) 6.049 26.908 ( -0.199 -0.000 3.886) 3.891 26.980 ( -1.925 -0.000 -4.875) 5.241 27.026 ( -2.503 -0.000 -19.740) 19.898 27.174 ( 1.506 0.000 -6.276) 6.455 28.890 ( 4.521 0.000 10.035) 11.006 29.105 ( -10.413 -0.000 16.120) 19.191 29.113 ( 7.690 0.000 -4.176) 8.751 29.616 ( -10.408 -0.000 -5.576) 11.808 ======================= Grid point 207 (102/140) ======================= q-point: (-0.44 -0.56 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 244 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.429 ( -1.281 -4.180 -0.085) 4.373 1.552 ( 3.112 -1.264 -4.770) 5.834 1.962 ( -11.648 -0.508 10.500) 15.690 2.021 ( -4.000 -4.131 3.296) 6.628 2.124 ( 9.634 2.081 -0.628) 9.877 2.289 ( 0.063 -0.946 -0.322) 1.001 2.457 ( -3.628 -8.320 -3.337) 9.670 2.600 ( 1.842 -6.100 -5.729) 8.569 2.739 ( -0.054 -0.489 5.001) 5.025 2.838 ( -5.499 -5.575 1.198) 7.922 3.261 ( 1.683 -0.522 -11.444) 11.579 3.295 ( 0.841 -2.239 -14.470) 14.666 3.592 ( 2.718 1.120 9.846) 10.276 3.857 ( 0.431 -2.141 8.167) 8.454 3.914 ( 2.995 0.707 -0.874) 3.199 4.136 ( -0.009 0.017 0.907) 0.907 4.212 ( -11.919 -5.760 12.636) 18.301 4.329 ( 2.105 -3.458 3.323) 5.238 4.445 ( 3.176 -3.689 -1.275) 5.032 4.826 ( 2.789 -5.415 -10.479) 12.121 5.215 ( 4.085 3.276 -1.352) 5.408 5.245 ( -1.001 -1.795 -0.844) 2.222 5.536 ( -0.941 -1.761 4.931) 5.320 5.598 ( -3.691 -1.324 3.343) 5.153 5.919 ( -0.412 6.783 7.298) 9.972 6.085 ( -0.563 1.818 2.095) 2.831 6.291 ( -1.395 -0.073 7.005) 7.143 6.491 ( -3.464 5.686 0.248) 6.663 6.554 ( 2.865 2.869 1.549) 4.341 6.712 ( 1.822 1.819 -9.214) 9.567 6.866 ( 5.466 1.678 0.523) 5.742 6.961 ( 0.232 -1.897 -6.168) 6.457 7.072 ( -0.030 6.599 1.490) 6.765 7.218 ( 0.022 5.513 -0.062) 5.513 7.261 ( -5.824 -2.068 6.637) 9.069 7.485 ( 4.015 -4.022 3.747) 6.807 7.575 ( -0.475 -5.652 3.004) 6.418 7.625 ( -2.023 -2.885 5.427) 6.471 7.699 ( -5.871 0.796 -5.959) 8.403 7.916 ( 5.422 1.815 -10.335) 11.811 8.117 ( 7.256 -6.708 -10.412) 14.355 8.214 ( -0.436 -0.374 -9.946) 9.962 8.638 ( 2.941 4.680 9.841) 11.287 8.928 ( -2.949 10.065 0.734) 10.514 9.089 ( -6.791 0.215 5.581) 8.792 9.245 ( -0.713 -5.118 -0.153) 5.169 9.379 ( 6.900 -4.795 -1.919) 8.619 9.690 ( -0.897 1.304 -11.403) 11.513 10.576 ( -5.167 -0.794 8.021) 9.574 10.926 ( 3.225 0.746 -8.466) 9.090 11.621 ( -0.269 2.069 18.635) 18.752 12.369 ( 2.512 7.556 -9.589) 12.464 12.456 ( -4.186 3.942 5.094) 7.682 12.589 ( 1.348 6.128 0.321) 6.283 12.841 ( 6.551 -8.646 -4.771) 11.850 13.112 ( -8.357 -4.054 -7.561) 11.977 13.825 ( 4.237 6.069 -2.017) 7.671 13.992 ( 2.071 2.383 -9.737) 10.236 14.609 ( -3.856 -0.323 -0.048) 3.870 14.706 ( 5.488 1.768 -3.692) 6.846 15.189 ( -8.817 -1.460 6.617) 11.121 15.286 ( -0.647 1.688 3.830) 4.235 15.452 ( 9.112 -1.757 -4.636) 10.374 15.480 ( -6.680 0.309 -4.092) 7.840 16.282 ( -0.002 1.100 8.506) 8.577 16.335 ( 1.531 -2.211 4.630) 5.354 16.421 ( -0.859 -0.573 14.794) 14.830 16.963 ( 0.418 -0.143 -10.679) 10.688 24.351 ( 0.869 -0.214 0.391) 0.977 24.380 ( -1.371 -0.124 -1.109) 1.768 24.565 ( 1.690 -0.383 1.325) 2.181 24.595 ( -1.224 0.403 -0.178) 1.301 25.951 ( -2.145 0.800 2.409) 3.323 26.055 ( 0.422 3.876 -1.462) 4.164 26.247 ( 4.716 0.287 10.458) 11.476 26.727 ( -0.293 -1.126 5.758) 5.874 26.792 ( -1.207 11.597 -13.056) 17.504 26.911 ( -1.260 -0.242 6.829) 6.949 27.061 ( -0.102 -7.664 -7.112) 10.456 27.330 ( -0.100 -11.633 -13.723) 17.990 28.892 ( -4.617 1.038 9.572) 10.678 29.099 ( 1.997 0.251 9.550) 9.760 29.154 ( 4.538 -0.615 1.807) 4.923 29.536 ( -3.063 1.861 -5.912) 6.914 ======================= Grid point 208 (103/140) ======================= q-point: (-0.33 -0.56 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 244 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.532 ( 1.330 -6.036 1.539) 6.370 1.581 ( -1.854 -2.663 -3.322) 4.644 1.896 ( -3.011 1.463 7.049) 7.804 2.051 ( 0.335 -1.171 -1.632) 2.037 2.226 ( 2.416 -5.904 3.903) 7.478 2.318 ( -7.900 -6.310 3.875) 10.828 2.509 ( -7.751 -5.898 2.649) 10.093 2.728 ( 3.441 -4.619 -9.493) 11.104 2.827 ( 5.293 -2.888 10.678) 12.262 2.929 ( 0.336 -7.508 1.192) 7.609 3.235 ( -1.367 1.239 -9.426) 9.605 3.335 ( -1.397 -2.513 -7.463) 7.998 3.620 ( 4.246 -1.770 2.554) 5.261 3.805 ( 1.054 7.371 0.228) 7.449 3.930 ( -3.100 1.786 1.186) 3.770 4.145 ( 2.576 1.165 2.494) 3.770 4.320 ( -8.075 -16.840 9.583) 20.991 4.463 ( 0.985 -9.811 1.520) 9.977 4.596 ( 3.987 -9.501 -1.021) 10.354 4.944 ( 1.611 -6.454 -8.599) 10.872 5.118 ( -3.835 5.213 1.080) 6.561 5.307 ( 4.199 -2.340 -3.065) 5.701 5.590 ( -3.480 -1.184 2.683) 4.551 5.615 ( 1.213 -5.093 8.197) 9.726 5.807 ( 1.416 6.572 5.564) 8.727 6.035 ( -1.712 3.470 2.131) 4.417 6.225 ( -4.317 4.932 0.988) 6.628 6.326 ( -5.555 8.925 1.738) 10.655 6.554 ( 4.406 1.615 0.472) 4.716 6.663 ( 2.360 3.564 -5.926) 7.307 6.856 ( 3.128 3.399 0.687) 4.671 6.940 ( -1.722 1.028 -5.821) 6.157 6.980 ( -1.733 3.883 6.741) 7.970 7.100 ( -4.283 4.187 -1.242) 6.117 7.321 ( 2.655 -2.627 5.583) 6.718 7.560 ( 1.044 -1.252 3.246) 3.632 7.598 ( -6.510 0.256 -4.536) 7.938 7.667 ( -4.723 -5.343 -0.892) 7.187 7.694 ( -0.224 -3.851 4.786) 6.147 7.949 ( 5.709 -0.673 -9.785) 11.349 8.222 ( -0.549 -2.186 -5.041) 5.522 8.267 ( 6.134 -4.352 -8.224) 11.145 8.556 ( -0.896 6.090 5.436) 8.212 8.774 ( 4.970 7.498 -1.285) 9.086 9.035 ( -5.380 1.152 2.745) 6.148 9.322 ( 1.301 -3.629 -2.754) 4.738 9.489 ( 4.077 -0.591 -1.073) 4.257 9.648 ( 2.524 1.338 -7.793) 8.300 10.570 ( -4.238 -1.655 8.205) 9.382 10.949 ( 5.932 -0.664 -5.560) 8.157 11.584 ( -1.991 3.174 15.692) 16.133 12.227 ( 0.497 8.227 -11.862) 14.444 12.342 ( -4.512 5.782 4.402) 8.554 12.480 ( 2.233 7.693 5.146) 9.521 13.040 ( 5.778 -8.737 -6.944) 12.567 13.119 ( -4.831 -3.562 -6.881) 9.131 13.731 ( 0.935 6.263 -0.490) 6.351 13.959 ( 2.112 1.591 -11.097) 11.408 14.520 ( -11.062 3.549 -0.158) 11.618 14.713 ( 6.059 2.164 -3.683) 7.413 15.166 ( -10.148 -3.512 3.100) 11.177 15.257 ( 4.387 3.865 4.527) 7.394 15.426 ( -3.909 -0.011 -1.788) 4.299 15.561 ( 7.785 -3.056 -3.099) 8.919 16.268 ( -0.611 1.353 9.061) 9.182 16.408 ( 3.647 -2.357 6.628) 7.923 16.443 ( -1.098 -1.389 11.879) 12.010 16.947 ( -0.409 0.720 -10.118) 10.151 24.352 ( -1.250 -0.002 0.060) 1.252 24.388 ( 1.849 -0.742 -0.567) 2.072 24.573 ( -1.459 0.259 0.316) 1.515 24.591 ( 1.535 -0.341 0.570) 1.672 25.926 ( -1.565 0.773 1.716) 2.448 25.986 ( 0.400 3.882 -0.276) 3.913 26.259 ( 2.440 2.559 7.289) 8.101 26.531 ( -5.576 9.995 -8.932) 14.518 26.796 ( 1.550 -2.056 8.231) 8.625 26.934 ( -1.516 -1.785 11.810) 12.040 27.214 ( 2.319 -9.706 -12.498) 15.994 27.497 ( -0.622 -9.724 -16.661) 19.302 28.840 ( -5.606 0.628 7.721) 9.562 29.064 ( -1.400 3.667 -0.706) 3.988 29.255 ( 6.849 -3.709 10.043) 12.709 29.494 ( 4.140 2.976 -3.986) 6.472 ======================= Grid point 209 (104/140) ======================= q-point: (-0.22 -0.56 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 244 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.586 ( -4.751 -3.249 -0.512) 5.778 1.640 ( 1.589 -2.175 3.221) 4.199 1.881 ( 1.428 1.183 1.451) 2.355 2.096 ( 4.907 -1.893 -4.318) 6.805 2.325 ( -0.809 -4.427 7.659) 8.884 2.401 ( -8.643 -10.193 3.719) 13.872 2.569 ( -4.093 -6.066 3.784) 8.238 2.819 ( 4.818 -1.853 1.631) 5.414 2.895 ( -0.793 -2.621 1.209) 2.994 3.029 ( 2.180 -0.768 5.079) 5.580 3.180 ( -3.759 1.247 -7.625) 8.592 3.395 ( 1.454 -6.556 -3.639) 7.638 3.606 ( -0.038 9.296 1.028) 9.353 3.763 ( 4.735 -0.117 -3.176) 5.702 3.840 ( -4.571 0.483 0.784) 4.662 4.137 ( 1.856 2.171 2.924) 4.088 4.575 ( -6.319 -13.207 0.236) 14.642 4.652 ( 1.099 -9.466 3.656) 10.207 4.811 ( 0.464 -13.383 1.177) 13.443 5.009 ( -2.829 -1.237 3.012) 4.314 5.058 ( 1.086 -1.443 -3.467) 3.909 5.364 ( 5.801 -0.310 -4.591) 7.404 5.591 ( -2.420 -1.304 2.633) 3.807 5.729 ( -2.227 -3.757 11.169) 11.992 5.738 ( 3.237 2.152 0.468) 3.915 5.934 ( -2.409 5.450 5.777) 8.299 6.096 ( -3.393 6.493 -4.671) 8.688 6.132 ( -6.413 6.037 -0.034) 8.807 6.526 ( 3.472 5.461 -3.680) 7.444 6.628 ( 2.978 2.515 -5.605) 6.827 6.808 ( 4.564 4.984 3.622) 7.667 6.917 ( -2.344 -0.829 -0.937) 2.657 6.950 ( 0.348 -0.229 3.869) 3.891 7.019 ( -2.927 0.889 -2.431) 3.907 7.366 ( 0.797 0.790 6.545) 6.640 7.530 ( -6.445 0.804 -1.354) 6.635 7.580 ( 0.516 -2.022 0.311) 2.110 7.737 ( -1.235 -5.278 -2.900) 6.147 7.763 ( -2.287 -4.367 3.986) 6.339 7.955 ( 0.845 2.631 -7.518) 8.010 8.261 ( 0.077 -2.293 -0.671) 2.391 8.314 ( 1.243 1.032 -5.732) 5.955 8.469 ( 0.716 4.176 2.984) 5.182 8.743 ( 9.190 2.666 -2.343) 9.852 8.961 ( -4.598 2.960 -0.763) 5.522 9.373 ( 4.258 1.791 -6.601) 8.056 9.463 ( -5.078 -1.641 -3.600) 6.437 9.687 ( 7.800 0.112 0.206) 7.804 10.586 ( -3.556 -2.724 8.371) 9.494 11.038 ( 8.812 -3.096 -2.615) 9.699 11.521 ( -4.019 2.937 11.061) 12.130 12.079 ( -2.319 6.049 -12.362) 13.957 12.191 ( -4.012 7.586 2.409) 8.913 12.394 ( 3.677 5.414 9.099) 11.208 13.121 ( -3.494 -2.799 -6.791) 8.134 13.226 ( 8.460 -5.341 -9.149) 13.558 13.644 ( -2.701 2.408 0.850) 3.717 13.943 ( 1.628 0.766 -10.443) 10.597 14.341 ( -12.043 5.408 -0.826) 13.227 14.717 ( 6.001 2.288 -3.240) 7.194 15.135 ( -8.370 -1.560 -2.053) 8.758 15.232 ( 3.610 3.614 4.498) 6.806 15.429 ( -0.617 -2.359 2.946) 3.824 15.664 ( 5.574 -2.803 -2.395) 6.683 16.247 ( -1.575 1.246 10.597) 10.786 16.434 ( -1.037 0.990 17.537) 17.595 16.522 ( 3.586 -4.328 -1.339) 5.778 16.908 ( -1.064 1.772 -8.559) 8.806 24.340 ( -1.545 -0.032 -0.048) 1.546 24.423 ( 3.062 -0.885 -0.324) 3.204 24.555 ( -1.985 0.099 0.241) 2.002 24.611 ( 1.514 -0.287 0.323) 1.575 25.889 ( -2.336 1.847 0.123) 2.981 25.947 ( 1.777 1.447 0.921) 2.469 26.227 ( 0.299 2.794 4.371) 5.196 26.343 ( -4.146 5.918 -5.140) 8.867 26.848 ( 0.064 -1.830 10.667) 10.823 26.959 ( -2.232 -0.727 14.760) 14.946 27.384 ( 4.299 -7.865 -15.880) 18.234 27.617 ( -0.083 -6.877 -19.095) 20.296 28.807 ( -3.457 -0.147 5.184) 6.233 28.977 ( -2.571 3.949 -0.607) 4.751 29.385 ( 4.293 -4.603 7.406) 9.719 29.477 ( 6.185 3.645 -0.392) 7.190 ======================= Grid point 210 (105/140) ======================= q-point: (-0.11 -0.56 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 244 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.605 ( -3.758 -2.752 0.671) 4.706 1.666 ( 1.337 0.766 2.402) 2.854 1.845 ( 0.253 3.480 -0.694) 3.558 2.138 ( 1.462 0.606 1.359) 2.086 2.422 ( 3.795 -3.241 4.032) 6.416 2.531 ( -2.254 -9.937 -1.066) 10.245 2.663 ( 0.054 -5.826 5.048) 7.709 2.809 ( -3.734 4.703 7.251) 9.415 2.935 ( 5.219 -0.951 -0.218) 5.310 3.049 ( 0.118 -1.259 -0.861) 1.530 3.142 ( -6.381 -2.603 -3.573) 7.762 3.401 ( -0.856 10.116 -0.970) 10.198 3.564 ( 4.492 -5.855 -0.035) 7.380 3.684 ( -4.955 2.697 -1.023) 5.733 3.921 ( 3.438 -3.899 -1.964) 5.557 4.108 ( 0.968 2.844 4.365) 5.299 4.602 ( -6.629 1.588 -3.842) 7.825 4.800 ( 2.045 -5.553 5.787) 8.276 4.993 ( -4.486 -2.535 7.322) 8.953 5.053 ( 2.696 -1.052 2.285) 3.687 5.115 ( 1.683 -7.924 -3.534) 8.838 5.421 ( 3.956 -2.755 -3.018) 5.687 5.582 ( -3.380 1.284 2.336) 4.304 5.671 ( -1.287 2.507 4.788) 5.555 5.774 ( -1.642 0.186 2.517) 3.011 5.869 ( -1.052 3.898 2.215) 4.605 6.002 ( -5.133 2.460 0.581) 5.721 6.014 ( 2.770 0.147 -1.773) 3.292 6.418 ( -1.114 6.236 -6.026) 8.743 6.594 ( 3.402 3.479 -7.399) 8.856 6.823 ( 6.247 -0.975 2.068) 6.652 6.897 ( -0.320 2.597 5.727) 6.296 6.983 ( 4.391 -1.315 -3.187) 5.582 7.024 ( -3.009 -3.315 1.337) 4.672 7.325 ( -2.743 2.472 4.748) 6.015 7.467 ( -6.346 0.645 4.618) 7.875 7.675 ( 3.189 -6.759 -5.207) 9.109 7.797 ( -3.740 -2.485 -1.383) 4.698 7.820 ( -3.083 -3.409 -3.131) 5.561 7.881 ( 5.109 4.326 -2.229) 7.056 8.243 ( -0.806 3.141 -1.829) 3.723 8.316 ( -2.388 -1.600 -5.632) 6.324 8.406 ( 2.034 4.293 7.973) 9.281 8.799 ( 8.151 -0.065 -1.585) 8.304 8.872 ( -3.771 1.930 -2.513) 4.926 9.303 ( 1.313 4.910 -9.057) 10.386 9.514 ( -3.332 -5.950 -2.314) 7.201 9.739 ( 4.421 -0.154 2.290) 4.981 10.628 ( -2.668 -3.844 7.939) 9.216 11.157 ( 7.270 -1.439 3.538) 8.213 11.463 ( -3.511 0.096 1.754) 3.927 11.957 ( -2.182 4.087 -11.478) 12.378 12.056 ( -2.300 4.409 2.316) 5.485 12.371 ( 2.853 1.679 10.482) 10.992 13.131 ( -1.458 -1.144 -4.290) 4.673 13.329 ( 5.187 -1.338 -13.513) 14.536 13.625 ( -0.678 -1.862 1.339) 2.392 13.927 ( 1.021 1.280 -8.472) 8.629 14.164 ( -8.469 4.664 -1.614) 9.802 14.722 ( 6.212 2.359 -2.907) 7.253 15.100 ( -5.647 -1.463 -3.268) 6.686 15.202 ( 3.211 3.026 2.370) 5.008 15.486 ( -0.525 -3.510 5.916) 6.899 15.735 ( 2.048 -2.037 -2.558) 3.859 16.227 ( -1.930 0.855 12.666) 12.841 16.422 ( -2.539 0.881 17.105) 17.315 16.607 ( 3.050 -1.779 -4.268) 5.539 16.864 ( -0.745 0.627 -6.084) 6.162 24.331 ( -1.172 -0.145 -0.071) 1.183 24.462 ( 3.294 -0.596 -0.183) 3.352 24.537 ( -2.481 0.023 0.133) 2.485 24.624 ( 0.994 -0.023 0.151) 1.005 25.844 ( -1.563 1.216 -0.077) 1.982 25.946 ( 1.598 0.727 0.439) 1.809 26.187 ( -0.853 1.737 2.326) 3.026 26.255 ( -1.193 1.285 -2.136) 2.763 26.882 ( -1.184 -0.899 12.668) 12.755 26.956 ( -2.397 0.729 15.073) 15.280 27.490 ( 3.443 -2.342 -16.364) 16.885 27.699 ( 2.073 -4.427 -21.837) 22.377 28.801 ( -1.164 -0.657 2.651) 2.969 28.896 ( -1.360 3.342 0.864) 3.711 29.442 ( 0.840 1.956 3.296) 3.924 29.515 ( 2.549 -4.498 4.507) 6.859 ======================= Grid point 216 (106/140) ======================= q-point: (-0.44 -0.44 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.362 ( -3.181 -0.000 -0.180) 3.186 1.544 ( -2.798 -0.000 -5.795) 6.435 1.877 ( -7.711 -0.000 14.409) 16.342 1.921 ( -6.262 -0.000 4.922) 7.965 2.257 ( -5.834 -0.000 1.230) 5.962 2.285 ( 1.368 0.000 -1.638) 2.134 2.362 ( 8.844 0.000 -10.619) 13.819 2.545 ( 5.265 0.000 -3.241) 6.183 2.683 ( -3.604 -0.000 -8.513) 9.244 2.818 ( 4.996 0.000 12.220) 13.202 3.267 ( 4.738 0.000 -13.278) 14.098 3.269 ( 0.067 0.000 -9.656) 9.656 3.575 ( -11.860 -0.000 13.574) 18.025 3.844 ( 5.173 0.000 5.864) 7.819 3.970 ( 5.348 0.000 -3.663) 6.483 4.031 ( -13.286 -0.000 17.205) 21.738 4.181 ( 3.778 0.000 -6.027) 7.113 4.344 ( 2.417 0.000 5.261) 5.790 4.448 ( 4.051 0.000 -0.720) 4.115 4.773 ( 0.210 0.000 -7.516) 7.519 5.202 ( -2.830 -0.000 0.536) 2.881 5.270 ( 0.459 0.000 -4.848) 4.870 5.531 ( 0.979 0.000 4.015) 4.133 5.549 ( -3.874 -0.000 3.180) 5.012 5.999 ( 0.484 0.000 7.898) 7.912 6.104 ( -0.975 -0.000 6.617) 6.688 6.273 ( -1.538 -0.000 6.904) 7.074 6.516 ( -4.820 -0.000 -1.193) 4.966 6.591 ( 0.240 0.000 -2.518) 2.530 6.721 ( 0.824 0.000 -10.882) 10.914 6.911 ( -2.392 -0.000 -3.325) 4.095 6.951 ( 7.489 0.000 0.948) 7.549 7.127 ( -10.508 -0.000 1.839) 10.668 7.187 ( 0.257 0.000 2.220) 2.235 7.309 ( 3.330 0.000 -0.104) 3.331 7.439 ( -0.960 -0.000 3.576) 3.703 7.533 ( 1.302 0.000 6.683) 6.808 7.559 ( -7.915 -0.000 3.838) 8.797 7.670 ( -3.116 -0.000 -3.499) 4.685 8.035 ( 9.273 0.000 -12.316) 15.417 8.037 ( 5.296 0.000 -10.975) 12.186 8.198 ( 0.201 0.000 -13.639) 13.640 8.715 ( 0.432 0.000 14.308) 14.314 8.997 ( -10.677 -0.000 -3.364) 11.194 9.099 ( 6.738 0.000 7.448) 10.044 9.171 ( 1.123 0.000 4.704) 4.836 9.382 ( 8.528 0.000 -1.704) 8.697 9.689 ( 0.565 0.000 -13.031) 13.043 10.550 ( -2.506 -0.000 7.897) 8.285 10.958 ( 5.230 0.000 -8.785) 10.224 11.653 ( -1.937 -0.000 19.839) 19.933 12.424 ( -1.516 -0.000 -7.588) 7.738 12.495 ( -1.311 -0.000 -4.019) 4.228 12.661 ( 0.308 0.000 9.327) 9.332 12.794 ( 7.227 0.000 -8.844) 11.421 12.997 ( -7.592 -0.000 -4.895) 9.033 13.920 ( 4.719 0.000 -3.465) 5.855 14.012 ( 0.030 0.000 -10.937) 10.937 14.572 ( -5.120 -0.000 1.110) 5.239 14.721 ( -2.961 -0.000 -4.925) 5.746 15.102 ( -8.586 -0.000 6.553) 10.801 15.327 ( 3.372 0.000 6.604) 7.415 15.426 ( -6.021 -0.000 -4.326) 7.414 15.506 ( 9.412 0.000 -3.687) 10.109 16.316 ( 1.305 0.000 6.555) 6.683 16.325 ( 2.093 0.000 4.102) 4.605 16.435 ( 1.217 0.000 15.794) 15.841 16.949 ( -0.158 -0.000 -11.242) 11.243 24.361 ( 1.571 0.000 0.612) 1.686 24.366 ( -1.210 -0.000 -1.080) 1.622 24.577 ( 1.748 0.000 1.452) 2.272 24.588 ( -1.506 -0.000 -0.597) 1.620 25.941 ( -2.631 -0.000 3.539) 4.410 26.100 ( 1.025 0.000 -3.196) 3.356 26.295 ( 3.709 0.000 13.523) 14.022 26.724 ( -0.710 -0.000 3.167) 3.246 26.893 ( -2.770 -0.000 -14.654) 14.913 26.928 ( -2.701 -0.000 -5.621) 6.236 26.942 ( -1.858 -0.000 0.074) 1.859 27.185 ( 1.607 0.000 -6.512) 6.707 28.851 ( -8.837 -0.000 9.604) 13.051 29.149 ( -3.483 -0.000 -3.579) 4.994 29.182 ( 11.970 0.000 16.636) 20.495 29.559 ( 6.484 0.000 -6.850) 9.432 ======================= Grid point 217 (107/140) ======================= q-point: (-0.33 -0.44 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 244 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.415 ( -0.211 -7.268 0.203) 7.274 1.512 ( -6.608 -2.288 -4.302) 8.210 1.845 ( -6.433 -1.805 15.379) 16.768 1.967 ( -3.667 -6.178 4.974) 8.738 2.158 ( -7.619 0.723 0.292) 7.659 2.279 ( -0.610 0.035 -2.154) 2.239 2.413 ( 5.144 0.285 -2.814) 5.871 2.646 ( 2.201 -5.297 -11.698) 13.028 2.785 ( 8.031 -9.511 -2.152) 12.633 2.878 ( 6.060 0.173 9.656) 11.402 3.240 ( -1.275 1.539 -5.368) 5.728 3.302 ( 1.324 -1.020 -6.793) 6.996 3.526 ( -12.035 -6.059 12.588) 18.439 3.867 ( -6.602 1.845 8.273) 10.744 3.976 ( 4.808 2.619 -4.917) 7.359 4.044 ( 1.440 -6.162 6.668) 9.193 4.229 ( 3.973 -1.820 -2.642) 5.106 4.352 ( -0.349 -1.604 2.884) 3.318 4.513 ( 5.111 -3.826 -1.634) 6.590 4.824 ( -0.064 -6.360 -7.411) 9.766 5.170 ( -5.472 3.810 -3.807) 7.678 5.248 ( -2.086 -3.571 0.318) 4.148 5.543 ( -3.471 -1.167 1.895) 4.123 5.571 ( 2.725 -2.621 6.192) 7.255 5.955 ( 2.948 6.021 5.500) 8.671 6.077 ( -0.977 2.765 5.246) 6.009 6.260 ( -4.252 2.234 4.961) 6.905 6.433 ( -3.064 6.267 -1.456) 7.126 6.554 ( -2.732 -0.383 0.191) 2.765 6.701 ( -0.528 1.047 -8.137) 8.221 6.892 ( -3.038 0.988 -3.658) 4.857 6.993 ( 5.863 1.911 -2.528) 6.664 7.007 ( -6.596 2.374 3.622) 7.891 7.147 ( -7.663 4.565 6.166) 10.843 7.318 ( 7.438 -0.503 -3.088) 8.069 7.497 ( -6.106 -4.436 -1.386) 7.674 7.537 ( -2.879 -4.792 5.827) 8.075 7.552 ( -3.847 -0.524 2.265) 4.495 7.655 ( -1.838 -1.366 2.521) 3.406 8.008 ( 8.789 2.400 -10.693) 14.048 8.175 ( 0.199 -2.059 -11.466) 11.651 8.211 ( 5.560 -5.301 -10.899) 13.334 8.658 ( -2.965 6.022 8.917) 11.161 8.924 ( -1.666 1.176 -3.616) 4.152 9.058 ( 4.496 6.990 9.771) 12.827 9.256 ( 3.071 -3.439 0.060) 4.611 9.505 ( 6.881 -3.200 -0.565) 7.610 9.679 ( 4.307 0.110 -10.041) 10.926 10.549 ( -0.239 -0.046 8.059) 8.063 10.992 ( 7.010 0.299 -7.029) 9.931 11.633 ( -3.597 2.316 18.530) 19.017 12.353 ( -1.031 6.291 -15.359) 16.629 12.405 ( -3.297 5.294 1.845) 6.504 12.616 ( 0.766 5.684 9.241) 10.876 12.919 ( 2.028 -7.631 -6.756) 10.392 12.998 ( -1.399 -5.519 -3.267) 6.564 13.869 ( 1.339 7.470 -4.199) 8.673 13.988 ( 1.048 1.347 -11.544) 11.669 14.491 ( -10.021 3.106 0.648) 10.511 14.701 ( -5.851 -2.982 -5.106) 8.318 15.068 ( -4.635 -0.977 5.117) 6.972 15.342 ( 1.183 1.847 5.286) 5.723 15.385 ( -1.978 -0.585 -1.111) 2.343 15.593 ( 9.360 -1.420 -1.936) 9.663 16.304 ( 0.094 1.785 6.332) 6.580 16.387 ( 3.294 -2.939 3.056) 5.369 16.469 ( 3.524 0.783 16.050) 16.451 16.934 ( -0.969 -0.093 -11.091) 11.134 24.350 ( -0.601 0.534 -0.357) 0.880 24.387 ( 1.978 -0.989 0.121) 2.214 24.568 ( -1.628 0.516 -0.350) 1.744 24.597 ( 1.466 -0.434 0.960) 1.806 25.922 ( -2.415 0.304 3.535) 4.292 26.064 ( 1.131 4.067 -1.563) 4.501 26.323 ( 1.405 1.479 10.396) 10.595 26.626 ( -8.903 8.010 -10.735) 16.083 26.807 ( 1.905 1.032 1.851) 2.850 26.910 ( -0.930 -0.812 6.735) 6.847 27.045 ( 0.521 -9.329 -8.089) 12.358 27.297 ( -0.213 -9.793 -11.553) 15.147 28.795 ( -7.663 -0.306 8.155) 11.195 29.084 ( -5.980 1.846 -3.118) 6.992 29.314 ( 13.706 -0.238 15.796) 20.915 29.607 ( 11.939 2.522 -5.579) 13.417 ======================= Grid point 218 (108/140) ======================= q-point: (-0.22 -0.44 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 244 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.495 ( -4.915 -3.184 -1.693) 6.096 1.580 ( 1.294 -7.013 0.568) 7.154 1.870 ( -2.871 -3.476 9.792) 10.780 2.038 ( -0.196 -4.454 -3.871) 5.904 2.166 ( -8.839 -8.437 6.846) 14.007 2.294 ( 0.276 -1.357 2.568) 2.918 2.448 ( 0.387 -2.318 2.120) 3.165 2.763 ( 3.293 -6.975 -6.324) 9.974 2.910 ( 3.589 1.798 7.186) 8.231 3.004 ( 7.004 -7.025 -4.036) 10.709 3.198 ( -1.250 1.948 -2.872) 3.689 3.305 ( -1.306 -1.754 -0.458) 2.234 3.639 ( -3.295 -11.280 7.310) 13.840 3.740 ( -10.129 4.660 8.885) 14.257 3.890 ( 0.247 7.458 -5.726) 9.406 4.176 ( 3.113 -0.209 2.056) 3.737 4.329 ( 4.291 -9.591 -0.325) 10.512 4.457 ( -2.349 -10.560 2.291) 11.058 4.657 ( 3.715 -7.854 -1.820) 8.877 4.945 ( 0.416 -6.112 -3.613) 7.112 5.039 ( -4.361 2.777 -5.567) 7.597 5.334 ( -1.365 -6.727 -2.128) 7.186 5.533 ( -3.175 -0.967 1.617) 3.693 5.661 ( 1.786 -3.975 7.971) 9.085 5.878 ( 5.544 7.031 3.038) 9.455 6.010 ( -2.244 4.479 5.352) 7.331 6.132 ( -5.967 5.841 -1.248) 8.443 6.250 ( -3.775 9.721 -1.059) 10.481 6.576 ( -1.109 -1.134 -1.543) 2.213 6.671 ( -0.253 1.623 -4.266) 4.571 6.840 ( -5.419 -1.625 -0.814) 5.715 6.934 ( -1.178 4.304 1.154) 4.609 6.985 ( 2.097 3.103 5.971) 7.049 7.013 ( -4.546 1.895 -2.216) 5.401 7.396 ( 4.603 -0.972 0.830) 4.777 7.492 ( -6.189 0.373 3.832) 7.289 7.530 ( -4.260 -3.887 -4.492) 7.310 7.613 ( -2.150 -4.173 4.921) 6.802 7.685 ( -2.224 -2.931 2.261) 4.319 8.025 ( 6.549 2.809 -7.818) 10.578 8.205 ( 0.539 -3.590 -7.320) 8.171 8.312 ( 1.707 -2.178 -8.545) 8.982 8.553 ( 0.640 4.067 2.593) 4.866 8.895 ( 5.916 4.335 -3.087) 7.958 8.981 ( -0.501 4.600 5.889) 7.490 9.335 ( 2.381 -3.518 -0.323) 4.260 9.495 ( -0.483 4.459 -8.997) 10.053 9.760 ( 10.038 -0.487 0.075) 10.050 10.566 ( 1.868 -0.143 8.433) 8.639 11.059 ( 8.904 -1.938 -4.543) 10.182 11.562 ( -5.156 3.897 15.005) 16.338 12.172 ( -3.440 8.888 -13.747) 16.728 12.292 ( -2.566 6.144 0.692) 6.694 12.524 ( 0.476 6.039 10.531) 12.149 13.005 ( -3.938 -5.474 -4.581) 8.152 13.168 ( 8.424 -8.664 -5.618) 13.326 13.721 ( -1.431 7.798 -3.799) 8.791 13.955 ( 0.646 1.512 -11.835) 11.948 14.332 ( -11.512 4.449 0.013) 12.342 14.702 ( -6.580 -3.229 -5.244) 9.012 15.059 ( -3.227 -0.624 2.226) 3.970 15.305 ( -2.128 1.609 1.667) 3.146 15.414 ( 4.315 -0.563 5.319) 6.872 15.688 ( 8.333 -1.301 -1.176) 8.515 16.274 ( -1.379 1.834 7.839) 8.168 16.460 ( 0.390 -0.730 9.699) 9.734 16.507 ( 6.371 -0.761 7.575) 9.928 16.907 ( -1.649 0.678 -9.812) 9.973 24.336 ( -0.497 0.491 -0.090) 0.705 24.426 ( 2.793 -1.300 -0.103) 3.083 24.545 ( -1.985 0.459 -0.079) 2.039 24.617 ( 1.343 -0.412 0.550) 1.509 25.897 ( -2.492 0.987 1.889) 3.280 26.001 ( 1.147 3.417 0.436) 3.631 26.287 ( -1.052 3.455 5.370) 6.471 26.405 ( -7.315 6.879 -7.392) 12.469 26.835 ( 1.040 -1.279 7.595) 7.772 26.935 ( -1.873 -1.627 12.194) 12.444 27.237 ( 4.498 -11.014 -14.142) 18.481 27.447 ( -0.991 -9.382 -15.236) 17.920 28.764 ( -5.387 -1.185 5.974) 8.131 28.997 ( -5.486 2.257 -2.177) 6.319 29.422 ( 10.463 1.085 12.771) 16.545 29.636 ( 12.881 5.291 -3.113) 14.269 ======================= Grid point 219 (109/140) ======================= q-point: (-0.11 -0.44 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 244 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.513 ( -3.508 -3.166 -1.581) 4.983 1.668 ( 0.460 -2.512 1.392) 2.908 1.909 ( 1.055 0.409 2.639) 2.872 2.132 ( 1.084 -4.092 -2.129) 4.738 2.282 ( -6.394 -9.770 6.770) 13.497 2.341 ( -0.312 -6.010 3.355) 6.890 2.528 ( -2.446 -7.731 5.393) 9.738 2.881 ( -0.300 1.937 2.430) 3.122 2.918 ( 5.735 -5.053 -0.080) 7.644 3.094 ( 2.704 0.859 -8.208) 8.685 3.123 ( 1.571 5.241 3.823) 6.675 3.408 ( 0.962 -8.830 -2.375) 9.194 3.559 ( -6.240 6.939 6.790) 11.541 3.739 ( -2.471 7.116 -4.492) 8.770 3.865 ( 2.433 -10.340 3.993) 11.348 4.149 ( -0.305 3.033 2.959) 4.249 4.516 ( -1.379 -6.093 -3.822) 7.324 4.645 ( -3.084 -11.938 8.144) 14.776 4.806 ( -1.152 -8.958 -0.778) 9.065 4.952 ( -5.023 -3.847 5.859) 8.623 5.109 ( 7.001 -4.201 -9.351) 12.414 5.427 ( 1.597 -3.529 -6.111) 7.235 5.538 ( -4.085 -2.255 1.700) 4.966 5.712 ( -1.861 1.125 8.959) 9.219 5.812 ( 5.369 4.982 1.212) 7.424 5.920 ( -0.993 3.010 6.078) 6.855 6.012 ( -4.259 3.480 -3.738) 6.650 6.087 ( 0.371 5.817 -2.048) 6.179 6.506 ( -4.435 6.312 -5.039) 9.214 6.634 ( -0.782 0.804 -6.612) 6.707 6.863 ( -3.931 -4.152 2.224) 6.135 6.878 ( 1.748 0.766 1.771) 2.604 6.968 ( -0.344 1.615 9.350) 9.495 7.002 ( 2.244 -1.283 -4.953) 5.587 7.375 ( -1.318 2.714 4.709) 5.593 7.447 ( -4.108 2.549 4.950) 6.920 7.580 ( -0.558 -4.525 -2.527) 5.212 7.678 ( -5.650 -6.188 -0.714) 8.410 7.727 ( -0.677 -4.080 -0.976) 4.249 7.999 ( 6.382 4.447 -2.847) 8.283 8.256 ( -1.346 -2.354 -8.187) 8.624 8.309 ( 1.779 2.008 -5.085) 5.749 8.513 ( 2.562 4.049 5.563) 7.342 8.866 ( 2.938 2.453 -7.423) 8.351 8.901 ( 0.060 4.358 3.790) 5.776 9.383 ( -2.039 4.894 -9.684) 11.041 9.420 ( 2.745 -3.326 -0.172) 4.316 9.805 ( 5.956 2.564 2.074) 6.808 10.605 ( 3.716 -0.632 8.370) 9.180 11.182 ( 8.868 -3.104 -0.697) 9.422 11.463 ( -5.344 3.237 7.958) 10.117 11.990 ( -5.206 5.811 -10.922) 13.422 12.156 ( -0.673 7.177 -0.812) 7.254 12.451 ( -0.271 4.102 12.051) 12.733 13.053 ( -3.309 -3.783 -3.574) 6.167 13.361 ( 11.118 -3.768 -11.563) 16.477 13.604 ( -1.938 2.122 -0.674) 2.952 13.925 ( -1.048 0.233 -10.458) 10.513 14.174 ( -8.138 4.206 -0.919) 9.207 14.702 ( -7.033 -3.822 -3.973) 8.936 15.043 ( -2.121 -0.055 -0.297) 2.143 15.266 ( -0.851 1.546 0.885) 1.974 15.469 ( 4.285 -0.611 7.166) 8.371 15.756 ( 6.300 0.252 -1.597) 6.505 16.242 ( -2.190 1.186 10.228) 10.527 16.447 ( -1.780 1.972 15.675) 15.899 16.601 ( 6.301 -2.481 -0.897) 6.831 16.861 ( -2.390 1.343 -7.584) 8.064 24.326 ( -0.144 0.285 -0.006) 0.320 24.471 ( 2.955 -1.105 -0.231) 3.163 24.521 ( -2.299 0.293 0.127) 2.321 24.631 ( 0.917 -0.084 0.191) 0.940 25.854 ( -2.071 1.467 0.312) 2.557 25.971 ( 0.605 1.288 0.931) 1.700 26.217 ( -2.149 2.665 0.941) 3.550 26.275 ( -2.924 3.046 -1.391) 4.445 26.872 ( -0.123 -1.160 10.321) 10.386 26.953 ( -2.731 -0.667 14.753) 15.019 27.427 ( 5.648 -6.969 -16.247) 18.559 27.572 ( 0.102 -8.051 -19.147) 20.771 28.764 ( -3.023 -1.957 3.705) 5.167 28.920 ( -3.985 1.957 -0.415) 4.459 29.473 ( 4.648 1.281 8.585) 9.846 29.617 ( 10.083 6.950 0.012) 12.246 ======================= Grid point 226 (110/140) ======================= q-point: (-0.33 -0.33 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.332 ( -0.747 -0.000 0.776) 1.077 1.399 ( -12.091 -0.000 2.006) 12.256 1.818 ( -9.033 -0.000 9.828) 13.348 1.860 ( -0.537 -0.000 15.565) 15.574 2.103 ( -8.621 -0.000 -3.821) 9.430 2.251 ( -2.274 -0.000 -4.922) 5.422 2.539 ( 13.815 0.000 -9.443) 16.734 2.593 ( 3.078 0.000 -11.288) 11.700 2.755 ( 9.892 0.000 -1.720) 10.040 2.954 ( 8.352 0.000 9.538) 12.678 3.205 ( -21.357 -0.000 19.268) 28.764 3.284 ( 4.277 0.000 -3.702) 5.657 3.401 ( -1.564 -0.000 -0.152) 1.572 3.838 ( -6.310 -0.000 7.816) 10.045 4.035 ( 3.747 0.000 -4.057) 5.522 4.040 ( 7.681 0.000 1.574) 7.841 4.213 ( 1.428 0.000 -4.819) 5.026 4.364 ( -1.054 -0.000 3.301) 3.465 4.523 ( 5.763 0.000 -3.477) 6.730 4.741 ( -1.632 -0.000 -7.665) 7.837 5.128 ( -6.121 -0.000 -0.165) 6.124 5.203 ( -6.954 -0.000 -4.034) 8.039 5.499 ( -3.302 -0.000 3.640) 4.914 5.584 ( 3.312 0.000 3.181) 4.592 6.043 ( 3.461 0.000 4.169) 5.419 6.110 ( -0.883 -0.000 10.872) 10.908 6.264 ( -0.956 -0.000 4.514) 4.614 6.405 ( -8.491 -0.000 0.831) 8.532 6.590 ( 0.966 0.000 -5.575) 5.658 6.680 ( -2.535 -0.000 -11.329) 11.609 6.851 ( -3.434 -0.000 -3.278) 4.747 6.976 ( -8.775 -0.000 3.040) 9.286 7.046 ( 2.487 0.000 -2.175) 3.304 7.133 ( -6.901 -0.000 5.314) 8.710 7.363 ( -7.677 -0.000 -5.291) 9.324 7.417 ( 8.499 0.000 -2.584) 8.883 7.450 ( -5.033 -0.000 4.301) 6.620 7.526 ( -4.074 -0.000 7.285) 8.347 7.616 ( -4.073 -0.000 2.548) 4.805 8.117 ( 5.478 0.000 -10.363) 11.722 8.137 ( 6.756 0.000 -9.599) 11.738 8.179 ( 2.909 0.000 -12.290) 12.630 8.719 ( -2.725 -0.000 13.148) 13.428 8.841 ( -7.327 -0.000 -6.617) 9.873 9.212 ( 3.160 0.000 4.230) 5.280 9.314 ( 15.057 0.000 5.531) 16.041 9.519 ( 8.090 0.000 1.332) 8.199 9.702 ( 6.177 0.000 -9.990) 11.745 10.571 ( 3.043 0.000 7.938) 8.501 11.048 ( 8.204 0.000 -7.124) 10.865 11.640 ( -5.405 -0.000 19.462) 20.198 12.366 ( -2.939 -0.000 -13.799) 14.109 12.444 ( -3.026 -0.000 -6.680) 7.333 12.705 ( 0.995 0.000 18.496) 18.522 12.819 ( -3.427 -0.000 -7.044) 7.833 12.945 ( 3.846 0.000 -3.658) 5.307 13.953 ( -4.100 -0.000 -12.491) 13.147 13.980 ( 3.842 0.000 -5.103) 6.388 14.469 ( -7.596 -0.000 0.829) 7.641 14.563 ( -12.943 -0.000 -5.204) 13.950 15.047 ( -1.543 -0.000 4.446) 4.706 15.326 ( -5.311 -0.000 -3.110) 6.155 15.407 ( 4.197 0.000 8.757) 9.711 15.653 ( 9.204 0.000 0.331) 9.210 16.323 ( -2.201 -0.000 4.729) 5.216 16.395 ( 5.522 0.000 3.970) 6.801 16.547 ( 8.612 0.000 13.958) 16.401 16.907 ( -1.882 -0.000 -11.685) 11.836 24.353 ( -0.006 -0.000 -0.851) 0.851 24.394 ( 2.300 0.000 1.019) 2.515 24.559 ( -1.941 -0.000 -0.941) 2.157 24.605 ( 1.217 0.000 1.112) 1.648 25.908 ( -2.852 -0.000 4.856) 5.631 26.115 ( 1.733 0.000 -2.859) 3.343 26.353 ( -0.246 -0.000 11.571) 11.573 26.616 ( -11.285 -0.000 -14.913) 18.702 26.838 ( -0.034 -0.000 -1.645) 1.645 26.879 ( -1.586 -0.000 -4.744) 5.002 26.947 ( 0.259 0.000 5.421) 5.427 27.193 ( 1.409 0.000 -7.004) 7.145 28.741 ( -7.076 -0.000 7.723) 10.475 29.039 ( -7.227 -0.000 -4.317) 8.418 29.477 ( 19.660 0.000 18.466) 26.972 29.734 ( 14.996 0.000 -5.143) 15.853 ======================= Grid point 227 (111/140) ======================= q-point: (-0.22 -0.33 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 244 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.361 ( -9.627 -5.371 4.419) 11.876 1.427 ( -0.927 -9.700 2.600) 10.085 1.780 ( -5.944 -2.542 11.178) 12.913 1.936 ( -2.101 -6.104 11.885) 13.525 2.039 ( -4.196 -0.430 -6.666) 7.888 2.245 ( -1.530 -1.930 -3.942) 4.648 2.549 ( 10.275 6.508 -4.820) 13.083 2.668 ( 4.252 -5.431 -7.375) 10.098 2.913 ( 5.972 -7.799 -1.997) 10.023 2.996 ( 0.821 3.229 8.080) 8.740 3.112 ( -12.574 -7.301 20.764) 25.349 3.316 ( 3.830 1.336 -0.573) 4.097 3.435 ( -0.147 -4.368 0.374) 4.387 3.767 ( -6.168 3.854 6.637) 9.847 4.010 ( 1.356 5.160 -3.941) 6.633 4.155 ( 7.345 -5.874 -0.808) 9.439 4.267 ( 1.019 -5.321 -3.666) 6.542 4.332 ( -2.296 0.783 2.985) 3.846 4.589 ( 5.168 -3.417 -5.193) 8.084 4.807 ( 0.576 -8.382 -8.268) 11.788 5.057 ( -6.840 3.920 -6.038) 9.930 5.166 ( -7.794 -5.792 1.757) 9.868 5.496 ( -3.184 -1.445 2.668) 4.398 5.630 ( 2.321 -2.341 2.944) 4.420 6.025 ( 4.491 5.155 0.794) 6.883 6.078 ( -2.227 3.906 11.155) 12.027 6.197 ( -3.067 4.927 2.225) 6.215 6.400 ( -0.006 5.619 -4.245) 7.042 6.487 ( -5.032 -1.317 0.121) 5.203 6.666 ( -1.668 -0.382 -5.934) 6.176 6.805 ( -6.923 2.299 -3.285) 8.001 6.914 ( -6.054 0.134 -1.366) 6.207 7.002 ( -7.589 1.893 2.657) 8.261 7.076 ( 0.096 1.623 2.074) 2.635 7.354 ( -5.418 -5.481 -3.931) 8.651 7.417 ( 1.395 0.101 -1.281) 1.896 7.484 ( -5.001 0.632 4.531) 6.778 7.553 ( 2.513 -5.394 4.253) 7.315 7.614 ( -3.773 -2.750 2.921) 5.507 8.112 ( 2.981 1.373 -9.250) 9.815 8.158 ( 4.624 -0.362 -9.651) 10.708 8.264 ( 3.597 -3.457 -7.011) 8.605 8.631 ( -1.231 5.076 2.815) 5.933 8.864 ( -3.627 -4.884 -1.708) 6.318 9.168 ( 4.652 8.242 5.988) 11.199 9.385 ( 11.660 2.661 1.032) 12.004 9.551 ( 1.387 3.242 -5.683) 6.689 9.817 ( 13.236 -3.269 -0.304) 13.637 10.612 ( 5.850 0.384 8.036) 9.948 11.107 ( 8.869 -0.110 -5.660) 10.521 11.592 ( -6.651 2.373 17.909) 19.251 12.268 ( -4.226 6.375 -19.814) 21.239 12.363 ( -2.185 4.427 0.755) 4.994 12.636 ( -2.275 6.417 11.405) 13.282 12.872 ( -2.810 -6.344 1.624) 7.126 13.067 ( 7.090 -8.507 -4.141) 11.823 13.828 ( -4.299 6.494 -8.630) 11.624 13.990 ( 2.224 2.208 -10.018) 10.497 14.321 ( -10.539 4.950 -0.064) 11.644 14.538 ( -11.366 -5.220 -5.537) 13.678 15.045 ( -0.863 -0.252 3.639) 3.748 15.283 ( -4.354 -0.004 -1.547) 4.620 15.458 ( 4.906 -0.567 9.048) 10.309 15.736 ( 8.635 -1.011 1.723) 8.863 16.294 ( -3.133 1.206 5.071) 6.082 16.464 ( 5.716 -1.454 4.082) 7.173 16.607 ( 8.710 3.324 11.559) 14.850 16.883 ( -2.004 -0.479 -10.753) 10.949 24.347 ( 0.457 0.721 -0.341) 0.920 24.426 ( 2.685 -1.153 0.696) 3.003 24.537 ( -2.167 0.453 -0.737) 2.334 24.619 ( 0.906 -0.481 0.705) 1.245 25.889 ( -3.027 0.237 4.378) 5.328 26.081 ( 1.175 4.323 -1.464) 4.713 26.333 ( -2.727 2.588 6.352) 7.381 26.431 ( -11.572 5.344 -10.862) 16.747 26.837 ( 1.017 -0.391 4.318) 4.453 26.911 ( -0.781 -1.304 6.385) 6.564 27.047 ( 2.267 -11.223 -8.523) 14.274 27.272 ( 0.168 -7.565 -9.694) 12.297 28.707 ( -5.512 -0.980 6.442) 8.535 28.971 ( -6.182 0.829 -3.971) 7.394 29.614 ( 18.436 5.210 16.573) 25.332 29.828 ( 16.093 3.120 -3.256) 16.713 ======================= Grid point 228 (112/140) ======================= q-point: (-0.11 -0.33 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 244 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.413 ( -4.879 -5.980 0.244) 7.722 1.580 ( -1.531 -7.046 0.552) 7.232 1.823 ( -6.899 -6.310 12.445) 15.565 2.062 ( 1.635 -8.757 1.695) 9.069 2.079 ( -0.219 -5.300 0.859) 5.373 2.270 ( -2.374 -2.688 -0.025) 3.586 2.502 ( 4.103 4.385 -0.756) 6.053 2.811 ( 3.792 -7.173 -4.794) 9.425 2.943 ( -2.466 1.257 9.835) 10.217 3.086 ( 2.933 -7.170 -2.114) 8.030 3.178 ( -1.681 -0.822 6.849) 7.100 3.322 ( 4.760 -0.824 1.316) 5.007 3.585 ( -2.373 -11.073 8.272) 14.024 3.634 ( -5.278 3.340 4.074) 7.457 3.878 ( -1.163 8.700 -4.200) 9.731 4.235 ( 2.872 3.750 0.315) 4.734 4.398 ( 4.334 -8.491 -2.418) 9.835 4.407 ( -4.557 -11.362 5.444) 13.398 4.696 ( 1.921 -4.661 -5.335) 7.340 4.894 ( -6.052 0.833 4.126) 7.372 5.025 ( 5.178 -8.557 -15.802) 18.701 5.255 ( -6.242 -10.318 -1.711) 12.180 5.493 ( -3.582 -0.843 0.432) 3.705 5.696 ( 0.497 -2.814 4.140) 5.031 5.963 ( 1.498 4.257 0.972) 4.617 5.976 ( -2.147 5.723 6.851) 9.182 6.089 ( 1.972 7.308 -0.007) 7.570 6.211 ( 0.112 9.339 -3.235) 9.884 6.530 ( -3.807 -0.561 -3.478) 5.187 6.629 ( -4.043 3.046 -3.385) 6.090 6.731 ( -7.146 -3.628 2.174) 8.304 6.851 ( -6.726 -3.011 -4.472) 8.620 6.975 ( -2.001 -0.571 8.742) 8.987 7.057 ( 4.614 3.027 -0.364) 5.530 7.349 ( -9.344 -0.672 6.291) 11.284 7.467 ( -2.518 -2.700 -1.104) 3.854 7.488 ( 3.525 -4.548 -4.645) 7.395 7.606 ( -0.583 0.954 3.469) 3.645 7.650 ( -1.554 -3.424 1.678) 4.118 8.110 ( 4.268 1.320 -3.281) 5.543 8.203 ( 2.687 -1.410 -10.593) 11.019 8.303 ( -0.117 -1.546 -4.819) 5.062 8.585 ( 2.362 1.875 0.473) 3.053 8.885 ( -2.658 0.121 -4.032) 4.831 9.052 ( 4.109 8.942 4.824) 10.960 9.437 ( 9.854 1.950 1.781) 10.202 9.453 ( -2.080 4.850 -8.856) 10.309 9.915 ( 8.347 2.891 1.918) 9.039 10.667 ( 7.835 0.748 8.312) 11.447 11.198 ( 9.140 -2.715 -3.838) 10.278 11.497 ( -6.614 4.181 13.498) 15.602 12.063 ( -5.844 8.995 -14.623) 18.135 12.268 ( -0.023 5.715 -1.417) 5.888 12.522 ( -4.386 4.666 11.309) 12.996 12.958 ( -1.610 -4.755 3.016) 5.856 13.303 ( 10.154 -10.525 -6.872) 16.159 13.674 ( -2.694 6.441 -6.911) 9.824 13.925 ( -0.987 3.414 -12.086) 12.598 14.178 ( -7.188 3.303 -0.081) 7.911 14.524 ( -12.644 -5.351 -5.129) 14.657 15.045 ( -0.210 0.302 1.951) 1.986 15.253 ( -3.380 -0.122 -0.748) 3.464 15.520 ( 5.478 -0.271 9.338) 10.830 15.817 ( 7.822 -0.122 1.097) 7.900 16.251 ( -3.797 1.127 7.137) 8.162 16.504 ( 2.165 2.679 9.813) 10.400 16.631 ( 6.806 0.122 4.026) 7.909 16.855 ( -1.899 1.071 -7.956) 8.249 24.338 ( 0.788 0.764 0.021) 1.098 24.472 ( 2.613 -1.329 0.309) 2.947 24.510 ( -2.177 0.401 -0.366) 2.244 24.634 ( 0.652 -0.392 0.206) 0.788 25.858 ( -2.910 0.954 2.078) 3.701 26.011 ( -0.625 3.262 0.091) 3.322 26.239 ( -4.714 2.875 -3.132) 6.349 26.301 ( -4.172 2.838 1.754) 5.341 26.864 ( 0.447 -1.050 7.291) 7.380 26.930 ( -2.309 -1.138 11.952) 12.227 27.291 ( 6.585 -12.621 -16.440) 21.747 27.399 ( -0.845 -8.367 -13.183) 15.637 28.704 ( -3.665 -2.160 4.685) 6.329 28.908 ( -4.700 1.008 -2.632) 5.480 29.625 ( 10.410 7.920 13.359) 18.697 29.852 ( 14.206 8.155 -1.697) 16.469 ======================= Grid point 236 (113/140) ======================= q-point: (-0.22 -0.22 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.230 ( -10.314 -0.000 11.893) 15.743 1.302 ( -6.552 -0.000 13.239) 14.772 1.738 ( -0.896 -0.000 4.850) 4.932 1.888 ( -1.319 -0.000 13.897) 13.959 1.999 ( -2.097 -0.000 -12.134) 12.313 2.210 ( -0.747 -0.000 -8.933) 8.964 2.655 ( 6.759 0.000 -4.828) 8.306 2.715 ( 6.137 0.000 -0.056) 6.138 2.847 ( -23.472 -0.000 33.369) 40.797 2.883 ( 7.062 0.000 -4.053) 8.142 3.110 ( 8.051 0.000 6.770) 10.519 3.383 ( 7.485 0.000 1.438) 7.622 3.424 ( 2.423 0.000 -4.550) 5.155 3.777 ( -2.479 -0.000 4.717) 5.329 4.061 ( -0.169 -0.000 -1.119) 1.132 4.152 ( 5.783 0.000 -0.473) 5.802 4.190 ( -3.726 -0.000 -0.975) 3.852 4.338 ( -1.981 -0.000 -1.286) 2.362 4.603 ( 5.742 0.000 -8.976) 10.655 4.700 ( -0.621 -0.000 -11.204) 11.221 5.027 ( -5.803 -0.000 -0.682) 5.843 5.054 ( -9.761 -0.000 -3.854) 10.494 5.454 ( -4.051 -0.000 5.234) 6.618 5.623 ( 1.048 0.000 -0.759) 1.294 6.116 ( -2.379 -0.000 15.168) 15.354 6.125 ( 5.523 0.000 -0.198) 5.526 6.270 ( 0.859 0.000 0.993) 1.313 6.281 ( -6.213 -0.000 2.301) 6.625 6.594 ( 1.028 0.000 -6.116) 6.202 6.598 ( -4.744 -0.000 -10.121) 11.178 6.800 ( -2.234 -0.000 -1.323) 2.597 6.841 ( -8.951 -0.000 -2.438) 9.277 6.963 ( -10.172 -0.000 -5.341) 11.489 7.008 ( -9.902 -0.000 3.852) 10.625 7.282 ( -0.028 -0.000 -5.266) 5.266 7.411 ( -2.055 -0.000 9.314) 9.538 7.447 ( -7.596 -0.000 7.576) 10.728 7.537 ( 7.064 0.000 -3.479) 7.874 7.557 ( -3.706 -0.000 3.941) 5.410 8.102 ( -0.972 -0.000 -13.907) 13.941 8.201 ( 2.627 0.000 -1.788) 3.178 8.280 ( 9.335 0.000 -6.681) 11.480 8.715 ( -0.432 -0.000 7.871) 7.883 8.734 ( -4.142 -0.000 -7.707) 8.749 9.288 ( 4.631 0.000 4.473) 6.438 9.482 ( 5.546 0.000 -7.370) 9.224 9.636 ( 5.961 0.000 4.227) 7.308 9.910 ( 20.582 0.000 0.641) 20.592 10.682 ( 8.470 0.000 7.642) 11.408 11.173 ( 8.789 0.000 -5.668) 10.458 11.572 ( -8.607 -0.000 18.685) 20.573 12.262 ( -4.588 -0.000 -21.629) 22.111 12.392 ( -2.065 -0.000 -1.477) 2.539 12.723 ( -6.397 -0.000 -2.724) 6.952 12.762 ( -0.088 -0.000 21.708) 21.708 13.025 ( 6.241 0.000 -3.726) 7.269 13.830 ( -7.609 -0.000 -10.730) 13.154 14.016 ( 2.292 0.000 -5.596) 6.047 14.347 ( -7.600 -0.000 0.109) 7.601 14.349 ( -10.853 -0.000 -8.915) 14.045 15.038 ( -1.120 -0.000 4.106) 4.256 15.245 ( -3.931 -0.000 -2.202) 4.505 15.497 ( 4.319 0.000 10.918) 11.741 15.797 ( 8.118 0.000 4.457) 9.262 16.276 ( -4.712 -0.000 3.054) 5.615 16.512 ( 7.597 0.000 4.324) 8.741 16.754 ( 13.259 0.000 8.157) 15.567 16.837 ( -3.407 -0.000 -12.209) 12.676 24.361 ( 1.104 0.000 -0.519) 1.219 24.437 ( 2.826 0.000 1.365) 3.138 24.522 ( -2.365 -0.000 -1.008) 2.571 24.619 ( 0.269 0.000 0.588) 0.646 25.869 ( -3.641 -0.000 5.687) 6.752 26.134 ( 0.897 0.000 -3.478) 3.592 26.341 ( -3.645 -0.000 6.959) 7.856 26.357 ( -14.999 -0.000 -14.959) 21.184 26.850 ( 0.750 0.000 3.832) 3.904 26.864 ( 0.664 0.000 -1.987) 2.095 26.966 ( 0.648 0.000 4.025) 4.077 27.197 ( 1.134 0.000 -7.465) 7.551 28.664 ( -4.640 -0.000 6.257) 7.789 28.927 ( -5.242 -0.000 -4.590) 6.967 29.882 ( 25.544 0.000 15.863) 30.068 29.971 ( 14.992 0.000 -2.389) 15.181 ======================= Grid point 237 (114/140) ======================= q-point: (-0.11 -0.22 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 244 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.236 ( -7.721 -6.969 10.732) 14.946 1.383 ( -6.642 -11.914 14.750) 20.090 1.734 ( -3.316 0.808 4.981) 6.038 1.933 ( -3.341 -5.244 12.860) 14.284 2.021 ( 6.405 -4.300 -16.013) 17.775 2.223 ( 0.396 -2.163 -6.875) 7.218 2.680 ( 4.547 9.826 -0.215) 10.829 2.714 ( -5.819 -5.624 11.595) 14.140 2.780 ( -6.030 -8.770 19.322) 22.060 3.025 ( 5.042 -4.354 -1.740) 6.885 3.166 ( 2.892 -0.847 7.144) 7.753 3.395 ( 5.397 2.974 -1.323) 6.302 3.470 ( 3.999 -2.925 0.294) 4.963 3.717 ( -0.763 5.974 2.759) 6.625 3.994 ( -2.882 6.126 -0.845) 6.823 4.199 ( -4.259 -7.029 5.107) 9.676 4.272 ( 2.896 -5.671 -0.424) 6.382 4.318 ( 0.407 -0.580 -4.350) 4.407 4.648 ( 4.309 -2.595 -10.989) 12.085 4.800 ( 0.122 -9.158 -7.439) 11.799 4.945 ( -4.249 1.209 -9.064) 10.083 5.047 ( -5.849 -6.566 -0.104) 8.794 5.438 ( -5.263 -1.301 4.051) 6.767 5.647 ( 0.043 -2.426 -2.170) 3.255 6.026 ( -5.693 6.522 8.935) 12.441 6.093 ( 2.948 5.185 1.509) 6.152 6.212 ( 2.851 3.453 3.450) 5.653 6.415 ( -3.130 3.397 -0.674) 4.668 6.416 ( 2.845 0.521 -5.860) 6.535 6.612 ( -5.224 -2.116 -4.080) 6.958 6.670 ( -7.907 0.743 -1.647) 8.111 6.759 ( -10.342 6.295 -3.088) 12.495 6.927 ( -3.213 -4.508 6.096) 8.235 7.053 ( -2.459 -6.819 -1.607) 7.425 7.291 ( -1.663 0.932 -0.707) 2.033 7.391 ( -4.214 -1.643 3.841) 5.934 7.433 ( -2.084 -3.323 -0.138) 3.925 7.563 ( -2.471 -2.222 2.497) 4.157 7.630 ( 4.863 -3.506 2.305) 6.423 8.077 ( -1.575 -0.904 -11.380) 11.524 8.225 ( 1.373 -1.106 -0.245) 1.780 8.325 ( 6.796 2.296 -5.264) 8.898 8.636 ( 1.415 2.677 -2.471) 3.908 8.810 ( -2.643 -4.878 -1.869) 5.855 9.248 ( 4.209 8.072 3.594) 9.787 9.491 ( 0.890 1.939 -8.629) 8.889 9.622 ( 8.690 6.452 5.596) 12.184 10.053 ( 14.461 3.284 0.924) 14.858 10.760 ( 9.842 0.664 7.431) 12.350 11.231 ( 7.680 -0.527 -4.995) 9.177 11.510 ( -8.449 1.554 17.059) 19.100 12.145 ( -4.634 6.466 -20.031) 21.553 12.345 ( 0.217 3.291 -0.849) 3.405 12.579 ( -7.152 6.216 6.946) 11.749 12.864 ( -1.068 -6.017 12.476) 13.892 13.177 ( 7.969 -10.416 -4.505) 13.867 13.716 ( -6.627 3.766 -7.559) 10.735 14.002 ( 1.976 4.200 -10.276) 11.276 14.180 ( -6.229 3.912 -2.367) 7.727 14.345 ( -10.862 -3.153 -5.336) 12.506 15.041 ( -0.805 -0.564 3.614) 3.745 15.221 ( -2.870 -0.433 -1.602) 3.315 15.557 ( 4.522 -1.129 11.218) 12.148 15.874 ( 7.630 -0.743 5.121) 9.219 16.233 ( -5.502 0.470 3.311) 6.439 16.580 ( 6.946 0.237 5.072) 8.604 16.725 ( 0.807 5.628 -2.513) 6.217 16.866 ( 4.847 0.770 -2.724) 5.613 24.363 ( 1.442 0.842 -0.097) 1.673 24.472 ( 2.422 -0.919 0.948) 2.758 24.498 ( -2.019 0.253 -0.595) 2.120 24.627 ( -0.010 -0.715 0.128) 0.726 25.845 ( -3.711 0.184 4.500) 5.836 26.064 ( -4.501 4.564 -4.085) 7.601 26.228 ( -5.826 1.354 -5.286) 7.982 26.306 ( -4.356 1.212 4.069) 6.083 26.860 ( 0.710 -0.558 4.668) 4.755 26.914 ( -0.908 -0.850 7.042) 7.151 27.075 ( 3.575 -12.705 -9.467) 16.243 27.259 ( 1.001 -6.218 -8.689) 10.732 28.650 ( -3.332 -1.324 5.396) 6.479 28.881 ( -3.895 0.452 -4.141) 5.703 29.928 ( 15.011 12.248 10.874) 22.217 30.094 ( 17.339 4.627 0.703) 17.959 ======================= Grid point 246 (115/140) ======================= q-point: (-0.11 -0.11 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.139 ( -5.756 -0.000 19.531) 20.362 1.212 ( -8.011 -0.000 24.492) 25.769 1.754 ( -1.733 -0.000 2.308) 2.886 1.832 ( -10.681 -0.000 10.571) 15.028 2.029 ( 11.922 0.000 -18.926) 22.368 2.188 ( 0.994 0.000 -10.044) 10.093 2.553 ( -15.487 -0.000 46.206) 48.732 2.766 ( 7.244 0.000 -1.205) 7.343 2.865 ( 4.690 0.000 -0.980) 4.791 2.978 ( 6.272 0.000 -2.748) 6.848 3.186 ( -1.500 -0.000 5.103) 5.319 3.460 ( 3.979 0.000 -3.181) 5.094 3.491 ( 4.456 0.000 2.740) 5.231 3.807 ( 5.913 0.000 2.144) 6.290 4.008 ( -7.312 -0.000 6.536) 9.807 4.105 ( -6.050 -0.000 0.530) 6.073 4.225 ( 3.371 0.000 1.640) 3.749 4.303 ( -1.140 -0.000 -8.191) 8.270 4.663 ( 4.899 0.000 -13.416) 14.283 4.672 ( 0.634 0.000 -14.082) 14.096 4.905 ( -6.616 -0.000 -5.364) 8.518 4.959 ( -1.645 -0.000 -0.894) 1.873 5.390 ( -5.029 -0.000 6.402) 8.141 5.622 ( 0.327 0.000 -4.997) 5.008 6.097 ( -4.799 -0.000 16.108) 16.808 6.151 ( -1.612 -0.000 -1.193) 2.005 6.278 ( -0.943 -0.000 -1.767) 2.003 6.288 ( 5.883 0.000 1.367) 6.039 6.448 ( -11.452 -0.000 -4.376) 12.260 6.585 ( -0.788 -0.000 -4.548) 4.616 6.728 ( -0.689 -0.000 -6.789) 6.823 6.764 ( -4.488 -0.000 3.389) 5.624 6.835 ( -3.610 -0.000 -1.029) 3.754 6.863 ( -6.193 -0.000 -1.786) 6.445 7.310 ( 4.038 0.000 -1.246) 4.226 7.330 ( -8.626 -0.000 6.026) 10.523 7.385 ( -5.005 -0.000 10.777) 11.882 7.548 ( 1.723 0.000 3.695) 4.077 7.621 ( 4.581 0.000 -3.734) 5.910 8.055 ( -0.738 -0.000 -13.657) 13.677 8.208 ( -2.015 -0.000 4.912) 5.310 8.407 ( 7.901 0.000 -6.144) 10.009 8.672 ( -1.426 -0.000 -6.344) 6.502 8.738 ( 1.534 0.000 0.701) 1.687 9.356 ( 2.212 0.000 2.975) 3.707 9.510 ( 1.550 0.000 -9.418) 9.545 9.738 ( 5.023 0.000 9.355) 10.618 10.236 ( 16.717 0.000 -4.461) 17.302 10.859 ( 10.837 0.000 6.954) 12.876 11.277 ( 4.896 0.000 -5.201) 7.143 11.458 ( -10.717 -0.000 17.968) 20.921 12.151 ( -1.831 -0.000 -21.599) 21.677 12.382 ( 1.647 0.000 -0.543) 1.734 12.603 ( -8.073 -0.000 -1.027) 8.138 12.791 ( -2.878 -0.000 22.255) 22.440 13.121 ( 6.607 0.000 -1.677) 6.817 13.688 ( -6.871 -0.000 -4.537) 8.234 14.035 ( 1.959 0.000 -3.610) 4.107 14.189 ( -5.912 -0.000 -15.167) 16.279 14.239 ( -5.447 -0.000 -0.477) 5.468 15.031 ( -0.914 -0.000 4.652) 4.741 15.194 ( -1.899 -0.000 -1.729) 2.568 15.593 ( 4.248 0.000 12.707) 13.398 15.931 ( 6.973 0.000 8.112) 10.697 16.192 ( -6.258 -0.000 0.519) 6.280 16.628 ( 3.314 0.000 4.358) 5.475 16.762 ( -0.480 -0.000 -12.012) 12.022 16.958 ( 9.202 0.000 -1.659) 9.351 24.384 ( 1.712 0.000 -0.087) 1.714 24.475 ( -1.452 -0.000 -0.749) 1.634 24.494 ( 2.118 0.000 1.579) 2.642 24.615 ( -0.822 -0.000 -0.028) 0.822 25.820 ( -3.873 -0.000 5.430) 6.670 26.036 ( -10.532 -0.000 -7.825) 13.121 26.213 ( 0.188 0.000 -1.402) 1.415 26.284 ( -4.535 -0.000 2.862) 5.362 26.872 ( 0.668 0.000 4.894) 4.940 26.886 ( 2.064 0.000 0.388) 2.100 26.987 ( 1.340 0.000 1.367) 1.914 27.196 ( 0.903 0.000 -7.807) 7.859 28.621 ( -2.493 -0.000 5.526) 6.062 28.854 ( -2.607 -0.000 -4.633) 5.316 30.176 ( 10.352 0.000 0.932) 10.394 30.295 ( 19.822 0.000 4.083) 20.238 ======================= Grid point 247 (116/140) ======================= q-point: ( 0.00 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 70 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.453 ( -3.652 -0.000 -5.180) 6.338 1.453 ( 3.652 0.000 5.180) 6.338 1.798 ( -9.450 -0.000 -1.232) 9.530 1.798 ( 9.450 0.000 1.232) 9.530 1.925 ( -7.649 -0.000 0.640) 7.676 1.925 ( 7.649 0.000 -0.640) 7.676 2.841 ( 2.590 0.000 -0.907) 2.744 2.841 ( -2.590 -0.000 0.907) 2.744 3.051 ( 6.213 0.000 -2.915) 6.863 3.051 ( -6.213 -0.000 2.915) 6.863 3.512 ( -4.155 -0.000 -1.187) 4.322 3.512 ( 4.155 0.000 1.187) 4.322 3.628 ( 3.109 0.000 -40.340) 40.459 3.628 ( -3.109 -0.000 40.340) 40.459 3.972 ( -9.880 -0.000 -1.596) 10.008 3.972 ( 9.880 0.000 1.596) 10.008 4.306 ( 3.759 0.000 -18.066) 18.453 4.306 ( -3.759 -0.000 18.066) 18.453 4.378 ( 0.966 0.000 -6.444) 6.516 4.378 ( -0.966 -0.000 6.444) 6.516 4.914 ( 2.984 0.000 -5.190) 5.987 4.914 ( -2.984 -0.000 5.190) 5.987 5.492 ( 0.397 0.000 -6.614) 6.626 5.492 ( -0.397 -0.000 6.614) 6.626 6.136 ( -4.192 -0.000 1.229) 4.368 6.136 ( 4.192 0.000 -1.229) 4.368 6.356 ( 4.937 0.000 -2.280) 5.438 6.356 ( -4.937 -0.000 2.280) 5.438 6.414 ( 0.864 0.000 -11.756) 11.787 6.414 ( -0.864 -0.000 11.756) 11.787 6.716 ( -11.077 -0.000 3.605) 11.649 6.716 ( 11.077 0.000 -3.605) 11.649 6.793 ( -1.260 -0.000 -0.177) 1.273 6.793 ( 1.260 0.000 0.177) 1.273 7.321 ( 9.110 0.000 -6.446) 11.160 7.321 ( -9.110 -0.000 6.446) 11.160 7.546 ( 5.069 0.000 -9.762) 11.000 7.546 ( -5.069 -0.000 9.762) 11.000 7.759 ( -1.239 -0.000 -12.016) 12.079 7.759 ( 1.239 0.000 12.016) 12.079 8.328 ( 2.180 0.000 -8.021) 8.312 8.328 ( -2.180 -0.000 8.021) 8.312 8.672 ( -4.628 -0.000 -2.244) 5.143 8.672 ( 4.628 0.000 2.244) 5.143 9.402 ( 2.047 0.000 -3.135) 3.744 9.402 ( -2.047 -0.000 3.135) 3.744 10.085 ( -3.669 -0.000 -13.371) 13.865 10.085 ( 3.669 0.000 13.371) 13.865 11.153 ( -4.547 -0.000 -7.115) 8.444 11.153 ( 4.547 0.000 7.115) 8.444 11.729 ( 7.657 0.000 -21.611) 22.927 11.729 ( -7.657 -0.000 21.611) 22.927 12.457 ( -6.943 -0.000 -0.734) 6.982 12.457 ( 6.943 0.000 0.734) 6.982 13.126 ( 7.917 0.000 -12.626) 14.903 13.126 ( -7.917 -0.000 12.626) 14.903 13.726 ( -3.952 -0.000 -10.676) 11.384 13.726 ( 3.952 0.000 10.676) 11.384 14.130 ( -3.355 -0.000 -2.520) 4.196 14.130 ( 3.355 0.000 2.520) 4.196 15.122 ( 0.100 0.000 -3.934) 3.935 15.122 ( -0.100 -0.000 3.934) 3.935 15.914 ( -3.102 -0.000 -10.363) 10.817 15.914 ( 3.102 0.000 10.363) 10.817 16.367 ( -3.272 -0.000 -15.163) 15.512 16.367 ( 3.272 0.000 15.163) 15.512 16.863 ( -4.992 -0.000 -5.335) 7.307 16.863 ( 4.992 0.000 5.335) 7.307 24.422 ( -2.214 -0.000 -0.646) 2.306 24.422 ( 2.214 0.000 0.646) 2.306 24.574 ( -2.484 -0.000 -1.246) 2.779 24.574 ( 2.484 0.000 1.246) 2.779 25.875 ( 2.070 0.000 -4.421) 4.882 25.875 ( -2.070 -0.000 4.421) 4.882 26.236 ( -4.183 -0.000 0.659) 4.235 26.236 ( 4.183 0.000 -0.659) 4.235 26.958 ( -0.836 -0.000 -2.078) 2.239 26.958 ( 0.836 0.000 2.078) 2.239 27.031 ( 0.965 0.000 -7.886) 7.945 27.031 ( -0.965 -0.000 7.886) 7.945 28.720 ( 0.308 0.000 -5.792) 5.800 28.720 ( -0.308 -0.000 5.792) 5.800 30.350 ( -4.001 -0.000 -3.374) 5.233 30.350 ( 4.001 0.000 3.374) 5.233 ======================= Grid point 249 (117/140) ======================= q-point: ( 0.11 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 243 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.416 ( -1.726 0.299 -6.753) 6.976 1.475 ( 3.882 1.471 3.478) 5.416 1.738 ( -13.592 -6.387 22.069) 26.694 1.879 ( 8.692 -4.256 -16.410) 19.052 2.007 ( -3.234 -9.617 10.342) 14.488 2.101 ( 11.286 -7.669 -13.413) 19.134 2.749 ( -4.466 6.507 0.102) 7.892 2.771 ( -2.243 3.931 -0.028) 4.526 3.071 ( -3.001 -4.352 1.804) 5.586 3.113 ( 3.831 -1.192 -4.635) 6.130 3.426 ( -4.864 3.910 1.869) 6.515 3.467 ( 0.708 5.010 -5.254) 7.295 3.672 ( -0.057 -2.288 0.120) 2.292 3.698 ( 1.756 -4.757 3.693) 6.273 3.854 ( -8.802 1.479 -5.646) 10.561 4.026 ( 9.771 0.673 5.742) 11.354 4.333 ( -5.373 -3.837 0.559) 6.625 4.414 ( -4.299 -6.991 -5.871) 10.091 4.424 ( 5.510 -7.298 -2.253) 9.417 4.497 ( 2.983 -10.524 10.059) 14.861 4.908 ( -2.695 -1.274 4.580) 5.465 4.977 ( 7.183 -3.364 -6.409) 10.197 5.488 ( 0.219 0.195 -2.116) 2.136 5.539 ( 5.961 -2.553 -0.169) 6.487 6.062 ( -3.183 4.266 2.272) 5.787 6.120 ( 3.905 4.726 0.780) 6.180 6.272 ( -3.342 4.409 -2.473) 6.060 6.322 ( 1.690 5.794 5.240) 7.993 6.440 ( -3.331 3.183 -2.569) 5.275 6.493 ( 3.038 -4.997 0.898) 5.917 6.592 ( 0.531 -2.548 1.570) 3.040 6.633 ( 6.142 5.827 -2.830) 8.927 6.932 ( -5.260 -10.518 5.128) 12.830 7.024 ( 7.795 -10.845 -6.130) 14.695 7.246 ( -6.192 0.803 6.000) 8.660 7.362 ( 9.106 2.808 -6.065) 11.296 7.498 ( -3.464 0.919 4.311) 5.606 7.552 ( 4.045 1.250 -4.083) 5.882 7.794 ( -1.442 -4.763 -7.256) 8.799 7.830 ( 1.040 -4.076 6.865) 8.051 8.301 ( -4.334 0.996 6.225) 7.651 8.324 ( 0.338 0.409 -5.915) 5.939 8.633 ( -4.945 0.292 -1.241) 5.107 8.726 ( 6.341 -0.934 1.092) 6.502 9.327 ( -3.762 6.449 1.520) 7.619 9.373 ( 2.190 4.348 -0.881) 4.947 9.948 ( -10.170 7.188 -8.635) 15.155 10.057 ( -0.195 5.011 9.918) 11.114 11.091 ( -7.761 0.152 -8.532) 11.535 11.179 ( -0.100 -0.637 6.655) 6.686 11.681 ( -3.603 3.858 19.184) 19.897 11.757 ( 10.040 2.843 -18.363) 21.121 12.373 ( -5.117 3.416 0.095) 6.153 12.486 ( 7.990 2.543 0.188) 8.387 13.143 ( -8.873 -6.911 12.375) 16.722 13.226 ( 5.152 -5.458 -15.090) 16.854 13.637 ( -2.235 5.381 -6.163) 8.482 13.721 ( 5.290 5.444 9.026) 11.794 14.117 ( 0.044 -0.261 -1.378) 1.403 14.168 ( 5.991 -0.776 0.501) 6.061 15.118 ( 0.259 0.278 -3.572) 3.592 15.132 ( 1.140 -0.311 3.337) 3.540 15.865 ( -4.631 0.493 -9.710) 10.769 15.925 ( -0.521 1.428 8.848) 8.977 16.348 ( -1.098 -1.791 -12.509) 12.685 16.422 ( 3.510 -0.780 14.848) 15.277 16.789 ( -7.485 1.797 -2.665) 8.146 16.877 ( 2.416 2.014 2.108) 3.786 24.397 ( -2.314 0.703 -0.375) 2.447 24.436 ( 2.456 0.417 0.615) 2.565 24.557 ( -2.985 -0.575 -1.439) 3.363 24.600 ( 1.961 -0.625 1.084) 2.325 25.867 ( 0.856 0.989 1.101) 1.710 25.894 ( 4.078 0.216 -0.812) 4.164 26.208 ( -3.403 -0.002 0.333) 3.419 26.273 ( 5.205 0.200 -0.485) 5.232 26.955 ( -2.129 -1.912 -0.116) 2.864 26.984 ( 1.515 -2.478 -0.205) 2.912 27.070 ( -2.157 -4.637 1.579) 5.353 27.101 ( 2.131 -5.746 -2.771) 6.726 28.725 ( 1.168 -0.516 -4.411) 4.592 28.736 ( 1.223 -0.757 4.581) 4.801 30.198 ( -9.903 9.536 -0.270) 13.751 30.261 ( -2.850 10.168 1.761) 10.705 ======================= Grid point 250 (118/140) ======================= q-point: ( 0.22 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 243 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.420 ( -0.546 -2.602 -3.396) 4.313 1.503 ( 3.255 -1.882 3.128) 4.891 1.863 ( -7.696 -13.025 18.286) 23.734 2.021 ( 5.117 -5.290 -13.795) 15.635 2.124 ( 0.817 -3.012 4.664) 5.612 2.288 ( 8.653 -6.433 -9.194) 14.170 2.645 ( -3.161 -0.876 -8.689) 9.288 2.733 ( -1.565 -1.579 6.139) 6.529 3.085 ( -1.733 1.422 -0.645) 2.333 3.121 ( 0.859 2.329 -3.166) 4.023 3.339 ( -5.215 1.995 3.427) 6.551 3.390 ( -4.065 1.230 -2.423) 4.890 3.628 ( 1.072 5.097 -1.856) 5.529 3.711 ( -1.026 3.195 12.402) 12.848 3.942 ( -0.135 -13.577 -22.620) 26.382 4.142 ( 3.793 -4.098 10.079) 11.522 4.343 ( -3.682 -1.671 4.721) 6.216 4.458 ( 3.137 -2.015 0.053) 3.729 4.652 ( 1.550 -14.555 -10.912) 18.257 4.740 ( -0.146 -12.974 12.362) 17.922 4.945 ( -2.737 -5.218 1.311) 6.036 5.116 ( 7.781 -5.779 -2.071) 9.911 5.489 ( 0.724 -0.301 -2.668) 2.780 5.664 ( 8.814 -4.319 -0.713) 9.841 5.963 ( -4.049 4.308 4.765) 7.593 6.060 ( 1.714 4.709 -1.742) 5.305 6.133 ( -3.706 7.239 -2.548) 8.522 6.205 ( -0.981 7.357 2.419) 7.806 6.373 ( 0.333 2.036 3.220) 3.824 6.494 ( 6.710 6.303 -0.385) 9.214 6.709 ( 4.584 -6.790 -1.837) 8.396 6.725 ( 3.226 -7.096 0.101) 7.796 6.996 ( -5.469 -0.565 6.246) 8.321 7.142 ( 1.672 -0.820 -1.810) 2.597 7.330 ( 4.398 -6.798 -3.118) 8.676 7.379 ( 3.518 -1.845 -0.541) 4.010 7.497 ( 0.137 -2.693 -1.360) 3.020 7.580 ( 2.662 -1.203 0.019) 2.921 7.821 ( -0.533 0.736 -9.553) 9.596 7.901 ( 1.921 -1.779 8.421) 8.819 8.250 ( -6.851 -0.090 0.723) 6.890 8.306 ( -2.649 0.297 -2.364) 3.563 8.585 ( -4.226 0.650 2.914) 5.174 8.789 ( 7.396 0.797 0.199) 7.442 9.144 ( -4.878 9.326 1.390) 10.616 9.298 ( 3.593 6.761 -0.230) 7.660 9.715 ( -12.485 6.171 -5.424) 14.946 9.965 ( -0.912 5.602 4.890) 7.492 10.999 ( -9.942 1.683 -7.473) 12.550 11.209 ( -3.588 -3.898 5.348) 7.528 11.574 ( 1.265 8.579 10.475) 13.599 11.747 ( 9.440 4.607 -9.754) 14.334 12.267 ( -3.820 4.875 1.325) 6.333 12.519 ( 8.654 1.539 -0.924) 8.838 13.198 ( -9.531 -4.534 10.093) 14.604 13.279 ( -0.583 0.707 -13.784) 13.815 13.556 ( 0.191 0.814 0.663) 1.067 13.696 ( 5.287 1.487 3.530) 6.528 14.111 ( 1.025 1.521 0.062) 1.835 14.291 ( 11.449 -5.262 -1.380) 12.676 15.104 ( -0.069 0.948 -3.262) 3.398 15.157 ( 2.629 -0.306 3.055) 4.042 15.802 ( -4.871 1.290 -8.187) 9.613 15.874 ( -4.012 3.260 6.640) 8.415 16.373 ( 0.242 -2.262 -8.308) 8.613 16.475 ( 2.568 -0.637 11.667) 11.963 16.694 ( -7.564 1.619 2.771) 8.217 16.846 ( 1.398 2.935 -3.727) 4.945 24.365 ( -2.066 0.754 -0.267) 2.215 24.452 ( 2.906 0.263 0.452) 2.952 24.541 ( -3.264 -0.650 -1.083) 3.500 24.623 ( 1.133 -0.315 0.901) 1.481 25.853 ( 1.192 1.482 -0.479) 1.961 25.924 ( 4.160 0.388 1.815) 4.555 26.184 ( -2.296 -0.044 0.255) 2.311 26.296 ( 5.235 2.195 -1.967) 6.007 27.001 ( -2.331 -5.081 2.915) 6.305 27.064 ( 1.869 -4.802 -0.152) 5.156 27.138 ( -3.584 -4.935 4.918) 7.835 27.220 ( 2.998 -5.681 -8.892) 10.969 28.746 ( 1.714 -0.992 -2.824) 3.450 28.776 ( 2.698 -1.495 3.055) 4.342 29.918 ( -11.300 11.695 2.997) 16.536 30.012 ( -5.867 12.753 -1.552) 14.123 ======================= Grid point 251 (119/140) ======================= q-point: ( 0.33 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 243 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.482 ( 0.107 -4.755 -1.674) 5.042 1.597 ( 3.943 -4.442 2.885) 6.603 1.949 ( -7.757 1.130 5.730) 9.710 2.110 ( -0.760 -6.027 2.749) 6.668 2.230 ( 7.737 -6.630 0.066) 10.190 2.439 ( 8.453 -4.511 -11.939) 15.308 2.714 ( -0.949 -8.629 -12.435) 15.165 2.808 ( -1.943 -6.079 10.620) 12.390 3.022 ( -1.060 3.656 -2.067) 4.331 3.041 ( -0.129 5.327 -0.776) 5.384 3.233 ( -4.846 6.107 0.592) 7.819 3.364 ( -5.825 -2.050 6.471) 8.945 3.591 ( 5.299 2.236 -5.010) 7.628 3.651 ( -1.121 2.508 2.546) 3.745 4.091 ( -6.217 -2.074 -7.225) 9.755 4.153 ( -0.097 0.005 2.862) 2.864 4.368 ( 1.499 -2.109 2.803) 3.815 4.645 ( 9.157 -12.726 2.599) 15.892 4.890 ( -1.830 -11.820 -3.744) 12.534 4.955 ( 0.379 -11.881 -0.468) 11.896 5.048 ( -1.923 -7.996 0.123) 8.225 5.255 ( 4.394 -3.141 3.718) 6.557 5.519 ( 1.906 -2.847 -2.162) 4.051 5.782 ( 7.001 -0.034 -0.592) 7.026 5.860 ( -5.100 3.409 4.766) 7.768 5.925 ( -6.377 6.364 3.190) 9.558 6.053 ( 4.044 2.597 -8.623) 9.872 6.080 ( -2.915 5.140 2.462) 6.401 6.334 ( 3.475 4.774 0.821) 5.962 6.472 ( 4.401 1.525 3.104) 5.597 6.824 ( 3.672 -3.369 -0.751) 5.039 6.869 ( 2.140 -4.889 1.857) 5.651 6.969 ( -1.772 -1.123 3.611) 4.176 7.126 ( 3.490 4.521 -6.018) 8.296 7.379 ( -1.596 -1.622 8.373) 8.676 7.488 ( 0.755 -3.768 -7.048) 8.028 7.602 ( 0.779 0.675 -1.796) 2.071 7.611 ( 2.425 -7.632 -2.060) 8.269 7.760 ( 1.100 3.041 -8.865) 9.436 7.953 ( 5.065 -0.219 9.427) 10.704 8.190 ( -8.197 0.258 -4.963) 9.586 8.264 ( -5.270 0.712 2.549) 5.897 8.564 ( -1.099 -0.160 6.957) 7.045 8.794 ( 4.692 4.218 -4.277) 7.623 8.984 ( -1.953 5.090 3.086) 6.265 9.201 ( 2.176 6.300 0.061) 6.665 9.564 ( -8.440 1.266 -4.834) 9.808 9.868 ( -1.176 4.693 2.219) 5.323 10.863 ( -9.137 3.675 -3.736) 10.533 11.264 ( -5.821 -5.797 3.857) 9.075 11.459 ( 5.790 8.033 2.605) 10.239 11.746 ( 6.926 1.953 -3.965) 8.216 12.150 ( -2.970 5.267 1.706) 6.282 12.546 ( 6.993 2.813 -0.398) 7.548 13.142 ( -5.759 2.610 -6.833) 9.310 13.232 ( -3.443 0.975 6.455) 7.380 13.597 ( 0.564 -3.628 -0.522) 3.708 13.757 ( 3.022 -3.147 1.060) 4.490 14.086 ( 0.835 1.930 0.053) 2.103 14.502 ( 12.852 -7.008 -1.216) 14.689 15.076 ( -1.093 1.351 -2.952) 3.426 15.191 ( 3.511 -0.473 2.757) 4.489 15.723 ( -4.788 2.551 -7.296) 9.092 15.776 ( -5.148 3.875 6.050) 8.838 16.398 ( -0.275 -1.272 -4.525) 4.709 16.505 ( 0.892 0.011 5.981) 6.048 16.640 ( -4.296 -0.462 7.074) 8.289 16.798 ( 1.234 2.850 -6.839) 7.511 24.340 ( -1.453 0.509 -0.211) 1.554 24.473 ( 2.989 0.173 0.178) 3.000 24.526 ( -3.082 -0.609 -0.434) 3.171 24.631 ( 0.454 0.066 0.568) 0.730 25.837 ( 0.636 1.014 -0.220) 1.217 25.946 ( 2.730 0.553 1.301) 3.074 26.177 ( -1.182 -0.624 0.871) 1.595 26.277 ( 3.459 3.373 -2.490) 5.435 27.083 ( -0.910 -4.984 -0.507) 5.092 27.163 ( 1.322 -4.118 6.650) 7.933 27.188 ( -4.057 -3.673 5.761) 7.946 27.309 ( 2.865 -2.996 -12.568) 13.234 28.779 ( 1.864 -1.344 -1.632) 2.818 28.834 ( 3.300 -1.813 1.782) 4.165 29.656 ( -9.115 8.726 3.645) 13.135 29.766 ( -5.132 9.371 -2.651) 11.008 ======================= Grid point 252 (120/140) ======================= q-point: ( 0.44 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 243 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.574 ( 1.003 -4.591 -1.706) 4.999 1.687 ( 1.730 -1.965 1.931) 3.253 1.840 ( -3.340 4.249 2.031) 5.774 2.158 ( -1.070 -1.265 1.585) 2.293 2.448 ( 6.524 -8.531 0.648) 10.760 2.536 ( 4.168 -0.914 -7.861) 8.944 2.811 ( -6.499 -4.366 -3.766) 8.688 2.832 ( -2.074 2.921 4.422) 5.691 2.991 ( 1.435 -1.747 2.923) 3.695 3.010 ( 1.095 -1.658 -3.811) 4.297 3.095 ( 0.164 6.405 0.516) 6.428 3.346 ( -3.194 0.897 4.476) 5.571 3.600 ( 0.234 -1.840 -0.653) 1.967 3.638 ( 2.582 0.949 -2.705) 3.857 3.972 ( -3.838 4.578 -0.306) 5.982 4.170 ( -1.092 -0.456 1.641) 2.023 4.430 ( 1.450 -1.978 -0.318) 2.473 4.942 ( 9.156 -9.813 2.039) 13.575 5.016 ( -2.627 -5.642 -1.379) 6.374 5.104 ( -2.301 -3.196 0.612) 3.985 5.136 ( -0.496 -1.641 -4.657) 4.962 5.313 ( 0.256 -2.364 2.766) 3.647 5.597 ( 1.776 -3.484 -1.029) 4.044 5.725 ( -1.410 4.400 1.613) 4.894 5.809 ( -1.533 1.770 1.143) 2.606 5.824 ( -0.681 2.631 1.203) 2.972 6.006 ( -1.241 1.447 1.508) 2.430 6.045 ( 1.513 0.378 -3.883) 4.185 6.288 ( 2.124 2.546 0.276) 3.327 6.489 ( 1.295 0.045 2.126) 2.490 6.885 ( 1.265 -1.324 1.177) 2.176 6.946 ( 0.493 -4.010 1.491) 4.306 7.001 ( 0.454 -1.048 1.018) 1.530 7.043 ( 1.413 5.652 -4.883) 7.602 7.407 ( -0.321 -0.889 6.923) 6.987 7.467 ( -2.561 1.630 -5.223) 6.041 7.615 ( 1.846 -1.146 -4.550) 5.042 7.703 ( 1.145 -0.825 -1.064) 1.768 7.766 ( 0.627 -2.266 -0.962) 2.541 8.004 ( 3.874 0.490 5.046) 6.381 8.122 ( -4.152 -0.389 -3.928) 5.729 8.210 ( -3.611 1.278 2.134) 4.385 8.583 ( 0.460 -0.946 5.360) 5.462 8.732 ( 0.686 3.223 -4.943) 5.941 8.939 ( 0.474 0.819 1.504) 1.776 9.138 ( 0.523 1.999 0.778) 2.208 9.498 ( -3.083 0.785 -2.386) 3.977 9.806 ( -0.402 1.628 0.702) 1.818 10.752 ( -3.743 1.902 -1.009) 4.318 11.312 ( -4.460 -3.528 2.112) 6.066 11.401 ( 4.896 3.742 -0.541) 6.186 11.768 ( 2.517 0.032 -1.188) 2.784 12.061 ( -1.193 2.526 0.807) 2.908 12.539 ( 2.705 1.901 0.264) 3.317 13.063 ( -2.176 1.347 -3.511) 4.345 13.209 ( -1.314 0.187 3.283) 3.541 13.651 ( 0.150 -1.776 -0.332) 1.813 13.822 ( 0.862 -1.792 0.328) 2.015 14.064 ( 0.352 0.973 -0.001) 1.034 14.691 ( 6.858 -4.064 -0.269) 7.976 15.037 ( -1.659 1.149 -1.635) 2.597 15.230 ( 2.288 -0.583 1.522) 2.809 15.626 ( -3.551 2.573 -2.335) 4.968 15.706 ( -1.844 1.248 1.730) 2.820 16.405 ( -0.347 -0.386 -1.377) 1.472 16.509 ( -0.059 0.106 1.652) 1.657 16.644 ( -1.070 -0.883 4.597) 4.802 16.759 ( 0.669 1.469 -4.296) 4.589 24.325 ( -0.529 0.175 -0.081) 0.563 24.490 ( 2.014 0.242 -0.074) 2.030 24.514 ( -2.003 -0.441 0.023) 2.051 24.632 ( 0.096 0.093 0.189) 0.231 25.828 ( 0.187 0.331 -0.024) 0.381 25.953 ( 0.894 0.253 0.355) 0.995 26.187 ( -0.583 -0.971 0.957) 1.482 26.241 ( 1.402 2.166 -1.505) 2.987 27.142 ( 0.138 -2.089 -3.037) 3.689 27.203 ( -1.167 -0.555 6.057) 6.193 27.241 ( -0.747 -2.550 4.882) 5.559 27.342 ( 1.494 -0.460 -8.149) 8.298 28.810 ( 0.924 -0.757 -0.552) 1.316 28.883 ( 1.747 -0.968 0.571) 2.078 29.499 ( -3.781 3.319 1.668) 5.300 29.620 ( -2.066 3.435 -1.258) 4.201 ======================= Grid point 258 (121/140) ======================= q-point: ( 0.11 0.11 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 135 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.403 ( -0.889 -0.000 -7.760) 7.811 1.526 ( -4.315 -0.000 -5.217) 6.771 1.599 ( -3.927 -0.000 23.782) 24.104 1.871 ( 0.919 0.000 19.673) 19.695 1.913 ( 4.695 0.000 -15.190) 15.899 2.119 ( 14.182 0.000 -17.996) 22.913 2.749 ( -8.715 -0.000 1.880) 8.916 2.810 ( -6.661 -0.000 0.889) 6.720 2.959 ( -5.950 -0.000 -0.698) 5.991 3.142 ( 5.999 0.000 -6.325) 8.717 3.419 ( -7.351 -0.000 0.902) 7.406 3.526 ( -3.314 -0.000 -0.489) 3.350 3.607 ( 6.635 0.000 -39.641) 40.193 3.687 ( -0.889 -0.000 38.290) 38.301 3.840 ( -5.096 -0.000 -0.375) 5.110 4.125 ( 8.243 0.000 2.393) 8.583 4.259 ( -4.359 -0.000 -6.769) 8.051 4.265 ( -3.659 -0.000 2.220) 4.280 4.392 ( -0.156 -0.000 8.035) 8.036 4.444 ( 6.457 0.000 1.851) 6.717 4.926 ( 3.054 0.000 2.577) 3.996 4.988 ( 7.264 0.000 -6.679) 9.868 5.522 ( 4.452 0.000 -7.378) 8.617 5.550 ( 5.977 0.000 2.126) 6.343 6.093 ( -2.834 -0.000 5.783) 6.440 6.196 ( 0.875 0.000 4.670) 4.752 6.299 ( -1.455 -0.000 -0.094) 1.458 6.419 ( 4.031 0.000 -12.303) 12.947 6.431 ( -0.486 -0.000 10.143) 10.155 6.437 ( 5.807 0.000 -2.784) 6.440 6.595 ( -3.721 -0.000 5.425) 6.578 6.765 ( -0.981 -0.000 1.374) 1.688 6.839 ( 4.782 0.000 -1.749) 5.092 6.923 ( 14.052 0.000 -6.412) 15.446 7.219 ( -5.178 -0.000 5.384) 7.470 7.461 ( 8.436 0.000 -4.091) 9.375 7.493 ( -3.177 -0.000 7.292) 7.954 7.602 ( 3.783 0.000 -6.416) 7.448 7.708 ( -0.984 -0.000 -14.171) 14.205 7.798 ( 0.252 0.000 12.097) 12.099 8.284 ( -5.671 -0.000 7.170) 9.142 8.314 ( -2.053 -0.000 -5.925) 6.271 8.608 ( -2.627 -0.000 -0.624) 2.700 8.761 ( 6.342 0.000 -1.330) 6.480 9.365 ( -3.453 -0.000 4.529) 5.695 9.409 ( -0.530 -0.000 -3.054) 3.100 9.924 ( -11.491 -0.000 -9.242) 14.747 10.065 ( -9.940 -0.000 11.985) 15.571 11.017 ( -8.803 -0.000 -9.124) 12.679 11.159 ( -5.625 -0.000 7.230) 9.161 11.728 ( 1.018 0.000 21.545) 21.569 11.842 ( 11.375 0.000 -21.230) 24.085 12.381 ( -1.712 -0.000 -0.707) 1.853 12.572 ( 6.195 0.000 1.984) 6.505 13.015 ( -8.931 -0.000 10.793) 14.009 13.191 ( 3.841 0.000 -16.188) 16.637 13.679 ( 0.504 0.000 -5.339) 5.363 13.832 ( 4.975 0.000 10.386) 11.516 14.122 ( 4.302 0.000 -3.011) 5.251 14.219 ( 6.903 0.000 1.505) 7.065 15.123 ( 1.113 0.000 -4.455) 4.592 15.141 ( 1.494 0.000 3.750) 4.036 15.812 ( -6.127 -0.000 -9.864) 11.612 15.929 ( -4.316 -0.000 7.084) 8.295 16.317 ( 1.069 0.000 -10.052) 10.109 16.465 ( 3.840 0.000 16.283) 16.729 16.734 ( -8.918 -0.000 -4.183) 9.850 16.902 ( -1.235 -0.000 2.599) 2.877 24.386 ( -2.128 -0.000 -0.328) 2.154 24.457 ( 1.837 0.000 1.006) 2.094 24.527 ( -2.800 -0.000 -1.678) 3.264 24.608 ( 1.451 0.000 0.699) 1.610 25.910 ( 5.106 0.000 5.881) 7.788 25.930 ( 5.181 0.000 -5.725) 7.721 26.182 ( -3.114 -0.000 1.719) 3.557 26.320 ( 6.774 0.000 -0.635) 6.803 26.929 ( -1.806 -0.000 -4.293) 4.658 26.963 ( -0.123 -0.000 -1.867) 1.871 27.034 ( 1.360 0.000 -6.018) 6.169 27.037 ( -0.632 -0.000 8.119) 8.143 28.732 ( 2.815 0.000 -5.754) 6.406 28.749 ( 2.134 0.000 6.121) 6.482 30.179 ( -16.008 -0.000 1.178) 16.051 30.302 ( -10.515 -0.000 1.897) 10.685 ======================= Grid point 259 (122/140) ======================= q-point: ( 0.22 0.11 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 243 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.390 ( 0.370 -0.373 -5.738) 5.762 1.484 ( -5.844 -3.688 3.513) 7.752 1.678 ( 3.906 -3.803 17.123) 17.970 1.966 ( 7.195 -4.683 -13.183) 15.732 2.026 ( 2.057 -8.936 10.687) 14.082 2.237 ( 8.650 -4.421 -17.174) 19.731 2.649 ( -7.772 5.782 -0.787) 9.719 2.682 ( -8.495 -0.664 1.909) 8.732 3.001 ( -6.398 -6.470 -0.173) 9.101 3.160 ( 2.386 1.678 -6.330) 6.970 3.339 ( -5.952 1.780 3.430) 7.096 3.414 ( -5.300 5.442 -6.158) 9.779 3.706 ( 2.356 -0.777 7.081) 7.503 3.730 ( 3.901 -6.795 -13.148) 15.305 3.776 ( 0.135 3.864 5.118) 6.415 4.160 ( 4.284 1.276 5.573) 7.144 4.263 ( -2.654 -4.528 2.540) 5.831 4.315 ( -5.417 -8.213 -5.859) 11.451 4.492 ( 0.989 -8.357 5.651) 10.137 4.572 ( 4.879 -7.748 3.520) 9.810 4.923 ( 3.643 2.152 1.787) 4.593 5.089 ( 7.826 -4.273 -4.156) 9.837 5.523 ( 3.810 1.760 -3.925) 5.746 5.651 ( 7.562 -4.131 -3.318) 9.234 6.020 ( -3.608 4.912 5.366) 8.120 6.163 ( -1.161 4.353 5.577) 7.169 6.228 ( 1.318 6.316 -4.434) 7.829 6.353 ( 0.820 8.247 1.605) 8.442 6.407 ( 0.419 1.754 1.065) 2.094 6.569 ( 5.275 -5.670 1.143) 7.828 6.636 ( 4.884 -5.776 -0.730) 7.599 6.751 ( 8.955 7.496 -1.842) 11.822 6.886 ( -1.560 -8.056 5.024) 9.622 7.123 ( 3.718 -2.791 -2.234) 5.158 7.223 ( 4.081 -6.935 -0.321) 8.053 7.423 ( -2.384 3.329 3.969) 5.703 7.520 ( 6.898 1.087 -6.376) 9.456 7.599 ( 2.129 1.214 -0.350) 2.476 7.755 ( -0.844 -5.488 -9.766) 11.234 7.860 ( 0.668 -4.159 8.073) 9.106 8.217 ( -7.681 1.976 3.823) 8.805 8.286 ( -3.509 0.051 -3.683) 5.088 8.574 ( -2.014 1.561 1.883) 3.169 8.835 ( 7.246 -1.801 -1.935) 7.714 9.266 ( -4.008 7.626 1.734) 8.788 9.384 ( -0.963 1.629 0.367) 1.928 9.735 ( -13.418 8.183 -5.406) 16.620 9.983 ( -10.695 0.336 6.915) 12.740 10.933 ( -8.590 0.526 -9.578) 12.877 11.119 ( -8.219 -1.379 6.457) 10.542 11.732 ( 3.325 4.638 19.411) 20.232 11.876 ( 9.582 3.269 -18.004) 20.656 12.345 ( 1.513 3.955 -0.838) 4.316 12.598 ( 5.286 1.496 1.844) 5.795 13.018 ( -9.552 -6.251 10.231) 15.329 13.228 ( -0.312 -3.115 -17.461) 17.740 13.634 ( 2.536 4.954 0.321) 5.575 13.817 ( 3.919 5.515 6.497) 9.380 14.172 ( 7.373 1.131 -1.531) 7.615 14.301 ( 10.356 -3.063 0.082) 10.800 15.120 ( 1.045 0.775 -4.031) 4.235 15.171 ( 2.756 -0.909 3.230) 4.342 15.753 ( -6.478 -0.200 -8.762) 10.898 15.875 ( -7.525 1.354 4.717) 8.984 16.338 ( 2.086 -1.569 -6.366) 6.880 16.508 ( 2.172 0.234 14.838) 14.998 16.652 ( -7.980 0.696 -0.856) 8.056 16.875 ( -2.333 1.082 -1.976) 3.243 24.363 ( -1.719 0.648 -0.175) 1.846 24.473 ( 1.280 -0.281 0.734) 1.502 24.507 ( -2.211 -0.150 -1.301) 2.569 24.623 ( 0.671 -0.455 0.560) 0.985 25.919 ( 4.408 3.231 -1.107) 5.576 25.974 ( 5.487 0.473 2.942) 6.244 26.165 ( -1.835 -0.260 1.604) 2.451 26.375 ( 7.892 0.937 -2.335) 8.283 26.916 ( -2.787 -2.045 0.573) 3.504 26.995 ( -0.054 -3.752 -2.976) 4.789 27.049 ( -0.646 -2.969 2.391) 3.867 27.122 ( 1.477 -6.276 -3.935) 7.553 28.754 ( 3.710 -0.172 -4.495) 5.831 28.786 ( 3.608 -0.849 4.946) 6.181 29.976 ( -17.457 7.011 4.295) 19.296 30.122 ( -13.743 8.073 -1.608) 16.019 ======================= Grid point 260 (123/140) ======================= q-point: ( 0.33 0.11 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 243 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.422 ( 1.550 -2.697 -1.435) 3.426 1.560 ( 2.658 -4.945 1.698) 5.865 1.815 ( -2.058 -7.632 13.215) 15.399 2.061 ( 2.828 -1.742 -7.230) 7.956 2.193 ( 5.955 -5.467 2.329) 8.412 2.373 ( 4.875 -7.020 -12.064) 14.785 2.577 ( -2.511 -3.948 -9.001) 10.145 2.690 ( -4.909 -5.914 6.709) 10.203 3.025 ( -6.282 -1.647 0.601) 6.522 3.104 ( -1.548 3.566 -6.068) 7.207 3.276 ( -3.863 3.722 -3.465) 6.386 3.306 ( -4.252 -0.669 3.923) 5.824 3.682 ( 0.812 3.912 8.609) 9.491 3.721 ( 3.748 4.801 4.484) 7.564 3.908 ( 0.380 -9.502 -17.705) 20.098 4.182 ( -0.909 0.417 6.980) 7.052 4.310 ( -0.643 -4.758 1.922) 5.172 4.493 ( 2.183 -13.224 -2.774) 13.687 4.669 ( -0.605 -10.854 0.600) 10.887 4.754 ( 0.968 -9.907 4.810) 11.055 4.950 ( 3.445 -2.243 0.285) 4.121 5.230 ( 6.057 -4.817 0.283) 7.744 5.524 ( 3.340 0.444 -2.640) 4.280 5.777 ( 4.098 -4.120 -2.628) 6.377 5.915 ( -1.842 4.307 3.836) 6.055 6.021 ( -4.487 8.492 4.423) 10.575 6.142 ( 4.146 6.578 -7.822) 11.029 6.198 ( 1.506 8.166 0.211) 8.307 6.414 ( 2.361 0.830 7.102) 7.530 6.597 ( 5.602 6.089 -0.142) 8.275 6.771 ( 2.424 -5.318 -0.466) 5.863 6.805 ( 6.736 -4.315 -0.770) 8.036 6.952 ( -1.639 -0.586 4.393) 4.725 7.154 ( 0.912 -1.693 -0.816) 2.089 7.374 ( -0.581 0.477 3.736) 3.811 7.438 ( 6.614 -7.889 -5.566) 11.703 7.533 ( 3.962 0.120 -3.764) 5.466 7.607 ( 0.406 -0.108 2.001) 2.045 7.794 ( 0.003 -0.338 -11.770) 11.775 7.960 ( 2.735 -4.388 9.604) 10.908 8.121 ( -9.016 1.117 -0.621) 9.106 8.247 ( -3.497 0.847 -0.093) 3.600 8.546 ( -1.958 -0.125 4.261) 4.691 8.886 ( 4.172 2.483 -2.361) 5.398 9.096 ( -0.903 8.012 1.889) 8.281 9.329 ( -0.115 5.681 1.540) 5.887 9.503 ( -11.698 2.909 -5.120) 13.097 9.900 ( -7.594 1.705 2.911) 8.309 10.834 ( -7.961 1.945 -7.069) 10.823 11.107 ( -9.145 -4.504 3.898) 10.914 11.668 ( 5.917 8.194 11.270) 15.139 11.855 ( 6.772 4.341 -9.294) 12.291 12.262 ( 2.577 7.102 -0.178) 7.557 12.619 ( 3.350 0.982 0.666) 3.554 13.059 ( -9.088 -4.785 5.807) 11.799 13.217 ( -3.394 0.249 -10.567) 11.102 13.600 ( 4.343 1.698 1.636) 4.942 13.773 ( 3.278 2.391 3.090) 5.100 14.179 ( 7.479 4.132 -0.276) 8.549 14.484 ( 12.311 -6.272 -0.912) 13.846 15.099 ( 0.383 1.851 -3.294) 3.798 15.216 ( 4.004 -0.681 2.525) 4.783 15.691 ( -6.628 0.349 -7.782) 10.227 15.781 ( -8.819 2.251 4.580) 10.189 16.372 ( 1.000 -1.269 -4.399) 4.686 16.513 ( -2.744 0.381 8.546) 8.984 16.611 ( -1.756 -0.489 6.186) 6.449 16.832 ( -1.285 1.559 -6.325) 6.640 24.341 ( -0.932 0.647 -0.180) 1.149 24.481 ( -2.453 -0.825 -0.483) 2.633 24.503 ( 1.661 0.027 0.248) 1.680 24.632 ( -0.170 -0.211 0.467) 0.541 25.887 ( 2.653 3.113 -0.758) 4.160 25.990 ( 2.907 1.751 2.321) 4.111 26.167 ( 0.431 -0.173 2.411) 2.455 26.380 ( 5.801 4.404 -4.467) 8.544 26.973 ( -2.365 -5.982 5.573) 8.511 27.070 ( -1.463 -5.380 -3.474) 6.569 27.118 ( 0.243 -4.252 6.467) 7.743 27.238 ( 1.915 -5.747 -10.143) 11.814 28.786 ( 4.086 -0.343 -2.923) 5.036 28.842 ( 4.646 -1.175 3.265) 5.799 29.715 ( -14.624 7.813 5.487) 17.465 29.858 ( -11.945 8.804 -3.838) 15.327 ======================= Grid point 261 (124/140) ======================= q-point: ( 0.44 0.11 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 243 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.501 ( 2.841 -4.567 -0.573) 5.410 1.666 ( 3.627 -3.291 1.180) 5.038 1.873 ( -3.415 0.278 5.880) 6.805 2.082 ( -3.648 -2.825 1.996) 5.027 2.365 ( 8.680 -7.643 -3.110) 11.976 2.506 ( 3.428 -5.213 -11.302) 12.910 2.662 ( -2.693 -6.657 -6.645) 9.784 2.793 ( -1.360 -5.880 7.705) 9.787 2.978 ( -5.786 0.726 3.528) 6.815 3.032 ( 1.485 2.339 -7.949) 8.418 3.199 ( 0.437 3.679 -1.321) 3.933 3.312 ( -2.374 -1.930 5.182) 6.018 3.596 ( -3.603 3.811 4.316) 6.792 3.718 ( 9.216 2.347 -3.578) 10.161 3.946 ( -10.335 -1.132 -3.401) 10.939 4.151 ( -1.723 1.271 4.802) 5.258 4.428 ( 5.252 -4.328 2.437) 7.229 4.781 ( 6.121 -15.338 -2.769) 16.745 4.842 ( -2.379 -10.225 -1.169) 10.563 4.960 ( 0.208 -11.884 -0.759) 11.910 5.040 ( 1.750 -5.273 -1.216) 5.687 5.300 ( -0.687 -0.045 5.107) 5.153 5.579 ( 5.082 -2.848 -2.250) 6.245 5.782 ( -5.401 2.502 3.710) 7.014 5.850 ( 1.898 5.973 -2.601) 6.786 5.896 ( 1.359 2.982 4.412) 5.496 6.035 ( 0.302 4.464 -0.970) 4.578 6.117 ( 4.703 5.300 -6.462) 9.590 6.404 ( 3.236 4.190 5.085) 7.341 6.531 ( 2.118 4.498 2.624) 5.621 6.843 ( -3.671 -3.306 4.336) 6.573 6.889 ( 2.159 -0.486 -0.748) 2.336 6.966 ( 0.731 -2.419 -1.877) 3.147 7.145 ( -0.223 2.583 -6.141) 6.666 7.400 ( 0.571 -1.148 6.019) 6.154 7.480 ( 2.197 2.417 -2.614) 4.183 7.612 ( 0.540 -0.872 2.686) 2.875 7.653 ( 3.412 -6.137 -3.626) 7.903 7.777 ( 3.240 0.934 -9.370) 9.959 8.004 ( -6.279 1.061 -0.579) 6.394 8.094 ( 2.427 -3.273 5.053) 6.491 8.213 ( -1.301 0.909 3.200) 3.572 8.555 ( -2.064 -1.813 4.266) 5.074 8.801 ( -2.446 5.950 -3.147) 7.162 9.002 ( 2.761 4.620 -1.694) 5.643 9.211 ( -0.710 5.630 4.440) 7.206 9.452 ( -3.914 -2.311 -3.894) 5.985 9.814 ( -5.755 1.787 0.948) 6.100 10.745 ( -3.957 1.277 -4.126) 5.858 11.129 ( -10.360 -6.232 2.403) 12.326 11.593 ( 8.391 7.534 3.837) 11.912 11.822 ( 3.609 3.305 -3.288) 5.896 12.156 ( 3.075 7.060 0.250) 7.705 12.591 ( -1.917 3.235 0.504) 3.794 13.050 ( -3.359 -0.756 -1.810) 3.890 13.183 ( -3.644 -0.727 1.400) 3.970 13.634 ( 4.124 -1.149 -2.669) 5.045 13.793 ( 0.845 -1.541 2.668) 3.194 14.160 ( 8.076 5.031 0.435) 9.525 14.668 ( 7.022 -4.663 -0.378) 8.438 15.060 ( 0.423 2.221 -1.892) 2.948 15.256 ( 3.771 0.344 1.227) 3.980 15.612 ( -6.875 1.173 -6.156) 9.303 15.695 ( -6.127 0.602 4.152) 7.426 16.389 ( 0.307 -0.895 -3.550) 3.674 16.496 ( -3.472 -0.640 6.340) 7.257 16.633 ( 1.178 -0.797 6.110) 6.274 16.787 ( -0.392 1.861 -6.837) 7.097 24.328 ( 0.076 0.330 -0.162) 0.375 24.471 ( -3.186 -0.842 -0.186) 3.300 24.521 ( 2.417 0.014 0.172) 2.423 24.630 ( -0.687 -0.046 0.297) 0.750 25.858 ( 1.784 2.104 -0.113) 2.760 25.974 ( 0.345 1.495 0.712) 1.692 26.178 ( 1.269 0.051 2.684) 2.969 26.322 ( 2.758 5.014 -3.962) 6.960 27.070 ( -0.917 -5.456 2.449) 6.050 27.137 ( -2.910 -4.456 0.222) 5.326 27.205 ( 1.108 -3.526 10.311) 10.954 27.316 ( 1.835 -2.959 -13.568) 14.008 28.819 ( 3.580 -0.076 -1.611) 3.927 28.896 ( 3.771 -0.321 1.745) 4.168 29.517 ( -9.000 4.067 4.429) 10.824 29.651 ( -7.915 4.782 -3.432) 9.864 ======================= Grid point 262 (125/140) ======================= q-point: ( 0.56 0.11 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 243 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.603 ( 2.617 -2.498 0.769) 3.699 1.706 ( 0.398 0.913 -1.320) 1.654 1.829 ( 1.551 1.107 1.063) 2.181 2.112 ( -5.293 -3.975 3.372) 7.429 2.503 ( -0.421 -0.745 -3.583) 3.684 2.534 ( -1.981 2.502 -1.708) 3.620 2.739 ( -0.303 -6.565 -4.622) 8.035 2.868 ( 3.968 -2.569 3.848) 6.095 2.979 ( -1.196 -4.762 -0.372) 4.924 3.034 ( 2.855 1.163 -4.057) 5.096 3.114 ( 1.007 7.674 2.805) 8.233 3.325 ( -0.983 -1.329 2.113) 2.682 3.562 ( -2.221 -1.904 2.467) 3.827 3.719 ( 4.255 5.358 -5.219) 8.606 3.894 ( -3.838 -4.046 0.746) 5.627 4.132 ( -3.968 -1.412 2.387) 4.842 4.506 ( 6.649 1.790 4.182) 8.056 4.930 ( -6.569 -3.269 -4.521) 8.618 5.049 ( 0.157 -3.911 2.492) 4.640 5.087 ( 1.202 -6.667 -1.897) 7.035 5.137 ( 3.925 -1.968 -4.583) 6.347 5.311 ( -1.470 -3.509 4.546) 5.928 5.639 ( 2.825 0.631 -1.090) 3.093 5.709 ( -0.671 1.422 -0.185) 1.583 5.801 ( 0.403 0.968 2.805) 2.995 5.844 ( 2.234 3.493 1.059) 4.279 5.995 ( 0.861 1.807 0.288) 2.022 6.074 ( 2.646 1.919 -4.426) 5.503 6.335 ( 2.742 6.006 2.072) 6.920 6.484 ( -2.308 1.491 2.005) 3.401 6.858 ( -7.722 -3.596 3.378) 9.164 6.884 ( -3.019 -0.035 -1.104) 3.215 6.989 ( 0.374 1.004 0.078) 1.074 7.092 ( 1.428 2.111 -7.295) 7.727 7.425 ( 1.871 -1.725 3.419) 4.262 7.455 ( 2.188 2.004 -1.515) 3.332 7.638 ( -0.282 0.770 11.047) 11.078 7.707 ( -0.423 -0.431 -8.323) 8.344 7.808 ( 4.742 0.448 -2.084) 5.199 7.939 ( -5.886 -0.711 -5.322) 7.967 8.166 ( 3.335 -0.256 6.562) 7.365 8.225 ( 5.505 -1.300 1.088) 5.760 8.566 ( -2.798 -0.838 -2.362) 3.756 8.694 ( -5.078 1.338 1.577) 5.483 8.962 ( 3.274 2.460 -5.093) 6.536 9.138 ( -1.557 2.653 5.116) 5.970 9.485 ( 1.962 -2.917 -0.267) 3.526 9.764 ( -4.747 -1.037 -0.170) 4.862 10.742 ( 2.900 -2.091 -2.055) 4.123 11.156 ( -11.502 -6.620 1.717) 13.382 11.545 ( 9.287 6.743 -0.645) 11.495 11.783 ( -0.610 2.744 0.399) 2.839 12.090 ( 4.639 3.302 -0.560) 5.722 12.499 ( -7.091 2.149 0.054) 7.410 13.059 ( 1.631 -1.325 1.978) 2.886 13.185 ( -1.920 -1.782 -0.839) 2.751 13.675 ( 3.225 -0.152 -3.632) 4.860 13.818 ( -1.609 -0.844 2.178) 2.836 14.139 ( 8.550 4.934 0.893) 9.912 14.697 ( -6.124 2.513 -0.061) 6.620 15.052 ( 3.594 0.321 1.476) 3.898 15.243 ( -0.936 2.564 -1.946) 3.353 15.588 ( -0.239 -3.261 -1.858) 3.761 15.677 ( -2.253 -1.944 1.401) 3.290 16.406 ( 1.019 -0.816 -2.552) 2.867 16.493 ( -2.647 -0.856 4.843) 5.586 16.659 ( 1.887 -0.160 0.249) 1.910 16.751 ( -0.735 0.952 -1.912) 2.259 24.330 ( 1.168 -0.043 -0.050) 1.170 24.459 ( -3.230 -0.684 0.069) 3.302 24.539 ( 2.391 0.127 -0.000) 2.394 24.625 ( -0.926 -0.161 0.029) 0.940 25.842 ( 1.472 1.212 0.070) 1.908 25.950 ( -1.354 0.868 0.089) 1.611 26.191 ( 0.828 -0.208 2.083) 2.251 26.257 ( 0.847 3.337 -2.522) 4.267 27.139 ( -0.080 -2.484 0.006) 2.485 27.178 ( -1.865 -2.379 -0.341) 3.042 27.266 ( 0.850 -1.004 9.211) 9.304 27.340 ( 0.776 -0.365 -9.000) 9.041 28.831 ( 1.773 1.242 -0.357) 2.194 28.901 ( 0.206 1.794 0.451) 1.862 29.461 ( -1.154 -2.102 1.495) 2.826 29.573 ( -3.299 -1.372 -1.242) 3.782 ======================= Grid point 263 (126/140) ======================= q-point: (-0.33 0.11 0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 243 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.579 ( 0.753 5.094 3.016) 5.967 1.648 ( -2.231 4.301 -3.389) 5.913 1.922 ( 7.162 -5.859 -2.040) 9.475 2.136 ( -3.928 -2.632 1.169) 4.871 2.354 ( -2.565 10.739 -6.999) 13.072 2.451 ( -8.183 4.265 10.004) 13.609 2.867 ( 2.662 -2.159 1.540) 3.758 2.911 ( 2.748 4.572 0.170) 5.337 2.962 ( -1.305 2.323 0.188) 2.671 2.982 ( -1.896 2.080 -2.218) 3.583 3.147 ( 7.853 -8.592 -1.898) 11.794 3.379 ( -0.377 -4.118 -1.184) 4.302 3.560 ( -0.491 1.405 0.120) 1.493 3.647 ( -1.053 2.087 1.839) 2.974 4.019 ( 2.962 -8.204 -0.118) 8.723 4.147 ( -3.296 -3.413 -1.058) 4.861 4.477 ( 5.866 7.661 6.117) 11.424 4.783 ( -9.454 10.120 -6.511) 15.303 5.030 ( 0.464 3.416 -1.040) 3.601 5.093 ( -3.522 3.125 6.855) 8.317 5.204 ( 6.209 4.510 -5.512) 9.449 5.297 ( -1.532 4.997 2.646) 5.858 5.602 ( 1.756 5.163 2.111) 5.848 5.709 ( -2.277 -2.200 -4.544) 5.538 5.830 ( 1.338 -3.250 1.203) 3.715 5.883 ( 4.281 -4.646 -2.929) 6.964 5.986 ( -0.820 -0.430 1.844) 2.063 6.069 ( 1.759 0.233 -0.403) 1.819 6.283 ( 1.334 1.255 2.564) 3.151 6.434 ( -4.702 0.986 -2.283) 5.319 6.836 ( -4.296 0.619 -1.080) 4.473 6.861 ( -5.948 -1.253 2.285) 6.494 6.993 ( 1.589 -1.093 -4.122) 4.551 7.059 ( -0.887 1.232 0.927) 1.778 7.435 ( 5.536 2.622 -6.774) 9.133 7.528 ( 2.580 -5.079 8.544) 10.269 7.586 ( -4.329 3.857 11.492) 12.872 7.675 ( -2.481 1.729 -5.451) 6.234 7.788 ( 2.746 4.197 -0.468) 5.037 7.897 ( -5.055 0.323 -5.607) 7.556 8.229 ( 6.044 -2.093 5.606) 8.505 8.300 ( 6.291 -0.753 -1.204) 6.449 8.545 ( -1.030 -0.860 -8.485) 8.591 8.682 ( -7.018 -3.643 5.952) 9.897 8.959 ( 4.229 -0.089 -4.332) 6.055 9.108 ( -3.734 -1.352 2.376) 4.628 9.583 ( 6.262 -3.872 3.411) 8.114 9.777 ( -3.528 -4.158 -1.703) 5.712 10.855 ( 8.469 -5.339 0.122) 10.013 11.186 ( -11.217 -7.202 -0.186) 13.331 11.496 ( 8.597 6.535 -2.089) 10.999 11.710 ( -5.244 2.942 2.492) 6.509 12.125 ( 7.018 -1.905 -1.640) 7.454 12.430 ( -9.741 -1.985 0.313) 9.946 13.125 ( 3.083 -3.272 8.148) 9.306 13.209 ( 0.192 -2.349 -7.229) 7.604 13.674 ( 3.222 2.883 -2.975) 5.248 13.789 ( -3.340 2.311 1.738) 4.418 14.130 ( 8.178 3.824 0.741) 9.059 14.522 ( -13.125 7.031 0.491) 14.898 15.082 ( 2.596 -0.037 3.303) 4.201 15.180 ( -2.869 1.744 -3.406) 4.782 15.689 ( 3.050 -5.476 2.280) 6.670 15.726 ( 1.041 -4.057 -2.129) 4.698 16.422 ( 1.521 0.158 0.299) 1.558 16.488 ( -2.200 -0.289 0.823) 2.367 16.671 ( 3.700 0.330 -7.739) 8.584 16.747 ( -2.331 -1.624 6.328) 6.936 24.347 ( 2.101 -0.315 0.100) 2.127 24.442 ( -3.348 -0.409 -0.020) 3.373 24.556 ( 2.562 0.158 0.242) 2.579 24.621 ( -1.196 -0.277 -0.359) 1.279 25.839 ( 1.506 0.574 0.130) 1.617 25.923 ( -2.672 0.437 -0.341) 2.729 26.198 ( 0.841 0.534 0.100) 1.001 26.226 ( -0.824 -0.168 0.200) 0.864 27.149 ( -0.200 1.567 5.538) 5.758 27.185 ( -0.371 0.396 -8.704) 8.721 27.269 ( 2.900 2.322 -3.616) 5.184 27.330 ( -2.196 0.822 7.001) 7.383 28.806 ( 0.212 2.284 0.737) 2.409 28.850 ( -2.057 2.697 -0.714) 3.466 29.562 ( 4.331 -7.530 -1.610) 8.835 29.638 ( -0.198 -7.408 1.285) 7.522 ======================= Grid point 264 (127/140) ======================= q-point: (-0.22 0.11 0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 243 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.499 ( 1.466 4.934 2.482) 5.715 1.537 ( -2.626 4.900 -2.979) 6.307 2.068 ( 5.154 -2.285 1.773) 5.910 2.131 ( -2.379 8.715 -6.066) 10.882 2.137 ( 5.746 4.812 -6.687) 10.044 2.295 ( -12.556 4.229 11.806) 17.746 2.755 ( 0.471 7.959 14.348) 16.414 2.793 ( -0.101 6.831 -13.259) 14.915 3.034 ( 0.020 -4.677 2.451) 5.280 3.040 ( -0.025 -6.046 -1.349) 6.195 3.336 ( 7.474 -4.560 -2.794) 9.190 3.415 ( -1.108 -0.517 -0.417) 1.292 3.562 ( 2.589 -1.999 0.553) 3.317 3.632 ( -3.784 -2.468 0.559) 4.553 4.153 ( 1.266 -1.717 -4.291) 4.792 4.160 ( -0.227 2.280 7.317) 7.668 4.387 ( 4.450 5.390 3.175) 7.676 4.501 ( -7.500 10.620 -6.615) 14.588 4.919 ( 0.523 12.182 7.127) 14.124 4.943 ( -0.615 10.712 -4.879) 11.787 5.093 ( 3.748 8.616 0.318) 9.401 5.168 ( -5.188 6.339 -1.923) 8.414 5.548 ( 4.725 3.916 2.562) 6.650 5.659 ( -7.725 2.871 -1.930) 8.464 5.921 ( 4.388 -4.044 -4.767) 7.637 5.986 ( -5.279 -3.433 6.021) 8.713 6.040 ( 7.244 -6.118 -3.208) 10.010 6.108 ( -0.969 -4.382 -0.078) 4.489 6.320 ( 1.438 -2.946 4.912) 5.905 6.386 ( -4.726 -1.036 -4.672) 6.726 6.780 ( -1.134 3.596 1.309) 3.991 6.807 ( -3.768 3.940 -1.175) 5.577 7.014 ( 5.213 -1.070 -8.520) 10.045 7.077 ( -4.795 -3.663 8.396) 10.339 7.412 ( 4.067 4.570 -7.497) 9.676 7.461 ( -4.147 6.853 8.142) 11.422 7.583 ( -0.757 4.390 2.753) 5.237 7.595 ( -0.957 2.726 -1.473) 3.243 7.793 ( 2.474 -2.899 7.782) 8.666 7.862 ( -3.749 -1.739 -8.438) 9.395 8.304 ( 4.184 -0.214 5.098) 6.599 8.332 ( 2.423 0.651 -3.148) 4.026 8.588 ( 4.741 -2.707 -5.171) 7.520 8.690 ( -8.127 -3.328 2.662) 9.177 9.047 ( 5.863 -5.878 -2.233) 8.597 9.138 ( -5.534 -6.055 1.472) 8.334 9.717 ( 8.597 -4.576 4.472) 10.716 9.835 ( -4.508 -5.996 -3.409) 8.240 11.034 ( 10.796 -5.007 3.939) 12.536 11.208 ( -9.076 -3.782 -4.829) 10.955 11.490 ( 7.987 -0.041 -2.104) 8.259 11.625 ( -9.026 -0.299 3.495) 9.684 12.243 ( 8.804 -3.830 -2.072) 9.822 12.400 ( -10.669 -3.266 1.514) 11.260 13.229 ( 1.891 -4.390 12.313) 13.208 13.256 ( 1.902 -3.140 -12.057) 12.604 13.624 ( 3.938 5.269 -1.910) 6.850 13.694 ( -4.737 4.592 1.321) 6.728 14.137 ( 7.064 2.514 -0.108) 7.499 14.296 ( -12.441 6.085 0.902) 13.879 15.102 ( 1.326 -0.236 3.282) 3.548 15.138 ( -2.301 0.368 -3.282) 4.025 15.795 ( 2.021 -3.796 7.572) 8.708 15.816 ( 1.627 -4.782 -7.248) 8.835 16.421 ( 1.248 1.574 5.732) 6.073 16.462 ( -2.100 1.018 -6.122) 6.552 16.711 ( 5.736 -1.775 -6.837) 9.100 16.774 ( -3.816 -3.038 6.641) 8.240 24.373 ( 2.655 -0.487 0.237) 2.710 24.422 ( -3.225 -0.340 -0.238) 3.252 24.574 ( 2.704 0.207 0.768) 2.819 24.612 ( -1.739 -0.056 -0.804) 1.917 25.846 ( 1.787 0.108 0.458) 1.848 25.892 ( -3.386 0.229 -0.882) 3.507 26.200 ( 1.846 -0.058 -0.618) 1.948 26.232 ( -2.526 -1.455 1.249) 3.171 27.102 ( 1.032 4.435 2.834) 5.363 27.129 ( -1.244 4.037 -4.990) 6.538 27.240 ( 4.285 3.601 -8.394) 10.089 27.283 ( -3.773 3.243 10.843) 11.930 28.768 ( 0.049 2.043 1.701) 2.659 28.788 ( -1.858 2.246 -1.763) 3.406 29.771 ( 5.699 -11.737 -2.655) 13.314 29.813 ( -0.115 -12.053 2.218) 12.256 ======================= Grid point 265 (128/140) ======================= q-point: (-0.11 0.11 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.451 ( -1.061 2.159 -6.366) 6.806 1.451 ( 1.061 2.159 6.366) 6.806 1.951 ( 8.092 10.032 -18.868) 22.850 1.951 ( -8.092 10.032 18.868) 22.850 2.168 ( 4.885 4.081 -7.011) 9.470 2.168 ( -4.885 4.081 7.011) 9.470 2.709 ( -2.087 -0.390 -7.583) 7.875 2.709 ( 2.087 -0.390 7.583) 7.875 3.106 ( 0.671 -1.824 -3.600) 4.091 3.106 ( -0.671 -1.824 3.600) 4.091 3.403 ( 2.333 -0.978 -8.350) 8.724 3.403 ( -2.333 -0.978 8.350) 8.724 3.668 ( -3.233 -4.494 -6.723) 8.709 3.668 ( 3.233 -4.494 6.723) 8.709 4.031 ( -3.862 10.575 -19.691) 22.682 4.031 ( 3.862 10.575 19.691) 22.682 4.398 ( 1.773 -0.821 -5.251) 5.602 4.398 ( -1.773 -0.821 5.251) 5.602 4.691 ( -0.266 14.808 -18.773) 23.912 4.691 ( 0.266 14.808 18.773) 23.912 5.011 ( 1.493 5.893 -9.355) 11.157 5.011 ( -1.493 5.893 9.355) 11.157 5.537 ( -2.021 2.912 -7.437) 8.238 5.537 ( 2.021 2.912 7.437) 8.238 6.015 ( 2.348 -3.806 -6.968) 8.279 6.015 ( -2.348 -3.806 6.968) 8.279 6.196 ( -0.881 -6.717 -4.745) 8.271 6.196 ( 0.881 -6.717 4.745) 8.271 6.402 ( -0.302 -4.495 -5.862) 7.393 6.402 ( 0.302 -4.495 5.862) 7.393 6.685 ( -0.736 7.037 -1.226) 7.181 6.685 ( 0.736 7.037 1.226) 7.181 7.084 ( 5.359 0.152 -8.037) 9.661 7.084 ( -5.359 0.152 8.037) 9.661 7.317 ( 1.358 5.782 -7.180) 9.318 7.317 ( -1.358 5.782 7.180) 9.318 7.530 ( 0.914 1.958 -2.816) 3.550 7.530 ( -0.914 1.958 2.816) 3.550 7.857 ( -0.340 0.023 -10.776) 10.782 7.857 ( 0.340 0.023 10.776) 10.782 8.320 ( 1.391 0.609 -3.795) 4.087 8.320 ( -1.391 0.609 3.795) 4.087 8.671 ( -5.482 -1.211 -1.022) 5.706 8.671 ( 5.482 -1.211 1.022) 5.706 9.226 ( -0.402 -8.393 -3.892) 9.260 9.226 ( 0.402 -8.393 3.892) 9.260 9.896 ( -7.505 -7.281 -5.909) 12.010 9.896 ( 7.505 -7.281 5.909) 12.010 11.160 ( -6.539 0.228 -8.281) 10.554 11.160 ( 6.539 0.228 8.281) 10.554 11.616 ( 5.748 -5.989 -14.075) 16.340 11.616 ( -5.748 -5.989 14.075) 16.340 12.373 ( -7.983 -2.873 0.993) 8.542 12.373 ( 7.983 -2.873 -0.993) 8.542 13.284 ( 4.548 1.887 -18.468) 19.113 13.284 ( -4.548 1.887 18.468) 19.113 13.601 ( -5.036 -0.590 -2.283) 5.561 13.601 ( 5.036 -0.590 2.283) 5.561 14.150 ( -5.971 1.998 0.830) 6.351 14.150 ( 5.971 1.998 -0.830) 6.351 15.120 ( -0.980 -0.237 -3.462) 3.606 15.120 ( 0.980 -0.237 3.462) 3.606 15.875 ( -1.364 -2.651 -8.704) 9.201 15.875 ( 1.364 -2.651 8.704) 9.201 16.409 ( -1.366 1.914 -12.615) 12.832 16.409 ( 1.366 1.914 12.615) 12.832 16.797 ( 1.422 -3.053 -6.684) 7.484 16.797 ( -1.422 -3.053 6.684) 7.484 24.405 ( -2.340 -0.591 -0.702) 2.513 24.405 ( 2.340 -0.591 0.702) 2.513 24.591 ( -2.312 0.452 -1.370) 2.725 24.591 ( 2.312 0.452 1.370) 2.725 25.865 ( -0.966 -0.172 -2.789) 2.957 25.865 ( 0.966 -0.172 2.789) 2.957 26.229 ( -1.661 -0.756 -0.723) 1.963 26.229 ( 1.661 -0.756 0.723) 1.963 27.033 ( 1.005 4.644 -6.427) 7.992 27.033 ( -1.005 4.644 6.427) 7.992 27.185 ( 3.170 5.465 -9.804) 11.663 27.185 ( -3.170 5.465 9.804) 11.663 28.744 ( -0.163 1.373 -3.993) 4.226 28.744 ( 0.163 1.373 3.993) 4.226 30.035 ( 0.971 -13.859 -6.920) 15.521 30.035 ( -0.971 -13.859 6.920) 15.521 ======================= Grid point 269 (129/140) ======================= q-point: ( 0.22 0.22 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 135 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.359 ( -8.512 -0.000 6.890) 10.951 1.391 ( 1.381 0.000 -5.770) 5.933 1.779 ( 13.584 0.000 7.940) 15.735 1.952 ( 3.986 0.000 17.074) 17.533 1.970 ( 6.978 0.000 -15.445) 16.948 2.238 ( 6.355 0.000 -20.544) 21.505 2.591 ( -11.217 -0.000 2.681) 11.533 2.643 ( -14.103 -0.000 2.712) 14.361 2.857 ( -6.398 -0.000 -1.729) 6.628 3.183 ( -0.240 -0.000 -6.368) 6.372 3.302 ( -6.746 -0.000 1.856) 6.997 3.416 ( -9.478 -0.000 -0.749) 9.507 3.665 ( 10.614 0.000 -32.928) 34.596 3.758 ( -0.535 -0.000 30.014) 30.019 3.825 ( 2.677 0.000 1.205) 2.936 4.170 ( -5.540 -0.000 3.233) 6.415 4.203 ( -2.696 -0.000 -5.174) 5.834 4.247 ( 6.113 0.000 3.192) 6.896 4.422 ( 1.598 0.000 7.101) 7.279 4.548 ( 5.363 0.000 1.066) 5.468 5.006 ( 5.940 0.000 1.653) 6.166 5.091 ( 6.567 0.000 -3.274) 7.338 5.566 ( 2.404 0.000 -6.340) 6.780 5.657 ( 6.099 0.000 -4.084) 7.340 6.059 ( -2.469 -0.000 6.774) 7.210 6.179 ( -3.344 -0.000 6.799) 7.577 6.330 ( 5.245 0.000 -2.480) 5.802 6.437 ( 2.648 0.000 -11.810) 12.103 6.446 ( 0.048 0.000 8.132) 8.132 6.516 ( 2.887 0.000 -1.293) 3.163 6.682 ( 11.298 0.000 8.845) 14.349 6.761 ( 0.293 0.000 1.589) 1.616 6.938 ( 7.475 0.000 -1.113) 7.557 7.123 ( 12.590 0.000 -7.253) 14.529 7.185 ( -0.003 -0.000 3.667) 3.667 7.440 ( -4.209 -0.000 6.493) 7.738 7.580 ( 5.821 0.000 -4.536) 7.380 7.603 ( -2.465 -0.000 -2.382) 3.427 7.696 ( 3.963 0.000 -15.530) 16.028 7.828 ( 0.035 0.000 13.188) 13.188 8.175 ( -9.644 -0.000 4.387) 10.595 8.239 ( -5.488 -0.000 -4.893) 7.352 8.605 ( 2.173 0.000 4.449) 4.951 8.864 ( 7.476 0.000 -6.441) 9.868 9.319 ( -3.817 -0.000 6.759) 7.762 9.359 ( -5.039 -0.000 -3.210) 5.974 9.731 ( -9.520 -0.000 -5.207) 10.851 9.849 ( -18.512 -0.000 6.796) 19.720 10.863 ( -7.080 -0.000 -10.563) 12.716 11.041 ( -10.315 -0.000 8.265) 13.218 11.826 ( 4.138 0.000 21.937) 22.324 11.964 ( 9.759 0.000 -21.451) 23.566 12.399 ( 3.670 0.000 -1.643) 4.021 12.651 ( 2.808 0.000 4.241) 5.086 12.903 ( -8.001 -0.000 10.132) 12.910 13.166 ( -1.851 -0.000 -18.404) 18.497 13.713 ( 3.917 0.000 1.085) 4.065 13.899 ( 1.426 0.000 5.044) 5.241 14.267 ( 13.376 0.000 -0.761) 13.398 14.349 ( 8.973 0.000 0.286) 8.977 15.134 ( 1.713 0.000 -5.274) 5.545 15.187 ( 3.095 0.000 3.910) 4.987 15.686 ( -6.753 -0.000 -8.593) 10.929 15.818 ( -10.318 -0.000 2.829) 10.699 16.340 ( 2.648 0.000 -3.059) 4.046 16.529 ( -3.455 -0.000 10.785) 11.325 16.608 ( -2.646 -0.000 3.624) 4.487 16.850 ( -4.202 -0.000 -3.989) 5.794 24.356 ( -1.436 -0.000 -0.025) 1.436 24.460 ( -2.365 -0.000 -0.680) 2.461 24.507 ( 1.374 0.000 0.299) 1.406 24.623 ( 0.301 0.000 0.162) 0.342 25.985 ( 3.231 0.000 -6.152) 6.948 26.034 ( 5.850 0.000 7.066) 9.174 26.160 ( 1.369 0.000 5.921) 6.077 26.447 ( 9.310 0.000 -2.939) 9.762 26.882 ( -2.707 -0.000 -5.036) 5.717 26.948 ( -0.792 -0.000 -4.666) 4.733 27.043 ( 1.249 0.000 -5.080) 5.231 27.045 ( -0.687 -0.000 7.715) 7.746 28.784 ( 5.527 0.000 -6.037) 8.185 28.817 ( 4.692 0.000 6.653) 8.141 29.889 ( -20.373 -0.000 6.772) 21.469 30.057 ( -18.632 -0.000 -4.020) 19.061 ======================= Grid point 270 (130/140) ======================= q-point: ( 0.33 0.22 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 243 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.400 ( 0.850 -3.867 -0.003) 3.960 1.417 ( -0.859 -6.316 1.318) 6.509 1.837 ( 9.625 3.106 9.659) 13.985 2.047 ( 6.535 -2.661 -12.349) 14.222 2.117 ( 5.864 -8.301 8.901) 13.511 2.285 ( 2.990 -3.964 -18.165) 18.832 2.500 ( -10.222 -0.088 -0.643) 10.242 2.552 ( -7.330 -4.049 3.904) 9.239 2.876 ( -8.478 -6.335 -0.240) 10.586 3.136 ( -2.521 2.383 -7.289) 8.072 3.256 ( -7.107 -0.280 2.674) 7.598 3.297 ( -7.210 3.057 -1.011) 7.896 3.753 ( 1.296 0.924 8.738) 8.882 3.780 ( 4.110 -3.561 -8.646) 10.214 3.848 ( 6.773 2.064 0.021) 7.080 4.156 ( -4.285 -1.958 7.519) 8.873 4.234 ( 0.030 -5.181 -9.578) 10.889 4.309 ( 4.406 -4.301 2.704) 6.725 4.501 ( -0.423 -6.405 3.346) 7.239 4.642 ( 1.962 -5.909 4.179) 7.499 5.016 ( 6.922 2.955 1.102) 7.607 5.191 ( 5.356 -4.629 -0.771) 7.121 5.558 ( 1.441 1.188 -3.760) 4.198 5.724 ( 1.521 -3.676 -4.906) 6.316 5.992 ( -0.228 5.232 3.647) 6.382 6.120 ( -4.093 5.517 5.955) 9.091 6.302 ( 7.500 5.625 -6.178) 11.227 6.376 ( 3.348 8.698 -1.871) 9.506 6.447 ( 2.606 0.421 5.434) 6.042 6.616 ( 1.029 -6.224 -1.434) 6.469 6.734 ( 5.239 -1.032 1.783) 5.630 6.875 ( 6.320 -0.097 2.503) 6.798 6.931 ( 4.644 0.933 4.342) 6.425 7.163 ( 4.393 1.200 -0.680) 4.604 7.324 ( 4.701 -7.244 -2.105) 8.888 7.393 ( 0.607 0.282 -1.148) 1.329 7.589 ( 0.750 0.625 -0.127) 0.985 7.613 ( 1.473 0.086 -0.855) 1.705 7.729 ( 0.819 -3.044 -11.015) 11.457 7.894 ( 1.275 -4.906 9.543) 10.806 8.077 ( -10.499 1.841 1.883) 10.824 8.208 ( -5.045 -1.787 -2.324) 5.835 8.588 ( 2.914 4.306 4.471) 6.857 8.935 ( 5.668 -0.817 -5.766) 8.126 9.220 ( -1.796 6.305 1.646) 6.760 9.336 ( -5.478 -1.272 2.651) 6.217 9.523 ( -11.500 9.229 -2.709) 14.992 9.796 ( -12.517 -4.489 1.998) 13.447 10.795 ( -5.426 0.830 -9.753) 11.192 10.982 ( -10.163 -1.793 6.850) 12.387 11.843 ( 4.461 4.762 19.518) 20.580 11.971 ( 7.284 4.056 -17.464) 19.352 12.397 ( 4.936 4.141 -2.762) 7.010 12.656 ( 0.901 1.430 4.217) 4.543 12.904 ( -6.732 -5.211 8.680) 12.158 13.148 ( -4.224 -2.325 -16.401) 17.095 13.701 ( 4.635 4.365 3.825) 7.428 13.869 ( 1.467 4.366 2.439) 5.212 14.327 ( 11.637 3.924 -0.915) 12.315 14.482 ( 11.522 -4.795 0.352) 12.485 15.132 ( 1.844 1.255 -4.709) 5.211 15.233 ( 4.022 -1.348 3.158) 5.288 15.626 ( -7.067 -0.213 -7.790) 10.520 15.727 ( -11.623 0.582 2.933) 12.001 16.361 ( 1.375 -0.639 -1.591) 2.198 16.485 ( -6.658 0.107 3.803) 7.668 16.620 ( 1.658 0.051 11.055) 11.178 16.815 ( -3.082 -0.252 -7.463) 8.079 24.344 ( -0.681 0.379 0.034) 0.780 24.443 ( -2.963 -0.548 -0.962) 3.163 24.521 ( 2.070 0.031 0.813) 2.225 24.625 ( -0.429 -0.190 0.044) 0.472 25.967 ( 2.272 3.262 -2.998) 4.979 26.046 ( 0.674 1.848 2.016) 2.817 26.200 ( 6.219 0.873 9.051) 11.016 26.496 ( 7.712 2.977 -6.335) 10.415 26.871 ( -3.004 -3.139 2.540) 5.032 26.970 ( -1.453 -3.746 -5.365) 6.703 27.060 ( 0.748 -3.087 3.134) 4.462 27.129 ( 0.560 -6.319 -4.475) 7.764 28.823 ( 6.404 0.310 -4.862) 8.046 28.874 ( 5.965 -0.636 5.405) 8.074 29.697 ( -18.539 4.240 8.007) 20.635 29.854 ( -17.573 4.684 -6.247) 19.229 ======================= Grid point 271 (131/140) ======================= q-point: ( 0.44 0.22 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 243 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.462 ( 3.342 -3.071 0.645) 4.584 1.582 ( -0.077 -9.283 0.406) 9.293 1.864 ( 4.450 1.441 7.159) 8.552 2.067 ( -0.762 2.152 -2.652) 3.499 2.293 ( 5.663 -7.621 -1.763) 9.657 2.390 ( 0.775 -7.877 -11.139) 13.665 2.525 ( -2.564 -6.531 -4.142) 8.148 2.656 ( 0.223 -9.162 3.915) 9.966 2.903 ( -7.560 -3.673 3.971) 9.296 3.071 ( -0.180 2.306 -9.146) 9.434 3.194 ( -4.595 -0.905 0.106) 4.685 3.265 ( -3.593 -2.347 0.759) 4.358 3.678 ( -2.190 6.594 12.269) 14.100 3.833 ( -4.541 -1.154 -3.901) 6.097 3.857 ( 8.588 3.383 -4.964) 10.480 4.160 ( -3.601 0.079 6.892) 7.776 4.357 ( 6.838 -7.495 -4.235) 10.994 4.522 ( 2.323 -15.478 -4.710) 16.345 4.637 ( -1.852 -10.457 -0.309) 10.624 4.774 ( -1.445 -8.757 6.637) 11.082 5.042 ( 7.329 0.627 -0.663) 7.385 5.286 ( 0.111 -1.998 2.116) 2.913 5.568 ( 3.224 -1.533 -1.983) 4.084 5.755 ( -4.468 -0.814 0.808) 4.613 5.941 ( 2.311 1.496 -0.373) 2.778 5.974 ( -2.250 6.928 1.452) 7.427 6.204 ( 6.317 11.020 -3.292) 13.122 6.278 ( 7.702 7.428 -4.504) 11.610 6.459 ( 0.797 0.942 8.372) 8.462 6.647 ( 0.022 3.475 -0.361) 3.494 6.792 ( 0.365 -1.466 2.650) 3.050 6.916 ( 7.088 -1.266 0.932) 7.260 6.937 ( -1.620 1.471 0.858) 2.351 7.162 ( -0.088 2.272 -3.930) 4.541 7.381 ( 1.297 -2.697 2.130) 3.673 7.514 ( 2.799 -4.409 -2.354) 5.729 7.593 ( 4.220 0.727 -3.671) 5.641 7.621 ( 2.031 -1.250 4.325) 4.939 7.765 ( -0.599 -2.350 -8.865) 9.191 7.963 ( -9.555 1.389 0.074) 9.656 8.031 ( 2.922 -6.670 6.882) 10.019 8.214 ( -1.222 -1.550 1.137) 2.278 8.543 ( 0.846 2.560 3.510) 4.426 8.885 ( -3.948 6.730 -2.590) 8.221 9.119 ( 2.668 6.012 -3.703) 7.548 9.305 ( -3.521 4.308 6.522) 8.573 9.365 ( -2.642 -2.355 -3.318) 4.851 9.761 ( -9.907 -1.303 0.153) 9.993 10.733 ( -2.354 1.050 -6.769) 7.243 10.961 ( -9.884 -4.056 4.052) 11.426 11.789 ( 5.622 7.349 10.848) 14.258 11.919 ( 3.864 4.957 -8.586) 10.641 12.328 ( 5.482 7.739 -1.784) 9.650 12.618 ( -3.800 2.637 2.238) 5.138 12.969 ( -3.054 -5.105 4.409) 7.405 13.131 ( -4.486 -1.596 -8.483) 9.728 13.682 ( 4.999 2.289 1.806) 5.787 13.811 ( 0.800 2.747 1.516) 3.238 14.337 ( 11.827 5.426 -0.417) 13.019 14.645 ( 6.717 -4.153 0.551) 7.917 15.111 ( 2.743 2.360 -2.896) 4.634 15.293 ( 4.876 -0.626 1.488) 5.136 15.552 ( -8.936 0.449 -7.070) 11.403 15.638 ( -9.618 -0.400 3.939) 10.401 16.375 ( 0.370 -0.580 -2.437) 2.532 16.452 ( -4.796 -1.084 4.910) 6.949 16.649 ( 2.170 -0.212 9.077) 9.336 16.790 ( -1.601 0.229 -8.268) 8.424 24.336 ( 0.386 0.303 -0.059) 0.495 24.430 ( -3.059 -0.811 -0.453) 3.197 24.539 ( 2.136 -0.041 0.494) 2.193 24.622 ( -1.090 -0.096 0.095) 1.098 25.922 ( 1.948 3.241 -0.613) 3.831 26.007 ( -0.939 2.223 -0.047) 2.413 26.229 ( 5.540 2.304 7.199) 9.372 26.440 ( 2.839 6.437 -7.211) 10.074 26.956 ( -1.558 -6.758 8.089) 10.655 27.030 ( -1.738 -5.059 -5.719) 7.831 27.149 ( 1.203 -4.920 7.275) 8.865 27.235 ( 0.769 -5.744 -10.520) 12.011 28.861 ( 6.239 0.735 -3.185) 7.043 28.934 ( 5.621 0.058 3.378) 6.558 29.503 ( -13.052 3.568 7.071) 15.267 29.642 ( -13.026 4.054 -5.931) 14.876 ======================= Grid point 272 (132/140) ======================= q-point: ( 0.56 0.22 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 243 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.567 ( 4.979 -4.689 0.970) 6.907 1.694 ( -0.530 -3.523 -1.590) 3.901 1.871 ( 1.835 1.488 2.765) 3.637 2.010 ( -5.654 -0.370 3.163) 6.489 2.463 ( 4.057 -5.195 -4.224) 7.828 2.506 ( 0.010 -4.641 -5.880) 7.491 2.616 ( -0.332 -6.406 -3.760) 7.435 2.790 ( -4.943 -6.640 1.558) 8.423 2.922 ( 2.425 -2.262 7.122) 7.857 3.048 ( 1.754 -0.273 -7.035) 7.256 3.222 ( 2.247 -0.099 -0.775) 2.379 3.291 ( -1.768 -2.444 1.210) 3.250 3.562 ( -1.207 4.281 4.995) 6.688 3.758 ( -11.455 0.638 -1.926) 11.634 3.872 ( 9.998 2.445 -2.659) 10.630 4.109 ( -5.175 1.967 5.360) 7.706 4.542 ( 7.862 -5.416 2.010) 9.756 4.757 ( -4.214 -10.320 -2.983) 11.539 4.872 ( 3.304 -15.318 -4.690) 16.357 4.947 ( -2.244 -10.899 3.021) 11.530 5.105 ( 6.049 -2.384 -2.552) 6.985 5.263 ( -4.519 0.965 4.103) 6.179 5.639 ( 2.711 -2.417 -2.271) 4.284 5.711 ( -4.288 0.901 2.925) 5.268 5.885 ( 2.383 3.822 3.164) 5.504 5.927 ( 1.687 3.056 -0.476) 3.523 6.089 ( 6.010 6.593 -2.211) 9.191 6.179 ( 4.083 8.373 -5.034) 10.588 6.438 ( 0.144 2.863 4.959) 5.728 6.546 ( -1.731 6.359 1.220) 6.703 6.785 ( -2.889 0.525 6.637) 7.258 6.884 ( -2.677 2.301 -4.433) 5.667 6.996 ( 2.878 -1.562 0.966) 3.414 7.094 ( -3.116 1.812 -6.619) 7.537 7.417 ( 1.728 -0.583 4.846) 5.178 7.555 ( 6.140 3.793 -3.312) 7.941 7.614 ( -2.348 -4.238 -1.858) 5.189 7.678 ( -0.473 -0.007 1.787) 1.848 7.820 ( 3.485 -3.726 -2.319) 5.604 7.888 ( -4.318 -0.311 -2.791) 5.151 8.166 ( 3.599 -3.996 5.950) 8.021 8.243 ( 2.975 -1.311 1.250) 3.483 8.526 ( -1.314 -0.212 0.809) 1.558 8.705 ( -8.561 5.966 -1.218) 10.506 9.054 ( 5.565 4.374 -7.448) 10.274 9.203 ( -3.326 5.122 8.853) 10.755 9.438 ( 3.584 -4.163 -1.367) 5.661 9.696 ( -8.848 -0.627 -0.623) 8.893 10.730 ( 3.247 -1.489 -4.174) 5.493 10.966 ( -10.557 -5.208 2.662) 12.069 11.724 ( 6.585 6.445 3.832) 9.979 11.845 ( 0.223 4.607 -3.023) 5.515 12.236 ( 6.780 7.507 -0.820) 10.149 12.501 ( -8.367 4.906 0.764) 9.729 13.035 ( 1.003 -3.114 1.134) 3.462 13.126 ( -3.480 -2.253 -1.226) 4.323 13.701 ( 4.704 0.208 -3.246) 5.719 13.794 ( -1.503 -0.272 3.126) 3.479 14.331 ( 12.654 6.319 0.242) 14.146 14.684 ( -5.191 1.309 0.285) 5.361 15.108 ( 5.733 1.609 0.918) 6.025 15.292 ( -0.501 3.696 -2.352) 4.410 15.510 ( -2.842 -3.763 -3.178) 5.686 15.606 ( -5.841 -2.613 2.479) 6.863 16.392 ( 1.210 -1.194 -3.521) 3.910 16.450 ( -3.586 -1.630 5.614) 6.859 16.677 ( 2.200 0.010 5.554) 5.974 16.759 ( -1.157 0.998 -6.285) 6.468 24.341 ( 1.528 -0.034 -0.098) 1.531 24.420 ( -3.114 -0.817 -0.024) 3.219 24.557 ( 2.045 -0.043 0.098) 2.047 24.613 ( -1.434 -0.125 0.102) 1.443 25.889 ( 2.070 2.331 0.137) 3.121 25.960 ( -1.863 1.759 -0.315) 2.581 26.230 ( 3.653 2.419 4.773) 6.479 26.335 ( -0.029 5.487 -5.109) 7.497 27.066 ( -0.671 -5.518 5.301) 7.681 27.098 ( -1.413 -4.659 -3.849) 6.207 27.245 ( 0.709 -3.517 12.127) 12.647 27.306 ( 0.845 -3.112 -13.843) 14.213 28.881 ( 4.467 1.830 -1.662) 5.106 28.948 ( 1.623 2.422 1.672) 3.362 29.414 ( -4.434 -1.067 4.669) 6.527 29.515 ( -7.496 -0.000 -4.020) 8.506 ======================= Grid point 273 (133/140) ======================= q-point: (-0.33 0.22 0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 243 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.651 ( 2.512 0.800 3.291) 4.217 1.691 ( -1.417 2.194 -3.542) 4.401 1.895 ( 6.623 -2.775 -1.816) 7.407 2.011 ( -7.998 -4.736 3.733) 10.016 2.472 ( 0.124 4.139 -7.008) 8.140 2.490 ( -3.560 3.847 5.721) 7.759 2.770 ( 4.472 -8.154 -3.034) 9.783 2.847 ( -5.106 -5.663 0.565) 7.646 3.037 ( 3.854 -1.962 0.896) 4.416 3.064 ( 1.103 0.222 -4.315) 4.459 3.164 ( 6.192 6.627 5.185) 10.447 3.284 ( -5.476 -1.003 -0.639) 5.603 3.572 ( 3.423 -1.789 0.142) 3.865 3.664 ( -7.215 1.008 -0.325) 7.292 3.942 ( 7.542 -3.187 -2.300) 8.505 4.054 ( -6.635 -1.445 2.963) 7.409 4.643 ( 8.645 2.213 6.037) 10.774 4.796 ( -8.460 0.434 -6.511) 10.684 5.042 ( 0.347 -2.370 -0.157) 2.400 5.064 ( -2.329 -3.425 1.493) 4.403 5.231 ( 6.366 -5.935 -6.469) 10.845 5.289 ( -2.941 -5.636 5.505) 8.409 5.665 ( 1.098 0.559 -0.299) 1.268 5.688 ( -1.654 -0.330 -0.654) 1.809 5.838 ( 2.542 3.831 4.271) 6.276 5.871 ( 0.118 3.809 -2.071) 4.337 6.045 ( 4.609 3.462 0.135) 5.766 6.093 ( -0.235 2.371 -1.718) 2.938 6.374 ( 2.616 5.282 -1.175) 6.010 6.432 ( -4.589 3.661 2.351) 6.323 6.776 ( -2.074 -1.308 6.457) 6.907 6.816 ( -3.915 0.685 -5.798) 7.030 7.009 ( 2.015 0.832 1.339) 2.558 7.058 ( -2.839 0.107 -4.500) 5.322 7.482 ( 4.495 -3.074 10.350) 11.695 7.536 ( 6.439 2.880 -8.311) 10.901 7.621 ( -6.294 -1.373 -1.333) 6.578 7.628 ( -3.960 3.000 1.364) 5.152 7.871 ( 2.364 1.622 0.775) 2.970 7.888 ( -0.145 0.131 -2.363) 2.371 8.246 ( 5.581 -1.805 4.321) 7.285 8.307 ( 1.492 -2.406 -0.737) 2.925 8.519 ( 0.356 -0.277 -5.198) 5.217 8.589 ( -7.720 -0.365 3.463) 8.469 9.025 ( 5.959 3.326 -6.849) 9.668 9.101 ( -4.897 3.438 6.824) 9.075 9.554 ( 6.064 -4.687 1.375) 7.787 9.665 ( -7.007 -3.505 -1.257) 7.935 10.828 ( 8.220 -4.777 -2.252) 9.771 10.979 ( -10.944 -6.018 1.885) 12.631 11.671 ( 6.650 6.159 -0.914) 9.111 11.751 ( -3.624 4.892 1.025) 6.174 12.198 ( 8.783 3.274 -0.975) 9.424 12.352 ( -10.310 2.688 0.531) 10.668 13.102 ( 2.363 -2.863 4.218) 5.619 13.147 ( -2.159 -2.882 -3.540) 5.050 13.728 ( 4.288 0.561 -4.379) 6.155 13.783 ( -3.519 0.166 3.565) 5.012 14.320 ( 13.243 6.797 0.542) 14.896 14.536 ( -12.865 6.262 0.007) 14.308 15.127 ( 4.333 1.674 3.741) 5.964 15.198 ( -3.353 3.407 -4.140) 6.323 15.605 ( 2.312 -6.153 -1.414) 6.723 15.642 ( -2.548 -4.867 1.321) 5.651 16.425 ( 2.257 -1.223 -3.848) 4.625 16.457 ( -2.990 -1.308 4.963) 5.940 16.695 ( 2.438 0.337 -0.919) 2.627 16.728 ( -1.833 0.579 0.082) 1.925 24.360 ( 2.521 -0.320 -0.036) 2.541 24.407 ( -3.220 -0.585 0.058) 3.273 24.574 ( 2.064 -0.108 0.070) 2.068 24.604 ( -1.658 -0.251 -0.074) 1.679 25.874 ( 2.416 1.480 0.182) 2.839 25.916 ( -2.628 1.244 -0.183) 2.913 26.220 ( 1.812 1.595 2.919) 3.788 26.250 ( -0.866 3.020 -3.054) 4.381 27.141 ( 0.026 -2.723 2.496) 3.694 27.153 ( -0.776 -2.749 -2.702) 3.932 27.300 ( 0.529 -0.644 9.752) 9.787 27.326 ( 0.083 -0.454 -9.568) 9.579 28.862 ( 2.097 3.052 -0.283) 3.714 28.891 ( -1.478 3.541 0.347) 3.853 29.470 ( 1.775 -5.531 1.286) 5.950 29.516 ( -3.291 -4.999 -1.220) 6.108 ======================= Grid point 274 (134/140) ======================= q-point: (-0.22 0.22 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.607 ( -1.750 5.071 -3.541) 6.428 1.607 ( 1.750 5.071 3.541) 6.428 2.042 ( -2.993 -5.489 -0.206) 6.255 2.042 ( 2.993 -5.489 0.206) 6.255 2.358 ( 5.252 8.622 -10.971) 14.910 2.358 ( -5.252 8.622 10.971) 14.910 2.909 ( -1.577 0.065 -2.763) 3.182 2.909 ( 1.577 0.065 2.763) 3.182 2.957 ( 1.570 3.291 -11.937) 12.481 2.957 ( -1.570 3.291 11.937) 12.481 3.295 ( -2.998 -6.601 -1.714) 7.450 3.295 ( 2.998 -6.601 1.714) 7.450 3.601 ( 3.090 1.543 -6.529) 7.386 3.601 ( -3.090 1.543 6.529) 7.386 4.080 ( -3.853 -6.155 -0.130) 7.263 4.080 ( 3.853 -6.155 0.130) 7.263 4.617 ( -7.286 9.434 -10.357) 15.791 4.617 ( 7.286 9.434 10.357) 15.791 5.050 ( 2.841 2.681 -5.427) 6.687 5.050 ( -2.841 2.681 5.427) 6.687 5.271 ( 3.442 6.379 -7.101) 10.147 5.271 ( -3.442 6.379 7.101) 10.147 5.652 ( -2.255 2.394 -5.513) 6.420 5.652 ( 2.255 2.394 5.513) 6.420 5.866 ( -1.630 -4.667 -2.442) 5.513 5.866 ( 1.630 -4.667 2.442) 5.513 6.047 ( -2.784 0.445 0.152) 2.824 6.047 ( 2.784 0.445 -0.152) 2.824 6.344 ( -5.027 1.540 -2.401) 5.780 6.344 ( 5.027 1.540 2.401) 5.780 6.802 ( 0.178 -0.969 -5.799) 5.882 6.802 ( -0.178 -0.969 5.799) 5.882 7.026 ( 1.967 -0.070 -8.761) 8.979 7.026 ( -1.967 -0.070 8.761) 8.979 7.522 ( 5.823 3.840 -7.142) 9.983 7.522 ( -5.823 3.840 7.142) 9.983 7.600 ( -4.064 -2.077 -7.643) 8.902 7.600 ( 4.064 -2.077 7.643) 8.902 7.833 ( -1.765 3.429 -2.280) 4.480 7.833 ( 1.765 3.429 2.280) 4.480 8.324 ( -2.636 -1.297 -5.645) 6.363 8.324 ( 2.636 -1.297 5.645) 6.363 8.572 ( 5.262 -3.078 -6.315) 8.777 8.572 ( -5.262 -3.078 6.315) 8.777 9.036 ( 2.547 -0.537 -7.546) 7.982 9.036 ( -2.547 -0.537 7.546) 7.982 9.693 ( -6.075 -5.165 -2.897) 8.484 9.693 ( 6.075 -5.165 2.897) 8.484 11.009 ( -4.559 -7.098 -5.527) 10.085 11.009 ( 4.559 -7.098 5.527) 10.085 11.617 ( 1.466 5.489 -8.030) 9.836 11.617 ( -1.466 5.489 8.030) 9.836 12.265 ( -10.399 -1.903 1.278) 10.648 12.265 ( 10.399 -1.903 -1.278) 10.648 13.181 ( -0.764 -3.562 -10.795) 11.393 13.181 ( 0.764 -3.562 10.795) 11.393 13.731 ( 3.361 2.829 -3.720) 5.756 13.731 ( -3.361 2.829 3.720) 5.756 14.307 ( -11.475 6.777 -1.287) 13.388 14.307 ( 11.475 6.777 1.287) 13.388 15.129 ( -2.411 1.291 -3.892) 4.757 15.129 ( 2.411 1.291 3.892) 4.757 15.724 ( 0.533 -5.644 -6.659) 8.745 15.724 ( -0.533 -5.644 6.659) 8.745 16.453 ( 1.344 -0.017 -9.531) 9.626 16.453 ( -1.344 -0.017 9.531) 9.626 16.715 ( 3.465 -0.931 -8.738) 9.446 16.715 ( -3.465 -0.931 8.738) 9.446 24.390 ( -3.030 -0.389 -0.142) 3.058 24.390 ( 3.030 -0.389 0.142) 3.058 24.594 ( -1.705 -0.190 -0.717) 1.860 24.594 ( 1.705 -0.190 0.717) 1.860 25.875 ( -2.607 0.821 -0.447) 2.770 25.875 ( 2.607 0.821 0.447) 2.770 26.212 ( 0.005 0.505 -2.221) 2.278 26.212 ( -0.005 0.505 2.221) 2.278 27.162 ( 0.566 0.976 -9.893) 9.958 27.162 ( -0.566 0.976 9.893) 9.958 27.305 ( 2.764 1.466 -14.605) 14.937 27.305 ( -2.764 1.466 14.605) 14.937 28.820 ( -1.195 3.021 -0.973) 3.392 28.820 ( 1.195 3.021 0.973) 3.392 29.618 ( 0.955 -8.991 -4.556) 10.125 29.618 ( -0.955 -8.991 4.556) 10.125 ======================= Grid point 280 (135/140) ======================= q-point: ( 0.33 0.33 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 135 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.321 ( 2.303 0.000 1.055) 2.533 1.417 ( 2.534 0.000 -0.970) 2.714 1.955 ( 5.200 0.000 0.818) 5.264 2.070 ( 6.168 0.000 11.051) 12.656 2.115 ( 15.021 0.000 -8.280) 17.152 2.250 ( 2.056 0.000 -19.914) 20.020 2.406 ( -15.272 -0.000 3.361) 15.638 2.426 ( -9.996 -0.000 6.018) 11.668 2.761 ( -4.172 -0.000 -2.627) 4.930 3.123 ( -3.390 -0.000 -6.884) 7.673 3.186 ( -10.589 -0.000 4.380) 11.459 3.250 ( -10.262 -0.000 0.064) 10.262 3.765 ( 8.170 0.000 -19.509) 21.151 3.803 ( -1.081 -0.000 20.490) 20.519 3.894 ( 4.628 0.000 -0.317) 4.639 4.095 ( -5.447 -0.000 7.381) 9.173 4.204 ( 6.372 0.000 -10.986) 12.700 4.340 ( 4.468 0.000 3.265) 5.534 4.461 ( 1.951 0.000 -0.009) 1.951 4.597 ( -0.736 -0.000 5.893) 5.939 5.112 ( 6.625 0.000 1.341) 6.760 5.173 ( 4.160 0.000 0.088) 4.161 5.569 ( -0.086 -0.000 -3.532) 3.533 5.681 ( -1.698 -0.000 -4.856) 5.144 6.072 ( 2.503 0.000 1.382) 2.859 6.144 ( -2.569 -0.000 5.700) 6.252 6.408 ( 2.998 0.000 3.268) 4.435 6.463 ( 3.444 0.000 -11.484) 11.989 6.488 ( 4.365 0.000 1.027) 4.484 6.545 ( 1.182 0.000 1.364) 1.805 6.789 ( 2.802 0.000 2.429) 3.708 6.886 ( 9.556 0.000 10.567) 14.248 7.021 ( 2.764 0.000 -1.477) 3.134 7.263 ( 8.239 0.000 3.454) 8.934 7.274 ( 7.936 0.000 -8.154) 11.378 7.376 ( -4.944 -0.000 1.091) 5.063 7.558 ( -1.428 -0.000 -0.799) 1.637 7.636 ( 2.665 0.000 -1.770) 3.199 7.727 ( 3.400 0.000 -12.192) 12.657 7.864 ( 0.751 0.000 13.990) 14.010 8.010 ( -11.922 -0.000 4.451) 12.726 8.128 ( -6.514 -0.000 -6.354) 9.099 8.695 ( 6.956 0.000 7.759) 10.420 8.956 ( 6.119 0.000 -11.443) 12.976 9.253 ( -6.603 -0.000 -0.360) 6.613 9.281 ( -3.073 -0.000 7.439) 8.048 9.560 ( -17.504 -0.000 4.844) 18.162 9.600 ( -6.012 -0.000 -6.584) 8.916 10.757 ( -2.794 -0.000 -10.834) 11.189 10.895 ( -9.893 -0.000 8.776) 13.224 11.942 ( 3.508 0.000 22.911) 23.178 12.045 ( 6.534 0.000 -21.899) 22.853 12.470 ( 5.630 0.000 -3.650) 6.710 12.680 ( -1.115 -0.000 6.520) 6.614 12.823 ( -3.945 -0.000 9.745) 10.513 13.064 ( -5.194 -0.000 -17.086) 17.858 13.789 ( 4.356 0.000 4.179) 6.037 13.915 ( 0.015 0.000 0.792) 0.792 14.491 ( 12.972 0.000 1.499) 13.058 14.496 ( 9.286 0.000 -1.292) 9.376 15.158 ( 3.443 0.000 -6.459) 7.319 15.254 ( 4.100 0.000 4.419) 6.028 15.562 ( -6.594 -0.000 -7.159) 9.733 15.634 ( -13.172 -0.000 2.657) 13.437 16.364 ( 0.501 0.000 0.520) 0.722 16.435 ( -5.945 -0.000 1.137) 6.052 16.649 ( 1.368 0.000 14.229) 14.295 16.776 ( -2.477 -0.000 -10.633) 10.918 24.343 ( -0.269 -0.000 0.274) 0.384 24.415 ( -2.640 -0.000 -1.137) 2.874 24.538 ( 1.955 0.000 1.149) 2.268 24.619 ( -0.737 -0.000 -0.364) 0.822 26.008 ( 1.551 0.000 -5.307) 5.529 26.057 ( -1.807 -0.000 2.952) 3.461 26.299 ( 9.836 0.000 15.064) 17.991 26.578 ( 7.749 0.000 -8.539) 11.530 26.824 ( -3.100 -0.000 -2.284) 3.851 26.916 ( -1.702 -0.000 -5.800) 6.044 27.049 ( 1.047 0.000 -5.489) 5.588 27.050 ( -0.879 -0.000 7.374) 7.426 28.880 ( 8.274 0.000 -6.544) 10.548 28.928 ( 7.087 0.000 7.131) 10.054 29.592 ( -18.646 -0.000 10.101) 21.206 29.736 ( -18.650 -0.000 -8.903) 20.666 ======================= Grid point 281 (136/140) ======================= q-point: ( 0.44 0.33 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 243 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.423 ( 2.941 -7.283 -0.942) 7.910 1.447 ( 2.066 -1.609 1.569) 3.053 1.985 ( 6.660 2.801 3.031) 7.835 2.118 ( 4.373 3.528 -7.178) 9.116 2.191 ( 0.065 -5.224 5.302) 7.444 2.254 ( -2.981 -4.046 -8.112) 9.542 2.378 ( -2.466 -6.859 -2.481) 7.699 2.495 ( -1.867 -9.712 2.932) 10.316 2.783 ( 0.104 -4.776 -1.472) 4.998 3.084 ( -1.293 1.231 -10.496) 10.647 3.122 ( -10.518 -2.751 8.234) 13.638 3.172 ( -8.295 -0.587 0.354) 8.323 3.781 ( -0.679 3.879 11.410) 12.071 3.797 ( 0.753 0.532 -7.403) 7.460 3.952 ( 6.304 -1.061 -3.280) 7.185 4.097 ( -5.071 -3.504 8.521) 10.516 4.298 ( 9.455 -4.997 -10.171) 14.759 4.377 ( 3.212 -2.296 0.219) 3.954 4.504 ( 1.225 -3.959 -4.624) 6.210 4.636 ( -4.923 -5.333 10.223) 12.538 5.130 ( 6.732 2.178 1.009) 7.147 5.245 ( 1.093 -2.960 0.270) 3.166 5.569 ( 1.408 -0.626 -0.762) 1.719 5.684 ( -4.027 -2.814 -3.251) 5.891 6.019 ( 2.010 5.611 0.126) 5.962 6.075 ( -2.680 6.387 2.571) 7.388 6.408 ( 6.681 3.690 -3.915) 8.578 6.451 ( 6.072 5.120 -3.091) 8.523 6.494 ( 1.243 2.397 4.085) 4.897 6.603 ( -2.585 -4.922 0.303) 5.568 6.803 ( 3.934 0.952 2.846) 4.948 6.948 ( -2.033 1.320 3.194) 4.010 7.014 ( 8.488 2.642 1.665) 9.044 7.232 ( -0.550 5.358 -0.561) 5.415 7.338 ( 4.119 -3.500 -4.258) 6.882 7.445 ( 1.367 -5.038 -1.056) 5.326 7.588 ( 1.995 -2.942 5.684) 6.704 7.650 ( 2.630 0.402 -3.661) 4.526 7.724 ( 1.042 0.383 -7.746) 7.825 7.901 ( -11.280 1.223 2.775) 11.681 7.950 ( 2.820 -5.782 7.830) 10.134 8.121 ( -5.169 -4.850 -3.260) 7.802 8.682 ( 7.230 7.524 5.718) 11.899 8.955 ( -2.444 4.555 -6.366) 8.200 9.214 ( -0.283 3.184 -3.538) 4.768 9.242 ( -5.082 -2.673 0.585) 5.772 9.398 ( -2.854 3.453 7.791) 8.987 9.618 ( -9.784 -4.962 -3.523) 11.522 10.728 ( -0.062 0.513 -9.200) 9.215 10.845 ( -8.703 -1.551 7.397) 11.526 11.949 ( 2.912 4.729 19.282) 20.066 12.022 ( 4.049 4.372 -17.635) 18.614 12.476 ( 5.809 4.126 -4.401) 8.375 12.638 ( -4.531 2.822 5.783) 7.869 12.868 ( 0.012 -5.006 8.383) 9.764 13.034 ( -5.387 -3.047 -13.526) 14.874 13.783 ( 4.176 4.015 4.487) 7.327 13.878 ( -0.589 3.676 -0.860) 3.821 14.511 ( 10.954 3.758 -1.069) 11.630 14.633 ( 5.725 -3.149 1.638) 6.736 15.173 ( 5.617 1.410 -5.106) 7.721 15.311 ( 4.934 -1.791 3.107) 6.099 15.486 ( -9.311 1.434 -5.419) 10.869 15.544 ( -10.891 -1.206 2.565) 11.254 16.367 ( -0.176 -0.272 -0.217) 0.390 16.403 ( -3.905 -0.772 1.952) 4.434 16.674 ( 1.317 -0.042 12.366) 12.436 16.758 ( -1.381 -0.850 -10.909) 11.029 24.343 ( 0.551 0.070 0.279) 0.622 24.397 ( -2.480 -0.362 -0.813) 2.635 24.555 ( 1.923 -0.032 0.951) 2.145 24.611 ( -1.236 -0.017 -0.414) 1.304 25.987 ( 1.358 2.607 -2.177) 3.658 26.031 ( -1.777 1.601 0.713) 2.496 26.356 ( 8.366 3.779 13.458) 16.291 26.559 ( 1.978 5.743 -12.269) 13.690 26.848 ( -0.640 -5.006 6.640) 8.341 26.929 ( -1.944 -3.736 -6.630) 7.855 27.081 ( 0.910 -4.086 3.331) 5.349 27.121 ( -0.270 -5.919 -4.333) 7.341 28.933 ( 8.574 1.038 -5.330) 10.149 28.993 ( 6.683 0.289 5.539) 8.685 29.450 ( -14.008 1.743 9.910) 17.247 29.569 ( -15.150 1.667 -9.090) 17.747 ======================= Grid point 282 (137/140) ======================= q-point: ( 0.56 0.33 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 243 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.521 ( 3.289 -4.678 2.058) 6.077 1.566 ( -1.711 -7.655 -1.574) 8.000 1.956 ( 5.135 4.914 1.787) 7.328 2.028 ( -3.608 4.876 0.103) 6.067 2.354 ( 1.758 -9.891 0.253) 10.049 2.369 ( -0.148 -9.607 -6.179) 11.424 2.508 ( 3.392 -6.912 -2.126) 7.988 2.613 ( -7.737 -7.357 1.237) 10.748 2.919 ( 7.701 -4.224 6.862) 11.146 3.039 ( -2.461 0.282 -9.820) 10.128 3.146 ( -1.312 -5.480 1.922) 5.954 3.182 ( -5.708 -6.976 0.290) 9.019 3.682 ( 0.042 7.360 8.390) 11.161 3.731 ( -4.388 4.441 -5.203) 8.128 3.996 ( 8.332 2.238 -3.776) 9.417 4.099 ( -6.061 0.468 6.191) 8.677 4.468 ( 6.031 -8.367 -0.010) 10.314 4.527 ( -1.107 -11.633 -3.082) 12.085 4.646 ( 5.376 -11.394 -11.385) 16.981 4.728 ( -6.742 -9.807 12.191) 17.037 5.157 ( 6.935 1.288 -1.174) 7.151 5.248 ( -4.766 0.771 1.712) 5.122 5.622 ( 3.754 -2.207 -0.480) 4.381 5.684 ( -4.292 -0.929 0.732) 4.452 5.952 ( -0.861 3.621 7.892) 8.726 5.962 ( 0.739 2.776 -8.379) 8.857 6.313 ( 6.945 10.563 -2.555) 12.897 6.368 ( 1.877 9.537 -2.335) 9.997 6.493 ( 3.475 1.288 4.726) 6.005 6.592 ( -6.295 2.065 0.655) 6.657 6.821 ( 2.747 1.232 3.189) 4.386 6.884 ( -3.855 1.741 -2.217) 4.776 7.036 ( 6.188 2.351 3.201) 7.353 7.122 ( -3.517 4.454 -4.296) 7.117 7.430 ( 4.569 -1.898 1.017) 5.051 7.507 ( -3.102 -4.224 -2.242) 5.700 7.643 ( 3.514 1.849 -2.017) 4.453 7.675 ( 0.421 -0.937 3.852) 3.986 7.749 ( 1.862 -4.597 -2.370) 5.497 7.823 ( -6.883 -1.785 -1.009) 7.182 8.106 ( 4.697 -6.855 4.173) 9.299 8.182 ( -3.424 -5.662 -0.911) 6.679 8.609 ( 6.746 7.087 3.323) 10.333 8.757 ( -9.916 8.684 -2.782) 13.471 9.161 ( 4.953 3.273 -8.035) 9.990 9.236 ( -6.166 1.383 6.517) 9.078 9.429 ( 8.353 -2.157 3.574) 9.338 9.593 ( -10.513 -2.187 -2.705) 11.073 10.734 ( 4.111 -0.838 -6.005) 7.325 10.823 ( -8.292 -2.793 4.937) 10.046 11.886 ( 3.315 6.590 10.029) 12.450 11.933 ( 0.263 5.802 -9.068) 10.768 12.421 ( 6.810 6.842 -2.415) 9.951 12.529 ( -7.184 5.028 2.582) 9.141 12.977 ( 2.067 -4.860 5.201) 7.413 13.043 ( -4.143 -3.523 -6.768) 8.682 13.757 ( 3.836 2.615 1.460) 4.866 13.805 ( -1.766 2.777 -0.262) 3.302 14.528 ( 11.500 4.503 -0.808) 12.377 14.664 ( -4.708 0.886 1.218) 4.943 15.197 ( 8.486 1.951 -0.319) 8.713 15.342 ( -4.903 3.861 -2.787) 6.835 15.418 ( 0.216 -4.313 -0.401) 4.337 15.507 ( -7.592 -2.618 1.416) 8.154 16.378 ( 1.001 -0.998 -2.491) 2.864 16.401 ( -2.797 -1.478 3.582) 4.779 16.702 ( 1.791 -0.179 8.881) 9.062 16.747 ( -1.408 -0.232 -8.768) 8.883 24.352 ( 1.576 -0.145 0.095) 1.586 24.385 ( -2.461 -0.550 -0.262) 2.535 24.571 ( 1.839 -0.035 0.394) 1.881 24.600 ( -1.596 -0.029 -0.191) 1.607 25.950 ( 1.780 2.743 0.027) 3.270 25.980 ( -1.907 2.293 -0.510) 3.026 26.343 ( 5.555 5.175 8.968) 11.750 26.427 ( -2.057 6.737 -8.882) 11.336 26.963 ( 0.004 -6.427 8.838) 10.928 26.992 ( -1.060 -5.501 -7.768) 9.578 27.185 ( 0.896 -5.404 8.789) 10.356 27.216 ( -0.214 -5.662 -10.016) 11.507 28.960 ( 6.465 2.392 -3.349) 7.664 29.008 ( 1.001 2.615 3.180) 4.237 29.372 ( -3.714 -0.510 7.745) 8.605 29.443 ( -9.034 0.082 -7.131) 11.510 ======================= Grid point 283 (138/140) ======================= q-point: ( 0.67 0.33 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.648 ( -4.113 -4.611 -2.374) 6.620 1.648 ( 4.113 -4.611 2.374) 6.620 1.929 ( 0.927 1.800 -3.059) 3.668 1.929 ( -0.927 1.800 3.059) 3.668 2.489 ( 1.823 -3.162 -5.557) 6.648 2.489 ( -1.823 -3.162 5.557) 6.648 2.674 ( 5.005 -7.623 -2.498) 9.455 2.674 ( -5.005 -7.623 2.498) 9.455 3.020 ( -3.366 -2.307 -8.007) 8.987 3.020 ( 3.366 -2.307 8.007) 8.987 3.258 ( 1.275 -2.453 -9.434) 9.831 3.258 ( -1.275 -2.453 9.434) 9.831 3.604 ( -3.770 2.681 -5.299) 7.034 3.604 ( 3.770 2.681 5.299) 7.034 4.012 ( 5.493 2.461 -4.070) 7.266 4.012 ( -5.493 2.461 4.070) 7.266 4.666 ( -6.215 -7.188 -3.647) 10.178 4.666 ( 6.215 -7.188 3.647) 10.178 4.910 ( 2.633 -13.077 -6.655) 14.907 4.910 ( -2.633 -13.077 6.655) 14.907 5.192 ( 2.368 -0.599 -6.456) 6.903 5.192 ( -2.368 -0.599 6.456) 6.903 5.666 ( 2.151 -0.454 -2.463) 3.301 5.666 ( -2.151 -0.454 2.463) 3.301 5.927 ( -0.020 1.754 -7.386) 7.592 5.927 ( 0.020 1.754 7.386) 7.592 6.179 ( -0.718 9.111 -2.311) 9.427 6.179 ( 0.718 9.111 2.311) 9.427 6.479 ( -1.508 4.396 -3.266) 5.680 6.479 ( 1.508 4.396 3.266) 5.680 6.813 ( -3.251 2.660 -6.310) 7.580 6.813 ( 3.251 2.660 6.310) 7.580 7.040 ( -2.064 1.171 -4.530) 5.114 7.040 ( 2.064 1.171 4.530) 5.114 7.504 ( -5.428 -1.478 -9.575) 11.105 7.504 ( 5.428 -1.478 9.575) 11.105 7.645 ( 0.792 1.953 -5.320) 5.722 7.645 ( -0.792 1.953 5.320) 5.722 7.855 ( 0.032 -4.008 -4.536) 6.053 7.855 ( -0.032 -4.008 4.536) 6.053 8.241 ( -3.483 -3.983 -2.394) 5.808 8.241 ( 3.483 -3.983 2.394) 5.808 8.566 ( -2.279 3.992 -5.938) 7.509 8.566 ( 2.279 3.992 5.938) 7.509 9.138 ( 6.574 4.258 -8.379) 11.470 9.138 ( -6.574 4.258 8.379) 11.470 9.547 ( -7.260 -2.632 -2.665) 8.169 9.547 ( 7.260 -2.632 2.665) 8.169 10.818 ( 1.882 -3.698 -7.859) 8.887 10.818 ( -1.882 -3.698 7.859) 8.887 11.813 ( 1.213 5.622 -16.234) 17.223 11.813 ( -1.213 5.622 16.234) 17.223 12.361 ( -8.713 6.531 0.885) 10.925 12.361 ( 8.713 6.531 -0.885) 10.925 13.071 ( -2.797 -3.316 -2.025) 4.788 13.071 ( 2.797 -3.316 2.025) 4.788 13.760 ( 1.987 0.388 -6.698) 6.997 13.760 ( -1.987 0.388 6.698) 6.997 14.536 ( -11.276 5.337 -0.375) 12.481 14.536 ( 11.276 5.337 0.375) 12.481 15.218 ( -6.153 3.324 -4.111) 8.112 15.218 ( 6.153 3.324 4.111) 8.112 15.527 ( 0.708 -5.040 -4.836) 7.021 15.527 ( -0.708 -5.040 4.836) 7.021 16.413 ( 2.182 -1.656 -5.463) 6.112 16.413 ( -2.182 -1.656 5.463) 6.112 16.722 ( 0.661 0.491 -13.238) 13.263 16.722 ( -0.661 0.491 13.238) 13.263 24.374 ( -2.256 -0.476 -0.164) 2.312 24.374 ( 2.256 -0.476 0.164) 2.312 24.587 ( -1.769 -0.112 -0.036) 1.773 24.587 ( 1.769 -0.112 0.036) 1.773 25.925 ( -2.138 2.048 -0.565) 3.014 25.925 ( 2.138 2.048 0.565) 3.014 26.298 ( -2.634 4.537 -5.922) 7.912 26.298 ( 2.634 4.537 5.922) 7.912 27.075 ( 1.640 -5.110 -14.436) 15.402 27.075 ( -1.640 -5.110 14.436) 15.402 27.281 ( 1.314 -3.345 -18.917) 19.255 27.281 ( -1.314 -3.345 18.917) 19.255 28.941 ( 1.103 3.592 -3.936) 5.442 28.941 ( -1.103 3.592 3.936) 5.442 29.415 ( -3.142 -2.990 -4.485) 6.239 29.415 ( 3.142 -2.990 4.485) 6.239 ======================= Grid point 291 (139/140) ======================= q-point: ( 0.44 0.44 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 135 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.398 ( 5.944 0.000 -3.952) 7.138 1.444 ( -0.517 -0.000 3.682) 3.718 2.016 ( 4.807 0.000 -4.097) 6.316 2.112 ( -6.194 -0.000 2.132) 6.550 2.241 ( -1.385 -0.000 -1.670) 2.170 2.248 ( -0.839 -0.000 4.825) 4.897 2.278 ( 5.658 0.000 -8.816) 10.475 2.344 ( -2.331 -0.000 5.914) 6.357 2.769 ( 8.915 0.000 -7.048) 11.364 2.978 ( -16.233 -0.000 7.973) 18.085 3.081 ( 0.643 0.000 -7.802) 7.828 3.120 ( -6.050 -0.000 3.618) 7.049 3.814 ( 2.520 0.000 -9.132) 9.473 3.819 ( -1.405 -0.000 11.968) 12.050 3.962 ( 5.282 0.000 -7.263) 8.981 4.029 ( -5.398 -0.000 9.028) 10.518 4.334 ( 9.824 0.000 -5.805) 11.411 4.395 ( 1.406 0.000 -0.367) 1.453 4.483 ( 2.955 0.000 -10.677) 11.079 4.547 ( -7.767 -0.000 14.688) 16.615 5.203 ( 3.724 0.000 0.299) 3.736 5.220 ( 1.266 0.000 0.835) 1.516 5.569 ( 1.201 0.000 0.545) 1.319 5.617 ( -3.887 -0.000 -3.436) 5.188 6.111 ( 1.984 0.000 -2.726) 3.372 6.126 ( -1.316 -0.000 4.270) 4.468 6.447 ( 0.925 0.000 7.547) 7.604 6.472 ( 0.728 0.000 -10.534) 10.559 6.555 ( 3.006 0.000 -2.141) 3.691 6.566 ( 0.498 0.000 2.951) 2.993 6.862 ( 5.438 0.000 1.676) 5.690 6.944 ( -3.693 -0.000 2.379) 4.393 7.113 ( 8.779 0.000 2.670) 9.176 7.252 ( -7.284 -0.000 -2.660) 7.755 7.369 ( 3.321 0.000 -7.320) 8.038 7.371 ( 2.133 0.000 4.763) 5.219 7.595 ( 5.388 0.000 5.562) 7.743 7.660 ( 0.377 0.000 -3.859) 3.878 7.749 ( 3.495 0.000 -12.074) 12.569 7.835 ( -10.877 -0.000 8.413) 13.751 7.922 ( 2.823 0.000 12.620) 12.932 8.013 ( -5.362 -0.000 -9.496) 10.905 8.849 ( 9.077 0.000 10.417) 13.817 8.977 ( -1.316 -0.000 -13.192) 13.258 9.177 ( -2.769 -0.000 3.451) 4.425 9.210 ( -6.202 -0.000 -2.957) 6.870 9.419 ( -1.274 -0.000 13.789) 13.848 9.493 ( -4.898 -0.000 -11.109) 12.141 10.729 ( 2.324 0.000 -10.245) 10.505 10.781 ( -6.825 -0.000 9.433) 11.643 12.031 ( 0.865 0.000 23.111) 23.127 12.069 ( 2.806 0.000 -22.563) 22.737 12.554 ( 6.149 0.000 -5.758) 8.424 12.636 ( -5.701 -0.000 7.161) 9.153 12.842 ( 2.812 0.000 11.005) 11.359 12.940 ( -5.391 -0.000 -14.112) 15.107 13.859 ( 3.094 0.000 4.261) 5.266 13.903 ( -1.408 -0.000 -2.313) 2.708 14.618 ( 5.876 0.000 -2.913) 6.558 14.637 ( 3.552 0.000 3.467) 4.964 15.237 ( 9.008 0.000 -7.180) 11.519 15.330 ( 2.822 0.000 5.681) 6.343 15.431 ( -11.546 -0.000 4.260) 12.306 15.447 ( -5.684 -0.000 -5.744) 8.081 16.363 ( -0.409 -0.000 0.986) 1.067 16.373 ( -2.026 -0.000 -0.004) 2.026 16.694 ( 0.152 0.000 14.875) 14.875 16.728 ( -0.194 -0.000 -14.085) 14.086 24.349 ( 0.974 0.000 0.588) 1.138 24.375 ( -1.980 -0.000 -0.903) 2.176 24.571 ( 1.815 0.000 1.137) 2.142 24.600 ( -1.457 -0.000 -0.828) 1.676 26.018 ( 1.301 0.000 -4.288) 4.481 26.034 ( -1.763 -0.000 3.401) 3.831 26.482 ( 7.702 0.000 18.062) 19.636 26.606 ( -1.394 -0.000 -18.345) 18.398 26.809 ( 1.519 0.000 6.232) 6.414 26.866 ( -2.796 -0.000 -6.395) 6.979 27.051 ( 0.988 0.000 -6.298) 6.375 27.052 ( -0.984 -0.000 6.967) 7.036 29.009 ( 8.984 0.000 -6.736) 11.229 29.052 ( 4.146 0.000 6.661) 7.846 29.379 ( -8.675 -0.000 11.942) 14.760 29.456 ( -12.403 -0.000 -11.361) 16.820 ======================= Grid point 292 (140/140) ======================= q-point: ( 0.56 0.44 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.461 ( 1.439 -3.375 -3.620) 5.154 1.461 ( -1.439 -3.375 3.620) 5.154 2.081 ( 0.660 2.245 -1.196) 2.628 2.081 ( -0.660 2.245 1.196) 2.628 2.208 ( 3.075 -4.277 -10.659) 11.890 2.208 ( -3.075 -4.277 10.659) 11.890 2.421 ( 4.022 -7.702 -2.019) 8.921 2.421 ( -4.022 -7.702 2.019) 8.921 2.916 ( -4.202 -5.520 -3.266) 7.668 2.916 ( 4.202 -5.520 3.266) 7.668 3.088 ( 2.665 -0.502 -3.166) 4.169 3.088 ( -2.665 -0.502 3.166) 4.169 3.790 ( 1.003 3.573 -9.303) 10.016 3.790 ( -1.003 3.573 9.303) 10.016 4.033 ( 5.485 -3.114 -7.660) 9.923 4.033 ( -5.485 -3.114 7.660) 9.923 4.396 ( -1.660 -2.304 -2.050) 3.502 4.396 ( 1.660 -2.304 2.050) 3.502 4.549 ( 7.960 -5.060 -16.651) 19.137 4.549 ( -7.960 -5.060 16.651) 19.137 5.221 ( -3.224 0.303 -1.022) 3.396 5.221 ( 3.224 0.303 1.022) 3.396 5.612 ( -3.641 -2.494 -2.192) 4.928 5.612 ( 3.641 -2.494 2.192) 4.928 6.046 ( 0.618 6.414 -5.063) 8.195 6.046 ( -0.618 6.414 5.063) 8.195 6.483 ( 2.028 2.228 -10.271) 10.703 6.483 ( -2.028 2.228 10.271) 10.703 6.541 ( 4.805 0.504 -4.274) 6.450 6.541 ( -4.805 0.504 4.274) 6.450 6.885 ( -5.017 2.135 -1.588) 5.679 6.885 ( 5.017 2.135 1.588) 5.679 7.149 ( -4.210 3.420 -4.871) 7.290 7.149 ( 4.210 3.420 4.871) 7.290 7.415 ( 3.499 -3.284 -8.077) 9.395 7.415 ( -3.499 -3.284 8.077) 9.395 7.659 ( -1.455 -1.472 -6.637) 6.952 7.659 ( 1.455 -1.472 6.637) 6.952 7.751 ( 5.147 1.157 -6.750) 8.567 7.751 ( -5.147 1.157 6.750) 8.567 8.030 ( -4.803 -6.323 -5.907) 9.897 8.030 ( 4.803 -6.323 5.907) 9.897 8.833 ( -6.869 8.781 -8.823) 14.218 8.833 ( 6.869 8.781 8.823) 14.218 9.201 ( 1.750 -1.392 -4.722) 5.225 9.201 ( -1.750 -1.392 4.722) 5.225 9.467 ( -6.027 -2.193 -10.158) 12.013 9.467 ( 6.027 -2.193 10.158) 12.013 10.750 ( 4.621 -0.555 -9.474) 10.556 10.750 ( -4.621 -0.555 9.474) 10.556 12.015 ( 0.999 4.559 -21.407) 21.910 12.015 ( -0.999 4.559 21.407) 21.910 12.560 ( 5.877 3.732 -5.524) 8.888 12.560 ( -5.877 3.732 5.524) 8.888 12.928 ( -4.067 -4.165 -10.607) 12.099 12.928 ( 4.067 -4.165 10.607) 12.099 13.847 ( -1.863 3.715 -4.506) 6.130 13.847 ( 1.863 3.715 4.506) 6.130 14.642 ( 0.823 0.798 -2.306) 2.576 14.642 ( -0.823 0.798 2.306) 2.576 15.302 ( -2.912 0.914 -2.125) 3.719 15.302 ( 2.912 0.914 2.125) 3.719 15.412 ( -5.813 -1.257 -2.193) 6.339 15.412 ( 5.813 -1.257 2.193) 6.339 16.369 ( 0.802 -0.674 -1.245) 1.627 16.369 ( -0.802 -0.674 1.245) 1.627 16.717 ( 0.079 -0.543 -14.611) 14.622 16.717 ( -0.079 -0.543 14.611) 14.622 24.362 ( -1.501 -0.180 -0.695) 1.664 24.362 ( 1.501 -0.180 0.695) 1.664 24.586 ( -1.654 0.012 -0.807) 1.840 24.586 ( 1.654 0.012 0.807) 1.840 26.006 ( 0.803 1.990 -2.997) 3.686 26.006 ( -0.803 1.990 2.997) 3.686 26.499 ( -4.799 5.599 -14.904) 16.628 26.499 ( 4.799 5.599 14.904) 16.628 26.880 ( -1.704 -4.584 -8.246) 9.587 26.880 ( 1.704 -4.584 8.246) 9.587 27.103 ( 0.875 -5.120 -9.897) 11.177 27.103 ( -0.875 -5.120 9.897) 11.177 29.043 ( 3.626 1.811 -6.092) 7.317 29.043 ( -3.626 1.811 6.092) 7.317 29.373 ( -3.784 -0.107 -11.026) 11.658 29.373 ( 3.784 -0.107 11.026) 11.658 =================== 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 3/40824 10.0 431.574 339.619 371.836 -0.000 -12.775 0.000 3/40824 20.0 54.008 59.914 49.173 -0.000 -4.711 0.000 3/40824 30.0 22.844 26.181 21.934 -0.000 -3.347 0.000 3/40824 40.0 14.020 15.968 14.181 -0.000 -2.559 0.000 3/40824 50.0 9.856 11.184 10.348 -0.000 -1.969 0.000 3/40824 60.0 7.481 8.478 8.065 -0.000 -1.561 0.000 3/40824 70.0 5.985 6.777 6.576 -0.000 -1.278 0.000 3/40824 80.0 4.975 5.629 5.543 -0.000 -1.076 0.000 3/40824 90.0 4.257 4.810 4.794 -0.000 -0.927 0.000 3/40824 100.0 3.724 4.200 4.230 -0.000 -0.814 0.000 3/40824 110.0 3.315 3.731 3.793 -0.000 -0.726 0.000 3/40824 120.0 2.993 3.359 3.445 -0.000 -0.656 0.000 3/40824 130.0 2.732 3.058 3.162 -0.000 -0.599 0.000 3/40824 140.0 2.517 2.809 2.928 -0.000 -0.551 0.000 3/40824 150.0 2.336 2.600 2.732 -0.000 -0.511 0.000 3/40824 160.0 2.183 2.422 2.564 -0.000 -0.477 0.000 3/40824 170.0 2.050 2.268 2.420 -0.000 -0.448 0.000 3/40824 180.0 1.935 2.134 2.294 -0.000 -0.422 0.000 3/40824 190.0 1.833 2.016 2.184 -0.000 -0.400 0.000 3/40824 200.0 1.742 1.912 2.086 -0.000 -0.380 0.000 3/40824 210.0 1.661 1.819 1.998 -0.000 -0.362 0.000 3/40824 220.0 1.589 1.735 1.919 -0.000 -0.346 0.000 3/40824 230.0 1.522 1.660 1.847 -0.000 -0.331 0.000 3/40824 240.0 1.462 1.591 1.782 -0.000 -0.318 0.000 3/40824 250.0 1.407 1.529 1.723 -0.000 -0.306 0.000 3/40824 260.0 1.357 1.471 1.668 -0.000 -0.295 0.000 3/40824 270.0 1.310 1.418 1.617 -0.000 -0.285 0.000 3/40824 280.0 1.266 1.369 1.570 -0.000 -0.276 0.000 3/40824 290.0 1.226 1.324 1.526 -0.000 -0.267 0.000 3/40824 300.0 1.189 1.282 1.485 -0.000 -0.259 0.000 3/40824 310.0 1.153 1.243 1.446 -0.000 -0.252 0.000 3/40824 320.0 1.120 1.206 1.410 -0.000 -0.245 0.000 3/40824 330.0 1.089 1.172 1.375 -0.000 -0.238 0.000 3/40824 340.0 1.060 1.139 1.343 -0.000 -0.232 0.000 3/40824 350.0 1.033 1.109 1.312 -0.000 -0.226 0.000 3/40824 360.0 1.006 1.080 1.283 -0.000 -0.220 0.000 3/40824 370.0 0.982 1.053 1.255 -0.000 -0.215 0.000 3/40824 380.0 0.958 1.027 1.229 -0.000 -0.210 0.000 3/40824 390.0 0.936 1.002 1.203 -0.000 -0.205 0.000 3/40824 400.0 0.915 0.979 1.179 -0.000 -0.201 0.000 3/40824 410.0 0.894 0.957 1.156 -0.000 -0.197 0.000 3/40824 420.0 0.875 0.935 1.134 -0.000 -0.192 0.000 3/40824 430.0 0.856 0.915 1.112 -0.000 -0.188 0.000 3/40824 440.0 0.839 0.896 1.092 -0.000 -0.185 0.000 3/40824 450.0 0.822 0.877 1.072 -0.000 -0.181 0.000 3/40824 460.0 0.805 0.860 1.053 -0.000 -0.178 0.000 3/40824 470.0 0.790 0.843 1.034 -0.000 -0.174 0.000 3/40824 480.0 0.775 0.826 1.016 -0.000 -0.171 0.000 3/40824 490.0 0.760 0.811 0.999 -0.000 -0.168 0.000 3/40824 500.0 0.746 0.795 0.983 -0.000 -0.165 0.000 3/40824 510.0 0.733 0.781 0.967 -0.000 -0.162 0.000 3/40824 520.0 0.720 0.767 0.951 -0.000 -0.159 0.000 3/40824 530.0 0.707 0.753 0.936 -0.000 -0.157 0.000 3/40824 540.0 0.695 0.740 0.921 -0.000 -0.154 0.000 3/40824 550.0 0.684 0.728 0.907 -0.000 -0.152 0.000 3/40824 560.0 0.672 0.716 0.893 -0.000 -0.149 0.000 3/40824 570.0 0.662 0.704 0.880 -0.000 -0.147 0.000 3/40824 580.0 0.651 0.693 0.867 -0.000 -0.145 0.000 3/40824 590.0 0.641 0.681 0.855 -0.000 -0.142 0.000 3/40824 600.0 0.631 0.671 0.842 -0.000 -0.140 0.000 3/40824 610.0 0.621 0.660 0.830 -0.000 -0.138 0.000 3/40824 620.0 0.612 0.650 0.819 -0.000 -0.136 0.000 3/40824 630.0 0.603 0.641 0.808 -0.000 -0.134 0.000 3/40824 640.0 0.594 0.631 0.797 -0.000 -0.132 0.000 3/40824 650.0 0.586 0.622 0.786 -0.000 -0.130 0.000 3/40824 660.0 0.577 0.613 0.775 -0.000 -0.129 0.000 3/40824 670.0 0.569 0.605 0.765 -0.000 -0.127 0.000 3/40824 680.0 0.561 0.596 0.755 -0.000 -0.125 0.000 3/40824 690.0 0.554 0.588 0.746 -0.000 -0.124 0.000 3/40824 700.0 0.546 0.580 0.736 -0.000 -0.122 0.000 3/40824 710.0 0.539 0.572 0.727 -0.000 -0.120 0.000 3/40824 720.0 0.532 0.565 0.718 -0.000 -0.119 0.000 3/40824 730.0 0.525 0.557 0.709 -0.000 -0.117 0.000 3/40824 740.0 0.518 0.550 0.701 -0.000 -0.116 0.000 3/40824 750.0 0.512 0.543 0.693 -0.000 -0.114 0.000 3/40824 760.0 0.506 0.536 0.684 -0.000 -0.113 0.000 3/40824 770.0 0.499 0.530 0.676 -0.000 -0.112 0.000 3/40824 780.0 0.493 0.523 0.669 -0.000 -0.110 0.000 3/40824 790.0 0.487 0.517 0.661 -0.000 -0.109 0.000 3/40824 800.0 0.482 0.511 0.653 -0.000 -0.108 0.000 3/40824 810.0 0.476 0.505 0.646 -0.000 -0.107 0.000 3/40824 820.0 0.470 0.499 0.639 -0.000 -0.105 0.000 3/40824 830.0 0.465 0.493 0.632 -0.000 -0.104 0.000 3/40824 840.0 0.460 0.488 0.625 -0.000 -0.103 0.000 3/40824 850.0 0.455 0.482 0.618 -0.000 -0.102 0.000 3/40824 860.0 0.450 0.477 0.612 -0.000 -0.101 0.000 3/40824 870.0 0.445 0.471 0.605 -0.000 -0.100 0.000 3/40824 880.0 0.440 0.466 0.599 -0.000 -0.099 0.000 3/40824 890.0 0.435 0.461 0.593 -0.000 -0.098 0.000 3/40824 900.0 0.430 0.456 0.587 -0.000 -0.097 0.000 3/40824 910.0 0.426 0.451 0.581 -0.000 -0.096 0.000 3/40824 920.0 0.421 0.447 0.575 -0.000 -0.095 0.000 3/40824 930.0 0.417 0.442 0.570 -0.000 -0.094 0.000 3/40824 940.0 0.413 0.438 0.564 -0.000 -0.093 0.000 3/40824 950.0 0.409 0.433 0.558 -0.000 -0.092 0.000 3/40824 960.0 0.405 0.429 0.553 -0.000 -0.091 0.000 3/40824 970.0 0.401 0.425 0.548 -0.000 -0.090 0.000 3/40824 980.0 0.397 0.420 0.543 -0.000 -0.089 0.000 3/40824 990.0 0.393 0.416 0.537 -0.000 -0.088 0.000 3/40824 1000.0 0.389 0.412 0.532 -0.000 -0.087 0.000 3/40824 Thermal conductivity related properties were written into "kappa-m996.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 16:38:31]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|