----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-08 05:30:34]------------------------- Compiled with OpenMP support (max 128 threads). Running in phonopy.load mode. Python version 3.14.2 Spglib version 2.6.1 Crystal structure was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". Unit of length: angstrom Settings: Supercell: [2 1 1] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P2_1/c (14) Number of symmetry operations in supercell: 8 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 7.207066230024807 0.000000000000000 0.000000000000000 b 0.000000000000000 13.141177570000000 0.000000000000000 c -7.117052060035361 0.000000000000000 9.893998816214481 Atomic positions (fractional): *1 O 0.35239259810556 0.52297340086139 0.63510058989176 15.999 2 O 0.64760740189444 0.02297340086139 0.86489941010824 15.999 3 O 0.64760740189444 0.47702659913861 0.36489941010824 15.999 4 O 0.35239259810556 0.97702659913861 0.13510058989176 15.999 *5 O 0.33950572525072 0.33899269604956 0.58285063775863 15.999 6 O 0.66049427474928 0.83899269604956 0.91714936224137 15.999 7 O 0.66049427474928 0.66100730395044 0.41714936224137 15.999 8 O 0.33950572525072 0.16100730395044 0.08285063775863 15.999 *9 O 0.32148364516876 0.71241910399915 0.60525005789879 15.999 10 O 0.67851635483124 0.21241910399915 0.89474994210121 15.999 11 O 0.67851635483124 0.28758089600085 0.39474994210121 15.999 12 O 0.32148364516876 0.78758089600085 0.10525005789879 15.999 *13 O 0.20048780628568 0.33432676412664 0.29055275700643 15.999 14 O 0.79951219371432 0.83432676412664 0.20944724299357 15.999 15 O 0.79951219371432 0.66567323587336 0.70944724299357 15.999 16 O 0.20048780628568 0.16567323587336 0.79055275700643 15.999 *17 O 0.53029985826725 0.63350439775201 0.84559345589457 15.999 *18 O 0.09505767003653 0.35355066608440 0.90055597951438 15.999 19 O 0.46970014173274 0.13350439775201 0.65440654410543 15.999 20 O 0.53029985826725 0.86649560224799 0.34559345589457 15.999 *21 O 0.35959116699363 0.39255405294223 0.79255545231569 15.999 22 O 0.64040883300637 0.89255405294223 0.70744454768431 15.999 23 O 0.64040883300637 0.60744594705777 0.20744454768431 15.999 24 O 0.35959116699363 0.10744594705777 0.29255545231569 15.999 *25 O 0.79051032618678 0.18914201916166 0.15093458734361 15.999 26 O 0.20948967381322 0.68914201916166 0.34906541265639 15.999 27 O 0.20948967381322 0.81085798083834 0.84906541265639 15.999 28 O 0.79051032618678 0.31085798083834 0.65093458734361 15.999 *29 O 0.09783850152088 0.87343980491549 0.16960449069367 15.999 30 O 0.90216149847912 0.37343980491549 0.33039550930633 15.999 31 O 0.90216149847912 0.12656019508451 0.83039550930633 15.999 32 O 0.09783850152088 0.62656019508451 0.66960449069367 15.999 *33 O 0.92941081314941 0.01264612447453 0.21218456461617 15.999 34 O 0.07058918685059 0.51264612447452 0.28781543538383 15.999 35 O 0.07058918685059 0.98735387552548 0.78781543538383 15.999 36 O 0.92941081314941 0.48735387552547 0.71218456461617 15.999 *37 O 0.80496323042951 0.10815994197713 0.59070435928804 15.999 38 O 0.19503676957049 0.60815994197713 0.90929564071196 15.999 39 O 0.19503676957049 0.89184005802287 0.40929564071196 15.999 40 O 0.80496323042951 0.39184005802287 0.09070435928804 15.999 *41 O 0.70255830577944 0.08106522837248 0.29061106004463 15.999 42 O 0.29744169422056 0.58106522837248 0.20938893995537 15.999 43 O 0.29744169422056 0.91893477162752 0.70938893995537 15.999 44 O 0.70255830577944 0.41893477162752 0.79061106004463 15.999 45 O 0.09505767003653 0.14644933391560 0.40055597951437 15.999 46 O 0.90494232996347 0.64644933391560 0.09944402048563 15.999 47 O 0.90494232996347 0.85355066608440 0.59944402048562 15.999 48 O 0.46970014173274 0.36649560224799 0.15440654410543 15.999 *49 Na 0.06331654436295 0.22291622046942 0.56326473494840 22.990 50 Na 0.93668345563705 0.72291622046942 0.93673526505160 22.990 51 Na 0.93668345563705 0.77708377953058 0.43673526505160 22.990 52 Na 0.06331654436295 0.27708377953058 0.06326473494840 22.990 *53 P 0.88823525478395 0.38510486620481 0.76485841241785 30.974 *54 P 0.65544636533724 0.12931307061372 0.80301474309506 30.974 55 P 0.65544636533724 0.37068692938628 0.30301474309506 30.974 56 P 0.34455363466276 0.87068692938628 0.19698525690494 30.974 *57 P 0.99091078898220 0.39786168675014 0.24009784544502 30.974 58 P 0.00908921101780 0.89786168675014 0.25990215455498 30.974 59 P 0.00908921101780 0.60213831324986 0.75990215455498 30.974 60 P 0.99091078898220 0.10213831324986 0.74009784544502 30.974 61 P 0.34455363466276 0.62931307061372 0.69698525690494 30.974 62 P 0.11176474521605 0.88510486620481 0.73514158758215 30.974 *63 P 0.42915381385821 0.08966464818407 0.19963147971182 30.974 64 P 0.88823525478395 0.11489513379519 0.26485841241785 30.974 65 P 0.42915381385821 0.41033535181593 0.69963147971182 30.974 66 P 0.57084618614179 0.91033535181593 0.80036852028818 30.974 67 P 0.57084618614179 0.58966464818407 0.30036852028818 30.974 68 P 0.11176474521605 0.61489513379519 0.23514158758215 30.974 *69 Bi 0.46393240533907 0.21861067364430 0.47687477649567 208.980 70 Bi 0.53606759466093 0.71861067364430 0.02312522350433 208.980 71 Bi 0.53606759466093 0.78138932635570 0.52312522350433 208.980 72 Bi 0.46393240533907 0.28138932635570 0.97687477649567 208.980 -------------------------------- unit cell --------------------------------- Lattice vectors: a 7.207066230024807 0.000000000000000 0.000000000000000 b 0.000000000000000 13.141177570000000 0.000000000000000 c -7.117052060035361 0.000000000000000 9.893998816214481 Atomic positions (fractional): *1 O 0.35239259810556 0.52297340086139 0.63510058989176 15.999 > 1 2 O 0.64760740189444 0.02297340086139 0.86489941010824 15.999 > 2 3 O 0.64760740189444 0.47702659913861 0.36489941010824 15.999 > 3 4 O 0.35239259810556 0.97702659913861 0.13510058989176 15.999 > 4 *5 O 0.33950572525072 0.33899269604956 0.58285063775863 15.999 > 5 6 O 0.66049427474928 0.83899269604956 0.91714936224137 15.999 > 6 7 O 0.66049427474928 0.66100730395044 0.41714936224137 15.999 > 7 8 O 0.33950572525072 0.16100730395044 0.08285063775863 15.999 > 8 *9 O 0.32148364516876 0.71241910399915 0.60525005789879 15.999 > 9 10 O 0.67851635483124 0.21241910399915 0.89474994210121 15.999 > 10 11 O 0.67851635483124 0.28758089600085 0.39474994210121 15.999 > 11 12 O 0.32148364516876 0.78758089600085 0.10525005789879 15.999 > 12 *13 O 0.20048780628568 0.33432676412664 0.29055275700643 15.999 > 13 14 O 0.79951219371432 0.83432676412664 0.20944724299357 15.999 > 14 15 O 0.79951219371432 0.66567323587336 0.70944724299357 15.999 > 15 16 O 0.20048780628568 0.16567323587336 0.79055275700643 15.999 > 16 *17 O 0.53029985826725 0.63350439775201 0.84559345589457 15.999 > 17 *18 O 0.09505767003653 0.35355066608440 0.90055597951438 15.999 > 18 19 O 0.46970014173274 0.13350439775201 0.65440654410543 15.999 > 19 20 O 0.53029985826725 0.86649560224799 0.34559345589457 15.999 > 20 *21 O 0.35959116699363 0.39255405294223 0.79255545231569 15.999 > 21 22 O 0.64040883300637 0.89255405294223 0.70744454768431 15.999 > 22 23 O 0.64040883300637 0.60744594705777 0.20744454768431 15.999 > 23 24 O 0.35959116699363 0.10744594705777 0.29255545231569 15.999 > 24 *25 O 0.79051032618678 0.18914201916166 0.15093458734361 15.999 > 25 26 O 0.20948967381322 0.68914201916166 0.34906541265639 15.999 > 26 27 O 0.20948967381322 0.81085798083834 0.84906541265639 15.999 > 27 28 O 0.79051032618678 0.31085798083834 0.65093458734361 15.999 > 28 *29 O 0.09783850152088 0.87343980491549 0.16960449069367 15.999 > 29 30 O 0.90216149847912 0.37343980491549 0.33039550930633 15.999 > 30 31 O 0.90216149847912 0.12656019508451 0.83039550930633 15.999 > 31 32 O 0.09783850152088 0.62656019508451 0.66960449069367 15.999 > 32 *33 O 0.92941081314941 0.01264612447453 0.21218456461617 15.999 > 33 34 O 0.07058918685059 0.51264612447452 0.28781543538383 15.999 > 34 35 O 0.07058918685059 0.98735387552548 0.78781543538383 15.999 > 35 36 O 0.92941081314941 0.48735387552547 0.71218456461617 15.999 > 36 *37 O 0.80496323042951 0.10815994197713 0.59070435928804 15.999 > 37 38 O 0.19503676957049 0.60815994197713 0.90929564071196 15.999 > 38 39 O 0.19503676957049 0.89184005802287 0.40929564071196 15.999 > 39 40 O 0.80496323042951 0.39184005802287 0.09070435928804 15.999 > 40 *41 O 0.70255830577944 0.08106522837248 0.29061106004463 15.999 > 41 42 O 0.29744169422056 0.58106522837248 0.20938893995537 15.999 > 42 43 O 0.29744169422056 0.91893477162752 0.70938893995537 15.999 > 43 44 O 0.70255830577944 0.41893477162752 0.79061106004463 15.999 > 44 45 O 0.09505767003653 0.14644933391560 0.40055597951437 15.999 > 45 46 O 0.90494232996347 0.64644933391560 0.09944402048563 15.999 > 46 47 O 0.90494232996347 0.85355066608440 0.59944402048562 15.999 > 47 48 O 0.46970014173274 0.36649560224799 0.15440654410543 15.999 > 48 *49 Na 0.06331654436295 0.22291622046942 0.56326473494840 22.990 > 49 50 Na 0.93668345563705 0.72291622046942 0.93673526505160 22.990 > 50 51 Na 0.93668345563705 0.77708377953058 0.43673526505160 22.990 > 51 52 Na 0.06331654436295 0.27708377953058 0.06326473494840 22.990 > 52 *53 P 0.88823525478395 0.38510486620481 0.76485841241785 30.974 > 53 *54 P 0.65544636533724 0.12931307061372 0.80301474309506 30.974 > 54 55 P 0.65544636533724 0.37068692938628 0.30301474309506 30.974 > 55 56 P 0.34455363466276 0.87068692938628 0.19698525690494 30.974 > 56 *57 P 0.99091078898220 0.39786168675014 0.24009784544502 30.974 > 57 58 P 0.00908921101780 0.89786168675014 0.25990215455498 30.974 > 58 59 P 0.00908921101780 0.60213831324986 0.75990215455498 30.974 > 59 60 P 0.99091078898220 0.10213831324986 0.74009784544502 30.974 > 60 61 P 0.34455363466276 0.62931307061372 0.69698525690494 30.974 > 61 62 P 0.11176474521605 0.88510486620481 0.73514158758215 30.974 > 62 *63 P 0.42915381385821 0.08966464818407 0.19963147971182 30.974 > 63 64 P 0.88823525478395 0.11489513379519 0.26485841241785 30.974 > 64 65 P 0.42915381385821 0.41033535181593 0.69963147971182 30.974 > 65 66 P 0.57084618614179 0.91033535181593 0.80036852028818 30.974 > 66 67 P 0.57084618614179 0.58966464818407 0.30036852028818 30.974 > 67 68 P 0.11176474521605 0.61489513379519 0.23514158758215 30.974 > 68 *69 Bi 0.46393240533907 0.21861067364430 0.47687477649567 208.980 > 69 70 Bi 0.53606759466093 0.71861067364430 0.02312522350433 208.980 > 70 71 Bi 0.53606759466093 0.78138932635570 0.52312522350433 208.980 > 71 72 Bi 0.46393240533907 0.28138932635570 0.97687477649567 208.980 > 72 -------------------------------- super cell -------------------------------- Lattice vectors: a 14.414132460049615 0.000000000000000 0.000000000000000 b 0.000000000000000 13.141177570000000 0.000000000000000 c -7.117052060035361 0.000000000000000 9.893998816214481 Atomic positions (fractional): *1 O 0.17619629905278 0.52297340086139 0.63510058989176 15.999 > 1 2 O 0.67619629905278 0.52297340086139 0.63510058989176 15.999 > 1 3 O 0.32380370094722 0.02297340086139 0.86489941010824 15.999 > 2 4 O 0.82380370094722 0.02297340086139 0.86489941010824 15.999 > 2 5 O 0.32380370094722 0.47702659913861 0.36489941010824 15.999 > 3 6 O 0.82380370094722 0.47702659913861 0.36489941010824 15.999 > 3 7 O 0.17619629905278 0.97702659913861 0.13510058989176 15.999 > 4 8 O 0.67619629905278 0.97702659913861 0.13510058989176 15.999 > 4 *9 O 0.16975286262536 0.33899269604956 0.58285063775863 15.999 > 5 10 O 0.66975286262536 0.33899269604956 0.58285063775863 15.999 > 5 11 O 0.33024713737464 0.83899269604956 0.91714936224137 15.999 > 6 12 O 0.83024713737464 0.83899269604956 0.91714936224137 15.999 > 6 13 O 0.33024713737464 0.66100730395044 0.41714936224137 15.999 > 7 14 O 0.83024713737464 0.66100730395044 0.41714936224137 15.999 > 7 15 O 0.16975286262536 0.16100730395044 0.08285063775863 15.999 > 8 16 O 0.66975286262536 0.16100730395044 0.08285063775863 15.999 > 8 *17 O 0.16074182258438 0.71241910399915 0.60525005789879 15.999 > 9 18 O 0.66074182258438 0.71241910399915 0.60525005789879 15.999 > 9 19 O 0.33925817741562 0.21241910399915 0.89474994210121 15.999 > 10 20 O 0.83925817741562 0.21241910399915 0.89474994210121 15.999 > 10 21 O 0.33925817741562 0.28758089600085 0.39474994210121 15.999 > 11 22 O 0.83925817741562 0.28758089600085 0.39474994210121 15.999 > 11 23 O 0.16074182258438 0.78758089600085 0.10525005789879 15.999 > 12 24 O 0.66074182258438 0.78758089600085 0.10525005789879 15.999 > 12 *25 O 0.10024390314284 0.33432676412664 0.29055275700643 15.999 > 13 26 O 0.60024390314284 0.33432676412664 0.29055275700643 15.999 > 13 27 O 0.39975609685716 0.83432676412664 0.20944724299357 15.999 > 14 28 O 0.89975609685716 0.83432676412664 0.20944724299357 15.999 > 14 29 O 0.39975609685716 0.66567323587336 0.70944724299357 15.999 > 15 30 O 0.89975609685716 0.66567323587336 0.70944724299357 15.999 > 15 31 O 0.10024390314284 0.16567323587336 0.79055275700643 15.999 > 16 32 O 0.60024390314284 0.16567323587336 0.79055275700643 15.999 > 16 *33 O 0.26514992913363 0.63350439775201 0.84559345589457 15.999 > 17 34 O 0.76514992913363 0.63350439775201 0.84559345589457 15.999 > 17 *35 O 0.04752883501827 0.35355066608440 0.90055597951438 15.999 > 18 36 O 0.54752883501827 0.35355066608440 0.90055597951438 15.999 > 18 37 O 0.23485007086637 0.13350439775201 0.65440654410543 15.999 > 19 38 O 0.73485007086637 0.13350439775201 0.65440654410543 15.999 > 19 39 O 0.26514992913363 0.86649560224799 0.34559345589457 15.999 > 20 40 O 0.76514992913363 0.86649560224799 0.34559345589457 15.999 > 20 *41 O 0.17979558349681 0.39255405294223 0.79255545231569 15.999 > 21 42 O 0.67979558349681 0.39255405294223 0.79255545231569 15.999 > 21 43 O 0.32020441650319 0.89255405294223 0.70744454768431 15.999 > 22 44 O 0.82020441650319 0.89255405294223 0.70744454768431 15.999 > 22 45 O 0.32020441650319 0.60744594705777 0.20744454768431 15.999 > 23 46 O 0.82020441650319 0.60744594705777 0.20744454768431 15.999 > 23 47 O 0.17979558349681 0.10744594705777 0.29255545231569 15.999 > 24 48 O 0.67979558349681 0.10744594705777 0.29255545231569 15.999 > 24 *49 O 0.39525516309339 0.18914201916166 0.15093458734361 15.999 > 25 50 O 0.89525516309339 0.18914201916166 0.15093458734361 15.999 > 25 51 O 0.10474483690661 0.68914201916166 0.34906541265639 15.999 > 26 52 O 0.60474483690661 0.68914201916166 0.34906541265639 15.999 > 26 53 O 0.10474483690661 0.81085798083834 0.84906541265639 15.999 > 27 54 O 0.60474483690661 0.81085798083834 0.84906541265639 15.999 > 27 55 O 0.39525516309339 0.31085798083834 0.65093458734361 15.999 > 28 56 O 0.89525516309339 0.31085798083834 0.65093458734361 15.999 > 28 *57 O 0.04891925076044 0.87343980491549 0.16960449069367 15.999 > 29 58 O 0.54891925076044 0.87343980491549 0.16960449069367 15.999 > 29 59 O 0.45108074923956 0.37343980491549 0.33039550930633 15.999 > 30 60 O 0.95108074923956 0.37343980491549 0.33039550930633 15.999 > 30 61 O 0.45108074923956 0.12656019508451 0.83039550930633 15.999 > 31 62 O 0.95108074923956 0.12656019508451 0.83039550930633 15.999 > 31 63 O 0.04891925076044 0.62656019508451 0.66960449069367 15.999 > 32 64 O 0.54891925076044 0.62656019508451 0.66960449069367 15.999 > 32 *65 O 0.46470540657471 0.01264612447453 0.21218456461617 15.999 > 33 66 O 0.96470540657471 0.01264612447453 0.21218456461617 15.999 > 33 67 O 0.03529459342529 0.51264612447452 0.28781543538383 15.999 > 34 68 O 0.53529459342529 0.51264612447452 0.28781543538383 15.999 > 34 69 O 0.03529459342529 0.98735387552548 0.78781543538383 15.999 > 35 70 O 0.53529459342529 0.98735387552548 0.78781543538383 15.999 > 35 71 O 0.46470540657471 0.48735387552547 0.71218456461617 15.999 > 36 72 O 0.96470540657471 0.48735387552547 0.71218456461617 15.999 > 36 *73 O 0.40248161521476 0.10815994197713 0.59070435928804 15.999 > 37 74 O 0.90248161521476 0.10815994197713 0.59070435928804 15.999 > 37 75 O 0.09751838478524 0.60815994197713 0.90929564071196 15.999 > 38 76 O 0.59751838478524 0.60815994197713 0.90929564071196 15.999 > 38 77 O 0.09751838478524 0.89184005802287 0.40929564071196 15.999 > 39 78 O 0.59751838478524 0.89184005802287 0.40929564071196 15.999 > 39 79 O 0.40248161521476 0.39184005802287 0.09070435928804 15.999 > 40 80 O 0.90248161521476 0.39184005802287 0.09070435928804 15.999 > 40 *81 O 0.35127915288972 0.08106522837248 0.29061106004463 15.999 > 41 82 O 0.85127915288972 0.08106522837248 0.29061106004463 15.999 > 41 83 O 0.14872084711028 0.58106522837248 0.20938893995537 15.999 > 42 84 O 0.64872084711028 0.58106522837248 0.20938893995537 15.999 > 42 85 O 0.14872084711028 0.91893477162752 0.70938893995537 15.999 > 43 86 O 0.64872084711028 0.91893477162752 0.70938893995537 15.999 > 43 87 O 0.35127915288972 0.41893477162752 0.79061106004463 15.999 > 44 88 O 0.85127915288972 0.41893477162752 0.79061106004463 15.999 > 44 89 O 0.04752883501827 0.14644933391560 0.40055597951437 15.999 > 45 90 O 0.54752883501827 0.14644933391560 0.40055597951437 15.999 > 45 91 O 0.45247116498173 0.64644933391560 0.09944402048563 15.999 > 46 92 O 0.95247116498173 0.64644933391560 0.09944402048563 15.999 > 46 93 O 0.45247116498173 0.85355066608440 0.59944402048562 15.999 > 47 94 O 0.95247116498173 0.85355066608440 0.59944402048562 15.999 > 47 95 O 0.23485007086637 0.36649560224799 0.15440654410543 15.999 > 48 96 O 0.73485007086637 0.36649560224799 0.15440654410543 15.999 > 48 *97 Na 0.03165827218148 0.22291622046942 0.56326473494840 22.990 > 49 98 Na 0.53165827218148 0.22291622046942 0.56326473494840 22.990 > 49 99 Na 0.46834172781852 0.72291622046942 0.93673526505160 22.990 > 50 100 Na 0.96834172781852 0.72291622046942 0.93673526505160 22.990 > 50 101 Na 0.46834172781852 0.77708377953058 0.43673526505160 22.990 > 51 102 Na 0.96834172781852 0.77708377953058 0.43673526505160 22.990 > 51 103 Na 0.03165827218148 0.27708377953058 0.06326473494840 22.990 > 52 104 Na 0.53165827218148 0.27708377953058 0.06326473494840 22.990 > 52 *105 P 0.44411762739198 0.38510486620481 0.76485841241785 30.974 > 53 106 P 0.94411762739198 0.38510486620481 0.76485841241785 30.974 > 53 *107 P 0.32772318266862 0.12931307061372 0.80301474309506 30.974 > 54 108 P 0.82772318266862 0.12931307061372 0.80301474309506 30.974 > 54 109 P 0.32772318266862 0.37068692938628 0.30301474309506 30.974 > 55 110 P 0.82772318266862 0.37068692938628 0.30301474309506 30.974 > 55 111 P 0.17227681733138 0.87068692938628 0.19698525690494 30.974 > 56 112 P 0.67227681733138 0.87068692938628 0.19698525690494 30.974 > 56 *113 P 0.49545539449110 0.39786168675014 0.24009784544502 30.974 > 57 114 P 0.99545539449110 0.39786168675014 0.24009784544502 30.974 > 57 115 P 0.00454460550890 0.89786168675014 0.25990215455498 30.974 > 58 116 P 0.50454460550890 0.89786168675014 0.25990215455498 30.974 > 58 117 P 0.00454460550890 0.60213831324986 0.75990215455498 30.974 > 59 118 P 0.50454460550890 0.60213831324986 0.75990215455498 30.974 > 59 119 P 0.49545539449110 0.10213831324986 0.74009784544502 30.974 > 60 120 P 0.99545539449110 0.10213831324986 0.74009784544502 30.974 > 60 121 P 0.17227681733138 0.62931307061372 0.69698525690494 30.974 > 61 122 P 0.67227681733138 0.62931307061372 0.69698525690494 30.974 > 61 123 P 0.05588237260802 0.88510486620481 0.73514158758215 30.974 > 62 124 P 0.55588237260802 0.88510486620481 0.73514158758215 30.974 > 62 *125 P 0.21457690692910 0.08966464818407 0.19963147971182 30.974 > 63 126 P 0.71457690692910 0.08966464818407 0.19963147971182 30.974 > 63 127 P 0.44411762739198 0.11489513379519 0.26485841241785 30.974 > 64 128 P 0.94411762739198 0.11489513379519 0.26485841241785 30.974 > 64 129 P 0.21457690692910 0.41033535181593 0.69963147971182 30.974 > 65 130 P 0.71457690692910 0.41033535181593 0.69963147971182 30.974 > 65 131 P 0.28542309307090 0.91033535181593 0.80036852028818 30.974 > 66 132 P 0.78542309307090 0.91033535181593 0.80036852028818 30.974 > 66 133 P 0.28542309307090 0.58966464818407 0.30036852028818 30.974 > 67 134 P 0.78542309307090 0.58966464818407 0.30036852028818 30.974 > 67 135 P 0.05588237260802 0.61489513379519 0.23514158758215 30.974 > 68 136 P 0.55588237260802 0.61489513379519 0.23514158758215 30.974 > 68 *137 Bi 0.23196620266953 0.21861067364430 0.47687477649567 208.980 > 69 138 Bi 0.73196620266953 0.21861067364430 0.47687477649567 208.980 > 69 139 Bi 0.26803379733047 0.71861067364430 0.02312522350433 208.980 > 70 140 Bi 0.76803379733047 0.71861067364430 0.02312522350433 208.980 > 70 141 Bi 0.26803379733047 0.78138932635570 0.52312522350433 208.980 > 71 142 Bi 0.76803379733047 0.78138932635570 0.52312522350433 208.980 > 71 143 Bi 0.23196620266953 0.28138932635570 0.97687477649567 208.980 > 72 144 Bi 0.73196620266953 0.28138932635570 0.97687477649567 208.980 > 72 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 3.0220930 0.0000000 0.0265329 0.0000000 2.9769548 0.0000000 0.0265334 0.0000000 3.0689424 -------------------------- Born effective charges -------------------------- 1 O -1.0923056 0.7526233 0.1776195 0.3775990 -3.4669009 -0.0120189 0.1694644 0.0285141 -1.1288273 2 O -1.0923056 -0.7526233 0.1776195 -0.3775990 -3.4669009 0.0120189 0.1694644 -0.0285141 -1.1288273 3 O -1.0923056 0.7526233 0.1776195 0.3775990 -3.4669009 -0.0120189 0.1694644 0.0285141 -1.1288273 4 O -1.0923056 -0.7526233 0.1776195 -0.3775990 -3.4669009 0.0120189 0.1694644 -0.0285141 -1.1288273 5 O -1.3806053 0.5071138 0.3804172 0.3215623 -1.7132162 -0.6898006 0.3932365 -0.8441194 -1.8061394 6 O -1.3806053 -0.5071138 0.3804172 -0.3215623 -1.7132162 0.6898006 0.3932365 0.8441194 -1.8061394 7 O -1.3806053 0.5071138 0.3804172 0.3215623 -1.7132162 -0.6898006 0.3932365 -0.8441194 -1.8061394 8 O -1.3806053 -0.5071138 0.3804172 -0.3215623 -1.7132162 0.6898006 0.3932365 0.8441194 -1.8061394 9 O -1.8220046 -0.7322774 0.7408542 -0.5411948 -1.6897669 0.5141232 0.5712481 0.7586206 -1.6505961 10 O -1.8220046 0.7322774 0.7408542 0.5411948 -1.6897669 -0.5141232 0.5712481 -0.7586206 -1.6505961 11 O -1.8220046 -0.7322774 0.7408542 -0.5411948 -1.6897669 0.5141232 0.5712481 0.7586206 -1.6505961 12 O -1.8220046 0.7322774 0.7408542 0.5411948 -1.6897669 -0.5141232 0.5712481 -0.7586206 -1.6505961 13 O -1.8171342 0.6847708 -0.6377371 0.6488282 -1.7340181 0.5105363 -0.7038530 0.8530729 -1.7386703 14 O -1.8171342 -0.6847708 -0.6377371 -0.6488282 -1.7340181 -0.5105363 -0.7038530 -0.8530729 -1.7386703 15 O -1.8171342 0.6847708 -0.6377371 0.6488282 -1.7340181 0.5105363 -0.7038530 0.8530729 -1.7386703 16 O -1.8171342 -0.6847708 -0.6377371 -0.6488282 -1.7340181 -0.5105363 -0.7038530 -0.8530729 -1.7386703 17 O -1.2142203 0.1228301 0.4831110 0.1713114 -1.2455428 -0.8487191 0.2356563 -0.3222367 -2.4564725 18 O -1.8945203 0.4110551 -0.9803329 0.4500945 -1.3187586 0.6047014 -0.7056712 0.3968654 -1.9864494 19 O -1.2142203 -0.1228301 0.4831110 -0.1713114 -1.2455428 0.8487191 0.2356563 0.3222367 -2.4564725 20 O -1.2142203 -0.1228301 0.4831110 -0.1713114 -1.2455428 0.8487191 0.2356563 0.3222367 -2.4564725 21 O -1.7576698 -0.3021999 0.8918377 -0.4783062 -1.4756345 0.7837253 0.9149141 0.5382046 -2.0296002 22 O -1.7576698 0.3021999 0.8918377 0.4783062 -1.4756345 -0.7837253 0.9149141 -0.5382046 -2.0296002 23 O -1.7576698 -0.3021999 0.8918377 -0.4783062 -1.4756345 0.7837253 0.9149141 0.5382046 -2.0296002 24 O -1.7576698 0.3021999 0.8918377 0.4783062 -1.4756345 -0.7837253 0.9149141 -0.5382046 -2.0296002 25 O -1.1992293 0.2938260 -0.4697702 0.1812268 -1.8420581 0.8435368 -0.3040443 0.9621734 -2.1321334 26 O -1.1992293 -0.2938260 -0.4697702 -0.1812268 -1.8420581 -0.8435368 -0.3040443 -0.9621734 -2.1321334 27 O -1.1992293 0.2938260 -0.4697702 0.1812268 -1.8420581 0.8435368 -0.3040443 0.9621734 -2.1321334 28 O -1.1992293 -0.2938260 -0.4697702 -0.1812268 -1.8420581 -0.8435368 -0.3040443 -0.9621734 -2.1321334 29 O -3.1677217 0.3052953 0.4656145 0.1830124 -1.0158929 0.0390123 0.2341094 -0.1628526 -1.1748482 30 O -3.1677217 -0.3052953 0.4656145 -0.1830124 -1.0158929 -0.0390123 0.2341094 0.1628526 -1.1748482 31 O -3.1677217 0.3052953 0.4656145 0.1830124 -1.0158929 0.0390123 0.2341094 -0.1628526 -1.1748482 32 O -3.1677217 -0.3052953 0.4656145 -0.1830124 -1.0158929 -0.0390123 0.2341094 0.1628526 -1.1748482 33 O -1.2901778 0.9783910 -0.1232770 0.7749051 -3.5939264 0.0618066 -0.0910281 -0.0035428 -0.9587739 34 O -1.2901778 -0.9783910 -0.1232770 -0.7749051 -3.5939264 -0.0618066 -0.0910281 0.0035428 -0.9587739 35 O -1.2901778 0.9783910 -0.1232770 0.7749051 -3.5939264 0.0618066 -0.0910281 -0.0035428 -0.9587739 36 O -1.2901778 -0.9783910 -0.1232770 -0.7749051 -3.5939264 -0.0618066 -0.0910281 0.0035428 -0.9587739 37 O -1.5231235 0.3450412 -0.7091877 0.3273737 -1.3493465 0.6873167 -0.6806719 0.3622343 -2.1557150 38 O -1.5231235 -0.3450412 -0.7091877 -0.3273737 -1.3493465 -0.6873167 -0.6806719 -0.3622343 -2.1557150 39 O -1.5231235 0.3450412 -0.7091877 0.3273737 -1.3493465 0.6873167 -0.6806719 0.3622343 -2.1557150 40 O -1.5231235 -0.3450412 -0.7091877 -0.3273737 -1.3493465 -0.6873167 -0.6806719 -0.3622343 -2.1557150 41 O -3.2165756 -0.2902826 -0.5665405 -0.2181767 -1.0985503 -0.0589616 -0.3137585 0.1480743 -1.0687434 42 O -3.2165756 0.2902826 -0.5665405 0.2181767 -1.0985503 0.0589616 -0.3137585 -0.1480743 -1.0687434 43 O -3.2165756 -0.2902826 -0.5665405 -0.2181767 -1.0985503 -0.0589616 -0.3137585 0.1480743 -1.0687434 44 O -3.2165756 0.2902826 -0.5665405 0.2181767 -1.0985503 0.0589616 -0.3137585 -0.1480743 -1.0687434 45 O -1.8945203 -0.4110551 -0.9803329 -0.4500945 -1.3187586 -0.6047014 -0.7056712 -0.3968654 -1.9864494 46 O -1.8945203 0.4110551 -0.9803329 0.4500945 -1.3187586 0.6047014 -0.7056712 0.3968654 -1.9864494 47 O -1.8945203 -0.4110551 -0.9803329 -0.4500945 -1.3187586 -0.6047014 -0.7056712 -0.3968654 -1.9864494 48 O -1.2142203 0.1228301 0.4831110 0.1713114 -1.2455428 -0.8487191 0.2356563 -0.3222367 -2.4564725 49 Na 1.2653457 0.0470595 -0.0340274 -0.0313572 0.9409920 -0.0505718 -0.0126506 -0.0144808 1.2237742 50 Na 1.2653457 -0.0470595 -0.0340274 0.0313572 0.9409920 0.0505718 -0.0126506 0.0144808 1.2237742 51 Na 1.2653457 0.0470595 -0.0340274 -0.0313572 0.9409920 -0.0505718 -0.0126506 -0.0144808 1.2237742 52 Na 1.2653457 -0.0470595 -0.0340274 0.0313572 0.9409920 0.0505718 -0.0126506 0.0144808 1.2237742 53 P 3.8644665 0.2700294 0.6588722 0.3326530 4.2806361 -0.4843019 0.2529717 0.3649577 3.3686329 54 P 3.6783636 -0.2446585 -0.6937233 0.0929142 4.0008098 -0.6326373 -0.0408273 0.6272503 3.4057437 55 P 3.6783636 0.2446585 -0.6937233 -0.0929142 4.0008098 0.6326373 -0.0408273 -0.6272503 3.4057437 56 P 3.6783636 -0.2446585 -0.6937233 0.0929142 4.0008098 -0.6326373 -0.0408273 0.6272503 3.4057437 57 P 3.8711204 0.2038231 0.3120593 -0.2279193 4.1525851 0.8741256 0.6875454 -0.3590760 3.1942800 58 P 3.8711204 -0.2038231 0.3120593 0.2279193 4.1525851 -0.8741256 0.6875454 0.3590760 3.1942800 59 P 3.8711204 0.2038231 0.3120593 -0.2279193 4.1525851 0.8741256 0.6875454 -0.3590760 3.1942800 60 P 3.8711204 -0.2038231 0.3120593 0.2279193 4.1525851 -0.8741256 0.6875454 0.3590760 3.1942800 61 P 3.6783636 0.2446585 -0.6937233 -0.0929142 4.0008098 0.6326373 -0.0408273 -0.6272503 3.4057437 62 P 3.8644665 -0.2700294 0.6588722 -0.3326530 4.2806361 0.4843019 0.2529717 -0.3649577 3.3686329 63 P 3.8185568 0.4982354 0.0728365 -0.2369744 4.0496082 0.3939346 -0.7053359 -0.5595490 3.1774462 64 P 3.8644665 -0.2700294 0.6588722 -0.3326530 4.2806361 0.4843019 0.2529717 -0.3649577 3.3686329 65 P 3.8185568 -0.4982354 0.0728365 0.2369744 4.0496082 -0.3939346 -0.7053359 0.5595490 3.1774462 66 P 3.8185568 0.4982354 0.0728365 -0.2369744 4.0496082 0.3939346 -0.7053359 -0.5595490 3.1774462 67 P 3.8185568 -0.4982354 0.0728365 0.2369744 4.0496082 -0.3939346 -0.7053359 0.5595490 3.1774462 68 P 3.8644665 0.2700294 0.6588722 0.3326530 4.2806361 -0.4843019 0.2529717 0.3649577 3.3686329 69 Bi 4.8774349 -0.2385778 0.0313740 0.2859747 4.1189809 0.0884918 0.0986951 0.0948333 5.9170920 70 Bi 4.8774349 0.2385778 0.0313740 -0.2859747 4.1189809 -0.0884918 0.0986951 -0.0948333 5.9170920 71 Bi 4.8774349 -0.2385778 0.0313740 0.2859747 4.1189809 0.0884918 0.0986951 0.0948333 5.9170920 72 Bi 4.8774349 0.2385778 0.0313740 -0.2859747 4.1189809 -0.0884918 0.0986951 -0.0948333 5.9170920 ---------------------------------------------------------------------------- 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: 432/432 Permutation basis: 46872/46872 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 11880 Number of blocks in projector: 11880 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: 2592 Use submatrix version of eigh solver. (1) Block: 500 / 2592 (2) Block: 250 / 500 (2) 216 eigenvectors found. (2) Block: 500 / 500 (2) 214 eigenvectors found. (2) Complementary block size: 70 (2) Compute compressed projector. (2) Use standard solver. (2) 34 eigenvectors found. (1) 464 eigenvectors found. (1) Block: 1000 / 2592 (2) Block: 250 / 500 (2) 216 eigenvectors found. (2) Block: 500 / 500 (2) 218 eigenvectors found. (2) Complementary block size: 66 (2) Compute compressed projector. (2) Use standard solver. (2) 32 eigenvectors found. (1) 466 eigenvectors found. (1) Block: 1500 / 2592 (2) Block: 250 / 500 (2) 222 eigenvectors found. (2) Block: 500 / 500 (2) 226 eigenvectors found. (2) Complementary block size: 52 (2) Compute compressed projector. (2) Use standard solver. (2) 24 eigenvectors found. (1) 472 eigenvectors found. (1) Block: 2000 / 2592 (2) Block: 250 / 500 (2) 230 eigenvectors found. (2) Block: 500 / 500 (2) 232 eigenvectors found. (2) Complementary block size: 38 (2) Compute compressed projector. (2) Use standard solver. (2) 18 eigenvectors found. (1) 480 eigenvectors found. (1) Block: 2592 / 2592 (2) Block: 250 / 592 (2) 219 eigenvectors found. (2) Block: 500 / 592 (2) 218 eigenvectors found. (2) Block: 592 / 592 (2) 66 eigenvectors found. (2) Complementary block size: 89 (2) Compute compressed projector. (2) Use standard solver. (2) 53 eigenvectors found. (1) 556 eigenvectors found. (1) Complementary block size: 154 (1) Compute compressed projector. (1) Use standard solver. (1) 118 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 2592 Use submatrix version of eigh solver. (1) Block: 500 / 2592 (2) Block: 250 / 500 (2) 216 eigenvectors found. (2) Block: 500 / 500 (2) 214 eigenvectors found. (2) Complementary block size: 70 (2) Compute compressed projector. (2) Use standard solver. (2) 34 eigenvectors found. (1) 464 eigenvectors found. (1) Block: 1000 / 2592 (2) Block: 250 / 500 (2) 216 eigenvectors found. (2) Block: 500 / 500 (2) 218 eigenvectors found. (2) Complementary block size: 66 (2) Compute compressed projector. (2) Use standard solver. (2) 32 eigenvectors found. (1) 466 eigenvectors found. (1) Block: 1500 / 2592 (2) Block: 250 / 500 (2) 222 eigenvectors found. (2) Block: 500 / 500 (2) 226 eigenvectors found. (2) Complementary block size: 52 (2) Compute compressed projector. (2) Use standard solver. (2) 24 eigenvectors found. (1) 472 eigenvectors found. (1) Block: 2000 / 2592 (2) Block: 250 / 500 (2) 230 eigenvectors found. (2) Block: 500 / 500 (2) 232 eigenvectors found. (2) Complementary block size: 38 (2) Compute compressed projector. (2) Use standard solver. (2) 18 eigenvectors found. (1) 480 eigenvectors found. (1) Block: 2592 / 2592 (2) Block: 250 / 592 (2) 219 eigenvectors found. (2) Block: 500 / 592 (2) 218 eigenvectors found. (2) Block: 592 / 592 (2) 66 eigenvectors found. (2) Complementary block size: 89 (2) Compute compressed projector. (2) Use standard solver. (2) 53 eigenvectors found. (1) 556 eigenvectors found. (1) Complementary block size: 154 (1) Compute compressed projector. (1) Use standard solver. (1) 118 eigenvectors found. --- Eigsh_solver_block: 3 / 6 --- Block_size: 2592 Use submatrix version of eigh solver. (1) Block: 500 / 2592 (2) Block: 250 / 500 (2) 217 eigenvectors found. (2) Block: 500 / 500 (2) 215 eigenvectors found. (2) Complementary block size: 68 (2) Compute compressed projector. (2) Use standard solver. (2) 33 eigenvectors found. (1) 465 eigenvectors found. (1) Block: 1000 / 2592 (2) Block: 250 / 500 (2) 217 eigenvectors found. (2) Block: 500 / 500 (2) 219 eigenvectors found. (2) Complementary block size: 64 (2) Compute compressed projector. (2) Use standard solver. (2) 31 eigenvectors found. (1) 467 eigenvectors found. (1) Block: 1500 / 2592 (2) Block: 250 / 500 (2) 221 eigenvectors found. (2) Block: 500 / 500 (2) 225 eigenvectors found. (2) Complementary block size: 54 (2) Compute compressed projector. (2) Use standard solver. (2) 25 eigenvectors found. (1) 471 eigenvectors found. (1) Block: 2000 / 2592 (2) Block: 250 / 500 (2) 227 eigenvectors found. (2) Block: 500 / 500 (2) 229 eigenvectors found. (2) Complementary block size: 44 (2) Compute compressed projector. (2) Use standard solver. (2) 21 eigenvectors found. (1) 477 eigenvectors found. (1) Block: 2592 / 2592 (2) Block: 250 / 592 (2) 233 eigenvectors found. (2) Block: 500 / 592 (2) 237 eigenvectors found. (2) Block: 592 / 592 (2) 85 eigenvectors found. (2) Complementary block size: 37 (2) Compute compressed projector. (2) Use standard solver. (2) 20 eigenvectors found. (1) 575 eigenvectors found. (1) Complementary block size: 137 (1) Compute compressed projector. (1) Use standard solver. (1) 102 eigenvectors found. --- Eigsh_solver_block: 4 / 6 --- Block_size: 1368 Use submatrix version of eigh solver. (1) Block: 500 / 1368 (2) Block: 250 / 500 (2) 232 eigenvectors found. (2) Block: 500 / 500 (2) 233 eigenvectors found. (2) Complementary block size: 35 (2) Compute compressed projector. (2) Use standard solver. (2) 17 eigenvectors found. (1) 482 eigenvectors found. (1) Block: 1000 / 1368 (2) Block: 250 / 500 (2) 235 eigenvectors found. (2) Block: 500 / 500 (2) 238 eigenvectors found. (2) Complementary block size: 27 (2) Compute compressed projector. (2) Use standard solver. (2) 12 eigenvectors found. (1) 485 eigenvectors found. (1) Block: 1368 / 1368 (1) 350 eigenvectors found. (1) Complementary block size: 51 (1) Compute compressed projector. (1) Use standard solver. (1) 33 eigenvectors found. --- Eigsh_solver_block: 5 / 6 --- Block_size: 1368 Use submatrix version of eigh solver. (1) Block: 500 / 1368 (2) Block: 250 / 500 (2) 232 eigenvectors found. (2) Block: 500 / 500 (2) 233 eigenvectors found. (2) Complementary block size: 35 (2) Compute compressed projector. (2) Use standard solver. (2) 17 eigenvectors found. (1) 482 eigenvectors found. (1) Block: 1000 / 1368 (2) Block: 250 / 500 (2) 235 eigenvectors found. (2) Block: 500 / 500 (2) 238 eigenvectors found. (2) Complementary block size: 27 (2) Compute compressed projector. (2) Use standard solver. (2) 12 eigenvectors found. (1) 485 eigenvectors found. (1) Block: 1368 / 1368 (1) 350 eigenvectors found. (1) Complementary block size: 51 (1) Compute compressed projector. (1) Use standard solver. (1) 33 eigenvectors found. --- Eigsh_solver_block: 6 / 6 --- Block_size: 1368 Use submatrix version of eigh solver. (1) Block: 500 / 1368 (2) Block: 250 / 500 (2) 232 eigenvectors found. (2) Block: 500 / 500 (2) 233 eigenvectors found. (2) Complementary block size: 35 (2) Compute compressed projector. (2) Use standard solver. (2) 17 eigenvectors found. (1) 482 eigenvectors found. (1) Block: 1000 / 1368 (2) Block: 250 / 500 (2) 235 eigenvectors found. (2) Block: 500 / 500 (2) 238 eigenvectors found. (2) Complementary block size: 27 (2) Compute compressed projector. (2) Use standard solver. (2) 12 eigenvectors found. (1) 485 eigenvectors found. (1) Block: 1368 / 1368 (1) 350 eigenvectors found. (1) Complementary block size: 51 (1) Compute compressed projector. (1) Use standard solver. (1) 33 eigenvectors found. Tree of FC basis block matrices: - (11880, 11719), data: False |-- (1368, 1350), data: False |-- (1368, 33), data: (1368, 51) @ (51, 33) |-- (368, 350), data: True |-- (500, 485), data: False |-- (500, 12), data: (500, 27) @ (27, 12) |-- (250, 238), data: True |-- (250, 235), data: True |-- (500, 482), data: False |-- (500, 17), data: (500, 35) @ (35, 17) |-- (250, 233), data: True |-- (250, 232), data: True |-- (1368, 1350), data: False |-- (1368, 33), data: (1368, 51) @ (51, 33) |-- (368, 350), data: True |-- (500, 485), data: False |-- (500, 12), data: (500, 27) @ (27, 12) |-- (250, 238), data: True |-- (250, 235), data: True |-- (500, 482), data: False |-- (500, 17), data: (500, 35) @ (35, 17) |-- (250, 233), data: True |-- (250, 232), data: True |-- (1368, 1350), data: False |-- (1368, 33), data: (1368, 51) @ (51, 33) |-- (368, 350), data: True |-- (500, 485), data: False |-- (500, 12), data: (500, 27) @ (27, 12) |-- (250, 238), data: True |-- (250, 235), data: True |-- (500, 482), data: False |-- (500, 17), data: (500, 35) @ (35, 17) |-- (250, 233), data: True |-- (250, 232), data: True |-- (2592, 2557), data: False |-- (2592, 102), data: (2592, 137) @ (137, 102) |-- (592, 575), data: False |-- (592, 20), data: (592, 37) @ (37, 20) |-- (92, 85), data: True |-- (250, 237), data: True |-- (250, 233), data: True |-- (500, 477), data: False |-- (500, 21), data: (500, 44) @ (44, 21) |-- (250, 229), data: True |-- (250, 227), data: True |-- (500, 471), data: False |-- (500, 25), data: (500, 54) @ (54, 25) |-- (250, 225), data: True |-- (250, 221), data: True |-- (500, 467), data: False |-- (500, 31), data: (500, 64) @ (64, 31) |-- (250, 219), data: True |-- (250, 217), data: True |-- (500, 465), data: False |-- (500, 33), data: (500, 68) @ (68, 33) |-- (250, 215), data: True |-- (250, 217), data: True |-- (2592, 2556), data: False |-- (2592, 118), data: (2592, 154) @ (154, 118) |-- (592, 556), data: False |-- (592, 53), data: (592, 89) @ (89, 53) |-- (92, 66), data: True |-- (250, 218), data: True |-- (250, 219), data: True |-- (500, 480), data: False |-- (500, 18), data: (500, 38) @ (38, 18) |-- (250, 232), data: True |-- (250, 230), data: True |-- (500, 472), data: False |-- (500, 24), data: (500, 52) @ (52, 24) |-- (250, 226), data: True |-- (250, 222), data: True |-- (500, 466), data: False |-- (500, 32), data: (500, 66) @ (66, 32) |-- (250, 218), data: True |-- (250, 216), data: True |-- (500, 464), data: False |-- (500, 34), data: (500, 70) @ (70, 34) |-- (250, 214), data: True |-- (250, 216), data: True |-- (2592, 2556), data: False |-- (2592, 118), data: (2592, 154) @ (154, 118) |-- (592, 556), data: False |-- (592, 53), data: (592, 89) @ (89, 53) |-- (92, 66), data: True |-- (250, 218), data: True |-- (250, 219), data: True |-- (500, 480), data: False |-- (500, 18), data: (500, 38) @ (38, 18) |-- (250, 232), data: True |-- (250, 230), data: True |-- (500, 472), data: False |-- (500, 24), data: (500, 52) @ (52, 24) |-- (250, 226), data: True |-- (250, 222), data: True |-- (500, 466), data: False |-- (500, 32), data: (500, 66) @ (66, 32) |-- (250, 218), data: True |-- (250, 216), data: True |-- (500, 464), data: False |-- (500, 34), data: (500, 70) @ (70, 34) |-- (250, 214), data: True |-- (250, 216), data: True ----- Solver_atoms: 1 -- 144 / 144 Time (Solver_compr_matrix_reshape): 0.005 Solver_block: 100 / 2160 - Time: 4.428 Solver_block: 200 / 2160 - Time: 4.953 Solver_block: 300 / 2160 - Time: 6.496 Solver_block: 400 / 2160 - Time: 6.055 Solver_block: 500 / 2160 - Time: 7.115 Solver_block: 600 / 2160 - Time: 6.602 Solver_block: 700 / 2160 - Time: 7.170 Solver_block: 800 / 2160 - Time: 6.096 Solver_block: 900 / 2160 - Time: 6.361 Solver_block: 1000 / 2160 - Time: 7.057 Solver_block: 1100 / 2160 - Time: 6.731 Solver_block: 1200 / 2160 - Time: 6.418 Solver_block: 1300 / 2160 - Time: 6.621 Solver_block: 1400 / 2160 - Time: 6.472 Solver_block: 1500 / 2160 - Time: 6.611 Solver_block: 1600 / 2160 - Time: 6.158 Solver_block: 1700 / 2160 - Time: 7.455 Solver_block: 1800 / 2160 - Time: 6.164 Solver_block: 1900 / 2160 - Time: 6.782 Solver_block: 2000 / 2160 - Time: 6.509 Solver_block: 2100 / 2160 - Time: 6.388 Solver_block: 2160 / 2160 - Time: 4.222 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 143.845 --------------------------------- Symfc end -------------------------------- Max drift of force constants: -0.00000000 (xx) -0.00000000 (xx) Permutation basis: 432/432 Permutation basis: 46872/46872 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 11880 Number of blocks in projector: 11880 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: 2592 Use submatrix version of eigh solver. (1) Block: 500 / 2592 (2) Block: 250 / 500 (2) 216 eigenvectors found. (2) Block: 500 / 500 (2) 214 eigenvectors found. (2) Complementary block size: 70 (2) Compute compressed projector. (2) Use standard solver. (2) 34 eigenvectors found. (1) 464 eigenvectors found. (1) Block: 1000 / 2592 (2) Block: 250 / 500 (2) 216 eigenvectors found. (2) Block: 500 / 500 (2) 218 eigenvectors found. (2) Complementary block size: 66 (2) Compute compressed projector. (2) Use standard solver. (2) 32 eigenvectors found. (1) 466 eigenvectors found. (1) Block: 1500 / 2592 (2) Block: 250 / 500 (2) 222 eigenvectors found. (2) Block: 500 / 500 (2) 226 eigenvectors found. (2) Complementary block size: 52 (2) Compute compressed projector. (2) Use standard solver. (2) 24 eigenvectors found. (1) 472 eigenvectors found. (1) Block: 2000 / 2592 (2) Block: 250 / 500 (2) 230 eigenvectors found. (2) Block: 500 / 500 (2) 232 eigenvectors found. (2) Complementary block size: 38 (2) Compute compressed projector. (2) Use standard solver. (2) 18 eigenvectors found. (1) 480 eigenvectors found. (1) Block: 2592 / 2592 (2) Block: 250 / 592 (2) 219 eigenvectors found. (2) Block: 500 / 592 (2) 218 eigenvectors found. (2) Block: 592 / 592 (2) 66 eigenvectors found. (2) Complementary block size: 89 (2) Compute compressed projector. (2) Use standard solver. (2) 53 eigenvectors found. (1) 556 eigenvectors found. (1) Complementary block size: 154 (1) Compute compressed projector. (1) Use standard solver. (1) 118 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 2592 Use submatrix version of eigh solver. (1) Block: 500 / 2592 (2) Block: 250 / 500 (2) 216 eigenvectors found. (2) Block: 500 / 500 (2) 214 eigenvectors found. (2) Complementary block size: 70 (2) Compute compressed projector. (2) Use standard solver. (2) 34 eigenvectors found. (1) 464 eigenvectors found. (1) Block: 1000 / 2592 (2) Block: 250 / 500 (2) 216 eigenvectors found. (2) Block: 500 / 500 (2) 218 eigenvectors found. (2) Complementary block size: 66 (2) Compute compressed projector. (2) Use standard solver. (2) 32 eigenvectors found. (1) 466 eigenvectors found. (1) Block: 1500 / 2592 (2) Block: 250 / 500 (2) 222 eigenvectors found. (2) Block: 500 / 500 (2) 226 eigenvectors found. (2) Complementary block size: 52 (2) Compute compressed projector. (2) Use standard solver. (2) 24 eigenvectors found. (1) 472 eigenvectors found. (1) Block: 2000 / 2592 (2) Block: 250 / 500 (2) 230 eigenvectors found. (2) Block: 500 / 500 (2) 232 eigenvectors found. (2) Complementary block size: 38 (2) Compute compressed projector. (2) Use standard solver. (2) 18 eigenvectors found. (1) 480 eigenvectors found. (1) Block: 2592 / 2592 (2) Block: 250 / 592 (2) 219 eigenvectors found. (2) Block: 500 / 592 (2) 218 eigenvectors found. (2) Block: 592 / 592 (2) 66 eigenvectors found. (2) Complementary block size: 89 (2) Compute compressed projector. (2) Use standard solver. (2) 53 eigenvectors found. (1) 556 eigenvectors found. (1) Complementary block size: 154 (1) Compute compressed projector. (1) Use standard solver. (1) 118 eigenvectors found. --- Eigsh_solver_block: 3 / 6 --- Block_size: 2592 Use submatrix version of eigh solver. (1) Block: 500 / 2592 (2) Block: 250 / 500 (2) 217 eigenvectors found. (2) Block: 500 / 500 (2) 215 eigenvectors found. (2) Complementary block size: 68 (2) Compute compressed projector. (2) Use standard solver. (2) 33 eigenvectors found. (1) 465 eigenvectors found. (1) Block: 1000 / 2592 (2) Block: 250 / 500 (2) 217 eigenvectors found. (2) Block: 500 / 500 (2) 219 eigenvectors found. (2) Complementary block size: 64 (2) Compute compressed projector. (2) Use standard solver. (2) 31 eigenvectors found. (1) 467 eigenvectors found. (1) Block: 1500 / 2592 (2) Block: 250 / 500 (2) 221 eigenvectors found. (2) Block: 500 / 500 (2) 225 eigenvectors found. (2) Complementary block size: 54 (2) Compute compressed projector. (2) Use standard solver. (2) 25 eigenvectors found. (1) 471 eigenvectors found. (1) Block: 2000 / 2592 (2) Block: 250 / 500 (2) 227 eigenvectors found. (2) Block: 500 / 500 (2) 229 eigenvectors found. (2) Complementary block size: 44 (2) Compute compressed projector. (2) Use standard solver. (2) 21 eigenvectors found. (1) 477 eigenvectors found. (1) Block: 2592 / 2592 (2) Block: 250 / 592 (2) 233 eigenvectors found. (2) Block: 500 / 592 (2) 237 eigenvectors found. (2) Block: 592 / 592 (2) 85 eigenvectors found. (2) Complementary block size: 37 (2) Compute compressed projector. (2) Use standard solver. (2) 20 eigenvectors found. (1) 575 eigenvectors found. (1) Complementary block size: 137 (1) Compute compressed projector. (1) Use standard solver. (1) 102 eigenvectors found. --- Eigsh_solver_block: 4 / 6 --- Block_size: 1368 Use submatrix version of eigh solver. (1) Block: 500 / 1368 (2) Block: 250 / 500 (2) 232 eigenvectors found. (2) Block: 500 / 500 (2) 233 eigenvectors found. (2) Complementary block size: 35 (2) Compute compressed projector. (2) Use standard solver. (2) 17 eigenvectors found. (1) 482 eigenvectors found. (1) Block: 1000 / 1368 (2) Block: 250 / 500 (2) 235 eigenvectors found. (2) Block: 500 / 500 (2) 238 eigenvectors found. (2) Complementary block size: 27 (2) Compute compressed projector. (2) Use standard solver. (2) 12 eigenvectors found. (1) 485 eigenvectors found. (1) Block: 1368 / 1368 (1) 350 eigenvectors found. (1) Complementary block size: 51 (1) Compute compressed projector. (1) Use standard solver. (1) 33 eigenvectors found. --- Eigsh_solver_block: 5 / 6 --- Block_size: 1368 Use submatrix version of eigh solver. (1) Block: 500 / 1368 (2) Block: 250 / 500 (2) 232 eigenvectors found. (2) Block: 500 / 500 (2) 233 eigenvectors found. (2) Complementary block size: 35 (2) Compute compressed projector. (2) Use standard solver. (2) 17 eigenvectors found. (1) 482 eigenvectors found. (1) Block: 1000 / 1368 (2) Block: 250 / 500 (2) 235 eigenvectors found. (2) Block: 500 / 500 (2) 238 eigenvectors found. (2) Complementary block size: 27 (2) Compute compressed projector. (2) Use standard solver. (2) 12 eigenvectors found. (1) 485 eigenvectors found. (1) Block: 1368 / 1368 (1) 350 eigenvectors found. (1) Complementary block size: 51 (1) Compute compressed projector. (1) Use standard solver. (1) 33 eigenvectors found. --- Eigsh_solver_block: 6 / 6 --- Block_size: 1368 Use submatrix version of eigh solver. (1) Block: 500 / 1368 (2) Block: 250 / 500 (2) 232 eigenvectors found. (2) Block: 500 / 500 (2) 233 eigenvectors found. (2) Complementary block size: 35 (2) Compute compressed projector. (2) Use standard solver. (2) 17 eigenvectors found. (1) 482 eigenvectors found. (1) Block: 1000 / 1368 (2) Block: 250 / 500 (2) 235 eigenvectors found. (2) Block: 500 / 500 (2) 238 eigenvectors found. (2) Complementary block size: 27 (2) Compute compressed projector. (2) Use standard solver. (2) 12 eigenvectors found. (1) 485 eigenvectors found. (1) Block: 1368 / 1368 (1) 350 eigenvectors found. (1) Complementary block size: 51 (1) Compute compressed projector. (1) Use standard solver. (1) 33 eigenvectors found. Tree of FC basis block matrices: - (11880, 11719), data: False |-- (1368, 1350), data: False |-- (1368, 33), data: (1368, 51) @ (51, 33) |-- (368, 350), data: True |-- (500, 485), data: False |-- (500, 12), data: (500, 27) @ (27, 12) |-- (250, 238), data: True |-- (250, 235), data: True |-- (500, 482), data: False |-- (500, 17), data: (500, 35) @ (35, 17) |-- (250, 233), data: True |-- (250, 232), data: True |-- (1368, 1350), data: False |-- (1368, 33), data: (1368, 51) @ (51, 33) |-- (368, 350), data: True |-- (500, 485), data: False |-- (500, 12), data: (500, 27) @ (27, 12) |-- (250, 238), data: True |-- (250, 235), data: True |-- (500, 482), data: False |-- (500, 17), data: (500, 35) @ (35, 17) |-- (250, 233), data: True |-- (250, 232), data: True |-- (1368, 1350), data: False |-- (1368, 33), data: (1368, 51) @ (51, 33) |-- (368, 350), data: True |-- (500, 485), data: False |-- (500, 12), data: (500, 27) @ (27, 12) |-- (250, 238), data: True |-- (250, 235), data: True |-- (500, 482), data: False |-- (500, 17), data: (500, 35) @ (35, 17) |-- (250, 233), data: True |-- (250, 232), data: True |-- (2592, 2557), data: False |-- (2592, 102), data: (2592, 137) @ (137, 102) |-- (592, 575), data: False |-- (592, 20), data: (592, 37) @ (37, 20) |-- (92, 85), data: True |-- (250, 237), data: True |-- (250, 233), data: True |-- (500, 477), data: False |-- (500, 21), data: (500, 44) @ (44, 21) |-- (250, 229), data: True |-- (250, 227), data: True |-- (500, 471), data: False |-- (500, 25), data: (500, 54) @ (54, 25) |-- (250, 225), data: True |-- (250, 221), data: True |-- (500, 467), data: False |-- (500, 31), data: (500, 64) @ (64, 31) |-- (250, 219), data: True |-- (250, 217), data: True |-- (500, 465), data: False |-- (500, 33), data: (500, 68) @ (68, 33) |-- (250, 215), data: True |-- (250, 217), data: True |-- (2592, 2556), data: False |-- (2592, 118), data: (2592, 154) @ (154, 118) |-- (592, 556), data: False |-- (592, 53), data: (592, 89) @ (89, 53) |-- (92, 66), data: True |-- (250, 218), data: True |-- (250, 219), data: True |-- (500, 480), data: False |-- (500, 18), data: (500, 38) @ (38, 18) |-- (250, 232), data: True |-- (250, 230), data: True |-- (500, 472), data: False |-- (500, 24), data: (500, 52) @ (52, 24) |-- (250, 226), data: True |-- (250, 222), data: True |-- (500, 466), data: False |-- (500, 32), data: (500, 66) @ (66, 32) |-- (250, 218), data: True |-- (250, 216), data: True |-- (500, 464), data: False |-- (500, 34), data: (500, 70) @ (70, 34) |-- (250, 214), data: True |-- (250, 216), data: True |-- (2592, 2556), data: False |-- (2592, 118), data: (2592, 154) @ (154, 118) |-- (592, 556), data: False |-- (592, 53), data: (592, 89) @ (89, 53) |-- (92, 66), data: True |-- (250, 218), data: True |-- (250, 219), data: True |-- (500, 480), data: False |-- (500, 18), data: (500, 38) @ (38, 18) |-- (250, 232), data: True |-- (250, 230), data: True |-- (500, 472), data: False |-- (500, 24), data: (500, 52) @ (52, 24) |-- (250, 226), data: True |-- (250, 222), data: True |-- (500, 466), data: False |-- (500, 32), data: (500, 66) @ (66, 32) |-- (250, 218), data: True |-- (250, 216), data: True |-- (500, 464), data: False |-- (500, 34), data: (500, 70) @ (70, 34) |-- (250, 214), data: True |-- (250, 216), 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 05:35:46]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 05:35:47]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: force constants HDF5 data compression filter: gzip Crystal structure was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". Supercell (dim): [2 1 1] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P2_1/c (14) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 7.207066230024807 0.000000000000000 0.000000000000000 b 0.000000000000000 13.141177570000000 0.000000000000000 c -7.117052060035361 0.000000000000000 9.893998816214481 Atomic positions (fractional): 1 O 0.35239259810556 0.52297340086139 0.63510058989176 15.999 2 O 0.64760740189444 0.02297340086139 0.86489941010824 15.999 3 O 0.64760740189444 0.47702659913861 0.36489941010824 15.999 4 O 0.35239259810556 0.97702659913861 0.13510058989176 15.999 5 O 0.33950572525072 0.33899269604956 0.58285063775863 15.999 6 O 0.66049427474928 0.83899269604956 0.91714936224137 15.999 7 O 0.66049427474928 0.66100730395044 0.41714936224137 15.999 8 O 0.33950572525072 0.16100730395044 0.08285063775863 15.999 9 O 0.32148364516876 0.71241910399915 0.60525005789879 15.999 10 O 0.67851635483124 0.21241910399915 0.89474994210121 15.999 11 O 0.67851635483124 0.28758089600085 0.39474994210121 15.999 12 O 0.32148364516876 0.78758089600085 0.10525005789879 15.999 13 O 0.20048780628568 0.33432676412664 0.29055275700643 15.999 14 O 0.79951219371432 0.83432676412664 0.20944724299357 15.999 15 O 0.79951219371432 0.66567323587336 0.70944724299357 15.999 16 O 0.20048780628568 0.16567323587336 0.79055275700643 15.999 17 O 0.53029985826725 0.63350439775201 0.84559345589457 15.999 18 O 0.09505767003653 0.35355066608440 0.90055597951438 15.999 19 O 0.46970014173274 0.13350439775201 0.65440654410543 15.999 20 O 0.53029985826725 0.86649560224799 0.34559345589457 15.999 21 O 0.35959116699363 0.39255405294223 0.79255545231569 15.999 22 O 0.64040883300637 0.89255405294223 0.70744454768431 15.999 23 O 0.64040883300637 0.60744594705777 0.20744454768431 15.999 24 O 0.35959116699363 0.10744594705777 0.29255545231569 15.999 25 O 0.79051032618678 0.18914201916166 0.15093458734361 15.999 26 O 0.20948967381322 0.68914201916166 0.34906541265639 15.999 27 O 0.20948967381322 0.81085798083834 0.84906541265639 15.999 28 O 0.79051032618678 0.31085798083834 0.65093458734361 15.999 29 O 0.09783850152088 0.87343980491549 0.16960449069367 15.999 30 O 0.90216149847912 0.37343980491549 0.33039550930633 15.999 31 O 0.90216149847912 0.12656019508451 0.83039550930633 15.999 32 O 0.09783850152088 0.62656019508451 0.66960449069367 15.999 33 O 0.92941081314941 0.01264612447453 0.21218456461617 15.999 34 O 0.07058918685059 0.51264612447452 0.28781543538383 15.999 35 O 0.07058918685059 0.98735387552548 0.78781543538383 15.999 36 O 0.92941081314941 0.48735387552547 0.71218456461617 15.999 37 O 0.80496323042951 0.10815994197713 0.59070435928804 15.999 38 O 0.19503676957049 0.60815994197713 0.90929564071196 15.999 39 O 0.19503676957049 0.89184005802287 0.40929564071196 15.999 40 O 0.80496323042951 0.39184005802287 0.09070435928804 15.999 41 O 0.70255830577944 0.08106522837248 0.29061106004463 15.999 42 O 0.29744169422056 0.58106522837248 0.20938893995537 15.999 43 O 0.29744169422056 0.91893477162752 0.70938893995537 15.999 44 O 0.70255830577944 0.41893477162752 0.79061106004463 15.999 45 O 0.09505767003653 0.14644933391560 0.40055597951437 15.999 46 O 0.90494232996347 0.64644933391560 0.09944402048563 15.999 47 O 0.90494232996347 0.85355066608440 0.59944402048562 15.999 48 O 0.46970014173274 0.36649560224799 0.15440654410543 15.999 49 Na 0.06331654436295 0.22291622046942 0.56326473494840 22.990 50 Na 0.93668345563705 0.72291622046942 0.93673526505160 22.990 51 Na 0.93668345563705 0.77708377953058 0.43673526505160 22.990 52 Na 0.06331654436295 0.27708377953058 0.06326473494840 22.990 53 P 0.88823525478395 0.38510486620481 0.76485841241785 30.974 54 P 0.65544636533724 0.12931307061372 0.80301474309506 30.974 55 P 0.65544636533724 0.37068692938628 0.30301474309506 30.974 56 P 0.34455363466276 0.87068692938628 0.19698525690494 30.974 57 P 0.99091078898220 0.39786168675014 0.24009784544502 30.974 58 P 0.00908921101780 0.89786168675014 0.25990215455498 30.974 59 P 0.00908921101780 0.60213831324986 0.75990215455498 30.974 60 P 0.99091078898220 0.10213831324986 0.74009784544502 30.974 61 P 0.34455363466276 0.62931307061372 0.69698525690494 30.974 62 P 0.11176474521605 0.88510486620481 0.73514158758215 30.974 63 P 0.42915381385821 0.08966464818407 0.19963147971182 30.974 64 P 0.88823525478395 0.11489513379519 0.26485841241785 30.974 65 P 0.42915381385821 0.41033535181593 0.69963147971182 30.974 66 P 0.57084618614179 0.91033535181593 0.80036852028818 30.974 67 P 0.57084618614179 0.58966464818407 0.30036852028818 30.974 68 P 0.11176474521605 0.61489513379519 0.23514158758215 30.974 69 Bi 0.46393240533907 0.21861067364430 0.47687477649567 208.980 70 Bi 0.53606759466093 0.71861067364430 0.02312522350433 208.980 71 Bi 0.53606759466093 0.78138932635570 0.52312522350433 208.980 72 Bi 0.46393240533907 0.28138932635570 0.97687477649567 208.980 -------------------------------- supercell --------------------------------- Lattice vectors: a 14.414132460049615 0.000000000000000 0.000000000000000 b 0.000000000000000 13.141177570000000 0.000000000000000 c -7.117052060035361 0.000000000000000 9.893998816214481 Atomic positions (fractional): 1 O 0.17619629905278 0.52297340086139 0.63510058989176 15.999 > 1 2 O 0.67619629905278 0.52297340086139 0.63510058989176 15.999 > 1 3 O 0.32380370094722 0.02297340086139 0.86489941010824 15.999 > 3 4 O 0.82380370094722 0.02297340086139 0.86489941010824 15.999 > 3 5 O 0.32380370094722 0.47702659913861 0.36489941010824 15.999 > 5 6 O 0.82380370094722 0.47702659913861 0.36489941010824 15.999 > 5 7 O 0.17619629905278 0.97702659913861 0.13510058989176 15.999 > 7 8 O 0.67619629905278 0.97702659913861 0.13510058989176 15.999 > 7 9 O 0.16975286262536 0.33899269604956 0.58285063775863 15.999 > 9 10 O 0.66975286262536 0.33899269604956 0.58285063775863 15.999 > 9 11 O 0.33024713737464 0.83899269604956 0.91714936224137 15.999 > 11 12 O 0.83024713737464 0.83899269604956 0.91714936224137 15.999 > 11 13 O 0.33024713737464 0.66100730395044 0.41714936224137 15.999 > 13 14 O 0.83024713737464 0.66100730395044 0.41714936224137 15.999 > 13 15 O 0.16975286262536 0.16100730395044 0.08285063775863 15.999 > 15 16 O 0.66975286262536 0.16100730395044 0.08285063775863 15.999 > 15 17 O 0.16074182258438 0.71241910399915 0.60525005789879 15.999 > 17 18 O 0.66074182258438 0.71241910399915 0.60525005789879 15.999 > 17 19 O 0.33925817741562 0.21241910399915 0.89474994210121 15.999 > 19 20 O 0.83925817741562 0.21241910399915 0.89474994210121 15.999 > 19 21 O 0.33925817741562 0.28758089600085 0.39474994210121 15.999 > 21 22 O 0.83925817741562 0.28758089600085 0.39474994210121 15.999 > 21 23 O 0.16074182258438 0.78758089600085 0.10525005789879 15.999 > 23 24 O 0.66074182258438 0.78758089600085 0.10525005789879 15.999 > 23 25 O 0.10024390314284 0.33432676412664 0.29055275700643 15.999 > 25 26 O 0.60024390314284 0.33432676412664 0.29055275700643 15.999 > 25 27 O 0.39975609685716 0.83432676412664 0.20944724299357 15.999 > 27 28 O 0.89975609685716 0.83432676412664 0.20944724299357 15.999 > 27 29 O 0.39975609685716 0.66567323587336 0.70944724299357 15.999 > 29 30 O 0.89975609685716 0.66567323587336 0.70944724299357 15.999 > 29 31 O 0.10024390314284 0.16567323587336 0.79055275700643 15.999 > 31 32 O 0.60024390314284 0.16567323587336 0.79055275700643 15.999 > 31 33 O 0.26514992913363 0.63350439775201 0.84559345589457 15.999 > 33 34 O 0.76514992913363 0.63350439775201 0.84559345589457 15.999 > 33 35 O 0.04752883501827 0.35355066608440 0.90055597951438 15.999 > 35 36 O 0.54752883501827 0.35355066608440 0.90055597951438 15.999 > 35 37 O 0.23485007086637 0.13350439775201 0.65440654410543 15.999 > 37 38 O 0.73485007086637 0.13350439775201 0.65440654410543 15.999 > 37 39 O 0.26514992913363 0.86649560224799 0.34559345589457 15.999 > 39 40 O 0.76514992913363 0.86649560224799 0.34559345589457 15.999 > 39 41 O 0.17979558349681 0.39255405294223 0.79255545231569 15.999 > 41 42 O 0.67979558349681 0.39255405294223 0.79255545231569 15.999 > 41 43 O 0.32020441650319 0.89255405294223 0.70744454768431 15.999 > 43 44 O 0.82020441650319 0.89255405294223 0.70744454768431 15.999 > 43 45 O 0.32020441650319 0.60744594705777 0.20744454768431 15.999 > 45 46 O 0.82020441650319 0.60744594705777 0.20744454768431 15.999 > 45 47 O 0.17979558349681 0.10744594705777 0.29255545231569 15.999 > 47 48 O 0.67979558349681 0.10744594705777 0.29255545231569 15.999 > 47 49 O 0.39525516309339 0.18914201916166 0.15093458734361 15.999 > 49 50 O 0.89525516309339 0.18914201916166 0.15093458734361 15.999 > 49 51 O 0.10474483690661 0.68914201916166 0.34906541265639 15.999 > 51 52 O 0.60474483690661 0.68914201916166 0.34906541265639 15.999 > 51 53 O 0.10474483690661 0.81085798083834 0.84906541265639 15.999 > 53 54 O 0.60474483690661 0.81085798083834 0.84906541265639 15.999 > 53 55 O 0.39525516309339 0.31085798083834 0.65093458734361 15.999 > 55 56 O 0.89525516309339 0.31085798083834 0.65093458734361 15.999 > 55 57 O 0.04891925076044 0.87343980491549 0.16960449069367 15.999 > 57 58 O 0.54891925076044 0.87343980491549 0.16960449069367 15.999 > 57 59 O 0.45108074923956 0.37343980491549 0.33039550930633 15.999 > 59 60 O 0.95108074923956 0.37343980491549 0.33039550930633 15.999 > 59 61 O 0.45108074923956 0.12656019508451 0.83039550930633 15.999 > 61 62 O 0.95108074923956 0.12656019508451 0.83039550930633 15.999 > 61 63 O 0.04891925076044 0.62656019508451 0.66960449069367 15.999 > 63 64 O 0.54891925076044 0.62656019508451 0.66960449069367 15.999 > 63 65 O 0.46470540657471 0.01264612447453 0.21218456461617 15.999 > 65 66 O 0.96470540657471 0.01264612447453 0.21218456461617 15.999 > 65 67 O 0.03529459342529 0.51264612447452 0.28781543538383 15.999 > 67 68 O 0.53529459342529 0.51264612447452 0.28781543538383 15.999 > 67 69 O 0.03529459342529 0.98735387552548 0.78781543538383 15.999 > 69 70 O 0.53529459342529 0.98735387552548 0.78781543538383 15.999 > 69 71 O 0.46470540657471 0.48735387552547 0.71218456461617 15.999 > 71 72 O 0.96470540657471 0.48735387552547 0.71218456461617 15.999 > 71 73 O 0.40248161521476 0.10815994197713 0.59070435928804 15.999 > 73 74 O 0.90248161521476 0.10815994197713 0.59070435928804 15.999 > 73 75 O 0.09751838478524 0.60815994197713 0.90929564071196 15.999 > 75 76 O 0.59751838478524 0.60815994197713 0.90929564071196 15.999 > 75 77 O 0.09751838478524 0.89184005802287 0.40929564071196 15.999 > 77 78 O 0.59751838478524 0.89184005802287 0.40929564071196 15.999 > 77 79 O 0.40248161521476 0.39184005802287 0.09070435928804 15.999 > 79 80 O 0.90248161521476 0.39184005802287 0.09070435928804 15.999 > 79 81 O 0.35127915288972 0.08106522837248 0.29061106004463 15.999 > 81 82 O 0.85127915288972 0.08106522837248 0.29061106004463 15.999 > 81 83 O 0.14872084711028 0.58106522837248 0.20938893995537 15.999 > 83 84 O 0.64872084711028 0.58106522837248 0.20938893995537 15.999 > 83 85 O 0.14872084711028 0.91893477162752 0.70938893995537 15.999 > 85 86 O 0.64872084711028 0.91893477162752 0.70938893995537 15.999 > 85 87 O 0.35127915288972 0.41893477162752 0.79061106004463 15.999 > 87 88 O 0.85127915288972 0.41893477162752 0.79061106004463 15.999 > 87 89 O 0.04752883501827 0.14644933391560 0.40055597951437 15.999 > 89 90 O 0.54752883501827 0.14644933391560 0.40055597951437 15.999 > 89 91 O 0.45247116498173 0.64644933391560 0.09944402048563 15.999 > 91 92 O 0.95247116498173 0.64644933391560 0.09944402048563 15.999 > 91 93 O 0.45247116498173 0.85355066608440 0.59944402048562 15.999 > 93 94 O 0.95247116498173 0.85355066608440 0.59944402048562 15.999 > 93 95 O 0.23485007086637 0.36649560224799 0.15440654410543 15.999 > 95 96 O 0.73485007086637 0.36649560224799 0.15440654410543 15.999 > 95 97 Na 0.03165827218148 0.22291622046942 0.56326473494840 22.990 > 97 98 Na 0.53165827218148 0.22291622046942 0.56326473494840 22.990 > 97 99 Na 0.46834172781852 0.72291622046942 0.93673526505160 22.990 > 99 100 Na 0.96834172781852 0.72291622046942 0.93673526505160 22.990 > 99 101 Na 0.46834172781852 0.77708377953058 0.43673526505160 22.990 > 101 102 Na 0.96834172781852 0.77708377953058 0.43673526505160 22.990 > 101 103 Na 0.03165827218148 0.27708377953058 0.06326473494840 22.990 > 103 104 Na 0.53165827218148 0.27708377953058 0.06326473494840 22.990 > 103 105 P 0.44411762739198 0.38510486620481 0.76485841241785 30.974 > 105 106 P 0.94411762739198 0.38510486620481 0.76485841241785 30.974 > 105 107 P 0.32772318266862 0.12931307061372 0.80301474309506 30.974 > 107 108 P 0.82772318266862 0.12931307061372 0.80301474309506 30.974 > 107 109 P 0.32772318266862 0.37068692938628 0.30301474309506 30.974 > 109 110 P 0.82772318266862 0.37068692938628 0.30301474309506 30.974 > 109 111 P 0.17227681733138 0.87068692938628 0.19698525690494 30.974 > 111 112 P 0.67227681733138 0.87068692938628 0.19698525690494 30.974 > 111 113 P 0.49545539449110 0.39786168675014 0.24009784544502 30.974 > 113 114 P 0.99545539449110 0.39786168675014 0.24009784544502 30.974 > 113 115 P 0.00454460550890 0.89786168675014 0.25990215455498 30.974 > 115 116 P 0.50454460550890 0.89786168675014 0.25990215455498 30.974 > 115 117 P 0.00454460550890 0.60213831324986 0.75990215455498 30.974 > 117 118 P 0.50454460550890 0.60213831324986 0.75990215455498 30.974 > 117 119 P 0.49545539449110 0.10213831324986 0.74009784544502 30.974 > 119 120 P 0.99545539449110 0.10213831324986 0.74009784544502 30.974 > 119 121 P 0.17227681733138 0.62931307061372 0.69698525690494 30.974 > 121 122 P 0.67227681733138 0.62931307061372 0.69698525690494 30.974 > 121 123 P 0.05588237260802 0.88510486620481 0.73514158758215 30.974 > 123 124 P 0.55588237260802 0.88510486620481 0.73514158758215 30.974 > 123 125 P 0.21457690692910 0.08966464818407 0.19963147971182 30.974 > 125 126 P 0.71457690692910 0.08966464818407 0.19963147971182 30.974 > 125 127 P 0.44411762739198 0.11489513379519 0.26485841241785 30.974 > 127 128 P 0.94411762739198 0.11489513379519 0.26485841241785 30.974 > 127 129 P 0.21457690692910 0.41033535181593 0.69963147971182 30.974 > 129 130 P 0.71457690692910 0.41033535181593 0.69963147971182 30.974 > 129 131 P 0.28542309307090 0.91033535181593 0.80036852028818 30.974 > 131 132 P 0.78542309307090 0.91033535181593 0.80036852028818 30.974 > 131 133 P 0.28542309307090 0.58966464818407 0.30036852028818 30.974 > 133 134 P 0.78542309307090 0.58966464818407 0.30036852028818 30.974 > 133 135 P 0.05588237260802 0.61489513379519 0.23514158758215 30.974 > 135 136 P 0.55588237260802 0.61489513379519 0.23514158758215 30.974 > 135 137 Bi 0.23196620266953 0.21861067364430 0.47687477649567 208.980 > 137 138 Bi 0.73196620266953 0.21861067364430 0.47687477649567 208.980 > 137 139 Bi 0.26803379733047 0.71861067364430 0.02312522350433 208.980 > 139 140 Bi 0.76803379733047 0.71861067364430 0.02312522350433 208.980 > 139 141 Bi 0.26803379733047 0.78138932635570 0.52312522350433 208.980 > 141 142 Bi 0.76803379733047 0.78138932635570 0.52312522350433 208.980 > 141 143 Bi 0.23196620266953 0.28138932635570 0.97687477649567 208.980 > 143 144 Bi 0.73196620266953 0.28138932635570 0.97687477649567 208.980 > 143 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 3.0220930 0.0000000 0.0265329 0.0000000 2.9769548 0.0000000 0.0265334 0.0000000 3.0689424 -------------------------- Born effective charges -------------------------- 1 O -1.0923056 0.7526233 0.1776195 0.3775990 -3.4669009 -0.0120189 0.1694644 0.0285141 -1.1288273 2 O -1.0923056 -0.7526233 0.1776195 -0.3775990 -3.4669009 0.0120189 0.1694644 -0.0285141 -1.1288273 3 O -1.0923056 0.7526233 0.1776195 0.3775990 -3.4669009 -0.0120189 0.1694644 0.0285141 -1.1288273 4 O -1.0923056 -0.7526233 0.1776195 -0.3775990 -3.4669009 0.0120189 0.1694644 -0.0285141 -1.1288273 5 O -1.3806053 0.5071138 0.3804172 0.3215623 -1.7132162 -0.6898006 0.3932365 -0.8441194 -1.8061394 6 O -1.3806053 -0.5071138 0.3804172 -0.3215623 -1.7132162 0.6898006 0.3932365 0.8441194 -1.8061394 7 O -1.3806053 0.5071138 0.3804172 0.3215623 -1.7132162 -0.6898006 0.3932365 -0.8441194 -1.8061394 8 O -1.3806053 -0.5071138 0.3804172 -0.3215623 -1.7132162 0.6898006 0.3932365 0.8441194 -1.8061394 9 O -1.8220046 -0.7322774 0.7408542 -0.5411948 -1.6897669 0.5141232 0.5712481 0.7586206 -1.6505961 10 O -1.8220046 0.7322774 0.7408542 0.5411948 -1.6897669 -0.5141232 0.5712481 -0.7586206 -1.6505961 11 O -1.8220046 -0.7322774 0.7408542 -0.5411948 -1.6897669 0.5141232 0.5712481 0.7586206 -1.6505961 12 O -1.8220046 0.7322774 0.7408542 0.5411948 -1.6897669 -0.5141232 0.5712481 -0.7586206 -1.6505961 13 O -1.8171342 0.6847708 -0.6377371 0.6488282 -1.7340181 0.5105363 -0.7038530 0.8530729 -1.7386703 14 O -1.8171342 -0.6847708 -0.6377371 -0.6488282 -1.7340181 -0.5105363 -0.7038530 -0.8530729 -1.7386703 15 O -1.8171342 0.6847708 -0.6377371 0.6488282 -1.7340181 0.5105363 -0.7038530 0.8530729 -1.7386703 16 O -1.8171342 -0.6847708 -0.6377371 -0.6488282 -1.7340181 -0.5105363 -0.7038530 -0.8530729 -1.7386703 17 O -1.2142203 0.1228301 0.4831110 0.1713114 -1.2455428 -0.8487191 0.2356563 -0.3222367 -2.4564725 18 O -1.8945203 0.4110551 -0.9803329 0.4500945 -1.3187586 0.6047014 -0.7056712 0.3968654 -1.9864494 19 O -1.2142203 -0.1228301 0.4831110 -0.1713114 -1.2455428 0.8487191 0.2356563 0.3222367 -2.4564725 20 O -1.2142203 -0.1228301 0.4831110 -0.1713114 -1.2455428 0.8487191 0.2356563 0.3222367 -2.4564725 21 O -1.7576698 -0.3021999 0.8918377 -0.4783062 -1.4756345 0.7837253 0.9149141 0.5382046 -2.0296002 22 O -1.7576698 0.3021999 0.8918377 0.4783062 -1.4756345 -0.7837253 0.9149141 -0.5382046 -2.0296002 23 O -1.7576698 -0.3021999 0.8918377 -0.4783062 -1.4756345 0.7837253 0.9149141 0.5382046 -2.0296002 24 O -1.7576698 0.3021999 0.8918377 0.4783062 -1.4756345 -0.7837253 0.9149141 -0.5382046 -2.0296002 25 O -1.1992293 0.2938260 -0.4697702 0.1812268 -1.8420581 0.8435368 -0.3040443 0.9621734 -2.1321334 26 O -1.1992293 -0.2938260 -0.4697702 -0.1812268 -1.8420581 -0.8435368 -0.3040443 -0.9621734 -2.1321334 27 O -1.1992293 0.2938260 -0.4697702 0.1812268 -1.8420581 0.8435368 -0.3040443 0.9621734 -2.1321334 28 O -1.1992293 -0.2938260 -0.4697702 -0.1812268 -1.8420581 -0.8435368 -0.3040443 -0.9621734 -2.1321334 29 O -3.1677217 0.3052953 0.4656145 0.1830124 -1.0158929 0.0390123 0.2341094 -0.1628526 -1.1748482 30 O -3.1677217 -0.3052953 0.4656145 -0.1830124 -1.0158929 -0.0390123 0.2341094 0.1628526 -1.1748482 31 O -3.1677217 0.3052953 0.4656145 0.1830124 -1.0158929 0.0390123 0.2341094 -0.1628526 -1.1748482 32 O -3.1677217 -0.3052953 0.4656145 -0.1830124 -1.0158929 -0.0390123 0.2341094 0.1628526 -1.1748482 33 O -1.2901778 0.9783910 -0.1232770 0.7749051 -3.5939264 0.0618066 -0.0910281 -0.0035428 -0.9587739 34 O -1.2901778 -0.9783910 -0.1232770 -0.7749051 -3.5939264 -0.0618066 -0.0910281 0.0035428 -0.9587739 35 O -1.2901778 0.9783910 -0.1232770 0.7749051 -3.5939264 0.0618066 -0.0910281 -0.0035428 -0.9587739 36 O -1.2901778 -0.9783910 -0.1232770 -0.7749051 -3.5939264 -0.0618066 -0.0910281 0.0035428 -0.9587739 37 O -1.5231235 0.3450412 -0.7091877 0.3273737 -1.3493465 0.6873167 -0.6806719 0.3622343 -2.1557150 38 O -1.5231235 -0.3450412 -0.7091877 -0.3273737 -1.3493465 -0.6873167 -0.6806719 -0.3622343 -2.1557150 39 O -1.5231235 0.3450412 -0.7091877 0.3273737 -1.3493465 0.6873167 -0.6806719 0.3622343 -2.1557150 40 O -1.5231235 -0.3450412 -0.7091877 -0.3273737 -1.3493465 -0.6873167 -0.6806719 -0.3622343 -2.1557150 41 O -3.2165756 -0.2902826 -0.5665405 -0.2181767 -1.0985503 -0.0589616 -0.3137585 0.1480743 -1.0687434 42 O -3.2165756 0.2902826 -0.5665405 0.2181767 -1.0985503 0.0589616 -0.3137585 -0.1480743 -1.0687434 43 O -3.2165756 -0.2902826 -0.5665405 -0.2181767 -1.0985503 -0.0589616 -0.3137585 0.1480743 -1.0687434 44 O -3.2165756 0.2902826 -0.5665405 0.2181767 -1.0985503 0.0589616 -0.3137585 -0.1480743 -1.0687434 45 O -1.8945203 -0.4110551 -0.9803329 -0.4500945 -1.3187586 -0.6047014 -0.7056712 -0.3968654 -1.9864494 46 O -1.8945203 0.4110551 -0.9803329 0.4500945 -1.3187586 0.6047014 -0.7056712 0.3968654 -1.9864494 47 O -1.8945203 -0.4110551 -0.9803329 -0.4500945 -1.3187586 -0.6047014 -0.7056712 -0.3968654 -1.9864494 48 O -1.2142203 0.1228301 0.4831110 0.1713114 -1.2455428 -0.8487191 0.2356563 -0.3222367 -2.4564725 49 Na 1.2653457 0.0470595 -0.0340274 -0.0313572 0.9409920 -0.0505718 -0.0126506 -0.0144808 1.2237742 50 Na 1.2653457 -0.0470595 -0.0340274 0.0313572 0.9409920 0.0505718 -0.0126506 0.0144808 1.2237742 51 Na 1.2653457 0.0470595 -0.0340274 -0.0313572 0.9409920 -0.0505718 -0.0126506 -0.0144808 1.2237742 52 Na 1.2653457 -0.0470595 -0.0340274 0.0313572 0.9409920 0.0505718 -0.0126506 0.0144808 1.2237742 53 P 3.8644665 0.2700294 0.6588722 0.3326530 4.2806361 -0.4843019 0.2529717 0.3649577 3.3686329 54 P 3.6783636 -0.2446585 -0.6937233 0.0929142 4.0008098 -0.6326373 -0.0408273 0.6272503 3.4057437 55 P 3.6783636 0.2446585 -0.6937233 -0.0929142 4.0008098 0.6326373 -0.0408273 -0.6272503 3.4057437 56 P 3.6783636 -0.2446585 -0.6937233 0.0929142 4.0008098 -0.6326373 -0.0408273 0.6272503 3.4057437 57 P 3.8711204 0.2038231 0.3120593 -0.2279193 4.1525851 0.8741256 0.6875454 -0.3590760 3.1942800 58 P 3.8711204 -0.2038231 0.3120593 0.2279193 4.1525851 -0.8741256 0.6875454 0.3590760 3.1942800 59 P 3.8711204 0.2038231 0.3120593 -0.2279193 4.1525851 0.8741256 0.6875454 -0.3590760 3.1942800 60 P 3.8711204 -0.2038231 0.3120593 0.2279193 4.1525851 -0.8741256 0.6875454 0.3590760 3.1942800 61 P 3.6783636 0.2446585 -0.6937233 -0.0929142 4.0008098 0.6326373 -0.0408273 -0.6272503 3.4057437 62 P 3.8644665 -0.2700294 0.6588722 -0.3326530 4.2806361 0.4843019 0.2529717 -0.3649577 3.3686329 63 P 3.8185568 0.4982354 0.0728365 -0.2369744 4.0496082 0.3939346 -0.7053359 -0.5595490 3.1774462 64 P 3.8644665 -0.2700294 0.6588722 -0.3326530 4.2806361 0.4843019 0.2529717 -0.3649577 3.3686329 65 P 3.8185568 -0.4982354 0.0728365 0.2369744 4.0496082 -0.3939346 -0.7053359 0.5595490 3.1774462 66 P 3.8185568 0.4982354 0.0728365 -0.2369744 4.0496082 0.3939346 -0.7053359 -0.5595490 3.1774462 67 P 3.8185568 -0.4982354 0.0728365 0.2369744 4.0496082 -0.3939346 -0.7053359 0.5595490 3.1774462 68 P 3.8644665 0.2700294 0.6588722 0.3326530 4.2806361 -0.4843019 0.2529717 0.3649577 3.3686329 69 Bi 4.8774349 -0.2385778 0.0313740 0.2859747 4.1189809 0.0884918 0.0986951 0.0948333 5.9170920 70 Bi 4.8774349 0.2385778 0.0313740 -0.2859747 4.1189809 -0.0884918 0.0986951 -0.0948333 5.9170920 71 Bi 4.8774349 -0.2385778 0.0313740 0.2859747 4.1189809 0.0884918 0.0986951 0.0948333 5.9170920 72 Bi 4.8774349 0.2385778 0.0313740 -0.2859747 4.1189809 -0.0884918 0.0986951 -0.0948333 5.9170920 ---------------------------------------------------------------------------- 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] [-0.0058 0.0000 0.0081] [ 0.0058 0.0000 -0.0081] Computing fc3[ 9, 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] [-0.0058 0.0000 0.0081] [ 0.0058 0.0000 -0.0081] Computing fc3[ 17, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0058 0.0000 0.0081] [ 0.0058 0.0000 -0.0081] 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] [-0.0058 0.0000 0.0081] [ 0.0058 0.0000 -0.0081] Computing fc3[ 33, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0058 0.0000 0.0081] [ 0.0058 0.0000 -0.0081] Computing fc3[ 35, 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] [-0.0058 0.0000 0.0081] [ 0.0058 0.0000 -0.0081] 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] [-0.0058 0.0000 0.0081] [ 0.0058 0.0000 -0.0081] 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] [-0.0058 0.0000 0.0081] [ 0.0058 0.0000 -0.0081] 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] [-0.0058 0.0000 0.0081] [ 0.0058 0.0000 -0.0081] Computing fc3[ 65, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0058 0.0000 0.0081] [ 0.0058 0.0000 -0.0081] Computing fc3[ 73, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0058 0.0000 0.0081] [ 0.0058 0.0000 -0.0081] Computing fc3[ 81, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0058 0.0000 0.0081] [ 0.0058 0.0000 -0.0081] Computing fc3[ 97, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0058 0.0000 0.0081] [ 0.0058 0.0000 -0.0081] Computing fc3[ 105, 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] [-0.0058 0.0000 0.0081] [ 0.0058 0.0000 -0.0081] Computing fc3[ 107, 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] [-0.0058 0.0000 0.0081] [ 0.0058 0.0000 -0.0081] Computing fc3[ 113, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0058 0.0000 0.0081] [ 0.0058 0.0000 -0.0081] Computing fc3[ 125, 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] [-0.0058 0.0000 0.0081] [ 0.0058 0.0000 -0.0081] Computing fc3[ 137, 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] [-0.0058 0.0000 0.0081] [ 0.0058 0.0000 -0.0081] Expanding fc3. Symmetrizing fc3 by traditional approach (N=3). Symmetrizing fc2 by traditional approach (N=3). Max drift of fc3: 0.00000000 (xxx) 0.00000000 (xxx) 0.00000000 (xxx) fc3 was written into "fc3.hdf5". Max drift of fc2: 0.00000000 (xz) 0.00000000 (xz) fc2 was written into "fc2.hdf5". --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperatures: 0.0 300.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 ----------- None of ph-ph interaction calculation was performed. ----------- Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 05:37:54]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 05:37:55]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: conductivity-RTA HDF5 data compression filter: gzip Crystal structure was read from "phono3py.yaml". Supercell (dim): [2 1 1] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P2_1/c (14) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 7.207066230024807 0.000000000000000 0.000000000000000 b 0.000000000000000 13.141177570000000 0.000000000000000 c -7.117052060035361 0.000000000000000 9.893998816214481 Atomic positions (fractional): 1 O 0.35239259810556 0.52297340086139 0.63510058989176 15.999 2 O 0.64760740189444 0.02297340086139 0.86489941010824 15.999 3 O 0.64760740189444 0.47702659913861 0.36489941010824 15.999 4 O 0.35239259810556 0.97702659913861 0.13510058989176 15.999 5 O 0.33950572525072 0.33899269604956 0.58285063775863 15.999 6 O 0.66049427474928 0.83899269604956 0.91714936224137 15.999 7 O 0.66049427474928 0.66100730395044 0.41714936224137 15.999 8 O 0.33950572525072 0.16100730395044 0.08285063775863 15.999 9 O 0.32148364516876 0.71241910399915 0.60525005789879 15.999 10 O 0.67851635483124 0.21241910399915 0.89474994210121 15.999 11 O 0.67851635483124 0.28758089600085 0.39474994210121 15.999 12 O 0.32148364516876 0.78758089600085 0.10525005789879 15.999 13 O 0.20048780628568 0.33432676412664 0.29055275700643 15.999 14 O 0.79951219371432 0.83432676412664 0.20944724299357 15.999 15 O 0.79951219371432 0.66567323587336 0.70944724299357 15.999 16 O 0.20048780628568 0.16567323587336 0.79055275700643 15.999 17 O 0.53029985826725 0.63350439775201 0.84559345589457 15.999 18 O 0.09505767003653 0.35355066608440 0.90055597951438 15.999 19 O 0.46970014173274 0.13350439775201 0.65440654410543 15.999 20 O 0.53029985826725 0.86649560224799 0.34559345589457 15.999 21 O 0.35959116699363 0.39255405294223 0.79255545231569 15.999 22 O 0.64040883300637 0.89255405294223 0.70744454768431 15.999 23 O 0.64040883300637 0.60744594705777 0.20744454768431 15.999 24 O 0.35959116699363 0.10744594705777 0.29255545231569 15.999 25 O 0.79051032618678 0.18914201916166 0.15093458734361 15.999 26 O 0.20948967381322 0.68914201916166 0.34906541265639 15.999 27 O 0.20948967381322 0.81085798083834 0.84906541265639 15.999 28 O 0.79051032618678 0.31085798083834 0.65093458734361 15.999 29 O 0.09783850152088 0.87343980491549 0.16960449069367 15.999 30 O 0.90216149847912 0.37343980491549 0.33039550930633 15.999 31 O 0.90216149847912 0.12656019508451 0.83039550930633 15.999 32 O 0.09783850152088 0.62656019508451 0.66960449069367 15.999 33 O 0.92941081314941 0.01264612447453 0.21218456461617 15.999 34 O 0.07058918685059 0.51264612447452 0.28781543538383 15.999 35 O 0.07058918685059 0.98735387552548 0.78781543538383 15.999 36 O 0.92941081314941 0.48735387552547 0.71218456461617 15.999 37 O 0.80496323042951 0.10815994197713 0.59070435928804 15.999 38 O 0.19503676957049 0.60815994197713 0.90929564071196 15.999 39 O 0.19503676957049 0.89184005802287 0.40929564071196 15.999 40 O 0.80496323042951 0.39184005802287 0.09070435928804 15.999 41 O 0.70255830577944 0.08106522837248 0.29061106004463 15.999 42 O 0.29744169422056 0.58106522837248 0.20938893995537 15.999 43 O 0.29744169422056 0.91893477162752 0.70938893995537 15.999 44 O 0.70255830577944 0.41893477162752 0.79061106004463 15.999 45 O 0.09505767003653 0.14644933391560 0.40055597951437 15.999 46 O 0.90494232996347 0.64644933391560 0.09944402048563 15.999 47 O 0.90494232996347 0.85355066608440 0.59944402048562 15.999 48 O 0.46970014173274 0.36649560224799 0.15440654410543 15.999 49 Na 0.06331654436295 0.22291622046942 0.56326473494840 22.990 50 Na 0.93668345563705 0.72291622046942 0.93673526505160 22.990 51 Na 0.93668345563705 0.77708377953058 0.43673526505160 22.990 52 Na 0.06331654436295 0.27708377953058 0.06326473494840 22.990 53 P 0.88823525478395 0.38510486620481 0.76485841241785 30.974 54 P 0.65544636533724 0.12931307061372 0.80301474309506 30.974 55 P 0.65544636533724 0.37068692938628 0.30301474309506 30.974 56 P 0.34455363466276 0.87068692938628 0.19698525690494 30.974 57 P 0.99091078898220 0.39786168675014 0.24009784544502 30.974 58 P 0.00908921101780 0.89786168675014 0.25990215455498 30.974 59 P 0.00908921101780 0.60213831324986 0.75990215455498 30.974 60 P 0.99091078898220 0.10213831324986 0.74009784544502 30.974 61 P 0.34455363466276 0.62931307061372 0.69698525690494 30.974 62 P 0.11176474521605 0.88510486620481 0.73514158758215 30.974 63 P 0.42915381385821 0.08966464818407 0.19963147971182 30.974 64 P 0.88823525478395 0.11489513379519 0.26485841241785 30.974 65 P 0.42915381385821 0.41033535181593 0.69963147971182 30.974 66 P 0.57084618614179 0.91033535181593 0.80036852028818 30.974 67 P 0.57084618614179 0.58966464818407 0.30036852028818 30.974 68 P 0.11176474521605 0.61489513379519 0.23514158758215 30.974 69 Bi 0.46393240533907 0.21861067364430 0.47687477649567 208.980 70 Bi 0.53606759466093 0.71861067364430 0.02312522350433 208.980 71 Bi 0.53606759466093 0.78138932635570 0.52312522350433 208.980 72 Bi 0.46393240533907 0.28138932635570 0.97687477649567 208.980 -------------------------------- supercell --------------------------------- Lattice vectors: a 14.414132460049615 0.000000000000000 0.000000000000000 b 0.000000000000000 13.141177570000000 0.000000000000000 c -7.117052060035361 0.000000000000000 9.893998816214481 Atomic positions (fractional): 1 O 0.17619629905278 0.52297340086139 0.63510058989176 15.999 > 1 2 O 0.67619629905278 0.52297340086139 0.63510058989176 15.999 > 1 3 O 0.32380370094722 0.02297340086139 0.86489941010824 15.999 > 3 4 O 0.82380370094722 0.02297340086139 0.86489941010824 15.999 > 3 5 O 0.32380370094722 0.47702659913861 0.36489941010824 15.999 > 5 6 O 0.82380370094722 0.47702659913861 0.36489941010824 15.999 > 5 7 O 0.17619629905278 0.97702659913861 0.13510058989176 15.999 > 7 8 O 0.67619629905278 0.97702659913861 0.13510058989176 15.999 > 7 9 O 0.16975286262536 0.33899269604956 0.58285063775863 15.999 > 9 10 O 0.66975286262536 0.33899269604956 0.58285063775863 15.999 > 9 11 O 0.33024713737464 0.83899269604956 0.91714936224137 15.999 > 11 12 O 0.83024713737464 0.83899269604956 0.91714936224137 15.999 > 11 13 O 0.33024713737464 0.66100730395044 0.41714936224137 15.999 > 13 14 O 0.83024713737464 0.66100730395044 0.41714936224137 15.999 > 13 15 O 0.16975286262536 0.16100730395044 0.08285063775863 15.999 > 15 16 O 0.66975286262536 0.16100730395044 0.08285063775863 15.999 > 15 17 O 0.16074182258438 0.71241910399915 0.60525005789879 15.999 > 17 18 O 0.66074182258438 0.71241910399915 0.60525005789879 15.999 > 17 19 O 0.33925817741562 0.21241910399915 0.89474994210121 15.999 > 19 20 O 0.83925817741562 0.21241910399915 0.89474994210121 15.999 > 19 21 O 0.33925817741562 0.28758089600085 0.39474994210121 15.999 > 21 22 O 0.83925817741562 0.28758089600085 0.39474994210121 15.999 > 21 23 O 0.16074182258438 0.78758089600085 0.10525005789879 15.999 > 23 24 O 0.66074182258438 0.78758089600085 0.10525005789879 15.999 > 23 25 O 0.10024390314284 0.33432676412664 0.29055275700643 15.999 > 25 26 O 0.60024390314284 0.33432676412664 0.29055275700643 15.999 > 25 27 O 0.39975609685716 0.83432676412664 0.20944724299357 15.999 > 27 28 O 0.89975609685716 0.83432676412664 0.20944724299357 15.999 > 27 29 O 0.39975609685716 0.66567323587336 0.70944724299357 15.999 > 29 30 O 0.89975609685716 0.66567323587336 0.70944724299357 15.999 > 29 31 O 0.10024390314284 0.16567323587336 0.79055275700643 15.999 > 31 32 O 0.60024390314284 0.16567323587336 0.79055275700643 15.999 > 31 33 O 0.26514992913363 0.63350439775201 0.84559345589457 15.999 > 33 34 O 0.76514992913363 0.63350439775201 0.84559345589457 15.999 > 33 35 O 0.04752883501827 0.35355066608440 0.90055597951438 15.999 > 35 36 O 0.54752883501827 0.35355066608440 0.90055597951438 15.999 > 35 37 O 0.23485007086637 0.13350439775201 0.65440654410543 15.999 > 37 38 O 0.73485007086637 0.13350439775201 0.65440654410543 15.999 > 37 39 O 0.26514992913363 0.86649560224799 0.34559345589457 15.999 > 39 40 O 0.76514992913363 0.86649560224799 0.34559345589457 15.999 > 39 41 O 0.17979558349681 0.39255405294223 0.79255545231569 15.999 > 41 42 O 0.67979558349681 0.39255405294223 0.79255545231569 15.999 > 41 43 O 0.32020441650319 0.89255405294223 0.70744454768431 15.999 > 43 44 O 0.82020441650319 0.89255405294223 0.70744454768431 15.999 > 43 45 O 0.32020441650319 0.60744594705777 0.20744454768431 15.999 > 45 46 O 0.82020441650319 0.60744594705777 0.20744454768431 15.999 > 45 47 O 0.17979558349681 0.10744594705777 0.29255545231569 15.999 > 47 48 O 0.67979558349681 0.10744594705777 0.29255545231569 15.999 > 47 49 O 0.39525516309339 0.18914201916166 0.15093458734361 15.999 > 49 50 O 0.89525516309339 0.18914201916166 0.15093458734361 15.999 > 49 51 O 0.10474483690661 0.68914201916166 0.34906541265639 15.999 > 51 52 O 0.60474483690661 0.68914201916166 0.34906541265639 15.999 > 51 53 O 0.10474483690661 0.81085798083834 0.84906541265639 15.999 > 53 54 O 0.60474483690661 0.81085798083834 0.84906541265639 15.999 > 53 55 O 0.39525516309339 0.31085798083834 0.65093458734361 15.999 > 55 56 O 0.89525516309339 0.31085798083834 0.65093458734361 15.999 > 55 57 O 0.04891925076044 0.87343980491549 0.16960449069367 15.999 > 57 58 O 0.54891925076044 0.87343980491549 0.16960449069367 15.999 > 57 59 O 0.45108074923956 0.37343980491549 0.33039550930633 15.999 > 59 60 O 0.95108074923956 0.37343980491549 0.33039550930633 15.999 > 59 61 O 0.45108074923956 0.12656019508451 0.83039550930633 15.999 > 61 62 O 0.95108074923956 0.12656019508451 0.83039550930633 15.999 > 61 63 O 0.04891925076044 0.62656019508451 0.66960449069367 15.999 > 63 64 O 0.54891925076044 0.62656019508451 0.66960449069367 15.999 > 63 65 O 0.46470540657471 0.01264612447453 0.21218456461617 15.999 > 65 66 O 0.96470540657471 0.01264612447453 0.21218456461617 15.999 > 65 67 O 0.03529459342529 0.51264612447452 0.28781543538383 15.999 > 67 68 O 0.53529459342529 0.51264612447452 0.28781543538383 15.999 > 67 69 O 0.03529459342529 0.98735387552548 0.78781543538383 15.999 > 69 70 O 0.53529459342529 0.98735387552548 0.78781543538383 15.999 > 69 71 O 0.46470540657471 0.48735387552547 0.71218456461617 15.999 > 71 72 O 0.96470540657471 0.48735387552547 0.71218456461617 15.999 > 71 73 O 0.40248161521476 0.10815994197713 0.59070435928804 15.999 > 73 74 O 0.90248161521476 0.10815994197713 0.59070435928804 15.999 > 73 75 O 0.09751838478524 0.60815994197713 0.90929564071196 15.999 > 75 76 O 0.59751838478524 0.60815994197713 0.90929564071196 15.999 > 75 77 O 0.09751838478524 0.89184005802287 0.40929564071196 15.999 > 77 78 O 0.59751838478524 0.89184005802287 0.40929564071196 15.999 > 77 79 O 0.40248161521476 0.39184005802287 0.09070435928804 15.999 > 79 80 O 0.90248161521476 0.39184005802287 0.09070435928804 15.999 > 79 81 O 0.35127915288972 0.08106522837248 0.29061106004463 15.999 > 81 82 O 0.85127915288972 0.08106522837248 0.29061106004463 15.999 > 81 83 O 0.14872084711028 0.58106522837248 0.20938893995537 15.999 > 83 84 O 0.64872084711028 0.58106522837248 0.20938893995537 15.999 > 83 85 O 0.14872084711028 0.91893477162752 0.70938893995537 15.999 > 85 86 O 0.64872084711028 0.91893477162752 0.70938893995537 15.999 > 85 87 O 0.35127915288972 0.41893477162752 0.79061106004463 15.999 > 87 88 O 0.85127915288972 0.41893477162752 0.79061106004463 15.999 > 87 89 O 0.04752883501827 0.14644933391560 0.40055597951437 15.999 > 89 90 O 0.54752883501827 0.14644933391560 0.40055597951437 15.999 > 89 91 O 0.45247116498173 0.64644933391560 0.09944402048563 15.999 > 91 92 O 0.95247116498173 0.64644933391560 0.09944402048563 15.999 > 91 93 O 0.45247116498173 0.85355066608440 0.59944402048562 15.999 > 93 94 O 0.95247116498173 0.85355066608440 0.59944402048562 15.999 > 93 95 O 0.23485007086637 0.36649560224799 0.15440654410543 15.999 > 95 96 O 0.73485007086637 0.36649560224799 0.15440654410543 15.999 > 95 97 Na 0.03165827218148 0.22291622046942 0.56326473494840 22.990 > 97 98 Na 0.53165827218148 0.22291622046942 0.56326473494840 22.990 > 97 99 Na 0.46834172781852 0.72291622046942 0.93673526505160 22.990 > 99 100 Na 0.96834172781852 0.72291622046942 0.93673526505160 22.990 > 99 101 Na 0.46834172781852 0.77708377953058 0.43673526505160 22.990 > 101 102 Na 0.96834172781852 0.77708377953058 0.43673526505160 22.990 > 101 103 Na 0.03165827218148 0.27708377953058 0.06326473494840 22.990 > 103 104 Na 0.53165827218148 0.27708377953058 0.06326473494840 22.990 > 103 105 P 0.44411762739198 0.38510486620481 0.76485841241785 30.974 > 105 106 P 0.94411762739198 0.38510486620481 0.76485841241785 30.974 > 105 107 P 0.32772318266862 0.12931307061372 0.80301474309506 30.974 > 107 108 P 0.82772318266862 0.12931307061372 0.80301474309506 30.974 > 107 109 P 0.32772318266862 0.37068692938628 0.30301474309506 30.974 > 109 110 P 0.82772318266862 0.37068692938628 0.30301474309506 30.974 > 109 111 P 0.17227681733138 0.87068692938628 0.19698525690494 30.974 > 111 112 P 0.67227681733138 0.87068692938628 0.19698525690494 30.974 > 111 113 P 0.49545539449110 0.39786168675014 0.24009784544502 30.974 > 113 114 P 0.99545539449110 0.39786168675014 0.24009784544502 30.974 > 113 115 P 0.00454460550890 0.89786168675014 0.25990215455498 30.974 > 115 116 P 0.50454460550890 0.89786168675014 0.25990215455498 30.974 > 115 117 P 0.00454460550890 0.60213831324986 0.75990215455498 30.974 > 117 118 P 0.50454460550890 0.60213831324986 0.75990215455498 30.974 > 117 119 P 0.49545539449110 0.10213831324986 0.74009784544502 30.974 > 119 120 P 0.99545539449110 0.10213831324986 0.74009784544502 30.974 > 119 121 P 0.17227681733138 0.62931307061372 0.69698525690494 30.974 > 121 122 P 0.67227681733138 0.62931307061372 0.69698525690494 30.974 > 121 123 P 0.05588237260802 0.88510486620481 0.73514158758215 30.974 > 123 124 P 0.55588237260802 0.88510486620481 0.73514158758215 30.974 > 123 125 P 0.21457690692910 0.08966464818407 0.19963147971182 30.974 > 125 126 P 0.71457690692910 0.08966464818407 0.19963147971182 30.974 > 125 127 P 0.44411762739198 0.11489513379519 0.26485841241785 30.974 > 127 128 P 0.94411762739198 0.11489513379519 0.26485841241785 30.974 > 127 129 P 0.21457690692910 0.41033535181593 0.69963147971182 30.974 > 129 130 P 0.71457690692910 0.41033535181593 0.69963147971182 30.974 > 129 131 P 0.28542309307090 0.91033535181593 0.80036852028818 30.974 > 131 132 P 0.78542309307090 0.91033535181593 0.80036852028818 30.974 > 131 133 P 0.28542309307090 0.58966464818407 0.30036852028818 30.974 > 133 134 P 0.78542309307090 0.58966464818407 0.30036852028818 30.974 > 133 135 P 0.05588237260802 0.61489513379519 0.23514158758215 30.974 > 135 136 P 0.55588237260802 0.61489513379519 0.23514158758215 30.974 > 135 137 Bi 0.23196620266953 0.21861067364430 0.47687477649567 208.980 > 137 138 Bi 0.73196620266953 0.21861067364430 0.47687477649567 208.980 > 137 139 Bi 0.26803379733047 0.71861067364430 0.02312522350433 208.980 > 139 140 Bi 0.76803379733047 0.71861067364430 0.02312522350433 208.980 > 139 141 Bi 0.26803379733047 0.78138932635570 0.52312522350433 208.980 > 141 142 Bi 0.76803379733047 0.78138932635570 0.52312522350433 208.980 > 141 143 Bi 0.23196620266953 0.28138932635570 0.97687477649567 208.980 > 143 144 Bi 0.73196620266953 0.28138932635570 0.97687477649567 208.980 > 143 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 3.0220930 0.0000000 0.0265329 0.0000000 2.9769548 0.0000000 0.0265334 0.0000000 3.0689424 -------------------------- Born effective charges -------------------------- 1 O -1.0923056 0.7526233 0.1776195 0.3775990 -3.4669009 -0.0120189 0.1694644 0.0285141 -1.1288273 2 O -1.0923056 -0.7526233 0.1776195 -0.3775990 -3.4669009 0.0120189 0.1694644 -0.0285141 -1.1288273 3 O -1.0923056 0.7526233 0.1776195 0.3775990 -3.4669009 -0.0120189 0.1694644 0.0285141 -1.1288273 4 O -1.0923056 -0.7526233 0.1776195 -0.3775990 -3.4669009 0.0120189 0.1694644 -0.0285141 -1.1288273 5 O -1.3806053 0.5071138 0.3804172 0.3215623 -1.7132162 -0.6898006 0.3932365 -0.8441194 -1.8061394 6 O -1.3806053 -0.5071138 0.3804172 -0.3215623 -1.7132162 0.6898006 0.3932365 0.8441194 -1.8061394 7 O -1.3806053 0.5071138 0.3804172 0.3215623 -1.7132162 -0.6898006 0.3932365 -0.8441194 -1.8061394 8 O -1.3806053 -0.5071138 0.3804172 -0.3215623 -1.7132162 0.6898006 0.3932365 0.8441194 -1.8061394 9 O -1.8220046 -0.7322774 0.7408542 -0.5411948 -1.6897669 0.5141232 0.5712481 0.7586206 -1.6505961 10 O -1.8220046 0.7322774 0.7408542 0.5411948 -1.6897669 -0.5141232 0.5712481 -0.7586206 -1.6505961 11 O -1.8220046 -0.7322774 0.7408542 -0.5411948 -1.6897669 0.5141232 0.5712481 0.7586206 -1.6505961 12 O -1.8220046 0.7322774 0.7408542 0.5411948 -1.6897669 -0.5141232 0.5712481 -0.7586206 -1.6505961 13 O -1.8171342 0.6847708 -0.6377371 0.6488282 -1.7340181 0.5105363 -0.7038530 0.8530729 -1.7386703 14 O -1.8171342 -0.6847708 -0.6377371 -0.6488282 -1.7340181 -0.5105363 -0.7038530 -0.8530729 -1.7386703 15 O -1.8171342 0.6847708 -0.6377371 0.6488282 -1.7340181 0.5105363 -0.7038530 0.8530729 -1.7386703 16 O -1.8171342 -0.6847708 -0.6377371 -0.6488282 -1.7340181 -0.5105363 -0.7038530 -0.8530729 -1.7386703 17 O -1.2142203 0.1228301 0.4831110 0.1713114 -1.2455428 -0.8487191 0.2356563 -0.3222367 -2.4564725 18 O -1.8945203 0.4110551 -0.9803329 0.4500945 -1.3187586 0.6047014 -0.7056712 0.3968654 -1.9864494 19 O -1.2142203 -0.1228301 0.4831110 -0.1713114 -1.2455428 0.8487191 0.2356563 0.3222367 -2.4564725 20 O -1.2142203 -0.1228301 0.4831110 -0.1713114 -1.2455428 0.8487191 0.2356563 0.3222367 -2.4564725 21 O -1.7576698 -0.3021999 0.8918377 -0.4783062 -1.4756345 0.7837253 0.9149141 0.5382046 -2.0296002 22 O -1.7576698 0.3021999 0.8918377 0.4783062 -1.4756345 -0.7837253 0.9149141 -0.5382046 -2.0296002 23 O -1.7576698 -0.3021999 0.8918377 -0.4783062 -1.4756345 0.7837253 0.9149141 0.5382046 -2.0296002 24 O -1.7576698 0.3021999 0.8918377 0.4783062 -1.4756345 -0.7837253 0.9149141 -0.5382046 -2.0296002 25 O -1.1992293 0.2938260 -0.4697702 0.1812268 -1.8420581 0.8435368 -0.3040443 0.9621734 -2.1321334 26 O -1.1992293 -0.2938260 -0.4697702 -0.1812268 -1.8420581 -0.8435368 -0.3040443 -0.9621734 -2.1321334 27 O -1.1992293 0.2938260 -0.4697702 0.1812268 -1.8420581 0.8435368 -0.3040443 0.9621734 -2.1321334 28 O -1.1992293 -0.2938260 -0.4697702 -0.1812268 -1.8420581 -0.8435368 -0.3040443 -0.9621734 -2.1321334 29 O -3.1677217 0.3052953 0.4656145 0.1830124 -1.0158929 0.0390123 0.2341094 -0.1628526 -1.1748482 30 O -3.1677217 -0.3052953 0.4656145 -0.1830124 -1.0158929 -0.0390123 0.2341094 0.1628526 -1.1748482 31 O -3.1677217 0.3052953 0.4656145 0.1830124 -1.0158929 0.0390123 0.2341094 -0.1628526 -1.1748482 32 O -3.1677217 -0.3052953 0.4656145 -0.1830124 -1.0158929 -0.0390123 0.2341094 0.1628526 -1.1748482 33 O -1.2901778 0.9783910 -0.1232770 0.7749051 -3.5939264 0.0618066 -0.0910281 -0.0035428 -0.9587739 34 O -1.2901778 -0.9783910 -0.1232770 -0.7749051 -3.5939264 -0.0618066 -0.0910281 0.0035428 -0.9587739 35 O -1.2901778 0.9783910 -0.1232770 0.7749051 -3.5939264 0.0618066 -0.0910281 -0.0035428 -0.9587739 36 O -1.2901778 -0.9783910 -0.1232770 -0.7749051 -3.5939264 -0.0618066 -0.0910281 0.0035428 -0.9587739 37 O -1.5231235 0.3450412 -0.7091877 0.3273737 -1.3493465 0.6873167 -0.6806719 0.3622343 -2.1557150 38 O -1.5231235 -0.3450412 -0.7091877 -0.3273737 -1.3493465 -0.6873167 -0.6806719 -0.3622343 -2.1557150 39 O -1.5231235 0.3450412 -0.7091877 0.3273737 -1.3493465 0.6873167 -0.6806719 0.3622343 -2.1557150 40 O -1.5231235 -0.3450412 -0.7091877 -0.3273737 -1.3493465 -0.6873167 -0.6806719 -0.3622343 -2.1557150 41 O -3.2165756 -0.2902826 -0.5665405 -0.2181767 -1.0985503 -0.0589616 -0.3137585 0.1480743 -1.0687434 42 O -3.2165756 0.2902826 -0.5665405 0.2181767 -1.0985503 0.0589616 -0.3137585 -0.1480743 -1.0687434 43 O -3.2165756 -0.2902826 -0.5665405 -0.2181767 -1.0985503 -0.0589616 -0.3137585 0.1480743 -1.0687434 44 O -3.2165756 0.2902826 -0.5665405 0.2181767 -1.0985503 0.0589616 -0.3137585 -0.1480743 -1.0687434 45 O -1.8945203 -0.4110551 -0.9803329 -0.4500945 -1.3187586 -0.6047014 -0.7056712 -0.3968654 -1.9864494 46 O -1.8945203 0.4110551 -0.9803329 0.4500945 -1.3187586 0.6047014 -0.7056712 0.3968654 -1.9864494 47 O -1.8945203 -0.4110551 -0.9803329 -0.4500945 -1.3187586 -0.6047014 -0.7056712 -0.3968654 -1.9864494 48 O -1.2142203 0.1228301 0.4831110 0.1713114 -1.2455428 -0.8487191 0.2356563 -0.3222367 -2.4564725 49 Na 1.2653457 0.0470595 -0.0340274 -0.0313572 0.9409920 -0.0505718 -0.0126506 -0.0144808 1.2237742 50 Na 1.2653457 -0.0470595 -0.0340274 0.0313572 0.9409920 0.0505718 -0.0126506 0.0144808 1.2237742 51 Na 1.2653457 0.0470595 -0.0340274 -0.0313572 0.9409920 -0.0505718 -0.0126506 -0.0144808 1.2237742 52 Na 1.2653457 -0.0470595 -0.0340274 0.0313572 0.9409920 0.0505718 -0.0126506 0.0144808 1.2237742 53 P 3.8644665 0.2700294 0.6588722 0.3326530 4.2806361 -0.4843019 0.2529717 0.3649577 3.3686329 54 P 3.6783636 -0.2446585 -0.6937233 0.0929142 4.0008098 -0.6326373 -0.0408273 0.6272503 3.4057437 55 P 3.6783636 0.2446585 -0.6937233 -0.0929142 4.0008098 0.6326373 -0.0408273 -0.6272503 3.4057437 56 P 3.6783636 -0.2446585 -0.6937233 0.0929142 4.0008098 -0.6326373 -0.0408273 0.6272503 3.4057437 57 P 3.8711204 0.2038231 0.3120593 -0.2279193 4.1525851 0.8741256 0.6875454 -0.3590760 3.1942800 58 P 3.8711204 -0.2038231 0.3120593 0.2279193 4.1525851 -0.8741256 0.6875454 0.3590760 3.1942800 59 P 3.8711204 0.2038231 0.3120593 -0.2279193 4.1525851 0.8741256 0.6875454 -0.3590760 3.1942800 60 P 3.8711204 -0.2038231 0.3120593 0.2279193 4.1525851 -0.8741256 0.6875454 0.3590760 3.1942800 61 P 3.6783636 0.2446585 -0.6937233 -0.0929142 4.0008098 0.6326373 -0.0408273 -0.6272503 3.4057437 62 P 3.8644665 -0.2700294 0.6588722 -0.3326530 4.2806361 0.4843019 0.2529717 -0.3649577 3.3686329 63 P 3.8185568 0.4982354 0.0728365 -0.2369744 4.0496082 0.3939346 -0.7053359 -0.5595490 3.1774462 64 P 3.8644665 -0.2700294 0.6588722 -0.3326530 4.2806361 0.4843019 0.2529717 -0.3649577 3.3686329 65 P 3.8185568 -0.4982354 0.0728365 0.2369744 4.0496082 -0.3939346 -0.7053359 0.5595490 3.1774462 66 P 3.8185568 0.4982354 0.0728365 -0.2369744 4.0496082 0.3939346 -0.7053359 -0.5595490 3.1774462 67 P 3.8185568 -0.4982354 0.0728365 0.2369744 4.0496082 -0.3939346 -0.7053359 0.5595490 3.1774462 68 P 3.8644665 0.2700294 0.6588722 0.3326530 4.2806361 -0.4843019 0.2529717 0.3649577 3.3686329 69 Bi 4.8774349 -0.2385778 0.0313740 0.2859747 4.1189809 0.0884918 0.0986951 0.0948333 5.9170920 70 Bi 4.8774349 0.2385778 0.0313740 -0.2859747 4.1189809 -0.0884918 0.0986951 -0.0948333 5.9170920 71 Bi 4.8774349 -0.2385778 0.0313740 0.2859747 4.1189809 0.0884918 0.0986951 0.0948333 5.9170920 72 Bi 4.8774349 0.2385778 0.0313740 -0.2859747 4.1189809 -0.0884918 0.0986951 -0.0948333 5.9170920 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: 0.00000000 (xxx) 0.00000000 (xxx) 0.00000000 (xxx) 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 4 5 ] 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: 0.42, Number of G-points: 297, Lambda: 0.08 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/69) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 69 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 1.213 ( 0.000 0.000 0.000) 0.000 1.525 ( 0.000 0.000 0.000) 0.000 1.561 ( 0.000 0.000 0.000) 0.000 1.770 ( 0.000 0.000 0.000) 0.000 1.825 ( 0.000 0.000 0.000) 0.000 1.932 ( 0.000 0.000 0.000) 0.000 2.160 ( 0.000 0.000 0.000) 0.000 2.168 ( 0.000 0.000 0.000) 0.000 2.356 ( 0.000 0.000 0.000) 0.000 2.404 ( 0.000 0.000 0.000) 0.000 2.490 ( 0.000 0.000 0.000) 0.000 2.673 ( 0.000 0.000 0.000) 0.000 2.681 ( 0.000 0.000 0.000) 0.000 2.683 ( 0.000 0.000 0.000) 0.000 2.738 ( 0.000 0.000 0.000) 0.000 2.827 ( 0.000 0.000 0.000) 0.000 2.906 ( 0.000 0.000 0.000) 0.000 2.907 ( 0.000 0.000 0.000) 0.000 2.957 ( 0.000 0.000 0.000) 0.000 2.965 ( 0.000 0.000 0.000) 0.000 3.049 ( 0.000 0.000 0.000) 0.000 3.123 ( 0.000 0.000 0.000) 0.000 3.165 ( 0.000 0.000 0.000) 0.000 3.291 ( 0.000 0.000 0.000) 0.000 3.337 ( 0.000 0.000 0.000) 0.000 3.425 ( 0.000 0.000 0.000) 0.000 3.443 ( 0.000 0.000 0.000) 0.000 3.507 ( 0.000 0.000 0.000) 0.000 3.542 ( 0.000 0.000 0.000) 0.000 3.552 ( 0.000 0.000 0.000) 0.000 3.597 ( 0.000 0.000 0.000) 0.000 3.755 ( 0.000 0.000 0.000) 0.000 3.883 ( 0.000 0.000 0.000) 0.000 3.972 ( 0.000 0.000 0.000) 0.000 4.067 ( 0.000 0.000 0.000) 0.000 4.103 ( 0.000 0.000 0.000) 0.000 4.148 ( 0.000 0.000 0.000) 0.000 4.420 ( 0.000 0.000 0.000) 0.000 4.483 ( 0.000 0.000 0.000) 0.000 4.487 ( 0.000 0.000 0.000) 0.000 4.493 ( 0.000 0.000 0.000) 0.000 4.635 ( 0.000 0.000 0.000) 0.000 4.673 ( 0.000 0.000 0.000) 0.000 4.763 ( 0.000 0.000 0.000) 0.000 4.894 ( 0.000 0.000 0.000) 0.000 4.944 ( 0.000 0.000 0.000) 0.000 4.955 ( 0.000 0.000 0.000) 0.000 5.069 ( 0.000 0.000 0.000) 0.000 5.182 ( 0.000 0.000 0.000) 0.000 5.182 ( 0.000 0.000 0.000) 0.000 5.198 ( 0.000 0.000 0.000) 0.000 5.299 ( 0.000 0.000 0.000) 0.000 5.335 ( 0.000 0.000 0.000) 0.000 5.458 ( 0.000 0.000 0.000) 0.000 5.481 ( 0.000 0.000 0.000) 0.000 5.531 ( 0.000 0.000 0.000) 0.000 5.586 ( 0.000 0.000 0.000) 0.000 5.708 ( 0.000 0.000 0.000) 0.000 5.781 ( 0.000 0.000 0.000) 0.000 5.903 ( 0.000 0.000 0.000) 0.000 5.989 ( 0.000 0.000 0.000) 0.000 6.033 ( 0.000 0.000 0.000) 0.000 6.186 ( 0.000 0.000 0.000) 0.000 6.193 ( 0.000 0.000 0.000) 0.000 6.295 ( 0.000 0.000 0.000) 0.000 6.557 ( 0.000 0.000 0.000) 0.000 6.559 ( 0.000 0.000 0.000) 0.000 6.573 ( 0.000 0.000 0.000) 0.000 6.619 ( 0.000 0.000 0.000) 0.000 6.762 ( 0.000 0.000 0.000) 0.000 6.819 ( 0.000 0.000 0.000) 0.000 6.860 ( 0.000 0.000 0.000) 0.000 7.091 ( 0.000 0.000 0.000) 0.000 8.358 ( 0.000 0.000 0.000) 0.000 8.456 ( 0.000 0.000 0.000) 0.000 8.485 ( 0.000 0.000 0.000) 0.000 8.535 ( 0.000 0.000 0.000) 0.000 8.671 ( 0.000 0.000 0.000) 0.000 8.707 ( 0.000 0.000 0.000) 0.000 8.743 ( 0.000 0.000 0.000) 0.000 8.846 ( 0.000 0.000 0.000) 0.000 8.986 ( 0.000 0.000 0.000) 0.000 9.017 ( 0.000 0.000 0.000) 0.000 9.109 ( 0.000 0.000 0.000) 0.000 9.140 ( 0.000 0.000 0.000) 0.000 9.157 ( 0.000 0.000 0.000) 0.000 9.206 ( 0.000 0.000 0.000) 0.000 9.399 ( 0.000 0.000 0.000) 0.000 9.455 ( 0.000 0.000 0.000) 0.000 9.545 ( 0.000 0.000 0.000) 0.000 9.879 ( 0.000 0.000 0.000) 0.000 10.101 ( 0.000 0.000 0.000) 0.000 10.115 ( 0.000 0.000 0.000) 0.000 10.202 ( 0.000 0.000 0.000) 0.000 10.281 ( 0.000 0.000 0.000) 0.000 10.302 ( 0.000 0.000 0.000) 0.000 10.488 ( 0.000 0.000 0.000) 0.000 10.687 ( 0.000 0.000 0.000) 0.000 10.737 ( 0.000 0.000 0.000) 0.000 10.809 ( 0.000 0.000 0.000) 0.000 10.966 ( 0.000 0.000 0.000) 0.000 11.034 ( 0.000 0.000 0.000) 0.000 11.068 ( 0.000 0.000 0.000) 0.000 11.301 ( 0.000 0.000 0.000) 0.000 11.410 ( 0.000 0.000 0.000) 0.000 11.747 ( 0.000 0.000 0.000) 0.000 11.831 ( 0.000 0.000 0.000) 0.000 11.903 ( 0.000 0.000 0.000) 0.000 11.942 ( 0.000 0.000 0.000) 0.000 12.005 ( 0.000 0.000 0.000) 0.000 12.021 ( 0.000 0.000 0.000) 0.000 12.089 ( 0.000 0.000 0.000) 0.000 12.211 ( 0.000 0.000 0.000) 0.000 12.408 ( 0.000 0.000 0.000) 0.000 12.434 ( 0.000 0.000 0.000) 0.000 12.731 ( 0.000 0.000 0.000) 0.000 12.807 ( 0.000 0.000 0.000) 0.000 13.042 ( 0.000 0.000 0.000) 0.000 13.173 ( 0.000 0.000 0.000) 0.000 13.187 ( 0.000 0.000 0.000) 0.000 13.262 ( 0.000 0.000 0.000) 0.000 13.898 ( 0.000 0.000 0.000) 0.000 13.940 ( 0.000 0.000 0.000) 0.000 14.116 ( 0.000 0.000 0.000) 0.000 14.117 ( 0.000 0.000 0.000) 0.000 14.120 ( 0.000 0.000 0.000) 0.000 14.289 ( 0.000 0.000 0.000) 0.000 14.394 ( 0.000 0.000 0.000) 0.000 14.429 ( 0.000 0.000 0.000) 0.000 14.580 ( 0.000 0.000 0.000) 0.000 14.649 ( 0.000 0.000 0.000) 0.000 14.800 ( 0.000 0.000 0.000) 0.000 14.806 ( 0.000 0.000 0.000) 0.000 14.892 ( 0.000 0.000 0.000) 0.000 14.893 ( 0.000 0.000 0.000) 0.000 15.412 ( 0.000 0.000 0.000) 0.000 15.587 ( 0.000 0.000 0.000) 0.000 15.603 ( 0.000 0.000 0.000) 0.000 15.613 ( 0.000 0.000 0.000) 0.000 15.652 ( 0.000 0.000 0.000) 0.000 16.031 ( 0.000 0.000 0.000) 0.000 16.210 ( 0.000 0.000 0.000) 0.000 16.215 ( 0.000 0.000 0.000) 0.000 16.263 ( 0.000 0.000 0.000) 0.000 16.304 ( 0.000 0.000 0.000) 0.000 17.028 ( 0.000 0.000 0.000) 0.000 17.052 ( 0.000 0.000 0.000) 0.000 17.075 ( 0.000 0.000 0.000) 0.000 17.141 ( 0.000 0.000 0.000) 0.000 19.423 ( 0.000 0.000 0.000) 0.000 19.572 ( 0.000 0.000 0.000) 0.000 19.695 ( 0.000 0.000 0.000) 0.000 19.742 ( 0.000 0.000 0.000) 0.000 20.459 ( 0.000 0.000 0.000) 0.000 20.510 ( 0.000 0.000 0.000) 0.000 20.695 ( 0.000 0.000 0.000) 0.000 20.733 ( 0.000 0.000 0.000) 0.000 21.496 ( 0.000 0.000 0.000) 0.000 21.587 ( 0.000 0.000 0.000) 0.000 21.664 ( 0.000 0.000 0.000) 0.000 21.715 ( 0.000 0.000 0.000) 0.000 22.885 ( 0.000 0.000 0.000) 0.000 23.028 ( 0.000 0.000 0.000) 0.000 23.107 ( 0.000 0.000 0.000) 0.000 23.168 ( 0.000 0.000 0.000) 0.000 26.567 ( 0.000 0.000 0.000) 0.000 26.570 ( 0.000 0.000 0.000) 0.000 26.580 ( 0.000 0.000 0.000) 0.000 26.624 ( 0.000 0.000 0.000) 0.000 29.288 ( 0.000 0.000 0.000) 0.000 29.316 ( 0.000 0.000 0.000) 0.000 29.387 ( 0.000 0.000 0.000) 0.000 29.468 ( 0.000 0.000 0.000) 0.000 29.469 ( 0.000 0.000 0.000) 0.000 29.553 ( 0.000 0.000 0.000) 0.000 29.740 ( 0.000 0.000 0.000) 0.000 30.232 ( 0.000 0.000 0.000) 0.000 30.281 ( 0.000 0.000 0.000) 0.000 30.323 ( 0.000 0.000 0.000) 0.000 30.418 ( 0.000 0.000 0.000) 0.000 30.882 ( 0.000 0.000 0.000) 0.000 31.256 ( 0.000 0.000 0.000) 0.000 31.395 ( 0.000 0.000 0.000) 0.000 31.419 ( 0.000 0.000 0.000) 0.000 31.843 ( 0.000 0.000 0.000) 0.000 31.923 ( 0.000 0.000 0.000) 0.000 31.945 ( 0.000 0.000 0.000) 0.000 32.009 ( 0.000 0.000 0.000) 0.000 32.109 ( 0.000 0.000 0.000) 0.000 32.129 ( 0.000 0.000 0.000) 0.000 32.199 ( 0.000 0.000 0.000) 0.000 32.224 ( 0.000 0.000 0.000) 0.000 33.053 ( 0.000 0.000 0.000) 0.000 33.091 ( 0.000 0.000 0.000) 0.000 33.660 ( 0.000 0.000 0.000) 0.000 33.772 ( 0.000 0.000 0.000) 0.000 33.904 ( 0.000 0.000 0.000) 0.000 34.010 ( 0.000 0.000 0.000) 0.000 34.356 ( 0.000 0.000 0.000) 0.000 34.386 ( 0.000 0.000 0.000) 0.000 34.435 ( 0.000 0.000 0.000) 0.000 34.879 ( 0.000 0.000 0.000) 0.000 34.942 ( 0.000 0.000 0.000) 0.000 35.087 ( 0.000 0.000 0.000) 0.000 35.101 ( 0.000 0.000 0.000) 0.000 35.165 ( 0.000 0.000 0.000) 0.000 35.231 ( 0.000 0.000 0.000) 0.000 35.249 ( 0.000 0.000 0.000) 0.000 35.355 ( 0.000 0.000 0.000) 0.000 35.420 ( 0.000 0.000 0.000) 0.000 35.424 ( 0.000 0.000 0.000) 0.000 37.664 ( 0.000 0.000 0.000) 0.000 38.337 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/69) ======================= q-point: ( 0.11 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 69 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.515 ( 25.998 0.000 8.577) 27.376 0.528 ( 26.272 0.000 11.522) 28.687 0.883 ( 38.228 0.000 24.309) 45.302 1.369 ( 4.659 0.000 13.280) 14.074 1.543 ( 8.001 0.000 -4.523) 9.191 1.608 ( 4.828 0.000 3.685) 6.074 1.769 ( 4.482 0.000 -4.651) 6.459 1.853 ( -0.940 0.000 4.957) 5.045 1.985 ( -0.687 0.000 5.829) 5.870 2.124 ( -1.465 0.000 -3.672) 3.953 2.269 ( 9.169 0.000 3.114) 9.684 2.412 ( -0.370 0.000 5.757) 5.769 2.438 ( 1.530 0.000 2.573) 2.993 2.482 ( -2.479 0.000 -3.912) 4.631 2.639 ( 1.871 0.000 -4.570) 4.938 2.666 ( 2.475 0.000 -6.797) 7.233 2.732 ( 0.550 0.000 1.939) 2.015 2.821 ( -1.197 0.000 -2.320) 2.611 2.859 ( 0.822 0.000 -7.041) 7.089 2.907 ( 1.139 0.000 -2.863) 3.081 2.921 ( 5.635 0.000 0.753) 5.685 2.936 ( 2.126 0.000 7.938) 8.218 3.012 ( -0.130 0.000 0.393) 0.414 3.096 ( -3.271 0.000 0.543) 3.316 3.170 ( -3.123 0.000 1.157) 3.331 3.228 ( 10.200 0.000 -3.905) 10.922 3.272 ( 1.360 0.000 -2.575) 2.912 3.358 ( -6.826 0.000 10.773) 12.753 3.363 ( -4.513 0.000 -7.985) 9.172 3.461 ( 5.992 0.000 1.735) 6.238 3.511 ( 0.766 0.000 0.340) 0.838 3.619 ( 11.117 0.000 -1.971) 11.290 3.674 ( 3.667 0.000 2.294) 4.325 3.743 ( 0.886 0.000 1.066) 1.386 3.950 ( 0.596 0.000 7.128) 7.152 4.024 ( 1.834 0.000 -5.590) 5.883 4.046 ( 0.026 0.000 3.510) 3.510 4.073 ( -1.955 0.000 -0.155) 1.961 4.111 ( -0.971 0.000 3.587) 3.717 4.203 ( 2.738 0.000 4.442) 5.218 4.391 ( -1.916 0.000 -2.549) 3.189 4.452 ( -1.156 0.000 -3.214) 3.415 4.540 ( 0.542 0.000 4.826) 4.856 4.574 ( -2.006 0.000 -6.712) 7.005 4.618 ( -2.541 0.000 -3.689) 4.479 4.670 ( 10.792 0.000 0.643) 10.812 4.803 ( -0.817 0.000 -10.750) 10.781 4.941 ( -3.466 0.000 0.783) 3.553 4.961 ( 1.131 0.000 0.744) 1.354 4.995 ( -4.509 0.000 -3.153) 5.502 5.017 ( -7.085 0.000 1.721) 7.291 5.122 ( 0.950 0.000 -4.563) 4.660 5.215 ( 0.073 0.000 -0.484) 0.489 5.278 ( -5.165 0.000 0.880) 5.240 5.366 ( -13.979 0.000 5.468) 15.010 5.411 ( 4.090 0.000 6.860) 7.987 5.475 ( 3.616 0.000 -4.791) 6.003 5.542 ( 2.102 0.000 -0.148) 2.107 5.611 ( -12.486 0.000 15.933) 20.242 5.617 ( 2.354 0.000 1.831) 2.982 5.751 ( 6.221 0.000 2.551) 6.724 5.839 ( 4.039 0.000 3.381) 5.267 5.910 ( -0.371 0.000 1.214) 1.269 5.913 ( -0.534 0.000 -7.777) 7.795 6.085 ( 0.636 0.000 4.529) 4.573 6.185 ( -8.660 0.000 3.713) 9.422 6.186 ( -4.434 0.000 2.195) 4.947 6.249 ( 0.412 0.000 -6.010) 6.024 6.525 ( -2.904 0.000 -0.571) 2.959 6.593 ( -1.575 0.000 3.737) 4.056 6.632 ( 0.511 0.000 1.129) 1.240 6.640 ( 5.201 0.000 -0.479) 5.223 6.786 ( -9.515 0.000 9.781) 13.645 6.796 ( 2.788 0.000 1.498) 3.165 6.926 ( 0.087 0.000 4.455) 4.456 7.085 ( -0.477 0.000 -0.653) 0.808 8.197 ( -14.886 0.000 -0.497) 14.894 8.302 ( -17.285 0.000 -0.264) 17.287 8.383 ( -13.506 0.000 -2.785) 13.790 8.584 ( -14.835 0.000 2.220) 15.000 8.597 ( 4.565 0.000 3.421) 5.704 8.697 ( 0.436 0.000 -0.250) 0.502 8.772 ( -1.063 0.000 -4.554) 4.676 8.848 ( 7.726 0.000 -0.523) 7.744 9.045 ( 1.568 0.000 1.312) 2.044 9.052 ( 7.749 0.000 -1.852) 7.967 9.121 ( -0.432 0.000 1.473) 1.535 9.124 ( -0.067 0.000 1.120) 1.122 9.237 ( 6.542 0.000 -2.438) 6.981 9.264 ( 7.636 0.000 -1.186) 7.728 9.406 ( 0.860 0.000 0.362) 0.933 9.458 ( -0.276 0.000 0.717) 0.768 9.570 ( 2.081 0.000 1.520) 2.577 9.875 ( -2.284 0.000 2.448) 3.348 10.050 ( -7.197 0.000 1.386) 7.329 10.059 ( -6.135 0.000 -1.385) 6.289 10.187 ( -6.829 0.000 0.829) 6.879 10.209 ( -5.636 0.000 -3.535) 6.653 10.296 ( -1.434 0.000 -0.473) 1.510 10.378 ( -10.669 0.000 -1.888) 10.835 10.645 ( -4.480 0.000 -1.064) 4.604 10.677 ( -6.021 0.000 -1.658) 6.245 10.785 ( -2.990 0.000 2.402) 3.835 10.909 ( -5.390 0.000 -1.388) 5.565 11.156 ( 12.152 0.000 -0.110) 12.152 11.233 ( 8.960 0.000 -1.498) 9.084 11.328 ( 3.024 0.000 0.484) 3.062 11.417 ( 1.100 0.000 -0.230) 1.124 11.747 ( 0.312 0.000 -0.778) 0.838 11.831 ( 0.643 0.000 -1.475) 1.610 11.890 ( -2.593 0.000 2.198) 3.399 11.921 ( -4.517 0.000 -0.119) 4.519 11.975 ( 4.783 0.000 -2.270) 5.294 12.025 ( -5.532 0.000 -0.458) 5.551 12.132 ( 5.172 0.000 3.719) 6.370 12.203 ( -1.339 0.000 -0.485) 1.424 12.452 ( 5.302 0.000 -0.658) 5.343 12.456 ( 3.077 0.000 -1.229) 3.313 12.757 ( 2.157 0.000 1.414) 2.579 12.803 ( -0.031 0.000 -0.478) 0.479 13.053 ( 1.445 0.000 0.035) 1.446 13.154 ( -1.583 0.000 -0.154) 1.590 13.354 ( 11.825 0.000 -0.747) 11.848 13.668 ( 14.734 0.000 -15.493) 21.380 13.850 ( -9.511 0.000 -0.395) 9.519 13.860 ( -6.780 0.000 0.607) 6.807 14.069 ( -2.987 0.000 1.178) 3.211 14.111 ( 0.582 0.000 0.248) 0.633 14.116 ( -2.841 0.000 1.003) 3.013 14.231 ( -6.884 0.000 -0.505) 6.902 14.503 ( 10.079 0.000 0.781) 10.109 14.562 ( -2.038 0.000 1.097) 2.315 14.679 ( 3.402 0.000 0.334) 3.419 14.733 ( 11.176 0.000 -0.877) 11.210 14.905 ( 11.864 0.000 0.022) 11.864 14.962 ( 8.355 0.000 -0.237) 8.358 14.998 ( 13.558 0.000 -2.475) 13.783 15.269 ( 5.371 0.000 -9.046) 10.521 15.398 ( -2.867 0.000 1.980) 3.484 15.516 ( -5.850 0.000 -0.818) 5.907 15.581 ( -2.459 0.000 -0.137) 2.463 15.652 ( -1.792 0.000 2.295) 2.912 15.738 ( 12.562 0.000 -12.187) 17.502 16.037 ( -2.996 0.000 -4.360) 5.290 16.238 ( 1.862 0.000 1.108) 2.167 16.239 ( 3.204 0.000 0.075) 3.205 16.293 ( 4.371 0.000 -0.964) 4.476 16.542 ( 15.658 0.000 -26.929) 31.150 17.042 ( 0.582 0.000 -0.903) 1.074 17.048 ( -0.217 0.000 -0.078) 0.231 17.088 ( 1.190 0.000 0.354) 1.242 17.158 ( 1.732 0.000 0.254) 1.751 19.445 ( 2.091 0.000 0.778) 2.231 19.607 ( 5.077 0.000 -1.070) 5.189 19.694 ( -0.273 0.000 0.436) 0.515 19.753 ( 2.510 0.000 -1.492) 2.920 20.398 ( -6.737 0.000 -0.726) 6.776 20.477 ( -4.680 0.000 0.827) 4.753 20.710 ( -2.223 0.000 -1.051) 2.459 20.715 ( -2.780 0.000 0.596) 2.843 21.570 ( 7.649 0.000 1.842) 7.867 21.648 ( -1.183 0.000 6.004) 6.120 21.736 ( 7.696 0.000 -0.683) 7.726 21.751 ( 5.035 0.000 -0.643) 5.076 22.847 ( -3.769 0.000 -1.680) 4.126 22.987 ( -3.283 0.000 -3.041) 4.475 23.037 ( -9.894 0.000 2.800) 10.282 23.138 ( -4.301 0.000 0.366) 4.316 26.627 ( 7.643 0.000 0.020) 7.643 26.629 ( 9.447 0.000 -0.756) 9.477 26.700 ( 12.516 0.000 1.114) 12.566 27.551 ( 39.047 0.000 -54.262) 66.851 28.989 ( -22.715 0.000 0.012) 22.715 29.079 ( -21.079 0.000 0.149) 21.079 29.301 ( -20.125 0.000 1.346) 20.170 29.363 ( -9.686 0.000 0.796) 9.719 29.660 ( 19.337 0.000 0.135) 19.338 29.747 ( 18.403 0.000 -0.267) 18.405 30.032 ( 20.599 0.000 4.084) 21.000 30.277 ( 4.774 0.000 -0.188) 4.778 30.305 ( 3.599 0.000 1.062) 3.752 30.395 ( -0.105 0.000 -2.652) 2.654 30.458 ( 5.499 0.000 -5.455) 7.746 31.195 ( 20.596 0.000 -35.128) 40.721 31.220 ( -4.713 0.000 1.491) 4.943 31.363 ( -3.038 0.000 -2.627) 4.016 31.427 ( -2.459 0.000 1.997) 3.168 31.795 ( -3.018 0.000 1.236) 3.261 31.835 ( -8.238 0.000 -1.823) 8.437 31.900 ( -6.305 0.000 -4.504) 7.748 32.018 ( 3.252 0.000 0.860) 3.363 32.118 ( 7.855 0.000 -0.818) 7.897 32.293 ( 12.195 0.000 -3.288) 12.630 32.317 ( 11.293 0.000 0.236) 11.295 32.356 ( 11.226 0.000 -0.068) 11.227 33.035 ( -4.815 0.000 -5.682) 7.448 33.057 ( -1.405 0.000 2.538) 2.901 33.582 ( -4.234 0.000 -6.365) 7.644 33.621 ( -10.340 0.000 -28.694) 30.500 33.729 ( -5.277 0.000 -3.298) 6.222 34.341 ( 6.615 0.000 5.542) 8.630 34.346 ( -2.229 0.000 -3.742) 4.356 34.440 ( -1.573 0.000 1.565) 2.219 34.515 ( 3.821 0.000 -4.697) 6.055 34.879 ( 4.093 0.000 -11.096) 11.827 34.961 ( 2.433 0.000 -0.396) 2.465 35.080 ( -0.037 0.000 -0.300) 0.302 35.201 ( 2.275 0.000 1.563) 2.760 35.234 ( 0.135 0.000 0.911) 0.921 35.278 ( -3.125 0.000 12.773) 13.150 35.367 ( 0.503 0.000 1.103) 1.212 35.409 ( -3.016 0.000 5.552) 6.319 35.625 ( 12.245 0.000 21.509) 24.750 36.993 ( -52.288 0.000 76.294) 92.492 37.573 ( -7.409 0.000 -5.625) 9.302 38.247 ( -11.018 0.000 -0.659) 11.038 ======================= Grid point 2 (3/69) ======================= q-point: ( 0.22 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 69 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.966 ( 19.377 0.000 8.621) 21.209 1.044 ( 21.949 0.000 12.765) 25.391 1.499 ( 4.919 0.000 3.667) 6.135 1.670 ( 27.357 0.000 18.915) 33.260 1.705 ( 13.997 0.000 1.162) 14.045 1.786 ( 6.335 0.000 -2.875) 6.957 1.871 ( 10.843 0.000 11.700) 15.952 1.899 ( 1.842 0.000 2.770) 3.327 2.026 ( 1.696 0.000 6.372) 6.594 2.141 ( 2.074 0.000 5.777) 6.138 2.286 ( -9.886 0.000 -9.404) 13.644 2.426 ( 7.683 0.000 -5.956) 9.721 2.504 ( 6.790 0.000 -2.807) 7.348 2.542 ( 5.625 0.000 7.473) 9.353 2.580 ( -3.355 0.000 0.244) 3.363 2.639 ( 5.514 0.000 -5.881) 8.062 2.783 ( 2.078 0.000 0.954) 2.286 2.787 ( -2.181 0.000 -0.964) 2.384 2.865 ( 5.260 0.000 4.919) 7.201 2.909 ( 5.399 0.000 -2.161) 5.816 2.911 ( -16.488 0.000 -3.712) 16.901 3.007 ( -3.905 0.000 -3.430) 5.197 3.069 ( 4.273 0.000 -0.409) 4.292 3.097 ( 3.332 0.000 9.207) 9.791 3.197 ( -1.518 0.000 -8.274) 8.412 3.218 ( 0.847 0.000 -8.351) 8.394 3.224 ( 9.783 0.000 5.659) 11.302 3.271 ( 3.016 0.000 -3.638) 4.726 3.466 ( 2.599 0.000 8.293) 8.691 3.524 ( 2.130 0.000 -3.657) 4.233 3.609 ( 6.004 0.000 3.888) 7.153 3.615 ( -4.919 0.000 0.211) 4.924 3.742 ( 8.300 0.000 -3.917) 9.177 3.893 ( 9.813 0.000 4.657) 10.863 3.965 ( -2.307 0.000 -0.057) 2.308 4.019 ( 1.153 0.000 2.660) 2.899 4.089 ( 3.226 0.000 0.613) 3.284 4.182 ( 3.548 0.000 9.212) 9.872 4.199 ( 5.424 0.000 6.765) 8.670 4.277 ( -0.014 0.000 3.831) 3.831 4.345 ( -3.425 0.000 -11.253) 11.763 4.385 ( 0.884 0.000 3.380) 3.494 4.407 ( -6.294 0.000 -6.778) 9.249 4.466 ( -5.373 0.000 -7.620) 9.324 4.590 ( -1.298 0.000 3.776) 3.992 4.692 ( -4.173 0.000 -3.276) 5.305 4.819 ( 3.403 0.000 -1.877) 3.886 4.827 ( -4.351 0.000 -6.561) 7.873 4.895 ( -2.779 0.000 -5.611) 6.262 4.916 ( -5.521 0.000 1.099) 5.629 4.976 ( 1.833 0.000 -1.101) 2.139 5.084 ( -1.106 0.000 -3.102) 3.293 5.158 ( -14.181 0.000 1.402) 14.250 5.230 ( 2.648 0.000 -0.761) 2.755 5.262 ( -1.186 0.000 0.029) 1.186 5.468 ( -1.124 0.000 -0.481) 1.223 5.471 ( -1.002 0.000 0.165) 1.016 5.560 ( -0.793 0.000 -3.777) 3.860 5.600 ( 2.727 0.000 0.241) 2.737 5.658 ( 2.274 0.000 -4.180) 4.759 5.881 ( 4.212 0.000 1.325) 4.415 5.912 ( 0.712 0.000 3.387) 3.461 5.919 ( 6.067 0.000 2.203) 6.455 5.990 ( 9.569 0.000 6.439) 11.534 6.056 ( -6.406 0.000 -4.794) 8.002 6.122 ( -4.133 0.000 3.042) 5.132 6.150 ( 1.605 0.000 1.312) 2.073 6.235 ( 2.245 0.000 -1.200) 2.546 6.477 ( -2.677 0.000 0.828) 2.802 6.611 ( -0.129 0.000 0.252) 0.283 6.661 ( 1.150 0.000 -2.318) 2.588 6.662 ( 1.452 0.000 1.432) 2.039 6.796 ( -2.556 0.000 7.759) 8.169 6.855 ( 3.018 0.000 -0.158) 3.023 6.941 ( -2.720 0.000 2.063) 3.414 7.062 ( 0.100 0.000 -2.507) 2.509 7.930 ( -18.466 0.000 -0.582) 18.475 7.981 ( -21.968 0.000 -1.029) 21.992 8.132 ( -15.501 0.000 -2.092) 15.642 8.339 ( -19.085 0.000 3.055) 19.328 8.683 ( 1.472 0.000 3.470) 3.769 8.707 ( 2.896 0.000 -3.131) 4.265 8.732 ( -1.327 0.000 0.610) 1.460 8.929 ( 3.944 0.000 -0.644) 3.997 9.084 ( 1.753 0.000 0.225) 1.767 9.130 ( 2.215 0.000 0.069) 2.216 9.138 ( -0.100 0.000 3.608) 3.610 9.169 ( 7.074 0.000 -1.901) 7.324 9.316 ( 2.193 0.000 -2.621) 3.418 9.331 ( 8.937 0.000 -3.692) 9.670 9.451 ( -1.824 0.000 0.418) 1.872 9.454 ( 4.307 0.000 1.721) 4.639 9.636 ( 3.312 0.000 2.360) 4.067 9.844 ( -6.467 0.000 1.120) 6.563 9.916 ( -10.133 0.000 0.915) 10.175 9.933 ( -9.883 0.000 2.776) 10.266 10.057 ( -10.886 0.000 0.767) 10.913 10.077 ( -4.660 0.000 -3.790) 6.007 10.194 ( -8.652 0.000 -1.311) 8.751 10.234 ( -4.925 0.000 -1.848) 5.261 10.552 ( -6.924 0.000 -1.545) 7.094 10.557 ( -4.946 0.000 -0.829) 5.014 10.760 ( -4.203 0.000 2.129) 4.711 10.801 ( -5.924 0.000 -1.038) 6.014 11.344 ( 11.491 0.000 -0.173) 11.492 11.384 ( 10.273 0.000 0.539) 10.287 11.402 ( 5.814 0.000 0.641) 5.849 11.441 ( 2.256 0.000 -0.025) 2.256 11.734 ( -1.513 0.000 0.559) 1.613 11.809 ( -0.319 0.000 -2.571) 2.591 11.865 ( -3.737 0.000 0.782) 3.818 11.897 ( 0.324 0.000 1.080) 1.127 11.935 ( -4.441 0.000 -0.370) 4.456 12.031 ( 3.568 0.000 -0.701) 3.636 12.181 ( 1.399 0.000 -1.339) 1.936 12.237 ( 2.901 0.000 2.491) 3.824 12.495 ( 3.654 0.000 -0.383) 3.674 12.535 ( 5.698 0.000 -0.346) 5.709 12.796 ( -0.223 0.000 -0.553) 0.597 12.812 ( 2.439 0.000 0.883) 2.594 13.084 ( 2.576 0.000 -0.048) 2.576 13.140 ( 0.357 0.000 0.070) 0.364 13.579 ( 15.068 0.000 0.314) 15.071 13.701 ( -7.101 0.000 -0.026) 7.101 13.704 ( -6.631 0.000 -1.026) 6.710 13.767 ( 7.303 0.000 -4.483) 8.569 14.051 ( -1.757 0.000 1.475) 2.294 14.099 ( -4.099 0.000 -0.195) 4.103 14.120 ( 2.394 0.000 0.537) 2.453 14.137 ( -2.363 0.000 -0.616) 2.442 14.541 ( -2.559 0.000 1.541) 2.987 14.609 ( 1.561 0.000 -0.540) 1.652 14.769 ( 8.078 0.000 0.085) 8.079 14.897 ( 9.917 0.000 -0.788) 9.948 15.094 ( 8.296 0.000 -0.455) 8.309 15.102 ( 11.816 0.000 -0.131) 11.816 15.195 ( 11.656 0.000 -1.135) 11.711 15.259 ( 0.877 0.000 -0.429) 0.977 15.373 ( -1.191 0.000 0.515) 1.297 15.437 ( -3.484 0.000 -0.185) 3.489 15.598 ( 4.573 0.000 1.812) 4.919 15.664 ( 0.319 0.000 3.121) 3.137 15.754 ( 3.722 0.000 -7.549) 8.416 15.928 ( -1.681 0.000 -6.787) 6.992 16.255 ( -0.251 0.000 0.328) 0.413 16.312 ( 3.055 0.000 2.163) 3.743 16.356 ( 4.524 0.000 -1.553) 4.783 16.472 ( 1.919 0.000 -9.257) 9.453 17.046 ( 0.541 0.000 0.227) 0.587 17.048 ( 0.398 0.000 0.011) 0.398 17.114 ( 1.662 0.000 0.040) 1.663 17.190 ( 1.909 0.000 0.132) 1.913 19.512 ( 5.914 0.000 0.458) 5.931 19.684 ( 5.983 0.000 -3.830) 7.104 19.717 ( 3.893 0.000 2.184) 4.464 19.789 ( 4.976 0.000 -2.318) 5.490 20.260 ( -9.867 0.000 -0.157) 9.868 20.391 ( -7.768 0.000 1.085) 7.843 20.628 ( -5.802 0.000 -2.371) 6.268 20.660 ( -5.091 0.000 0.507) 5.116 21.740 ( 6.448 0.000 2.623) 6.961 21.741 ( 10.944 0.000 1.497) 11.046 21.858 ( 9.757 0.000 -0.514) 9.770 21.874 ( 11.079 0.000 -0.542) 11.092 22.739 ( -7.395 0.000 -1.726) 7.594 22.861 ( -8.501 0.000 -1.869) 8.704 22.904 ( -11.232 0.000 2.850) 11.587 23.040 ( -8.790 0.000 0.217) 8.792 26.797 ( 13.787 0.000 0.481) 13.795 26.829 ( 16.619 0.000 -0.852) 16.641 26.968 ( 19.528 0.000 2.204) 19.652 27.560 ( 20.297 0.000 -26.296) 33.218 28.640 ( -22.262 0.000 0.188) 22.263 28.744 ( -21.424 0.000 -0.717) 21.436 29.013 ( -20.032 0.000 1.949) 20.127 29.160 ( -17.330 0.000 0.579) 17.340 29.941 ( 16.156 0.000 0.773) 16.174 30.013 ( 16.256 0.000 -0.307) 16.259 30.331 ( 3.954 0.000 1.230) 4.141 30.363 ( 12.745 0.000 3.891) 13.326 30.370 ( 0.666 0.000 -2.103) 2.206 30.460 ( 15.555 0.000 -0.269) 15.557 30.491 ( 6.539 0.000 -4.947) 8.199 31.100 ( 3.464 0.000 -15.170) 15.561 31.157 ( -7.032 0.000 3.440) 7.829 31.231 ( -9.281 0.000 -3.145) 9.799 31.365 ( -7.141 0.000 1.154) 7.234 31.657 ( -10.577 0.000 -4.483) 11.488 31.787 ( 0.026 0.000 0.751) 0.752 31.813 ( -0.088 0.000 -1.965) 1.967 32.102 ( 6.563 0.000 2.008) 6.863 32.302 ( 13.569 0.000 1.205) 13.622 32.437 ( 9.226 0.000 -2.709) 9.616 32.477 ( 5.645 0.000 -6.598) 8.683 32.519 ( 13.898 0.000 0.836) 13.924 32.844 ( 0.246 0.000 -13.878) 13.880 33.066 ( -2.268 0.000 4.270) 4.835 33.258 ( -5.188 0.000 -11.367) 12.495 33.432 ( -5.297 0.000 -6.126) 8.099 33.589 ( -7.213 0.000 -5.003) 8.778 34.240 ( -4.019 0.000 -6.497) 7.639 34.390 ( -5.182 0.000 -1.946) 5.535 34.493 ( 4.385 0.000 6.581) 7.908 34.557 ( 3.725 0.000 0.939) 3.842 34.839 ( 1.602 0.000 -4.741) 5.004 34.997 ( 2.629 0.000 -0.623) 2.702 35.087 ( 0.700 0.000 0.586) 0.913 35.234 ( 1.259 0.000 0.360) 1.309 35.274 ( 1.683 0.000 2.547) 3.052 35.318 ( -2.564 0.000 4.885) 5.517 35.390 ( 0.469 0.000 1.663) 1.728 35.427 ( -0.633 0.000 2.571) 2.648 36.090 ( 10.752 0.000 25.265) 27.458 37.044 ( -22.090 0.000 35.978) 42.218 37.334 ( -12.020 0.000 -9.036) 15.038 38.001 ( -18.327 0.000 -1.475) 18.386 ======================= Grid point 3 (4/69) ======================= q-point: ( 0.33 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 69 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.290 ( 12.399 0.000 5.387) 13.518 1.449 ( 15.136 0.000 7.939) 17.092 1.704 ( 9.728 0.000 4.892) 10.889 1.766 ( 4.839 0.000 -1.159) 4.976 1.870 ( 2.231 0.000 -1.233) 2.549 1.978 ( 1.539 0.000 2.260) 2.734 2.015 ( 2.564 0.000 9.229) 9.579 2.047 ( -4.344 0.000 -9.165) 10.143 2.156 ( 8.967 0.000 9.305) 12.922 2.238 ( 0.422 0.000 6.854) 6.867 2.329 ( -3.100 0.000 -8.650) 9.189 2.416 ( 24.611 0.000 10.989) 26.953 2.507 ( -12.659 0.000 -7.927) 14.936 2.603 ( 8.384 0.000 -1.201) 8.470 2.625 ( 1.809 0.000 -3.721) 4.137 2.699 ( 5.798 0.000 4.514) 7.347 2.733 ( 6.412 0.000 5.807) 8.651 2.772 ( -1.842 0.000 3.166) 3.663 2.790 ( -3.358 0.000 -2.270) 4.054 2.924 ( 0.260 0.000 -4.425) 4.433 2.951 ( 0.782 0.000 0.260) 0.824 3.010 ( 7.545 0.000 -8.655) 11.482 3.086 ( -1.120 0.000 -0.301) 1.160 3.117 ( -0.017 0.000 -3.944) 3.944 3.166 ( 2.957 0.000 -0.676) 3.033 3.191 ( 3.507 0.000 6.765) 7.620 3.363 ( 1.486 0.000 3.168) 3.499 3.400 ( 8.531 0.000 4.624) 9.704 3.456 ( -2.112 0.000 -9.643) 9.872 3.527 ( -1.533 0.000 1.344) 2.038 3.683 ( 0.921 0.000 0.665) 1.136 3.694 ( 4.882 0.000 3.583) 6.055 3.805 ( 4.967 0.000 -3.126) 5.868 3.869 ( -1.118 0.000 -3.339) 3.521 4.044 ( -3.621 0.000 0.390) 3.642 4.058 ( 1.875 0.000 -0.509) 1.943 4.156 ( 5.024 0.000 3.822) 6.313 4.184 ( 0.349 0.000 -7.134) 7.143 4.275 ( -1.750 0.000 -0.389) 1.793 4.289 ( -2.532 0.000 0.782) 2.650 4.338 ( 3.073 0.000 2.016) 3.675 4.384 ( 8.104 0.000 3.105) 8.679 4.409 ( 4.932 0.000 5.177) 7.150 4.442 ( -0.227 0.000 2.187) 2.199 4.586 ( -2.152 0.000 2.885) 3.599 4.591 ( -4.070 0.000 -2.907) 5.001 4.706 ( -6.058 0.000 -2.012) 6.383 4.720 ( -2.187 0.000 -2.644) 3.431 4.833 ( -6.105 0.000 0.403) 6.118 4.844 ( 1.488 0.000 -10.021) 10.131 4.979 ( -6.751 0.000 3.212) 7.476 5.014 ( 0.005 0.000 -1.541) 1.541 5.020 ( -3.313 0.000 -1.382) 3.589 5.215 ( -1.946 0.000 -3.775) 4.247 5.248 ( 0.380 0.000 -1.993) 2.028 5.394 ( -6.839 0.000 -0.642) 6.869 5.434 ( -1.458 0.000 -1.538) 2.120 5.567 ( -2.204 0.000 -4.172) 4.719 5.568 ( 4.861 0.000 -1.928) 5.230 5.615 ( -0.757 0.000 -5.059) 5.115 5.929 ( -4.276 0.000 0.428) 4.297 5.967 ( 2.758 0.000 3.538) 4.486 6.027 ( 4.394 0.000 1.558) 4.662 6.045 ( 9.634 0.000 2.745) 10.017 6.117 ( -0.410 0.000 2.338) 2.374 6.152 ( 0.107 0.000 -2.138) 2.141 6.232 ( 9.326 0.000 6.803) 11.544 6.304 ( 6.984 0.000 -0.604) 7.010 6.485 ( 1.287 0.000 3.120) 3.375 6.569 ( -3.335 0.000 -1.716) 3.750 6.651 ( -0.674 0.000 -1.807) 1.929 6.675 ( -3.048 0.000 0.550) 3.097 6.873 ( 3.426 0.000 5.361) 6.362 6.886 ( 3.356 0.000 -2.032) 3.924 6.925 ( -0.069 0.000 1.713) 1.714 7.053 ( 4.151 0.000 -3.837) 5.652 7.635 ( -20.553 0.000 -0.933) 20.574 7.641 ( -16.959 0.000 -0.702) 16.974 7.843 ( -17.471 0.000 -4.412) 18.019 8.082 ( -17.842 0.000 2.443) 18.009 8.703 ( 1.966 0.000 -2.974) 3.565 8.727 ( 0.323 0.000 2.447) 2.468 8.755 ( 0.425 0.000 3.037) 3.067 8.963 ( 1.599 0.000 -0.659) 1.730 9.105 ( 0.432 0.000 0.731) 0.849 9.164 ( 3.282 0.000 -0.864) 3.394 9.185 ( 0.970 0.000 2.448) 2.634 9.230 ( 1.323 0.000 -1.460) 1.970 9.308 ( 0.644 0.000 -0.984) 1.176 9.418 ( -1.826 0.000 0.080) 1.827 9.443 ( 9.112 0.000 -0.343) 9.119 9.545 ( 4.095 0.000 0.759) 4.164 9.679 ( -11.491 0.000 -1.256) 11.559 9.686 ( -0.427 0.000 -0.020) 0.427 9.811 ( -5.420 0.000 0.784) 5.476 9.847 ( -7.440 0.000 4.802) 8.855 9.904 ( -6.795 0.000 1.781) 7.024 9.994 ( -2.223 0.000 -3.118) 3.829 10.112 ( -6.868 0.000 -3.230) 7.589 10.127 ( -1.813 0.000 3.396) 3.850 10.449 ( -4.342 0.000 -0.811) 4.417 10.487 ( -2.946 0.000 -0.544) 2.996 10.697 ( -5.137 0.000 0.083) 5.138 10.721 ( -3.359 0.000 -0.282) 3.371 11.473 ( 1.725 0.000 -0.097) 1.728 11.474 ( 5.097 0.000 0.719) 5.148 11.520 ( 7.752 0.000 -0.130) 7.753 11.533 ( 7.290 0.000 0.726) 7.327 11.735 ( -0.596 0.000 2.364) 2.438 11.772 ( -0.488 0.000 -2.539) 2.585 11.790 ( -4.754 0.000 -0.616) 4.794 11.867 ( -4.210 0.000 -0.536) 4.244 11.931 ( 1.945 0.000 1.287) 2.332 12.079 ( 3.124 0.000 0.191) 3.130 12.229 ( 4.844 0.000 -0.231) 4.850 12.265 ( -0.283 0.000 -0.112) 0.304 12.568 ( 4.830 0.000 1.133) 4.961 12.607 ( 3.583 0.000 0.146) 3.586 12.785 ( -0.611 0.000 -0.256) 0.662 12.824 ( -1.658 0.000 -0.229) 1.674 13.137 ( 4.596 0.000 -0.177) 4.600 13.173 ( 3.441 0.000 0.363) 3.460 13.554 ( -7.132 0.000 0.235) 7.135 13.563 ( -8.883 0.000 0.040) 8.883 13.872 ( 14.983 0.000 1.475) 15.056 13.873 ( 7.944 0.000 -1.178) 8.031 14.042 ( -1.216 0.000 -0.571) 1.343 14.057 ( 0.833 0.000 0.481) 0.962 14.101 ( -1.741 0.000 -0.642) 1.855 14.186 ( 5.474 0.000 0.351) 5.486 14.514 ( -3.670 0.000 2.088) 4.222 14.544 ( -7.407 0.000 -1.351) 7.529 14.903 ( 7.640 0.000 0.538) 7.659 14.989 ( 3.672 0.000 -1.124) 3.840 15.182 ( 1.193 0.000 1.130) 1.643 15.220 ( 0.213 0.000 0.260) 0.336 15.271 ( 3.976 0.000 -0.799) 4.056 15.274 ( 1.536 0.000 1.198) 1.948 15.419 ( 1.703 0.000 -0.727) 1.852 15.419 ( 3.354 0.000 0.141) 3.357 15.709 ( 5.480 0.000 2.938) 6.218 15.721 ( 1.875 0.000 -3.070) 3.597 15.771 ( 9.580 0.000 0.804) 9.614 15.864 ( 3.153 0.000 -7.121) 7.788 16.247 ( -1.105 0.000 0.844) 1.391 16.349 ( -2.122 0.000 -2.740) 3.465 16.357 ( -0.725 0.000 2.135) 2.255 16.432 ( 0.994 0.000 -2.136) 2.356 17.062 ( 1.127 0.000 0.172) 1.140 17.069 ( 1.606 0.000 0.966) 1.875 17.134 ( 1.045 0.000 -0.356) 1.104 17.213 ( 1.059 0.000 -0.369) 1.122 19.638 ( 9.180 0.000 1.038) 9.239 19.726 ( 5.974 0.000 -3.254) 6.803 19.844 ( 8.465 0.000 1.156) 8.543 19.853 ( 6.366 0.000 -2.198) 6.735 20.106 ( -10.486 0.000 1.183) 10.553 20.262 ( -10.191 0.000 0.880) 10.229 20.495 ( -7.228 0.000 -2.491) 7.645 20.572 ( -6.223 0.000 -0.306) 6.231 21.883 ( 8.964 0.000 0.846) 9.003 21.916 ( 10.599 0.000 -0.229) 10.601 22.032 ( 12.397 0.000 -0.013) 12.397 22.061 ( 12.967 0.000 0.186) 12.968 22.591 ( -8.935 0.000 -1.746) 9.104 22.711 ( -10.534 0.000 1.655) 10.663 22.753 ( -10.376 0.000 0.519) 10.389 22.878 ( -11.775 0.000 -0.193) 11.777 27.045 ( 16.369 0.000 1.132) 16.408 27.086 ( 17.246 0.000 -1.434) 17.305 27.342 ( 23.229 0.000 5.009) 23.763 27.598 ( 13.949 0.000 -14.554) 20.159 28.321 ( -19.265 0.000 0.814) 19.282 28.416 ( -19.217 0.000 -1.206) 19.255 28.713 ( -20.177 0.000 -0.635) 20.187 28.871 ( -18.964 0.000 -0.016) 18.964 30.168 ( 11.621 0.000 1.240) 11.687 30.234 ( 12.255 0.000 0.058) 12.255 30.374 ( 1.655 0.000 -0.515) 1.733 30.393 ( 3.048 0.000 0.886) 3.174 30.552 ( 8.364 0.000 -5.015) 9.753 30.561 ( 10.023 0.000 0.908) 10.064 30.709 ( 14.209 0.000 -0.160) 14.210 30.972 ( -3.581 0.000 -7.224) 8.063 31.041 ( -9.958 0.000 -2.820) 10.350 31.080 ( -7.546 0.000 3.398) 8.276 31.254 ( -8.336 0.000 1.085) 8.406 31.433 ( -9.557 0.000 -5.920) 11.242 31.814 ( 2.273 0.000 0.752) 2.394 31.830 ( 2.524 0.000 0.506) 2.574 32.237 ( 7.563 0.000 1.235) 7.663 32.285 ( -2.788 0.000 -16.381) 16.617 32.520 ( 10.422 0.000 2.783) 10.787 32.599 ( 7.762 0.000 2.146) 8.053 32.759 ( 14.960 0.000 1.693) 15.056 32.861 ( 10.175 0.000 -4.779) 11.242 33.086 ( -1.437 0.000 4.690) 4.906 33.141 ( -3.068 0.000 -1.197) 3.293 33.296 ( -5.794 0.000 -2.872) 6.467 33.410 ( -8.201 0.000 -4.999) 9.605 34.093 ( -4.577 0.000 -7.053) 8.408 34.243 ( -7.537 0.000 -5.592) 9.384 34.611 ( 3.514 0.000 2.903) 4.558 34.636 ( 2.033 0.000 5.087) 5.478 34.817 ( 0.836 0.000 -2.634) 2.764 35.021 ( 1.585 0.000 -1.017) 1.883 35.111 ( 0.897 0.000 1.300) 1.579 35.260 ( 1.304 0.000 0.396) 1.363 35.321 ( 1.382 0.000 1.537) 2.068 35.324 ( -1.587 0.000 2.313) 2.805 35.418 ( 0.503 0.000 2.150) 2.208 35.443 ( -0.052 0.000 1.191) 1.192 36.471 ( 7.388 0.000 17.271) 18.785 37.044 ( -11.419 0.000 -8.522) 14.248 37.099 ( -10.731 0.000 18.985) 21.808 37.689 ( -17.971 0.000 -2.073) 18.090 ======================= Grid point 4 (5/69) ======================= q-point: ( 0.44 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 69 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.454 ( 4.918 0.000 -0.638) 4.959 1.652 ( 2.880 0.000 0.786) 2.985 1.751 ( 4.593 0.000 -0.135) 4.595 1.813 ( -2.878 0.000 -2.539) 3.838 1.849 ( -5.239 0.000 -2.516) 5.812 1.972 ( -2.857 0.000 -3.806) 4.759 1.975 ( 4.850 0.000 5.352) 7.222 2.165 ( 3.522 0.000 9.111) 9.768 2.194 ( -2.354 0.000 -2.170) 3.202 2.277 ( -1.144 0.000 1.173) 1.638 2.353 ( 7.884 0.000 -0.157) 7.885 2.472 ( 2.142 0.000 5.293) 5.710 2.563 ( -0.048 0.000 0.654) 0.656 2.667 ( 0.254 0.000 -3.845) 3.853 2.689 ( -7.797 0.000 -3.697) 8.629 2.726 ( -0.739 0.000 -0.164) 0.757 2.781 ( 8.610 0.000 3.563) 9.318 2.822 ( 2.184 0.000 1.123) 2.456 2.918 ( 11.735 0.000 -3.510) 12.249 2.938 ( 0.361 0.000 -5.471) 5.483 2.966 ( -1.845 0.000 0.033) 1.845 2.997 ( 7.357 0.000 10.620) 12.919 3.050 ( -3.176 0.000 -0.403) 3.202 3.134 ( 7.716 0.000 -2.433) 8.091 3.207 ( 0.022 0.000 2.450) 2.450 3.283 ( -3.437 0.000 -8.018) 8.724 3.348 ( -2.857 0.000 2.087) 3.539 3.412 ( 1.022 0.000 0.586) 1.178 3.475 ( 2.765 0.000 0.891) 2.905 3.542 ( 2.267 0.000 0.027) 2.267 3.597 ( -5.650 0.000 -2.498) 6.178 3.679 ( -0.938 0.000 -0.246) 0.970 3.803 ( -1.192 0.000 -0.829) 1.452 3.966 ( -1.163 0.000 -0.163) 1.175 4.003 ( -1.397 0.000 0.769) 1.594 4.023 ( 2.627 0.000 1.113) 2.853 4.145 ( 3.926 0.000 -2.301) 4.551 4.236 ( -2.835 0.000 -0.330) 2.855 4.262 ( 2.556 0.000 -0.973) 2.735 4.370 ( 0.014 0.000 -3.295) 3.295 4.375 ( 3.506 0.000 8.037) 8.768 4.377 ( -1.233 0.000 -0.568) 1.358 4.467 ( -0.992 0.000 -2.588) 2.771 4.533 ( 1.075 0.000 -0.691) 1.278 4.548 ( 8.141 0.000 0.564) 8.160 4.627 ( -4.134 0.000 6.922) 8.063 4.662 ( -5.876 0.000 -1.374) 6.035 4.670 ( 2.432 0.000 0.103) 2.434 4.742 ( -2.034 0.000 -5.784) 6.132 4.808 ( 1.319 0.000 4.152) 4.356 4.927 ( -1.652 0.000 0.789) 1.831 4.970 ( -1.627 0.000 -0.286) 1.652 5.035 ( 2.208 0.000 1.191) 2.509 5.129 ( -3.018 0.000 -4.847) 5.710 5.194 ( -1.557 0.000 -3.629) 3.949 5.304 ( -3.002 0.000 0.002) 3.002 5.403 ( -1.493 0.000 -0.265) 1.516 5.510 ( 0.230 0.000 -1.433) 1.451 5.546 ( -1.481 0.000 -2.933) 3.286 5.610 ( 1.811 0.000 -0.475) 1.872 5.919 ( -0.109 0.000 2.276) 2.279 6.039 ( 1.295 0.000 2.140) 2.501 6.070 ( -1.689 0.000 -2.512) 3.027 6.080 ( 0.915 0.000 0.641) 1.117 6.159 ( 2.232 0.000 1.082) 2.481 6.268 ( 8.923 0.000 3.221) 9.487 6.368 ( 2.185 0.000 1.193) 2.490 6.379 ( 2.617 0.000 -1.640) 3.088 6.502 ( -1.969 0.000 -1.329) 2.375 6.553 ( 1.183 0.000 -0.240) 1.208 6.595 ( -4.083 0.000 1.355) 4.302 6.616 ( -1.478 0.000 0.221) 1.495 6.911 ( 2.927 0.000 -1.697) 3.383 6.991 ( 4.867 0.000 1.121) 4.995 7.013 ( 5.522 0.000 4.425) 7.077 7.091 ( 1.399 0.000 -1.201) 1.844 7.387 ( -7.417 0.000 -0.601) 7.441 7.428 ( -8.576 0.000 -0.064) 8.576 7.533 ( -12.488 0.000 -5.061) 13.474 7.871 ( -9.839 0.000 0.785) 9.870 8.708 ( 0.884 0.000 -0.646) 1.095 8.752 ( 0.359 0.000 0.987) 1.051 8.788 ( 0.468 0.000 1.194) 1.282 8.968 ( 0.050 0.000 -0.308) 0.312 9.117 ( 0.317 0.000 0.447) 0.549 9.193 ( -0.524 0.000 -1.152) 1.265 9.213 ( 0.370 0.000 0.695) 0.788 9.224 ( 3.998 0.000 -0.649) 4.050 9.287 ( -3.753 0.000 0.603) 3.801 9.413 ( -0.211 0.000 0.308) 0.373 9.537 ( -4.188 0.000 -0.322) 4.200 9.572 ( 1.933 0.000 0.187) 1.942 9.590 ( 5.553 0.000 -0.230) 5.558 9.643 ( -2.714 0.000 0.060) 2.714 9.766 ( -0.915 0.000 -0.355) 0.982 9.768 ( -4.497 0.000 2.080) 4.955 9.929 ( -0.014 0.000 3.761) 3.761 9.940 ( -1.125 0.000 -1.205) 1.648 9.976 ( -3.774 0.000 -3.912) 5.436 10.157 ( 0.017 0.000 2.239) 2.239 10.407 ( -0.814 0.000 0.108) 0.821 10.455 ( -0.838 0.000 -0.086) 0.842 10.625 ( -2.741 0.000 -0.727) 2.836 10.688 ( -0.926 0.000 -0.015) 0.926 11.486 ( 0.279 0.000 -0.130) 0.308 11.532 ( 1.594 0.000 0.418) 1.648 11.598 ( 2.556 0.000 -0.459) 2.597 11.626 ( 3.735 0.000 0.604) 3.783 11.714 ( -2.012 0.000 -0.984) 2.240 11.739 ( -1.237 0.000 -0.044) 1.238 11.775 ( 0.752 0.000 0.600) 0.961 11.804 ( -2.361 0.000 -0.465) 2.407 11.973 ( 1.041 0.000 1.192) 1.583 12.121 ( 1.514 0.000 0.271) 1.538 12.251 ( -0.262 0.000 -0.694) 0.742 12.287 ( 2.157 0.000 -0.015) 2.157 12.646 ( 1.135 0.000 0.197) 1.152 12.649 ( 3.566 0.000 0.846) 3.665 12.772 ( -3.385 0.000 -0.530) 3.426 12.774 ( -0.409 0.000 0.013) 0.410 13.212 ( 4.271 0.000 -0.159) 4.274 13.238 ( 3.342 0.000 0.266) 3.353 13.446 ( -5.400 0.000 0.058) 5.400 13.467 ( -3.886 0.000 0.097) 3.887 13.957 ( 2.946 0.000 0.314) 2.963 13.994 ( 0.580 0.000 0.529) 0.785 14.043 ( -0.697 0.000 -0.432) 0.820 14.072 ( 0.484 0.000 0.009) 0.485 14.167 ( 11.558 0.000 0.298) 11.562 14.282 ( 5.511 0.000 -0.449) 5.529 14.385 ( -10.578 0.000 -0.836) 10.611 14.476 ( -3.544 0.000 1.621) 3.897 14.990 ( 2.764 0.000 0.155) 2.768 15.026 ( 3.874 0.000 -1.212) 4.059 15.127 ( -7.613 0.000 0.275) 7.618 15.182 ( -1.091 0.000 0.871) 1.396 15.341 ( 2.339 0.000 1.024) 2.553 15.345 ( 4.933 0.000 -0.447) 4.953 15.428 ( -1.914 0.000 0.469) 1.971 15.430 ( 0.603 0.000 -0.827) 1.023 15.752 ( 3.041 0.000 -0.804) 3.146 15.812 ( 3.624 0.000 0.786) 3.709 15.851 ( 1.742 0.000 -2.611) 3.139 15.899 ( 4.692 0.000 0.245) 4.698 16.252 ( 0.540 0.000 0.787) 0.955 16.290 ( -2.052 0.000 -0.604) 2.139 16.342 ( -2.446 0.000 0.734) 2.553 16.420 ( -0.182 0.000 -0.915) 0.933 17.080 ( 0.749 0.000 0.187) 0.772 17.105 ( 1.199 0.000 0.738) 1.408 17.138 ( 0.108 0.000 -0.279) 0.299 17.216 ( 0.109 0.000 -0.435) 0.448 19.797 ( 6.501 0.000 -2.543) 6.981 19.802 ( 8.967 0.000 1.482) 9.089 19.910 ( 2.002 0.000 -1.762) 2.667 19.966 ( 0.301 0.000 0.951) 0.997 19.980 ( -3.161 0.000 1.803) 3.639 20.118 ( -7.493 0.000 0.429) 7.506 20.378 ( -4.039 0.000 -1.192) 4.211 20.480 ( -3.836 0.000 -0.641) 3.889 22.013 ( 5.624 0.000 0.383) 5.637 22.049 ( 5.844 0.000 -0.328) 5.853 22.197 ( 7.594 0.000 -0.563) 7.615 22.247 ( 8.846 0.000 0.151) 8.847 22.452 ( -5.643 0.000 -0.851) 5.707 22.592 ( -6.593 0.000 2.911) 7.207 22.616 ( -5.806 0.000 -1.269) 5.943 22.704 ( -8.474 0.000 -0.287) 8.479 27.279 ( 9.852 0.000 0.885) 9.892 27.290 ( 9.112 0.000 -0.974) 9.164 27.650 ( 5.880 0.000 -4.985) 7.709 27.744 ( 17.701 0.000 5.019) 18.399 28.096 ( -9.360 0.000 0.874) 9.401 28.163 ( -9.939 0.000 -0.840) 9.974 28.391 ( -16.120 0.000 -3.183) 16.431 28.636 ( -9.233 0.000 -0.017) 9.233 30.314 ( 4.908 0.000 0.984) 5.006 30.374 ( 5.553 0.000 -0.565) 5.582 30.401 ( 0.714 0.000 1.161) 1.363 30.432 ( 1.158 0.000 -0.074) 1.161 30.631 ( 6.952 0.000 -2.977) 7.562 30.687 ( 4.913 0.000 0.067) 4.914 30.843 ( -5.872 0.000 -1.535) 6.069 30.858 ( 5.521 0.000 -0.923) 5.598 30.896 ( -4.481 0.000 -1.477) 4.718 31.016 ( -3.482 0.000 1.235) 3.695 31.156 ( -4.933 0.000 1.252) 5.089 31.275 ( -3.704 0.000 -2.677) 4.570 31.855 ( 1.426 0.000 0.412) 1.484 31.881 ( 1.676 0.000 1.725) 2.405 32.115 ( -1.468 0.000 -7.077) 7.228 32.337 ( 3.513 0.000 0.241) 3.522 32.657 ( 3.575 0.000 1.796) 4.001 32.714 ( 3.674 0.000 1.169) 3.855 32.957 ( 5.835 0.000 -1.859) 6.124 32.982 ( 10.624 0.000 0.181) 10.625 33.109 ( -1.258 0.000 1.063) 1.647 33.121 ( -0.037 0.000 3.044) 3.044 33.187 ( -6.018 0.000 -0.279) 6.025 33.250 ( -5.432 0.000 -2.747) 6.087 33.973 ( -2.243 0.000 -3.340) 4.023 34.083 ( -4.335 0.000 -3.740) 5.726 34.668 ( 1.204 0.000 0.977) 1.550 34.708 ( 0.857 0.000 2.609) 2.746 34.805 ( 0.258 0.000 -0.956) 0.990 35.025 ( 0.399 0.000 -0.726) 0.829 35.136 ( 0.443 0.000 0.847) 0.956 35.275 ( 0.532 0.000 -0.172) 0.559 35.324 ( -0.528 0.000 0.674) 0.856 35.349 ( 0.553 0.000 0.672) 0.870 35.448 ( 0.438 0.000 1.199) 1.277 35.451 ( 0.021 0.000 0.328) 0.329 36.683 ( 2.833 0.000 6.092) 6.719 36.841 ( -4.790 0.000 -3.574) 5.976 37.128 ( -3.473 0.000 6.082) 7.004 37.459 ( -7.741 0.000 -1.137) 7.824 ======================= Grid point 9 (6/69) ======================= q-point: ( 0.00 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 46 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.426 ( 0.000 22.747 0.000) 22.747 0.577 ( 0.000 29.341 0.000) 29.341 0.996 ( 0.000 49.420 0.000) 49.420 1.142 ( 0.000 -8.998 0.000) 8.998 1.469 ( 0.000 -11.860 0.000) 11.860 1.581 ( 0.000 5.369 0.000) 5.369 1.760 ( 0.000 -0.323 0.000) 0.323 1.914 ( 0.000 8.068 0.000) 8.068 1.947 ( 0.000 1.098 0.000) 1.098 2.205 ( 0.000 5.066 0.000) 5.066 2.230 ( 0.000 4.689 0.000) 4.689 2.365 ( 0.000 1.210 0.000) 1.210 2.405 ( 0.000 -0.401 0.000) 0.401 2.478 ( 0.000 -5.117 0.000) 5.117 2.497 ( 0.000 -7.563 0.000) 7.563 2.507 ( 0.000 -10.998 0.000) 10.998 2.784 ( 0.000 -1.506 0.000) 1.506 2.816 ( 0.000 1.099 0.000) 1.099 2.865 ( 0.000 2.192 0.000) 2.192 2.879 ( 0.000 -0.629 0.000) 0.629 2.903 ( 0.000 -2.923 0.000) 2.923 2.973 ( 0.000 2.765 0.000) 2.765 3.049 ( 0.000 5.335 0.000) 5.335 3.084 ( 0.000 3.801 0.000) 3.801 3.133 ( 0.000 -1.505 0.000) 1.505 3.187 ( 0.000 2.291 0.000) 2.291 3.253 ( 0.000 -11.364 0.000) 11.364 3.289 ( 0.000 1.449 0.000) 1.449 3.294 ( 0.000 -2.704 0.000) 2.704 3.470 ( 0.000 -3.568 0.000) 3.568 3.513 ( 0.000 0.442 0.000) 0.442 3.531 ( 0.000 -0.479 0.000) 0.479 3.595 ( 0.000 -5.401 0.000) 5.401 3.676 ( 0.000 2.866 0.000) 2.866 3.739 ( 0.000 9.956 0.000) 9.956 3.851 ( 0.000 -10.980 0.000) 10.980 3.930 ( 0.000 2.188 0.000) 2.188 4.002 ( 0.000 -4.370 0.000) 4.370 4.094 ( 0.000 6.939 0.000) 6.939 4.244 ( 0.000 6.544 0.000) 6.544 4.419 ( 0.000 -5.231 0.000) 5.231 4.422 ( 0.000 -3.236 0.000) 3.236 4.466 ( 0.000 -11.745 0.000) 11.745 4.501 ( 0.000 -1.051 0.000) 1.051 4.674 ( 0.000 0.864 0.000) 0.864 4.766 ( 0.000 8.877 0.000) 8.877 4.816 ( 0.000 1.745 0.000) 1.745 4.875 ( 0.000 -3.680 0.000) 3.680 5.001 ( 0.000 -0.208 0.000) 0.208 5.047 ( 0.000 3.596 0.000) 3.596 5.064 ( 0.000 0.545 0.000) 0.545 5.159 ( 0.000 -1.644 0.000) 1.644 5.243 ( 0.000 2.190 0.000) 2.190 5.275 ( 0.000 1.290 0.000) 1.290 5.333 ( 0.000 -1.097 0.000) 1.097 5.367 ( 0.000 -3.198 0.000) 3.198 5.498 ( 0.000 1.575 0.000) 1.575 5.547 ( 0.000 3.125 0.000) 3.125 5.611 ( 0.000 2.963 0.000) 2.963 5.714 ( 0.000 0.877 0.000) 0.877 5.794 ( 0.000 1.310 0.000) 1.310 5.809 ( 0.000 0.539 0.000) 0.539 5.893 ( 0.000 -1.542 0.000) 1.542 5.977 ( 0.000 -2.229 0.000) 2.229 6.106 ( 0.000 1.484 0.000) 1.484 6.159 ( 0.000 -1.425 0.000) 1.425 6.219 ( 0.000 -0.421 0.000) 0.421 6.273 ( 0.000 -1.807 0.000) 1.807 6.482 ( 0.000 -6.522 0.000) 6.522 6.503 ( 0.000 -5.597 0.000) 5.597 6.558 ( 0.000 0.644 0.000) 0.644 6.726 ( 0.000 -5.356 0.000) 5.356 6.824 ( 0.000 0.774 0.000) 0.774 6.840 ( 0.000 1.217 0.000) 1.217 6.906 ( 0.000 4.673 0.000) 4.673 7.074 ( 0.000 -2.043 0.000) 2.043 8.404 ( 0.000 4.419 0.000) 4.419 8.460 ( 0.000 0.275 0.000) 0.275 8.484 ( 0.000 -0.771 0.000) 0.771 8.584 ( 0.000 5.192 0.000) 5.192 8.639 ( 0.000 -4.140 0.000) 4.140 8.733 ( 0.000 -0.689 0.000) 0.689 8.762 ( 0.000 5.373 0.000) 5.373 8.802 ( 0.000 -1.033 0.000) 1.033 8.931 ( 0.000 -6.332 0.000) 6.332 9.058 ( 0.000 -4.716 0.000) 4.716 9.096 ( 0.000 -0.780 0.000) 0.780 9.116 ( 0.000 5.834 0.000) 5.834 9.165 ( 0.000 -3.574 0.000) 3.574 9.237 ( 0.000 2.428 0.000) 2.428 9.378 ( 0.000 -2.256 0.000) 2.256 9.402 ( 0.000 -5.495 0.000) 5.495 9.610 ( 0.000 5.588 0.000) 5.588 9.832 ( 0.000 -5.271 0.000) 5.271 10.128 ( 0.000 2.387 0.000) 2.387 10.152 ( 0.000 3.177 0.000) 3.177 10.242 ( 0.000 1.594 0.000) 1.594 10.280 ( 0.000 2.275 0.000) 2.275 10.301 ( 0.000 -0.625 0.000) 0.625 10.457 ( 0.000 -3.370 0.000) 3.370 10.696 ( 0.000 0.951 0.000) 0.951 10.772 ( 0.000 3.582 0.000) 3.582 10.784 ( 0.000 -2.963 0.000) 2.963 10.940 ( 0.000 -2.830 0.000) 2.830 11.073 ( 0.000 3.511 0.000) 3.511 11.113 ( 0.000 4.902 0.000) 4.902 11.277 ( 0.000 -5.764 0.000) 5.764 11.363 ( 0.000 -5.045 0.000) 5.045 11.768 ( 0.000 1.962 0.000) 1.962 11.832 ( 0.000 -0.345 0.000) 0.345 11.904 ( 0.000 0.226 0.000) 0.226 11.930 ( 0.000 -1.110 0.000) 1.110 12.029 ( 0.000 0.899 0.000) 0.899 12.033 ( 0.000 1.679 0.000) 1.679 12.158 ( 0.000 6.226 0.000) 6.226 12.264 ( 0.000 3.507 0.000) 3.507 12.497 ( 0.000 5.229 0.000) 5.229 12.588 ( 0.000 2.472 0.000) 2.472 12.688 ( 0.000 -4.226 0.000) 4.226 12.768 ( 0.000 -3.934 0.000) 3.934 13.078 ( 0.000 3.532 0.000) 3.532 13.135 ( 0.000 -2.414 0.000) 2.414 13.168 ( 0.000 -1.890 0.000) 1.890 13.235 ( 0.000 -2.823 0.000) 2.823 14.025 ( 0.000 10.505 0.000) 10.505 14.095 ( 0.000 1.863 0.000) 1.863 14.110 ( 0.000 -0.920 0.000) 0.920 14.166 ( 0.000 3.773 0.000) 3.773 14.278 ( 0.000 -1.444 0.000) 1.444 14.396 ( 0.000 -0.507 0.000) 0.507 14.429 ( 0.000 0.290 0.000) 0.290 14.484 ( 0.000 -1.168 0.000) 1.168 14.583 ( 0.000 0.242 0.000) 0.242 14.732 ( 0.000 -6.960 0.000) 6.960 14.798 ( 0.000 0.323 0.000) 0.323 14.871 ( 0.000 -2.321 0.000) 2.321 14.904 ( 0.000 7.726 0.000) 7.726 15.321 ( 0.000 -9.227 0.000) 9.227 15.552 ( 0.000 0.080 0.000) 0.080 15.573 ( 0.000 -0.963 0.000) 0.963 15.618 ( 0.000 1.220 0.000) 1.220 15.652 ( 0.000 -0.290 0.000) 0.290 15.866 ( 0.000 4.292 0.000) 4.292 16.017 ( 0.000 -1.640 0.000) 1.640 16.215 ( 0.000 0.208 0.000) 0.208 16.215 ( 0.000 0.416 0.000) 0.416 16.253 ( 0.000 -0.955 0.000) 0.955 16.280 ( 0.000 -2.230 0.000) 2.230 17.038 ( 0.000 0.889 0.000) 0.889 17.070 ( 0.000 -0.487 0.000) 0.487 17.086 ( 0.000 1.099 0.000) 1.099 17.133 ( 0.000 -0.828 0.000) 0.828 19.454 ( 0.000 3.278 0.000) 3.278 19.599 ( 0.000 2.576 0.000) 2.576 19.646 ( 0.000 -4.691 0.000) 4.691 19.719 ( 0.000 -2.387 0.000) 2.387 20.468 ( 0.000 0.902 0.000) 0.902 20.505 ( 0.000 -0.579 0.000) 0.579 20.703 ( 0.000 0.819 0.000) 0.819 20.742 ( 0.000 -0.754 0.000) 0.754 21.567 ( 0.000 -0.012 0.000) 0.012 21.581 ( 0.000 -0.563 0.000) 0.563 21.670 ( 0.000 0.655 0.000) 0.655 21.707 ( 0.000 -0.845 0.000) 0.845 22.903 ( 0.000 1.839 0.000) 1.839 23.004 ( 0.000 -2.431 0.000) 2.431 23.117 ( 0.000 1.020 0.000) 1.020 23.161 ( 0.000 -0.775 0.000) 0.775 26.568 ( 0.000 0.140 0.000) 0.140 26.577 ( 0.000 -0.251 0.000) 0.251 26.617 ( 0.000 0.218 0.000) 0.218 26.623 ( 0.000 -0.047 0.000) 0.047 29.305 ( 0.000 1.659 0.000) 1.659 29.349 ( 0.000 1.814 0.000) 1.814 29.478 ( 0.000 0.967 0.000) 0.967 29.479 ( 0.000 1.852 0.000) 1.852 29.545 ( 0.000 -0.318 0.000) 0.318 29.702 ( 0.000 -3.981 0.000) 3.981 30.255 ( 0.000 2.417 0.000) 2.417 30.284 ( 0.000 0.650 0.000) 0.650 30.316 ( 0.000 -0.642 0.000) 0.642 30.387 ( 0.000 -3.006 0.000) 3.006 30.783 ( 0.000 1.634 0.000) 1.634 30.864 ( 0.000 -1.757 0.000) 1.757 31.391 ( 0.000 -0.136 0.000) 0.136 31.410 ( 0.000 -0.778 0.000) 0.778 31.844 ( 0.000 2.199 0.000) 2.199 31.926 ( 0.000 -1.682 0.000) 1.682 31.945 ( 0.000 2.251 0.000) 2.251 32.013 ( 0.000 0.056 0.000) 0.056 32.078 ( 0.000 2.880 0.000) 2.880 32.125 ( 0.000 -0.304 0.000) 0.304 32.165 ( 0.000 -2.680 0.000) 2.680 32.209 ( 0.000 -2.031 0.000) 2.031 33.000 ( 0.000 1.799 0.000) 1.799 33.078 ( 0.000 -1.420 0.000) 1.420 33.673 ( 0.000 1.344 0.000) 1.344 33.752 ( 0.000 -1.902 0.000) 1.902 33.922 ( 0.000 1.760 0.000) 1.760 33.996 ( 0.000 -1.384 0.000) 1.384 34.216 ( 0.000 1.672 0.000) 1.672 34.312 ( 0.000 -2.924 0.000) 2.924 34.423 ( 0.000 2.211 0.000) 2.211 34.477 ( 0.000 -0.573 0.000) 0.573 34.896 ( 0.000 1.665 0.000) 1.665 34.944 ( 0.000 -0.011 0.000) 0.011 35.078 ( 0.000 -0.782 0.000) 0.782 35.084 ( 0.000 -1.381 0.000) 1.381 35.195 ( 0.000 0.635 0.000) 0.635 35.220 ( 0.000 -0.697 0.000) 0.697 35.269 ( 0.000 1.543 0.000) 1.543 35.336 ( 0.000 -1.686 0.000) 1.686 35.427 ( 0.000 0.260 0.000) 0.260 35.428 ( 0.000 0.449 0.000) 0.449 37.930 ( 0.000 6.659 0.000) 6.659 38.265 ( 0.000 -7.159 0.000) 7.159 ======================= Grid point 10 (7/69) ======================= q-point: ( 0.11 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.585 ( 11.431 19.589 3.968) 23.025 0.901 ( 20.094 13.270 22.960) 33.271 1.210 ( 19.435 32.418 6.358) 38.328 1.294 ( 4.939 -8.527 10.546) 14.434 1.504 ( 6.941 -9.596 2.719) 12.151 1.589 ( 6.111 4.965 -2.462) 8.249 1.798 ( 2.487 -2.202 3.426) 4.773 1.876 ( 0.864 6.906 -4.565) 8.324 1.996 ( -0.791 1.304 5.597) 5.801 2.179 ( 0.342 5.651 -3.342) 6.574 2.315 ( 7.314 1.117 -2.315) 7.752 2.355 ( -0.269 -1.048 3.824) 3.974 2.442 ( -2.791 -6.196 -3.327) 7.566 2.486 ( 2.703 1.514 4.278) 5.282 2.546 ( 7.010 -4.889 0.736) 8.579 2.639 ( 8.053 -9.419 2.774) 12.699 2.701 ( -2.430 1.139 -4.029) 4.841 2.834 ( -2.780 5.444 0.460) 6.130 2.851 ( 3.432 0.069 -2.752) 4.399 2.873 ( 0.959 -1.266 -5.457) 5.683 2.957 ( -4.641 3.522 -1.585) 6.038 2.986 ( -0.287 -3.027 -2.227) 3.769 3.029 ( -0.917 -1.579 2.211) 2.867 3.112 ( 15.244 -4.420 0.746) 15.889 3.140 ( -0.794 -0.256 0.001) 0.834 3.161 ( -0.353 4.013 2.913) 4.971 3.268 ( -0.214 0.268 -1.906) 1.936 3.285 ( 0.293 -3.620 2.345) 4.324 3.376 ( 5.304 -6.049 5.664) 9.839 3.429 ( -4.095 2.281 3.381) 5.780 3.520 ( -0.133 1.819 -2.000) 2.706 3.620 ( 0.210 -4.645 4.524) 6.487 3.662 ( 5.140 -2.563 -1.794) 6.017 3.754 ( 3.076 -4.183 3.844) 6.460 3.843 ( 7.923 0.785 6.933) 10.558 3.887 ( 5.064 -4.807 0.377) 6.993 3.976 ( 0.526 1.856 3.546) 4.037 4.060 ( 3.398 -4.688 4.827) 7.538 4.165 ( 3.176 4.235 5.823) 7.869 4.254 ( -0.414 7.851 0.959) 7.920 4.333 ( -1.540 -2.657 -0.412) 3.098 4.431 ( -1.954 -3.239 -2.988) 4.820 4.471 ( -0.347 -9.130 1.223) 9.218 4.589 ( 2.487 -2.380 2.621) 4.326 4.622 ( -3.797 0.748 -1.797) 4.266 4.764 ( 2.453 3.678 -7.440) 8.654 4.813 ( -0.177 4.214 -1.903) 4.627 4.822 ( -5.156 -5.565 2.832) 8.098 4.956 ( -1.414 -0.698 -4.730) 4.986 5.043 ( 2.110 2.763 -5.626) 6.613 5.056 ( -2.187 3.589 1.598) 4.496 5.138 ( -2.984 -2.280 -0.568) 3.798 5.199 ( -0.145 4.202 -3.769) 5.646 5.268 ( -3.069 -0.481 0.021) 3.106 5.321 ( 0.403 -0.881 -0.777) 1.242 5.362 ( -0.687 -3.418 1.471) 3.784 5.496 ( 1.447 0.707 -2.420) 2.906 5.559 ( 0.787 0.713 -1.272) 1.657 5.602 ( -0.092 -0.793 -0.100) 0.804 5.651 ( -7.118 0.540 -1.132) 7.227 5.776 ( 3.811 2.220 -0.106) 4.412 5.849 ( 4.097 1.180 0.827) 4.343 5.900 ( 0.459 -0.800 1.687) 1.922 5.936 ( -0.969 -1.968 -2.999) 3.716 6.112 ( -2.277 -0.009 1.292) 2.618 6.171 ( -4.672 -0.828 3.635) 5.977 6.217 ( 0.409 4.039 1.436) 4.306 6.243 ( 1.319 0.227 -5.213) 5.382 6.440 ( -0.423 -5.964 -2.532) 6.493 6.529 ( -0.135 -6.408 1.740) 6.642 6.609 ( 2.792 0.113 2.785) 3.945 6.739 ( -0.438 -3.878 1.953) 4.363 6.754 ( -3.046 4.368 -1.704) 5.591 6.820 ( -5.355 0.607 6.653) 8.562 6.926 ( 1.979 2.292 -0.736) 3.116 7.081 ( -0.829 -1.601 0.784) 1.966 8.232 ( -15.453 3.939 0.117) 15.948 8.301 ( -17.024 0.160 -0.205) 17.026 8.351 ( -14.468 -1.650 -1.472) 14.636 8.515 ( -13.836 -6.098 0.559) 15.131 8.657 ( 3.474 5.356 2.885) 7.005 8.747 ( 0.725 3.113 -1.212) 3.419 8.791 ( 1.559 3.306 -1.135) 3.827 8.865 ( 7.086 1.107 0.045) 7.172 8.978 ( 5.843 -4.700 -0.285) 7.504 9.050 ( 1.960 -3.257 -2.814) 4.730 9.111 ( 0.276 -0.951 0.611) 1.164 9.132 ( 0.617 0.936 1.107) 1.575 9.195 ( 5.771 -1.854 -2.174) 6.440 9.286 ( 4.999 0.618 -0.601) 5.073 9.371 ( -0.854 -3.000 2.557) 4.033 9.429 ( 2.879 -2.326 -0.460) 3.730 9.634 ( 1.775 5.199 1.382) 5.665 9.830 ( -1.596 -4.348 2.127) 5.097 10.071 ( -7.371 1.901 0.732) 7.647 10.091 ( -7.966 3.085 -0.378) 8.551 10.158 ( -7.277 -1.513 -1.440) 7.571 10.208 ( -6.242 -0.762 -1.364) 6.435 10.301 ( -2.931 0.990 -0.326) 3.110 10.361 ( -8.663 -1.429 -1.534) 8.913 10.660 ( -4.299 1.767 -0.376) 4.664 10.716 ( -5.532 3.630 -1.549) 6.796 10.760 ( -3.194 -2.484 1.649) 4.369 10.877 ( -5.712 -3.019 -1.234) 6.578 11.177 ( 10.576 1.218 -0.413) 10.654 11.207 ( 9.912 1.764 -0.285) 10.071 11.310 ( 3.418 -3.505 1.030) 5.003 11.378 ( 2.465 -3.721 -0.224) 4.469 11.775 ( 0.807 2.464 -0.164) 2.598 11.839 ( 0.889 0.174 -0.210) 0.930 11.883 ( -2.485 0.260 0.125) 2.501 11.947 ( 3.182 -1.951 -1.036) 3.873 11.965 ( -4.190 2.443 0.583) 4.885 12.020 ( -3.559 0.135 0.044) 3.562 12.158 ( -0.294 4.380 1.236) 4.560 12.257 ( -1.311 2.998 -0.145) 3.276 12.507 ( 1.849 4.375 -0.898) 4.834 12.576 ( 1.665 7.125 -0.593) 7.341 12.708 ( 1.812 -4.536 0.600) 4.921 12.780 ( 1.064 -2.785 0.332) 3.000 13.094 ( 2.417 4.321 -0.098) 4.952 13.138 ( 0.705 -0.205 0.129) 0.746 13.304 ( 8.862 -4.503 -0.640) 9.961 13.354 ( 14.499 -11.987 -1.181) 18.849 13.992 ( -7.454 9.257 0.258) 11.888 14.010 ( -7.218 3.143 -0.486) 7.888 14.055 ( -5.035 1.327 -0.079) 5.208 14.140 ( -0.356 3.557 0.360) 3.593 14.197 ( -6.431 0.045 0.206) 6.434 14.327 ( -1.455 6.396 -3.123) 7.265 14.499 ( 6.581 -0.447 0.058) 6.597 14.576 ( 3.358 -1.822 1.621) 4.150 14.637 ( 7.100 1.204 1.259) 7.311 14.805 ( 8.425 -0.234 -0.558) 8.446 14.907 ( 10.561 -0.593 -0.408) 10.585 14.947 ( 9.896 -2.167 -0.772) 10.160 15.010 ( 12.376 4.547 -2.298) 13.383 15.324 ( -1.361 -7.474 1.932) 7.839 15.399 ( -10.563 9.392 -3.748) 14.623 15.520 ( -5.983 0.040 -0.645) 6.018 15.577 ( -2.092 -0.018 0.623) 2.183 15.621 ( -3.090 -1.642 1.725) 3.901 15.763 ( 7.268 2.581 -10.383) 12.935 15.977 ( -4.206 -5.381 -3.436) 7.646 16.240 ( 3.445 0.190 0.263) 3.460 16.261 ( 2.595 1.719 0.604) 3.171 16.280 ( 5.306 -0.692 -1.366) 5.523 16.430 ( 12.361 -6.964 -10.134) 17.435 17.043 ( 0.131 0.556 0.396) 0.695 17.062 ( -0.324 0.218 -0.485) 0.623 17.098 ( 1.242 1.095 0.168) 1.664 17.148 ( 1.452 -0.924 0.527) 1.800 19.471 ( 2.321 2.889 -0.019) 3.706 19.628 ( 5.131 1.930 -2.188) 5.903 19.650 ( -0.049 -4.159 1.011) 4.280 19.731 ( 3.114 -2.120 -2.009) 4.269 20.415 ( -6.097 1.503 -0.601) 6.308 20.470 ( -4.717 -0.784 0.550) 4.813 20.699 ( -1.768 -0.144 -0.130) 1.779 20.717 ( -3.150 -0.413 0.087) 3.178 21.598 ( 6.068 2.025 1.063) 6.484 21.648 ( 3.280 -0.163 3.725) 4.966 21.723 ( 7.578 -0.508 -1.891) 7.827 21.749 ( 5.285 -0.983 -0.260) 5.382 22.864 ( -3.848 1.754 -1.689) 4.554 22.963 ( -3.615 -2.367 -2.398) 4.942 23.042 ( -9.833 0.575 1.893) 10.030 23.089 ( -7.041 -2.573 1.217) 7.594 26.632 ( 8.115 0.524 -0.096) 8.133 26.641 ( 9.796 0.704 -0.494) 9.834 26.711 ( 12.887 1.599 0.620) 13.000 27.003 ( 33.797 -20.976 -8.068) 40.587 29.091 ( -22.022 4.148 -0.007) 22.409 29.198 ( -17.280 4.820 -0.482) 17.946 29.268 ( -19.578 -3.534 1.295) 19.937 29.336 ( -12.142 -2.228 0.690) 12.365 29.782 ( 19.842 4.428 -0.145) 20.331 29.964 ( 17.624 -1.808 0.861) 17.737 30.203 ( -4.612 10.961 -3.423) 12.374 30.286 ( 2.453 0.625 -0.275) 2.546 30.307 ( 3.447 0.377 0.374) 3.487 30.387 ( 0.869 -1.800 -0.900) 2.191 30.623 ( 0.084 14.562 -7.567) 16.411 30.962 ( 7.064 -8.154 -4.904) 11.850 31.357 ( -3.946 -0.195 -1.295) 4.158 31.387 ( -4.007 -0.749 1.119) 4.227 31.690 ( -12.615 10.072 -10.206) 19.098 31.823 ( -9.176 -0.608 0.307) 9.202 31.867 ( -7.276 3.129 -1.005) 7.984 32.000 ( -0.263 -2.207 0.519) 2.282 32.086 ( 1.824 15.833 -18.838) 24.676 32.142 ( 8.468 2.861 -3.006) 9.431 32.275 ( 11.210 -1.548 -1.741) 11.449 32.324 ( 12.127 -2.151 -1.298) 12.385 32.493 ( 0.502 23.532 -30.122) 38.227 33.004 ( -4.669 -2.950 -8.346) 10.008 33.112 ( -3.214 5.970 -1.835) 7.024 33.524 ( -9.697 -7.096 -25.064) 27.795 33.625 ( -6.320 1.169 -11.156) 12.875 33.708 ( -5.092 -2.016 -3.884) 6.714 34.333 ( 3.431 -0.490 2.369) 4.198 34.340 ( -0.222 -0.620 -0.873) 1.093 34.460 ( 0.482 1.778 1.458) 2.350 34.512 ( 3.351 -0.385 -3.088) 4.573 34.892 ( 3.781 1.361 -8.662) 9.549 34.953 ( 2.859 -0.936 -1.732) 3.471 35.095 ( 0.335 1.529 -0.052) 1.566 35.184 ( 1.926 -1.946 1.912) 3.339 35.235 ( 0.119 0.205 1.668) 1.685 35.260 ( -1.644 -1.251 7.185) 7.476 35.379 ( -1.905 1.049 5.768) 6.164 35.407 ( -3.181 -0.234 6.233) 7.002 35.672 ( 12.976 5.294 26.755) 30.203 36.347 ( -2.035 -37.292 70.497) 79.779 37.777 ( -13.304 11.153 -4.023) 17.820 38.170 ( -10.853 -7.572 -1.463) 13.314 ======================= Grid point 11 (8/69) ======================= q-point: ( 0.22 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.937 ( 21.323 6.431 9.158) 24.081 1.323 ( 13.360 9.937 4.891) 17.354 1.443 ( 6.977 -0.416 7.589) 10.317 1.670 ( 19.219 2.209 12.036) 22.784 1.736 ( 10.137 -2.008 9.093) 13.764 1.809 ( 9.854 1.931 7.424) 12.488 1.870 ( 6.956 5.001 -3.697) 9.331 1.880 ( 8.421 -0.557 4.178) 9.417 2.040 ( 0.122 -0.497 5.756) 5.779 2.173 ( 0.440 4.132 2.165) 4.685 2.250 ( -6.826 -5.925 -9.133) 12.850 2.414 ( 6.383 -0.947 -0.303) 6.460 2.477 ( 7.182 -0.236 1.378) 7.317 2.501 ( -3.722 -4.024 -8.837) 10.399 2.596 ( -2.001 -0.375 2.226) 3.017 2.671 ( 2.004 -1.156 -2.323) 3.278 2.748 ( 2.179 -4.447 0.886) 5.031 2.789 ( -2.187 2.629 0.484) 3.454 2.846 ( 3.458 2.065 -0.191) 4.032 2.910 ( 6.163 3.587 1.400) 7.267 2.941 ( -0.031 -0.123 2.474) 2.477 2.991 ( -1.131 1.416 -4.147) 4.526 2.998 ( 3.908 -3.208 -0.433) 5.074 3.120 ( -0.317 -4.906 -1.863) 5.257 3.233 ( 4.926 2.172 -2.871) 6.101 3.250 ( 4.579 0.982 -0.885) 4.766 3.300 ( -1.872 7.752 -0.404) 7.985 3.333 ( 6.638 4.090 2.983) 8.348 3.421 ( 3.683 -2.003 3.374) 5.381 3.513 ( 2.192 1.561 0.188) 2.698 3.579 ( 0.946 -2.907 4.511) 5.449 3.615 ( 4.278 -1.439 2.989) 5.414 3.726 ( 5.749 -1.451 -1.298) 6.070 3.863 ( 2.628 -7.280 3.172) 8.364 3.993 ( 5.782 5.822 0.734) 8.238 4.000 ( 5.790 -1.861 4.035) 7.298 4.050 ( 0.984 2.059 6.212) 6.618 4.136 ( 1.572 -3.182 2.666) 4.439 4.224 ( 1.219 -3.721 0.481) 3.945 4.273 ( -1.385 -0.542 -2.699) 3.081 4.324 ( 1.157 3.361 0.664) 3.617 4.376 ( -1.328 0.791 2.710) 3.120 4.429 ( -3.108 -1.818 -2.849) 4.591 4.512 ( -6.462 2.151 -3.165) 7.510 4.601 ( -2.307 1.055 0.868) 2.682 4.646 ( -4.503 -5.348 -3.929) 8.019 4.781 ( -3.634 -1.249 0.715) 3.908 4.809 ( -2.243 -0.998 -0.690) 2.550 4.890 ( -1.209 1.345 -5.062) 5.375 4.970 ( -1.859 -1.468 -6.674) 7.082 4.991 ( -2.387 3.178 -5.329) 6.648 5.113 ( 0.267 1.883 0.801) 2.063 5.173 ( 0.078 4.313 -2.367) 4.920 5.213 ( -3.496 -2.006 -0.745) 4.099 5.268 ( -2.891 1.646 -1.295) 3.570 5.409 ( 4.480 -4.644 -1.222) 6.567 5.469 ( -2.014 -0.799 -0.140) 2.171 5.537 ( -2.169 -2.746 -2.917) 4.556 5.578 ( 0.949 -3.093 -2.406) 4.032 5.622 ( 1.947 -1.292 -3.554) 4.254 5.839 ( 3.918 -0.142 -0.275) 3.931 5.904 ( 1.557 -0.764 2.426) 2.983 5.962 ( 3.819 -1.163 2.327) 4.621 5.969 ( 3.398 -1.106 3.229) 4.816 6.076 ( -0.145 1.979 1.715) 2.623 6.111 ( -3.091 0.018 -0.426) 3.120 6.242 ( 1.948 1.632 -0.963) 2.718 6.251 ( 2.587 7.399 0.603) 7.861 6.412 ( -1.049 -5.213 -0.372) 5.331 6.550 ( 2.020 -5.839 -0.130) 6.179 6.652 ( -1.154 0.245 0.483) 1.274 6.709 ( -0.695 2.769 -0.374) 2.879 6.768 ( 0.949 -3.799 3.208) 5.061 6.838 ( -0.833 -2.252 3.146) 3.958 6.929 ( 0.092 1.729 -1.177) 2.093 7.063 ( -1.796 -1.004 0.109) 2.061 7.971 ( -18.124 3.398 0.032) 18.439 7.992 ( -21.172 1.858 -0.621) 21.262 8.092 ( -16.206 -2.977 -2.327) 16.641 8.266 ( -18.244 -6.680 1.480) 19.485 8.722 ( 0.817 4.079 2.678) 4.947 8.753 ( 2.517 3.715 -2.576) 5.174 8.788 ( -1.158 4.955 0.498) 5.112 8.937 ( 3.668 -0.326 -0.938) 3.800 9.059 ( 2.556 -2.110 -0.344) 3.332 9.089 ( 5.523 -4.021 0.203) 6.835 9.121 ( 0.564 -0.819 0.566) 1.144 9.161 ( 3.406 -1.603 -1.534) 4.065 9.260 ( 5.460 -2.122 -2.315) 6.299 9.325 ( 0.915 -2.790 0.945) 3.084 9.443 ( 5.523 0.561 1.106) 5.660 9.466 ( 2.316 0.080 0.278) 2.334 9.682 ( 1.214 4.097 2.033) 4.732 9.816 ( -4.445 -2.424 1.885) 5.403 9.934 ( -10.853 1.465 0.518) 10.964 9.949 ( -9.958 1.730 3.107) 10.574 10.007 ( -8.905 -2.936 -1.780) 9.544 10.071 ( -8.130 -2.523 -0.597) 8.533 10.189 ( -7.749 1.026 -1.589) 7.976 10.245 ( -5.530 0.080 -1.781) 5.810 10.564 ( -6.389 2.573 -1.199) 6.991 10.612 ( -5.136 3.950 -0.812) 6.530 10.717 ( -4.675 -3.787 1.006) 6.100 10.774 ( -5.838 -2.978 -0.195) 6.557 11.342 ( 10.652 0.061 -0.428) 10.661 11.357 ( 8.794 -1.033 -0.172) 8.856 11.411 ( 8.021 -0.289 1.136) 8.106 11.431 ( 4.046 -1.142 0.214) 4.210 11.779 ( -1.115 3.383 0.900) 3.674 11.830 ( -1.024 2.387 -2.245) 3.433 11.850 ( -1.412 -0.997 0.327) 1.759 11.926 ( -2.326 2.534 1.290) 3.673 11.953 ( -4.293 1.172 0.468) 4.475 11.999 ( 3.468 -2.992 -0.509) 4.608 12.167 ( 0.182 -0.369 0.361) 0.548 12.235 ( -0.611 -0.666 -0.275) 0.945 12.539 ( 3.225 4.124 0.028) 5.235 12.617 ( 3.718 5.789 -0.516) 6.899 12.741 ( 1.426 -4.209 0.306) 4.455 12.804 ( 1.200 -2.085 0.170) 2.411 13.144 ( 4.171 6.131 -0.287) 7.421 13.171 ( 3.206 4.209 0.459) 5.310 13.452 ( 8.912 -8.251 -0.483) 12.155 13.505 ( 6.531 -10.439 -0.628) 12.330 13.883 ( -3.634 7.414 -0.112) 8.258 13.902 ( -3.625 8.012 -0.640) 8.817 14.022 ( -0.600 -2.148 0.989) 2.439 14.082 ( -4.070 -1.013 -0.515) 4.226 14.189 ( 0.119 8.597 1.503) 8.728 14.296 ( -0.217 10.196 -1.493) 10.307 14.542 ( -0.571 -0.406 0.847) 1.099 14.606 ( -1.653 -1.838 -0.079) 2.473 14.780 ( 8.558 2.487 0.543) 8.928 14.930 ( 8.173 2.289 -0.985) 8.545 15.074 ( 7.804 -1.609 -0.044) 7.968 15.092 ( 10.099 -1.930 -0.307) 10.286 15.169 ( 8.422 0.299 -0.556) 8.446 15.289 ( -1.629 0.813 -0.820) 1.997 15.324 ( 1.950 -3.520 0.397) 4.044 15.418 ( -6.450 -2.203 -0.511) 6.835 15.610 ( 4.761 0.930 2.214) 5.332 15.638 ( 3.354 -1.670 2.451) 4.477 15.755 ( 3.198 0.306 -6.816) 7.536 15.874 ( -0.959 -4.885 -6.172) 7.930 16.276 ( 0.212 1.851 -0.220) 1.876 16.315 ( 2.439 0.153 2.124) 3.238 16.352 ( 4.819 -0.190 -1.523) 5.058 16.434 ( 2.198 -3.244 -6.241) 7.369 17.050 ( 0.426 0.454 0.479) 0.785 17.058 ( 0.252 0.555 0.057) 0.612 17.123 ( 1.719 1.052 -0.154) 2.021 17.180 ( 1.841 -1.088 0.103) 2.141 19.531 ( 5.574 2.007 0.006) 5.924 19.660 ( 3.316 -3.030 -2.116) 4.965 19.717 ( 6.982 0.738 -0.039) 7.021 19.773 ( 5.640 -1.468 -2.563) 6.367 20.286 ( -9.559 2.418 -0.085) 9.860 20.378 ( -8.067 -1.422 0.806) 8.231 20.629 ( -5.657 0.227 -1.675) 5.904 20.653 ( -5.216 -0.665 0.208) 5.263 21.750 ( 8.985 1.906 3.090) 9.690 21.769 ( 9.530 1.757 0.339) 9.697 21.842 ( 10.220 -1.233 -1.580) 10.414 21.867 ( 10.154 -1.376 0.086) 10.248 22.755 ( -7.253 1.622 -1.908) 7.673 22.848 ( -6.640 -1.806 -2.922) 7.476 22.895 ( -12.703 -0.093 3.531) 13.185 22.983 ( -9.177 -4.489 1.462) 10.320 26.812 ( 14.737 1.569 0.355) 14.825 26.854 ( 17.549 1.662 -0.253) 17.629 26.968 ( 18.701 1.070 0.813) 18.749 27.317 ( 23.241 -16.956 -12.843) 31.505 28.735 ( -23.279 5.946 -0.547) 24.033 28.837 ( -23.283 7.391 -1.584) 24.479 28.981 ( -20.564 -3.212 1.533) 20.870 29.104 ( -18.706 -4.823 0.616) 19.327 30.064 ( 15.984 5.234 0.346) 16.823 30.109 ( 7.565 9.781 -1.500) 12.456 30.300 ( 5.528 -2.352 0.990) 6.088 30.336 ( 6.358 -1.894 1.564) 6.816 30.395 ( 7.517 1.239 -0.119) 7.619 30.438 ( 9.467 -0.966 -0.832) 9.552 30.633 ( 8.906 11.731 -5.915) 15.872 30.970 ( 1.689 -6.937 -4.836) 8.623 31.234 ( -9.283 0.761 -1.701) 9.468 31.312 ( -6.469 1.352 -0.196) 6.612 31.381 ( -10.939 8.721 -7.916) 16.074 31.657 ( -10.622 -1.835 -4.572) 11.709 31.800 ( -0.318 3.558 -0.071) 3.573 31.896 ( -0.097 6.368 -5.933) 8.704 32.083 ( 6.700 -0.154 -1.309) 6.829 32.305 ( 10.909 -0.323 -0.961) 10.956 32.423 ( 9.488 -1.431 -3.882) 10.351 32.440 ( 6.699 -3.313 -5.521) 9.292 32.549 ( 12.755 3.100 -0.494) 13.136 32.783 ( 1.923 -6.063 -13.617) 15.030 33.094 ( -1.866 2.665 2.853) 4.327 33.223 ( -3.828 -3.187 -7.466) 8.975 33.451 ( -5.817 1.953 -6.494) 8.934 33.561 ( -7.014 -2.641 -5.483) 9.286 34.260 ( -3.770 2.016 -5.066) 6.629 34.360 ( -3.898 -2.540 -1.208) 4.807 34.517 ( 3.099 1.804 4.563) 5.803 34.556 ( 3.266 -0.187 1.418) 3.566 34.867 ( 1.737 2.798 -3.926) 5.124 34.980 ( 2.556 -1.753 -1.103) 3.290 35.106 ( 0.969 1.910 0.173) 2.149 35.213 ( 1.214 -2.372 -0.298) 2.681 35.273 ( 1.274 0.008 2.656) 2.946 35.295 ( -0.934 -1.426 3.869) 4.228 35.405 ( -0.879 1.099 3.230) 3.524 35.428 ( -0.643 0.014 2.710) 2.785 36.167 ( 9.224 8.264 27.374) 30.045 36.777 ( -9.103 -20.434 33.932) 40.642 37.491 ( -15.718 11.409 -5.792) 20.267 37.919 ( -17.748 -8.162 -2.605) 19.708 ======================= Grid point 12 (9/69) ======================= q-point: ( 0.33 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.342 ( 14.298 4.769 9.841) 18.001 1.567 ( 14.356 9.768 0.404) 17.369 1.632 ( 7.068 -5.344 5.343) 10.347 1.786 ( -1.255 2.630 -2.190) 3.645 1.867 ( 2.901 0.620 -2.559) 3.918 1.974 ( 0.775 -1.461 -3.505) 3.875 2.012 ( 4.772 -1.214 3.665) 6.138 2.097 ( 3.630 1.874 1.668) 4.412 2.139 ( 2.189 -2.546 2.388) 4.120 2.172 ( 2.220 -3.284 8.518) 9.395 2.261 ( 2.900 -3.781 2.717) 5.485 2.360 ( 9.650 -5.414 1.170) 11.127 2.455 ( 2.372 -0.676 -0.345) 2.490 2.587 ( 1.303 -5.613 1.051) 5.857 2.622 ( 1.995 2.382 -3.476) 4.662 2.678 ( 4.310 0.958 6.348) 7.732 2.751 ( 1.434 1.629 -0.245) 2.184 2.808 ( 1.996 -0.872 -0.992) 2.393 2.904 ( 0.532 0.392 -0.480) 0.817 2.941 ( -0.831 0.445 -1.113) 1.459 2.963 ( 2.723 8.686 0.316) 9.108 2.998 ( -3.767 -1.141 -2.311) 4.565 3.063 ( 2.958 -2.254 -2.660) 4.572 3.113 ( 10.088 2.122 1.155) 10.374 3.205 ( -0.313 3.287 -5.554) 6.462 3.293 ( 2.483 6.151 1.864) 6.891 3.361 ( 4.148 0.221 0.841) 4.238 3.425 ( 2.621 0.806 -0.953) 2.903 3.450 ( -1.997 1.607 0.607) 2.634 3.545 ( 3.436 1.424 -0.558) 3.761 3.674 ( -0.600 -0.139 2.698) 2.768 3.709 ( 1.336 2.197 0.282) 2.587 3.794 ( 5.792 -2.043 -1.477) 6.317 3.870 ( 2.108 -1.328 0.451) 2.533 4.033 ( -0.897 -1.242 -6.267) 6.452 4.077 ( 2.396 1.717 2.548) 3.897 4.124 ( 4.978 -1.840 -2.899) 6.048 4.151 ( -0.307 0.306 3.953) 3.976 4.260 ( 2.017 -2.847 3.404) 4.875 4.275 ( 0.314 -1.202 1.519) 1.962 4.368 ( 0.933 1.899 -2.350) 3.162 4.391 ( -2.220 0.202 1.419) 2.642 4.411 ( 1.393 -0.090 1.630) 2.146 4.435 ( 2.883 -1.690 5.693) 6.601 4.534 ( -2.353 -3.258 -2.819) 4.908 4.573 ( -4.335 -2.231 0.620) 4.914 4.723 ( -3.069 -1.111 -2.917) 4.378 4.738 ( -5.069 3.370 -0.758) 6.134 4.827 ( -0.876 1.877 0.275) 2.089 4.851 ( -0.724 1.807 -7.555) 7.801 4.934 ( -1.241 -1.338 -0.650) 1.937 5.080 ( -7.188 1.682 0.082) 7.382 5.126 ( 0.588 4.833 -2.446) 5.448 5.195 ( 1.814 0.035 -2.165) 2.825 5.243 ( 0.654 3.663 -1.158) 3.897 5.403 ( -5.181 -0.244 -0.585) 5.220 5.422 ( -2.999 -0.797 -1.521) 3.456 5.503 ( 1.736 -7.008 -2.929) 7.791 5.524 ( -2.135 -5.102 -4.384) 7.057 5.580 ( 0.655 -2.066 -4.771) 5.240 5.913 ( 2.829 -0.271 0.589) 2.902 5.960 ( 5.245 -1.233 0.895) 5.461 6.002 ( -0.117 -0.242 3.973) 3.982 6.070 ( 4.296 -1.070 2.418) 5.045 6.089 ( 0.427 1.334 1.104) 1.783 6.201 ( 4.100 -0.828 4.002) 5.789 6.264 ( 2.598 4.549 0.843) 5.306 6.313 ( 4.967 1.774 -0.728) 5.324 6.429 ( 2.807 -3.829 1.878) 5.106 6.570 ( 0.160 -5.498 -1.226) 5.635 6.600 ( -3.066 1.615 -1.498) 3.776 6.678 ( -4.355 -1.195 0.290) 4.526 6.838 ( 3.443 -3.345 -1.596) 5.059 6.869 ( 4.129 -2.777 3.280) 5.959 6.937 ( 2.765 2.977 0.433) 4.086 7.048 ( 1.100 -0.714 -0.917) 1.600 7.650 ( -20.525 2.001 -0.954) 20.644 7.712 ( -15.460 5.629 0.268) 16.455 7.797 ( -17.012 -3.524 -4.343) 17.908 8.010 ( -16.561 -6.679 1.607) 17.929 8.750 ( 0.461 3.517 0.554) 3.590 8.766 ( 2.671 4.592 -1.938) 5.655 8.784 ( -1.182 2.425 2.542) 3.707 8.963 ( 1.065 -1.285 -0.890) 1.891 9.088 ( 1.571 -0.878 0.155) 1.806 9.140 ( 1.959 -1.756 -0.833) 2.760 9.163 ( 3.072 -2.678 0.902) 4.174 9.184 ( 2.100 -3.929 -2.551) 5.134 9.307 ( 1.513 0.344 0.291) 1.578 9.360 ( 1.228 -2.986 1.995) 3.795 9.497 ( 4.037 2.499 -0.078) 4.748 9.541 ( 3.823 -0.578 0.588) 3.911 9.670 ( -5.732 0.299 -0.163) 5.742 9.708 ( -8.205 1.125 -0.305) 8.288 9.803 ( -7.303 0.153 1.882) 7.543 9.862 ( -7.452 -1.266 -0.101) 7.559 9.894 ( -2.543 1.466 4.897) 5.709 10.002 ( -2.849 -0.404 -0.012) 2.878 10.071 ( -5.605 -1.267 -0.943) 5.823 10.134 ( -4.567 -0.731 -1.020) 4.736 10.468 ( -3.865 2.892 -0.821) 4.897 10.542 ( -3.008 3.854 -0.662) 4.934 10.653 ( -4.071 -3.964 0.138) 5.684 10.695 ( -4.258 -2.821 -0.081) 5.108 11.458 ( 5.242 -0.326 -0.269) 5.259 11.486 ( 4.494 -0.349 0.097) 4.509 11.497 ( 6.498 -0.160 0.273) 6.506 11.541 ( 5.866 -0.628 0.650) 5.936 11.766 ( -1.380 1.562 0.440) 2.131 11.781 ( -2.711 0.560 -1.173) 3.007 11.826 ( -1.142 4.614 0.466) 4.776 11.885 ( -3.355 2.083 -0.222) 3.955 11.942 ( 1.000 1.188 1.543) 2.188 12.038 ( 1.866 -3.804 -0.000) 4.237 12.189 ( 2.200 -3.187 0.105) 3.874 12.226 ( 0.089 -3.787 -0.726) 3.857 12.602 ( 3.657 3.381 1.083) 5.097 12.664 ( 2.496 3.701 0.153) 4.466 12.756 ( 0.241 -2.489 0.177) 2.507 12.803 ( -1.384 -2.099 -0.552) 2.574 13.214 ( 5.453 7.591 -0.421) 9.356 13.242 ( 4.870 7.082 0.639) 8.619 13.514 ( -0.139 -4.686 -0.122) 4.689 13.538 ( -1.434 -3.689 0.306) 3.970 13.893 ( 4.109 3.527 -0.640) 5.453 13.931 ( 6.226 4.208 0.770) 7.554 14.046 ( 2.030 -0.392 -0.250) 2.082 14.061 ( 2.785 -1.673 -0.066) 3.249 14.184 ( -2.216 9.047 0.991) 9.367 14.273 ( -0.662 8.929 -0.484) 8.966 14.519 ( -4.376 -0.045 1.805) 4.734 14.522 ( -7.803 -2.551 -1.003) 8.270 14.898 ( 5.931 0.148 0.498) 5.953 14.996 ( 2.129 1.103 -1.169) 2.668 15.113 ( -2.822 -6.442 1.307) 7.153 15.195 ( -1.446 -3.801 0.057) 4.067 15.259 ( 4.769 0.440 0.436) 4.809 15.291 ( 4.677 0.783 0.407) 4.760 15.367 ( 1.455 -3.093 -0.157) 3.422 15.405 ( 5.881 -2.241 -0.550) 6.318 15.719 ( 3.901 1.345 0.229) 4.133 15.741 ( 4.959 1.497 -0.882) 5.255 15.771 ( 8.980 -0.120 0.982) 9.034 15.830 ( 3.856 -3.109 -6.245) 7.971 16.263 ( -1.461 1.558 0.352) 2.164 16.333 ( -2.100 -1.442 -1.205) 2.818 16.368 ( -0.483 0.870 0.669) 1.199 16.418 ( 0.900 -1.341 -1.297) 2.072 17.072 ( 1.444 0.732 0.514) 1.698 17.075 ( 1.367 0.551 0.971) 1.765 17.141 ( 0.996 0.832 -0.623) 1.440 17.200 ( 0.965 -1.306 -0.507) 1.701 19.645 ( 8.807 0.795 0.426) 8.853 19.708 ( 6.376 -1.735 -2.596) 7.099 19.839 ( 8.002 -0.297 -0.055) 8.008 19.847 ( 7.259 -0.507 -1.551) 7.441 20.134 ( -10.444 2.621 1.021) 10.816 20.243 ( -10.317 -1.980 0.807) 10.537 20.506 ( -7.046 1.099 -2.045) 7.419 20.561 ( -6.350 -1.161 -0.553) 6.479 21.907 ( 9.359 2.295 0.346) 9.642 21.938 ( 10.928 2.234 -0.153) 11.155 22.008 ( 11.944 -2.155 -0.080) 12.137 22.048 ( 12.234 -1.703 0.446) 12.360 22.609 ( -8.688 1.872 -1.709) 9.050 22.716 ( -7.327 -1.209 -1.159) 7.516 22.729 ( -12.981 -0.381 2.690) 13.263 22.836 ( -11.173 -3.780 0.685) 11.815 27.076 ( 17.705 3.275 0.804) 18.024 27.134 ( 18.048 4.260 -0.957) 18.569 27.303 ( 21.590 -3.440 3.266) 22.105 27.486 ( 15.947 -9.522 -9.803) 21.002 28.387 ( -20.678 5.904 0.075) 21.505 28.488 ( -19.914 6.397 -0.934) 20.937 28.667 ( -20.817 -4.478 -0.682) 21.305 28.800 ( -19.642 -6.540 0.052) 20.702 30.229 ( 8.141 5.046 0.114) 9.579 30.276 ( 10.040 3.335 1.077) 10.634 30.354 ( 3.189 -0.605 0.357) 3.266 30.407 ( 3.432 -0.329 0.352) 3.465 30.570 ( 10.997 1.170 0.816) 11.090 30.596 ( 9.783 2.564 -1.469) 10.220 30.738 ( 10.828 3.546 -4.082) 12.103 30.923 ( -1.261 -3.996 -3.886) 5.715 31.063 ( -9.541 2.545 -1.669) 10.014 31.147 ( -10.332 5.409 -2.853) 12.007 31.214 ( -8.351 -2.770 1.623) 8.947 31.426 ( -9.125 -2.787 -7.252) 11.984 31.828 ( 2.757 3.681 0.605) 4.638 31.882 ( 2.174 3.952 -0.942) 4.608 32.164 ( 4.143 -5.637 -3.240) 7.710 32.242 ( 0.420 -5.533 -11.849) 13.084 32.532 ( 9.541 1.284 2.020) 9.837 32.587 ( 8.579 -1.120 2.093) 8.902 32.772 ( 14.282 1.345 1.674) 14.442 32.843 ( 11.015 -1.657 -2.389) 11.392 33.105 ( -1.306 1.719 3.420) 4.044 33.144 ( -2.368 0.133 -0.412) 2.407 33.304 ( -6.033 0.996 -3.403) 6.997 33.386 ( -7.752 -2.237 -4.859) 9.418 34.122 ( -5.016 2.747 -6.574) 8.714 34.227 ( -7.077 -1.710 -5.509) 9.130 34.615 ( 3.083 0.337 2.996) 4.312 34.632 ( 2.017 -0.389 4.555) 4.997 34.854 ( 0.911 3.651 -2.181) 4.350 35.002 ( 1.553 -2.138 -0.853) 2.777 35.125 ( 0.876 1.421 0.570) 1.764 35.222 ( 0.637 -3.235 -0.688) 3.368 35.319 ( 0.776 0.009 2.489) 2.608 35.326 ( 0.489 -0.096 2.310) 2.363 35.427 ( -0.148 0.743 2.241) 2.366 35.444 ( -0.187 0.037 1.307) 1.321 36.534 ( 5.761 6.548 17.604) 19.646 36.920 ( -6.031 -9.971 13.110) 17.540 37.208 ( -13.345 8.858 -1.597) 16.097 37.607 ( -17.169 -8.150 -2.910) 19.227 ======================= Grid point 13 (10/69) ======================= q-point: ( 0.44 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.489 ( -0.277 3.361 -2.500) 4.198 1.638 ( 0.334 -2.894 -0.756) 3.010 1.710 ( -0.936 -0.216 -3.217) 3.358 1.826 ( -1.519 -0.730 0.632) 1.800 1.860 ( 5.980 1.771 -0.287) 6.243 1.919 ( 4.482 -1.871 2.918) 5.666 2.057 ( -2.110 7.278 0.358) 7.586 2.106 ( -1.413 -2.743 2.306) 3.852 2.185 ( 1.545 -5.603 1.372) 5.972 2.368 ( 1.516 1.783 4.609) 5.169 2.392 ( 8.300 7.737 0.566) 11.361 2.453 ( 5.121 -1.222 4.137) 6.696 2.528 ( -0.630 -2.720 0.454) 2.829 2.626 ( 2.916 -1.653 -3.329) 4.724 2.697 ( 4.025 -2.171 -6.712) 8.122 2.739 ( 9.123 -2.643 5.209) 10.833 2.779 ( -9.064 1.361 1.482) 9.284 2.824 ( 2.990 -0.237 1.160) 3.216 2.871 ( -3.055 -2.559 3.908) 5.582 2.909 ( 0.871 2.435 0.967) 2.761 2.930 ( -0.577 -3.554 -0.943) 3.722 3.016 ( -1.308 0.852 -1.180) 1.957 3.048 ( 0.546 -1.290 -6.324) 6.477 3.174 ( 4.388 2.699 -4.560) 6.880 3.228 ( 1.402 0.234 3.172) 3.476 3.297 ( -2.059 0.487 -5.858) 6.228 3.393 ( 2.044 5.379 4.070) 7.048 3.421 ( -2.402 2.750 3.219) 4.867 3.477 ( 2.675 -0.098 -2.066) 3.381 3.590 ( 0.165 1.941 1.657) 2.558 3.605 ( 0.349 3.634 -3.489) 5.050 3.701 ( -0.764 1.774 -0.229) 1.945 3.797 ( -0.913 -0.641 -0.009) 1.115 3.943 ( -1.278 -3.814 -1.715) 4.373 4.049 ( 3.342 5.111 1.484) 6.284 4.107 ( 3.662 3.619 1.404) 5.336 4.155 ( 1.275 3.112 -0.186) 3.368 4.184 ( 1.807 -2.805 -0.440) 3.366 4.252 ( -3.556 -0.169 -2.889) 4.584 4.283 ( 0.849 -3.428 0.623) 3.586 4.362 ( 1.695 -4.840 2.654) 5.774 4.409 ( -1.493 -0.761 -1.031) 1.968 4.427 ( -0.550 -2.867 0.125) 2.922 4.496 ( -2.699 -3.581 -1.219) 4.647 4.548 ( 1.838 0.405 1.351) 2.317 4.578 ( 5.068 -2.048 4.446) 7.046 4.659 ( -1.174 -3.894 -1.024) 4.194 4.676 ( -0.108 0.656 -3.417) 3.481 4.751 ( -3.914 6.476 0.208) 7.570 4.895 ( 0.358 4.592 3.761) 5.947 4.914 ( 0.578 0.905 -1.059) 1.508 5.021 ( 0.217 2.068 1.464) 2.543 5.096 ( -1.345 3.821 -2.308) 4.662 5.172 ( -1.329 0.385 -2.430) 2.797 5.226 ( -0.488 9.993 -1.868) 10.178 5.323 ( -2.668 0.987 -0.029) 2.844 5.372 ( -1.651 -2.433 -0.451) 2.975 5.436 ( -0.883 -8.249 -2.574) 8.686 5.492 ( -0.438 -4.305 -1.676) 4.641 5.570 ( 1.006 -4.964 -0.967) 5.157 5.961 ( 1.232 3.381 3.007) 4.689 6.018 ( 0.129 -1.765 -2.070) 2.723 6.045 ( 1.581 0.330 2.259) 2.777 6.095 ( 1.437 0.991 0.015) 1.746 6.176 ( 2.816 -0.914 0.893) 3.092 6.241 ( 0.933 -4.864 1.471) 5.167 6.315 ( 3.002 0.431 -0.932) 3.173 6.383 ( 1.261 -0.653 1.229) 1.878 6.481 ( 0.653 -2.277 -0.113) 2.372 6.527 ( -2.408 -4.892 -0.107) 5.453 6.562 ( -0.377 0.476 -1.197) 1.342 6.607 ( -3.153 -1.653 0.281) 3.571 6.893 ( 5.215 -0.621 -0.732) 5.302 6.991 ( 5.648 -2.703 2.516) 6.748 7.012 ( 3.714 1.966 0.964) 4.312 7.077 ( 2.255 -1.073 -0.521) 2.551 7.380 ( -10.904 1.832 -0.317) 11.061 7.500 ( -11.961 -2.410 -2.235) 12.405 7.546 ( -5.867 7.671 -1.624) 9.793 7.819 ( -8.327 -5.025 0.682) 9.749 8.758 ( 0.577 4.389 -0.335) 4.439 8.785 ( 0.547 3.241 0.404) 3.312 8.799 ( 0.253 0.879 0.745) 1.180 8.959 ( -0.244 -1.889 -0.356) 1.938 9.110 ( 0.777 -0.205 0.106) 0.811 9.151 ( 0.642 -3.747 -0.601) 3.849 9.170 ( -0.034 -1.976 -1.095) 2.260 9.217 ( 2.596 -2.585 -0.162) 3.667 9.303 ( -1.962 2.393 1.087) 3.280 9.400 ( 1.048 -1.684 1.058) 2.248 9.542 ( -3.872 0.486 -0.450) 3.929 9.570 ( 0.706 -0.341 -0.067) 0.787 9.600 ( 3.070 1.001 -0.004) 3.229 9.638 ( -0.771 -0.606 0.420) 1.067 9.733 ( -2.701 -0.725 1.581) 3.212 9.789 ( -3.981 -0.089 0.345) 3.997 9.897 ( -1.309 -1.217 -0.151) 1.794 9.938 ( -4.862 -1.966 -1.133) 5.365 10.004 ( 0.581 3.318 0.139) 3.372 10.127 ( 0.007 -2.466 1.684) 2.986 10.435 ( -0.356 3.072 0.120) 3.095 10.507 ( -0.825 3.706 -0.265) 3.806 10.593 ( -2.704 -3.091 -0.604) 4.151 10.654 ( -1.072 -3.292 0.041) 3.463 11.495 ( 0.788 1.145 -0.177) 1.402 11.534 ( 1.729 0.372 0.440) 1.823 11.573 ( 1.682 -1.941 -0.592) 2.636 11.601 ( 2.568 -2.188 0.146) 3.377 11.737 ( -1.140 1.747 -0.447) 2.133 11.752 ( -0.516 0.852 -0.047) 0.997 11.830 ( -0.933 4.183 0.662) 4.336 11.845 ( -0.378 5.055 -0.164) 5.072 11.980 ( 0.889 0.651 1.422) 1.799 12.055 ( 0.515 -5.605 -0.263) 5.634 12.209 ( 0.374 -3.472 -0.158) 3.495 12.235 ( 1.397 -4.845 -0.347) 5.054 12.656 ( 1.557 2.052 0.571) 2.638 12.701 ( 1.867 2.302 0.673) 3.039 12.754 ( -1.360 -1.767 -0.371) 2.261 12.761 ( -1.528 -0.941 -0.370) 1.832 13.290 ( 3.958 7.410 -0.276) 8.405 13.316 ( 3.147 7.374 0.341) 8.025 13.475 ( -3.015 1.521 -0.043) 3.377 13.514 ( -1.414 1.822 0.278) 2.323 13.957 ( 3.275 2.262 -0.017) 3.980 14.006 ( 2.375 1.900 0.377) 3.065 14.076 ( -1.479 2.306 -0.532) 2.791 14.116 ( 2.965 1.941 0.025) 3.544 14.195 ( 6.081 3.388 0.786) 7.005 14.301 ( 4.297 1.319 -0.726) 4.554 14.367 ( -9.611 -1.092 -0.691) 9.697 14.451 ( -6.136 -2.395 1.473) 6.749 14.968 ( 2.436 -1.884 0.124) 3.082 15.010 ( 2.274 -1.370 -1.026) 2.846 15.056 ( -4.926 -5.627 0.853) 7.527 15.129 ( -3.541 -4.998 0.300) 6.133 15.338 ( 3.805 0.253 -0.020) 3.813 15.372 ( 1.691 -0.772 -0.164) 1.866 15.391 ( 2.107 1.378 0.480) 2.563 15.457 ( 1.036 0.040 0.012) 1.037 15.764 ( 3.200 1.213 -0.696) 3.492 15.825 ( 3.456 0.778 -0.650) 3.601 15.835 ( 1.702 -0.951 -0.962) 2.175 15.889 ( 4.121 -1.009 0.325) 4.255 16.253 ( -0.241 0.111 0.382) 0.465 16.279 ( -2.130 -0.998 -0.690) 2.452 16.356 ( -1.700 1.303 0.711) 2.257 16.410 ( -0.266 -1.006 -0.491) 1.150 17.099 ( 0.989 1.654 0.557) 2.006 17.111 ( 1.294 0.523 0.814) 1.616 17.139 ( -0.116 0.201 -0.628) 0.670 17.200 ( 0.006 -1.622 -0.553) 1.713 19.790 ( 6.761 -0.592 -2.072) 7.096 19.793 ( 7.845 -0.743 0.560) 7.900 19.913 ( 2.546 0.635 -0.849) 2.758 19.962 ( 4.781 -1.064 0.751) 4.955 20.002 ( -7.273 2.483 1.276) 7.791 20.101 ( -7.329 -1.797 0.546) 7.566 20.393 ( -4.053 1.468 -1.115) 4.453 20.465 ( -3.903 -1.517 -0.729) 4.250 22.035 ( 5.707 2.303 0.014) 6.154 22.080 ( 6.407 3.006 -0.118) 7.079 22.165 ( 6.904 -2.988 -0.222) 7.526 22.221 ( 7.909 -2.663 0.115) 8.346 22.473 ( -5.548 2.097 -0.869) 5.995 22.580 ( -7.450 -2.189 1.213) 7.859 22.611 ( -4.588 0.633 -0.040) 4.632 22.681 ( -7.534 -2.062 0.099) 7.812 27.316 ( 10.092 4.239 -0.614) 10.964 27.359 ( 10.168 6.374 0.639) 12.017 27.577 ( 7.413 -6.562 -3.778) 10.597 27.676 ( 15.531 -6.648 3.542) 17.262 28.134 ( -10.424 4.077 0.463) 11.203 28.233 ( -10.083 6.390 -0.309) 11.941 28.347 ( -15.577 -4.256 -2.664) 16.366 28.558 ( -9.568 -7.408 0.031) 12.101 30.331 ( 4.013 2.405 0.189) 4.683 30.374 ( 1.799 0.091 0.358) 1.836 30.425 ( 3.511 1.725 1.096) 4.062 30.459 ( 2.323 0.888 0.166) 2.492 30.692 ( 5.788 4.403 -2.063) 7.560 30.718 ( 6.123 4.390 0.217) 7.538 30.812 ( 0.519 -2.694 -1.576) 3.164 30.865 ( 0.375 0.537 -1.609) 1.737 30.928 ( -5.508 2.677 -1.579) 6.324 31.003 ( -5.277 -1.079 0.713) 5.433 31.136 ( -3.233 -1.086 1.533) 3.739 31.256 ( -4.071 -3.129 -3.643) 6.296 31.873 ( 1.584 3.897 0.423) 4.228 31.919 ( 1.592 2.970 1.395) 3.647 32.079 ( -1.142 -3.386 -6.031) 7.010 32.247 ( 2.438 -8.735 -0.954) 9.119 32.667 ( 4.009 1.100 2.014) 4.619 32.712 ( 3.933 -0.450 1.140) 4.120 32.973 ( 7.021 1.313 -0.502) 7.161 32.991 ( 10.264 0.586 0.014) 10.280 33.120 ( -1.705 0.792 1.014) 2.136 33.124 ( -0.572 0.314 2.148) 2.245 33.190 ( -5.747 0.425 -0.490) 5.783 33.236 ( -5.212 -1.372 -2.372) 5.888 33.997 ( -2.620 2.172 -3.377) 4.794 34.073 ( -4.117 -1.071 -3.647) 5.603 34.670 ( 1.114 0.298 1.159) 1.635 34.698 ( 0.861 -0.889 2.291) 2.604 34.846 ( 0.256 4.022 -0.810) 4.111 35.008 ( 0.404 -2.067 -0.569) 2.182 35.143 ( 0.399 0.723 0.549) 0.992 35.219 ( 0.148 -3.795 -0.617) 3.847 35.348 ( -0.080 1.030 1.449) 1.779 35.353 ( 0.806 0.334 0.441) 0.977 35.448 ( 0.285 0.101 0.927) 0.976 35.452 ( -0.111 0.039 0.513) 0.526 36.728 ( 2.121 4.497 5.985) 7.781 36.881 ( -3.822 2.155 -1.143) 4.534 37.107 ( -3.744 -0.204 4.057) 5.525 37.381 ( -7.320 -7.640 -1.366) 10.669 ======================= Grid point 18 (11/69) ======================= q-point: ( 0.00 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 46 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.844 ( 0.000 -20.147 0.000) 20.147 0.844 ( 0.000 20.147 0.000) 20.147 1.093 ( 0.000 -23.998 0.000) 23.998 1.093 ( 0.000 23.998 0.000) 23.998 1.692 ( 0.000 -4.276 0.000) 4.276 1.692 ( 0.000 4.276 0.000) 4.276 1.836 ( 0.000 -24.698 0.000) 24.698 1.836 ( 0.000 24.698 0.000) 24.698 2.091 ( 0.000 -13.315 0.000) 13.315 2.091 ( 0.000 13.315 0.000) 13.315 2.314 ( 0.000 -3.089 0.000) 3.089 2.314 ( 0.000 3.089 0.000) 3.089 2.384 ( 0.000 -0.083 0.000) 0.083 2.384 ( 0.000 0.083 0.000) 0.083 2.438 ( 0.000 -1.145 0.000) 1.145 2.438 ( 0.000 1.145 0.000) 1.145 2.742 ( 0.000 -0.735 0.000) 0.735 2.742 ( 0.000 0.735 0.000) 0.735 2.879 ( 0.000 -1.285 0.000) 1.285 2.879 ( 0.000 1.285 0.000) 1.285 2.991 ( 0.000 -6.036 0.000) 6.036 2.991 ( 0.000 6.036 0.000) 6.036 3.050 ( 0.000 -7.875 0.000) 7.875 3.050 ( 0.000 7.875 0.000) 7.875 3.171 ( 0.000 -2.205 0.000) 2.205 3.171 ( 0.000 2.205 0.000) 2.205 3.265 ( 0.000 -2.515 0.000) 2.515 3.265 ( 0.000 2.515 0.000) 2.515 3.353 ( 0.000 -5.679 0.000) 5.679 3.353 ( 0.000 5.679 0.000) 5.679 3.512 ( 0.000 -2.460 0.000) 2.460 3.512 ( 0.000 2.460 0.000) 2.460 3.568 ( 0.000 -4.571 0.000) 4.571 3.568 ( 0.000 4.571 0.000) 4.571 3.859 ( 0.000 -3.813 0.000) 3.813 3.859 ( 0.000 3.813 0.000) 3.813 3.990 ( 0.000 -1.357 0.000) 1.357 3.990 ( 0.000 1.357 0.000) 1.357 4.181 ( 0.000 -8.773 0.000) 8.773 4.181 ( 0.000 8.773 0.000) 8.773 4.366 ( 0.000 -4.792 0.000) 4.792 4.366 ( 0.000 4.792 0.000) 4.792 4.436 ( 0.000 -4.366 0.000) 4.366 4.436 ( 0.000 4.366 0.000) 4.366 4.734 ( 0.000 -5.467 0.000) 5.467 4.734 ( 0.000 5.467 0.000) 5.467 4.912 ( 0.000 -1.261 0.000) 1.261 4.912 ( 0.000 1.261 0.000) 1.261 4.969 ( 0.000 -6.205 0.000) 6.205 4.969 ( 0.000 6.205 0.000) 6.205 5.129 ( 0.000 -3.145 0.000) 3.145 5.129 ( 0.000 3.145 0.000) 3.145 5.275 ( 0.000 -3.131 0.000) 3.131 5.275 ( 0.000 3.131 0.000) 3.131 5.335 ( 0.000 -2.145 0.000) 2.145 5.335 ( 0.000 2.145 0.000) 2.145 5.545 ( 0.000 -2.497 0.000) 2.497 5.545 ( 0.000 2.497 0.000) 2.497 5.691 ( 0.000 -4.220 0.000) 4.220 5.691 ( 0.000 4.220 0.000) 4.220 5.828 ( 0.000 -1.533 0.000) 1.533 5.828 ( 0.000 1.533 0.000) 1.533 5.887 ( 0.000 -4.940 0.000) 4.940 5.887 ( 0.000 4.940 0.000) 4.940 6.144 ( 0.000 -1.541 0.000) 1.541 6.144 ( 0.000 1.541 0.000) 1.541 6.248 ( 0.000 -1.686 0.000) 1.686 6.248 ( 0.000 1.686 0.000) 1.686 6.405 ( 0.000 -1.097 0.000) 1.097 6.405 ( 0.000 1.097 0.000) 1.097 6.611 ( 0.000 -5.109 0.000) 5.109 6.611 ( 0.000 5.109 0.000) 5.109 6.843 ( 0.000 -0.766 0.000) 0.766 6.843 ( 0.000 0.766 0.000) 0.766 7.007 ( 0.000 -4.936 0.000) 4.936 7.007 ( 0.000 4.936 0.000) 4.936 8.468 ( 0.000 -0.801 0.000) 0.801 8.468 ( 0.000 0.801 0.000) 0.801 8.512 ( 0.000 -6.182 0.000) 6.182 8.512 ( 0.000 6.182 0.000) 6.182 8.725 ( 0.000 -1.549 0.000) 1.549 8.725 ( 0.000 1.549 0.000) 1.549 8.780 ( 0.000 -6.866 0.000) 6.866 8.780 ( 0.000 6.866 0.000) 6.866 8.932 ( 0.000 -8.145 0.000) 8.145 8.932 ( 0.000 8.145 0.000) 8.145 9.101 ( 0.000 -2.363 0.000) 2.363 9.101 ( 0.000 2.363 0.000) 2.363 9.240 ( 0.000 -4.784 0.000) 4.784 9.240 ( 0.000 4.784 0.000) 4.784 9.332 ( 0.000 -1.060 0.000) 1.060 9.332 ( 0.000 1.060 0.000) 1.060 9.723 ( 0.000 -5.948 0.000) 5.948 9.723 ( 0.000 5.948 0.000) 5.948 10.174 ( 0.000 -1.745 0.000) 1.745 10.174 ( 0.000 1.745 0.000) 1.745 10.266 ( 0.000 -2.685 0.000) 2.685 10.266 ( 0.000 2.685 0.000) 2.685 10.373 ( 0.000 -5.233 0.000) 5.233 10.373 ( 0.000 5.233 0.000) 5.233 10.727 ( 0.000 -2.483 0.000) 2.483 10.727 ( 0.000 2.483 0.000) 2.483 10.861 ( 0.000 -5.070 0.000) 5.070 10.861 ( 0.000 5.070 0.000) 5.070 11.161 ( 0.000 -5.733 0.000) 5.733 11.161 ( 0.000 5.733 0.000) 5.733 11.237 ( 0.000 -7.345 0.000) 7.345 11.237 ( 0.000 7.345 0.000) 7.345 11.809 ( 0.000 -1.945 0.000) 1.945 11.809 ( 0.000 1.945 0.000) 1.945 11.913 ( 0.000 -0.709 0.000) 0.709 11.913 ( 0.000 0.709 0.000) 0.709 12.045 ( 0.000 -0.418 0.000) 0.418 12.045 ( 0.000 0.418 0.000) 0.418 12.271 ( 0.000 -3.862 0.000) 3.862 12.271 ( 0.000 3.862 0.000) 3.862 12.592 ( 0.000 -5.122 0.000) 5.122 12.592 ( 0.000 5.122 0.000) 5.122 12.671 ( 0.000 -5.595 0.000) 5.595 12.671 ( 0.000 5.595 0.000) 5.595 13.128 ( 0.000 -1.603 0.000) 1.603 13.128 ( 0.000 1.603 0.000) 1.603 13.161 ( 0.000 -4.647 0.000) 4.647 13.161 ( 0.000 4.647 0.000) 4.647 14.090 ( 0.000 -1.104 0.000) 1.104 14.090 ( 0.000 1.104 0.000) 1.104 14.227 ( 0.000 -3.994 0.000) 3.994 14.227 ( 0.000 3.994 0.000) 3.994 14.303 ( 0.000 -10.241 0.000) 10.241 14.303 ( 0.000 10.241 0.000) 10.241 14.454 ( 0.000 -1.855 0.000) 1.855 14.454 ( 0.000 1.855 0.000) 1.855 14.609 ( 0.000 -3.773 0.000) 3.773 14.609 ( 0.000 3.773 0.000) 3.773 14.822 ( 0.000 -2.226 0.000) 2.226 14.822 ( 0.000 2.226 0.000) 2.226 15.102 ( 0.000 -12.237 0.000) 12.237 15.102 ( 0.000 12.237 0.000) 12.237 15.559 ( 0.000 -0.566 0.000) 0.566 15.559 ( 0.000 0.566 0.000) 0.566 15.639 ( 0.000 -0.958 0.000) 0.958 15.639 ( 0.000 0.958 0.000) 0.958 15.958 ( 0.000 -4.523 0.000) 4.523 15.958 ( 0.000 4.523 0.000) 4.523 16.225 ( 0.000 -0.341 0.000) 0.341 16.225 ( 0.000 0.341 0.000) 0.341 16.241 ( 0.000 -0.972 0.000) 0.972 16.241 ( 0.000 0.972 0.000) 0.972 17.056 ( 0.000 -0.925 0.000) 0.925 17.056 ( 0.000 0.925 0.000) 0.925 17.112 ( 0.000 -1.368 0.000) 1.368 17.112 ( 0.000 1.368 0.000) 1.368 19.542 ( 0.000 -5.604 0.000) 5.604 19.542 ( 0.000 5.604 0.000) 5.604 19.660 ( 0.000 -3.521 0.000) 3.521 19.660 ( 0.000 3.521 0.000) 3.521 20.489 ( 0.000 -1.076 0.000) 1.076 20.489 ( 0.000 1.076 0.000) 1.076 20.723 ( 0.000 -1.174 0.000) 1.174 20.723 ( 0.000 1.174 0.000) 1.174 21.571 ( 0.000 -0.436 0.000) 0.436 21.571 ( 0.000 0.436 0.000) 0.436 21.687 ( 0.000 -1.056 0.000) 1.056 21.687 ( 0.000 1.056 0.000) 1.056 22.950 ( 0.000 -2.947 0.000) 2.947 22.950 ( 0.000 2.947 0.000) 2.947 23.140 ( 0.000 -1.274 0.000) 1.274 23.140 ( 0.000 1.274 0.000) 1.274 26.572 ( 0.000 -0.270 0.000) 0.270 26.572 ( 0.000 0.270 0.000) 0.270 26.621 ( 0.000 -0.185 0.000) 0.185 26.621 ( 0.000 0.185 0.000) 0.185 29.342 ( 0.000 -1.835 0.000) 1.835 29.342 ( 0.000 1.835 0.000) 1.835 29.500 ( 0.000 -0.935 0.000) 0.935 29.500 ( 0.000 0.935 0.000) 0.935 29.599 ( 0.000 -6.075 0.000) 6.075 29.599 ( 0.000 6.075 0.000) 6.075 30.299 ( 0.000 -0.721 0.000) 0.721 30.299 ( 0.000 0.721 0.000) 0.721 30.319 ( 0.000 -3.611 0.000) 3.611 30.319 ( 0.000 3.611 0.000) 3.611 30.823 ( 0.000 -2.318 0.000) 2.318 30.823 ( 0.000 2.318 0.000) 2.318 31.395 ( 0.000 -0.594 0.000) 0.594 31.395 ( 0.000 0.594 0.000) 0.594 31.888 ( 0.000 -2.236 0.000) 2.236 31.888 ( 0.000 2.236 0.000) 2.236 31.994 ( 0.000 -2.240 0.000) 2.240 31.994 ( 0.000 2.240 0.000) 2.240 32.127 ( 0.000 -0.909 0.000) 0.909 32.127 ( 0.000 0.909 0.000) 0.909 32.148 ( 0.000 -3.946 0.000) 3.946 32.148 ( 0.000 3.946 0.000) 3.946 33.041 ( 0.000 -2.265 0.000) 2.265 33.041 ( 0.000 2.265 0.000) 2.265 33.709 ( 0.000 -2.320 0.000) 2.320 33.709 ( 0.000 2.320 0.000) 2.320 33.961 ( 0.000 -2.147 0.000) 2.147 33.961 ( 0.000 2.147 0.000) 2.147 34.258 ( 0.000 -2.635 0.000) 2.635 34.258 ( 0.000 2.635 0.000) 2.635 34.458 ( 0.000 -1.397 0.000) 1.397 34.458 ( 0.000 1.397 0.000) 1.397 34.931 ( 0.000 -1.516 0.000) 1.516 34.931 ( 0.000 1.516 0.000) 1.516 35.068 ( 0.000 -0.045 0.000) 0.045 35.068 ( 0.000 0.045 0.000) 0.045 35.207 ( 0.000 -0.665 0.000) 0.665 35.207 ( 0.000 0.665 0.000) 0.665 35.301 ( 0.000 -1.847 0.000) 1.847 35.301 ( 0.000 1.847 0.000) 1.847 35.431 ( 0.000 -0.097 0.000) 0.097 35.431 ( 0.000 0.097 0.000) 0.097 38.095 ( 0.000 -9.770 0.000) 9.770 38.095 ( 0.000 9.770 0.000) 9.770 ======================= Grid point 20 (12/69) ======================= q-point: ( 0.11 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 68 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.974 ( 2.317 -17.202 9.209) 19.649 0.974 ( 2.317 17.202 9.209) 19.649 1.213 ( 14.410 -13.759 9.500) 22.073 1.213 ( 14.410 13.759 9.500) 22.073 1.689 ( 0.980 -6.299 1.137) 6.475 1.689 ( 0.980 6.299 1.137) 6.475 1.886 ( 5.580 -18.044 -1.305) 18.932 1.886 ( 5.580 18.044 -1.305) 18.932 2.084 ( -0.247 -14.434 -1.278) 14.493 2.084 ( -0.247 14.434 -1.278) 14.493 2.312 ( 1.138 -6.275 -0.380) 6.389 2.312 ( 1.138 6.275 -0.380) 6.389 2.419 ( 3.078 -6.558 0.847) 7.294 2.419 ( 3.078 6.558 0.847) 7.294 2.555 ( 10.261 -3.184 0.386) 10.751 2.555 ( 10.261 3.184 0.386) 10.751 2.752 ( -1.737 -6.801 1.970) 7.290 2.752 ( -1.737 6.801 1.970) 7.290 2.879 ( 1.822 -1.454 -5.119) 5.625 2.879 ( 1.822 1.454 -5.119) 5.625 2.958 ( -0.919 -5.045 0.184) 5.131 2.958 ( -0.919 5.045 0.184) 5.131 3.082 ( -3.408 -5.219 -2.846) 6.853 3.082 ( -3.408 5.219 -2.846) 6.853 3.122 ( 6.895 -5.530 3.623) 9.552 3.122 ( 6.895 5.530 3.623) 9.552 3.272 ( -0.888 -2.444 0.770) 2.712 3.272 ( -0.888 2.444 0.770) 2.712 3.432 ( 4.475 -5.938 5.436) 9.211 3.432 ( 4.475 5.938 5.436) 9.211 3.557 ( 2.163 -1.687 -3.029) 4.086 3.557 ( 2.163 1.687 -3.029) 4.086 3.593 ( 1.057 -4.726 7.577) 8.992 3.593 ( 1.057 4.726 7.577) 8.992 3.940 ( 3.957 -3.894 6.002) 8.175 3.940 ( 3.957 3.894 6.002) 8.175 4.007 ( 2.976 -3.206 -0.240) 4.381 4.007 ( 2.976 3.206 -0.240) 4.381 4.213 ( 1.669 -6.390 1.343) 6.740 4.213 ( 1.669 6.390 1.343) 6.740 4.346 ( -3.357 -1.010 4.397) 5.623 4.346 ( -3.357 1.010 4.397) 5.623 4.494 ( 4.006 -7.279 -0.036) 8.309 4.494 ( 4.006 7.279 -0.036) 8.309 4.673 ( -5.032 -5.237 -2.869) 7.809 4.673 ( -5.032 5.237 -2.869) 7.809 4.887 ( -0.692 -4.319 -3.989) 5.920 4.887 ( -0.692 4.319 -3.989) 5.920 4.950 ( 0.521 -7.400 -3.861) 8.364 4.950 ( 0.521 7.400 -3.861) 8.364 5.134 ( -0.157 -2.503 0.233) 2.518 5.134 ( -0.157 2.503 0.233) 2.518 5.253 ( -3.024 -2.423 -0.720) 3.941 5.253 ( -3.024 2.423 -0.720) 3.941 5.323 ( 0.555 -0.648 -0.877) 1.224 5.323 ( 0.555 0.648 -0.877) 1.224 5.527 ( -1.070 -2.547 -2.378) 3.645 5.527 ( -1.070 2.547 -2.378) 3.645 5.629 ( -1.914 -2.433 -4.713) 5.639 5.629 ( -1.914 2.433 -4.713) 5.639 5.852 ( 0.114 -5.329 -1.063) 5.436 5.852 ( 0.114 5.329 -1.063) 5.436 5.872 ( 1.902 -1.767 2.091) 3.334 5.872 ( 1.902 1.767 2.091) 3.334 6.133 ( -2.049 -2.558 0.085) 3.278 6.133 ( -2.049 2.558 0.085) 3.278 6.282 ( 4.503 -2.707 -2.380) 5.768 6.282 ( 4.503 2.707 -2.380) 5.768 6.392 ( -1.057 -5.573 0.743) 5.721 6.392 ( -1.057 5.573 0.743) 5.721 6.646 ( 2.030 -4.020 1.886) 4.882 6.646 ( 2.030 4.020 1.886) 4.882 6.808 ( -4.219 -1.478 1.429) 4.693 6.808 ( -4.219 1.478 1.429) 4.693 7.013 ( 0.182 -5.107 0.002) 5.110 7.013 ( 0.182 5.107 0.002) 5.110 8.294 ( -16.806 -1.613 0.424) 16.889 8.294 ( -16.806 1.613 0.424) 16.889 8.388 ( -14.269 -6.116 -1.176) 15.569 8.388 ( -14.269 6.116 -1.176) 15.569 8.757 ( 2.938 -2.977 1.213) 4.355 8.757 ( 2.938 2.977 1.213) 4.355 8.861 ( 4.578 -3.362 -0.582) 5.709 8.861 ( 4.578 3.362 -0.582) 5.709 8.955 ( 4.130 -5.178 -0.569) 6.648 8.955 ( 4.130 5.178 -0.569) 6.648 9.108 ( 2.360 -1.402 -2.183) 3.507 9.108 ( 2.360 1.402 -2.183) 3.507 9.236 ( -0.543 -4.452 1.372) 4.690 9.236 ( -0.543 4.452 1.372) 4.690 9.378 ( 4.571 -2.815 0.367) 5.381 9.378 ( 4.571 2.815 0.367) 5.381 9.735 ( 0.323 -5.247 1.774) 5.548 9.735 ( 0.323 5.247 1.774) 5.548 10.111 ( -7.856 -1.997 0.129) 8.107 10.111 ( -7.856 1.997 0.129) 8.107 10.170 ( -9.156 -3.120 -1.589) 9.803 10.170 ( -9.156 3.120 -1.589) 9.803 10.331 ( -4.874 -1.832 -0.688) 5.253 10.331 ( -4.874 1.832 -0.688) 5.253 10.705 ( -3.379 -2.842 0.525) 4.446 10.705 ( -3.379 2.842 0.525) 4.446 10.801 ( -5.834 -4.737 -1.191) 7.609 10.801 ( -5.834 4.737 -1.191) 7.609 11.220 ( 7.274 -3.251 -0.384) 7.977 11.220 ( 7.274 3.251 -0.384) 7.977 11.292 ( 6.015 -4.370 0.462) 7.449 11.292 ( 6.015 4.370 0.462) 7.449 11.821 ( 0.934 -1.957 0.562) 2.240 11.821 ( 0.934 1.957 0.562) 2.240 11.905 ( 0.120 -1.884 -1.138) 2.204 11.905 ( 0.120 1.884 -1.138) 2.204 12.010 ( -3.639 -1.600 0.835) 4.062 12.010 ( -3.639 1.600 0.835) 4.062 12.252 ( -2.977 -3.847 -0.023) 4.865 12.252 ( -2.977 3.847 -0.023) 4.865 12.601 ( 1.536 -5.501 -0.453) 5.730 12.601 ( 1.536 5.501 -0.453) 5.730 12.698 ( 2.250 -5.459 0.486) 5.925 12.698 ( 2.250 5.459 0.486) 5.925 13.186 ( 5.692 -3.370 0.564) 6.638 13.186 ( 5.692 3.370 0.564) 6.638 13.206 ( 6.195 -3.653 -0.434) 7.205 13.206 ( 6.195 3.653 -0.434) 7.205 14.031 ( -5.880 -0.989 0.075) 5.963 14.031 ( -5.880 0.989 0.075) 5.963 14.152 ( -8.341 -3.460 -0.405) 9.039 14.152 ( -8.341 3.460 -0.405) 9.039 14.312 ( 3.376 -8.812 0.185) 9.438 14.312 ( 3.376 8.812 0.185) 9.438 14.507 ( 3.977 -2.412 0.851) 4.729 14.507 ( 3.977 2.412 0.851) 4.729 14.719 ( 10.551 -6.014 0.138) 12.146 14.719 ( 10.551 6.014 0.138) 12.146 14.911 ( 10.330 -1.311 -0.355) 10.419 14.911 ( 10.330 1.311 -0.355) 10.419 15.151 ( 5.300 -9.351 -0.010) 10.749 15.151 ( 5.300 9.351 -0.010) 10.749 15.503 ( -7.006 -2.110 -0.486) 7.333 15.503 ( -7.006 2.110 -0.486) 7.333 15.596 ( -5.189 -1.418 1.750) 5.657 15.596 ( -5.189 1.418 1.750) 5.657 15.856 ( -2.585 -6.697 -6.162) 9.460 15.856 ( -2.585 6.697 -6.162) 9.460 16.251 ( 3.552 -0.974 0.341) 3.699 16.251 ( 3.552 0.974 0.341) 3.699 16.328 ( 7.550 -4.127 -2.969) 9.102 16.328 ( 7.550 4.127 -2.969) 9.102 17.056 ( -0.254 -0.670 0.346) 0.795 17.056 ( -0.254 0.670 0.346) 0.795 17.125 ( 1.326 -1.471 0.320) 2.006 17.125 ( 1.326 1.471 0.320) 2.006 19.551 ( 1.572 -5.182 -0.363) 5.427 19.551 ( 1.572 5.182 -0.363) 5.427 19.680 ( 3.906 -2.950 -1.728) 5.191 19.680 ( 3.906 2.950 -1.728) 5.191 20.447 ( -5.169 -1.583 -0.048) 5.407 20.447 ( -5.169 1.583 -0.048) 5.407 20.705 ( -2.640 -0.633 0.030) 2.715 20.705 ( -2.640 0.633 0.030) 2.715 21.633 ( 6.408 -1.446 1.921) 6.844 21.633 ( 6.408 1.446 1.921) 6.844 21.726 ( 5.655 -0.893 -1.222) 5.854 21.726 ( 5.655 0.893 -1.222) 5.854 22.909 ( -3.854 -2.882 -1.924) 5.183 22.909 ( -3.854 2.882 -1.924) 5.183 23.058 ( -9.552 -1.075 1.148) 9.681 23.058 ( -9.552 1.075 1.148) 9.681 26.642 ( 9.236 -0.432 -0.120) 9.247 26.642 ( 9.236 0.432 -0.120) 9.247 26.780 ( 18.110 -6.165 -1.028) 19.158 26.780 ( 18.110 6.165 -1.028) 19.158 29.182 ( -20.626 -5.029 0.966) 21.252 29.182 ( -20.626 5.029 0.966) 21.252 29.277 ( -14.341 -3.747 0.446) 14.829 29.277 ( -14.341 3.747 0.446) 14.829 29.883 ( 19.987 -5.522 0.980) 20.759 29.883 ( 19.987 5.522 0.980) 20.759 30.284 ( -0.785 -1.072 -0.723) 1.513 30.284 ( -0.785 1.072 -0.723) 1.513 30.338 ( 3.231 -2.767 -0.603) 4.296 30.338 ( 3.231 2.767 -0.603) 4.296 30.824 ( 2.648 -7.583 -3.242) 8.661 30.824 ( 2.648 7.583 -3.242) 8.661 31.365 ( -4.480 -1.047 0.493) 4.627 31.365 ( -4.480 1.047 0.493) 4.627 31.786 ( -10.039 -3.013 -1.006) 10.530 31.786 ( -10.039 3.013 -1.006) 10.530 31.937 ( -4.305 -3.974 -0.303) 5.867 31.937 ( -4.305 3.974 -0.303) 5.867 32.189 ( 8.464 -1.881 -1.659) 8.828 32.189 ( 8.464 1.881 -1.659) 8.828 32.272 ( 11.292 -2.421 -2.102) 11.738 32.272 ( 11.292 2.421 -2.102) 11.738 32.892 ( -7.903 -11.062 -23.912) 27.507 32.892 ( -7.903 11.062 -23.912) 27.507 33.314 ( -10.438 -13.788 -24.870) 30.292 33.314 ( -10.438 13.788 -24.870) 30.292 33.662 ( -5.124 -2.495 -5.621) 8.004 33.662 ( -5.124 2.495 -5.621) 8.004 34.330 ( 1.287 -0.207 0.699) 1.479 34.330 ( 1.287 0.207 0.699) 1.479 34.495 ( 2.438 -1.517 -0.162) 2.876 34.495 ( 2.438 1.517 -0.162) 2.876 34.925 ( 3.362 -1.856 -4.552) 5.956 34.925 ( 3.362 1.856 -4.552) 5.956 35.135 ( 1.162 -2.631 1.023) 3.053 35.135 ( 1.162 2.631 1.023) 3.053 35.243 ( -0.363 -0.626 3.079) 3.163 35.243 ( -0.363 0.626 3.079) 3.163 35.398 ( -3.492 -0.760 7.646) 8.440 35.398 ( -3.492 0.760 7.646) 8.440 35.859 ( 12.336 -15.781 44.821) 49.093 35.859 ( 12.336 15.781 44.821) 49.093 37.986 ( -10.975 -10.934 -3.212) 15.821 37.986 ( -10.975 10.934 -3.212) 15.821 ======================= Grid point 22 (13/69) ======================= q-point: ( 0.22 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 68 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.155 ( 14.300 -13.848 3.902) 20.285 1.155 ( 14.300 13.848 3.902) 20.285 1.622 ( 13.227 -7.630 15.640) 21.858 1.622 ( 13.227 7.630 15.640) 21.858 1.782 ( 7.684 -5.731 3.179) 10.099 1.782 ( 7.684 5.731 3.179) 10.099 1.955 ( 4.919 -5.636 0.295) 7.487 1.955 ( 4.919 5.636 0.295) 7.487 2.058 ( -0.045 -10.511 -1.653) 10.640 2.058 ( -0.045 10.511 -1.653) 10.640 2.303 ( -2.378 -9.285 -2.982) 10.038 2.303 ( -2.378 9.285 -2.982) 10.038 2.496 ( 2.208 -7.603 3.865) 8.810 2.496 ( 2.208 7.603 3.865) 8.810 2.577 ( 2.186 -5.074 -7.911) 9.649 2.577 ( 2.186 5.074 -7.911) 9.649 2.805 ( 2.641 -8.086 1.280) 8.602 2.805 ( 2.641 8.086 1.280) 8.602 2.866 ( 1.339 -2.909 2.798) 4.252 2.866 ( 1.339 2.909 2.798) 4.252 2.978 ( 1.952 -0.965 -0.717) 2.292 2.978 ( 1.952 0.965 -0.717) 2.292 3.047 ( 3.425 -3.114 -1.516) 4.871 3.047 ( 3.425 3.114 -1.516) 4.871 3.242 ( 4.734 -0.599 -2.507) 5.390 3.242 ( 4.734 0.599 -2.507) 5.390 3.359 ( 7.524 -1.042 4.867) 9.021 3.359 ( 7.524 1.042 4.867) 9.021 3.489 ( -2.498 -4.258 1.297) 5.104 3.489 ( -2.498 4.258 1.297) 5.104 3.620 ( 6.553 -1.158 3.388) 7.468 3.620 ( 6.553 1.158 3.388) 7.468 3.694 ( 4.060 -5.585 3.349) 7.674 3.694 ( 4.060 5.585 3.349) 7.674 4.026 ( 1.504 -3.931 5.211) 6.698 4.026 ( 1.504 3.931 5.211) 6.698 4.126 ( 6.147 -3.988 2.049) 7.608 4.126 ( 6.147 3.988 2.049) 7.608 4.194 ( -1.231 -5.775 -3.894) 7.073 4.194 ( -1.231 5.775 -3.894) 7.073 4.341 ( -3.567 -2.365 2.778) 5.102 4.341 ( -3.567 2.365 2.778) 5.102 4.524 ( -1.713 -7.745 0.989) 7.993 4.524 ( -1.713 7.745 0.989) 7.993 4.563 ( -4.364 -3.995 -1.371) 6.073 4.563 ( -4.364 3.995 -1.371) 6.073 4.831 ( -2.585 -2.763 -1.072) 3.932 4.831 ( -2.585 2.763 -1.072) 3.932 4.874 ( -1.535 -3.249 -6.066) 7.051 4.874 ( -1.535 3.249 -6.066) 7.051 5.087 ( -1.289 -5.393 -7.323) 9.185 5.087 ( -1.289 5.393 -7.323) 9.185 5.228 ( -1.439 -4.962 2.332) 5.669 5.228 ( -1.439 4.962 2.332) 5.669 5.319 ( 2.713 -5.589 -3.381) 7.073 5.319 ( 2.713 5.589 -3.381) 7.073 5.467 ( -3.396 -1.581 -0.957) 3.866 5.467 ( -3.396 1.581 -0.957) 3.866 5.583 ( 1.362 -2.450 -4.793) 5.553 5.583 ( 1.362 2.450 -4.793) 5.553 5.871 ( 2.573 -2.668 -0.563) 3.749 5.871 ( 2.573 2.668 -0.563) 3.749 5.945 ( 2.789 -1.378 4.492) 5.464 5.945 ( 2.789 1.378 4.492) 5.464 6.104 ( -0.033 -1.249 0.173) 1.261 6.104 ( -0.033 1.249 0.173) 1.261 6.304 ( 1.313 -4.834 -0.872) 5.085 6.304 ( 1.313 4.834 -0.872) 5.085 6.414 ( 2.699 -8.056 -0.219) 8.499 6.414 ( 2.699 8.056 -0.219) 8.499 6.677 ( -0.831 -3.104 1.184) 3.424 6.677 ( -0.831 3.104 1.184) 3.424 6.779 ( -0.707 -3.301 0.705) 3.449 6.779 ( -0.707 3.301 0.705) 3.449 7.006 ( -1.028 -4.594 0.368) 4.722 7.006 ( -1.028 4.594 0.368) 4.722 8.012 ( -19.510 -1.944 -0.068) 19.606 8.012 ( -19.510 1.944 -0.068) 19.606 8.125 ( -17.143 -7.061 -1.041) 18.570 8.125 ( -17.143 7.061 -1.041) 18.570 8.791 ( 0.174 -1.277 0.908) 1.577 8.791 ( 0.174 1.277 0.908) 1.577 8.889 ( 1.505 -4.726 -1.471) 5.174 8.889 ( 1.505 4.726 -1.471) 5.174 9.031 ( 5.412 -0.691 -0.526) 5.481 9.031 ( 5.412 0.691 -0.526) 5.481 9.122 ( 2.623 -1.329 -2.465) 3.837 9.122 ( 2.623 1.329 -2.465) 3.837 9.267 ( 1.569 -2.326 2.436) 3.716 9.267 ( 1.569 2.326 2.436) 3.716 9.459 ( 4.883 -0.750 0.367) 4.954 9.459 ( 4.883 0.750 0.367) 4.954 9.760 ( -1.251 -3.591 2.400) 4.496 9.760 ( -1.251 3.591 2.400) 4.496 9.960 ( -10.467 -1.462 -0.173) 10.570 9.960 ( -10.467 1.462 -0.173) 10.570 10.006 ( -9.636 -3.399 0.989) 10.266 10.006 ( -9.636 3.399 0.989) 10.266 10.225 ( -6.669 -1.992 -1.832) 7.197 10.225 ( -6.669 1.992 -1.832) 7.197 10.634 ( -5.506 -4.317 -0.592) 7.022 10.634 ( -5.506 4.317 -0.592) 7.022 10.698 ( -5.696 -4.537 0.040) 7.282 10.698 ( -5.696 4.537 0.040) 7.282 11.348 ( 9.049 -0.477 -0.514) 9.076 11.348 ( 9.049 0.477 -0.514) 9.076 11.409 ( 7.588 -0.731 0.704) 7.656 11.409 ( 7.588 0.731 0.704) 7.656 11.822 ( -2.106 -1.587 0.325) 2.657 11.822 ( -2.106 1.587 0.325) 2.657 11.910 ( 1.893 -4.562 -0.684) 4.986 11.910 ( 1.893 4.562 -0.684) 4.986 11.971 ( -2.917 -1.405 1.407) 3.531 11.971 ( -2.917 1.405 1.407) 3.531 12.193 ( -3.157 -2.940 -0.758) 4.380 12.193 ( -3.157 2.940 -0.758) 4.380 12.631 ( 2.378 -4.919 0.185) 5.467 12.631 ( 2.378 4.919 0.185) 5.467 12.736 ( 2.094 -4.465 -0.030) 4.931 12.736 ( 2.094 4.465 -0.030) 4.931 13.285 ( 6.473 -5.356 0.031) 8.402 13.285 ( 6.473 5.356 0.031) 8.402 13.318 ( 7.438 -6.417 -0.088) 9.824 13.318 ( 7.438 6.417 -0.088) 9.824 13.962 ( -2.285 -2.807 0.362) 3.637 13.962 ( -2.285 2.807 0.362) 3.637 14.038 ( -4.642 -3.865 -0.343) 6.050 14.038 ( -4.642 3.865 -0.343) 6.050 14.378 ( 2.352 -5.355 1.253) 5.981 14.378 ( 2.352 5.355 1.253) 5.981 14.533 ( -1.371 -1.717 0.062) 2.198 14.533 ( -1.371 1.717 0.062) 2.198 14.882 ( 8.223 -6.727 0.772) 10.652 14.882 ( 8.223 6.727 0.772) 10.652 15.065 ( 7.698 -0.964 -0.169) 7.760 15.065 ( 7.698 0.964 -0.169) 7.760 15.222 ( 3.745 -4.144 -0.533) 5.611 15.222 ( 3.745 4.144 -0.533) 5.611 15.355 ( -7.038 -3.794 -0.919) 8.048 15.355 ( -7.038 3.794 -0.919) 8.048 15.622 ( 5.546 -0.371 2.230) 5.989 15.622 ( 5.546 0.371 2.230) 5.989 15.785 ( 1.564 -3.372 -6.108) 7.150 15.785 ( 1.564 3.372 -6.108) 7.150 16.307 ( 1.616 -1.106 0.670) 2.070 16.307 ( 1.616 1.106 0.670) 2.070 16.374 ( 3.364 -2.644 -2.658) 5.037 16.374 ( 3.364 2.644 -2.658) 5.037 17.059 ( 0.254 -0.345 0.502) 0.660 17.059 ( 0.254 0.345 0.502) 0.660 17.152 ( 1.747 -1.727 -0.134) 2.460 17.152 ( 1.747 1.727 -0.134) 2.460 19.588 ( 4.294 -3.858 -0.777) 5.825 19.588 ( 4.294 3.858 -0.777) 5.825 19.742 ( 6.781 -1.651 -2.117) 7.293 19.742 ( 6.781 1.651 -2.117) 7.293 20.338 ( -8.804 -2.669 0.262) 9.203 20.338 ( -8.804 2.669 0.262) 9.203 20.639 ( -5.433 -0.733 -0.547) 5.510 20.639 ( -5.433 0.733 -0.547) 5.510 21.791 ( 10.305 -0.612 2.037) 10.522 21.791 ( 10.305 0.612 2.037) 10.522 21.828 ( 9.544 -1.161 -1.483) 9.728 21.828 ( 9.544 1.161 -1.483) 9.728 22.799 ( -6.821 -2.806 -2.362) 7.744 22.799 ( -6.821 2.806 -2.362) 7.744 22.916 ( -11.318 -2.268 2.538) 11.819 22.916 ( -11.318 2.268 2.538) 11.819 26.849 ( 16.824 -1.850 0.634) 16.937 26.849 ( 16.824 1.850 0.634) 16.937 27.064 ( 20.529 -9.244 -3.719) 22.820 27.064 ( 20.529 9.244 -3.719) 22.820 28.852 ( -22.426 -5.814 0.528) 23.173 28.852 ( -22.426 5.814 0.528) 23.173 29.000 ( -21.225 -5.701 -0.134) 21.978 29.000 ( -21.225 5.701 -0.134) 21.978 30.165 ( 12.904 -3.786 1.587) 13.541 30.165 ( 12.904 3.786 1.587) 13.541 30.292 ( 3.420 -2.209 -0.361) 4.088 30.292 ( 3.420 2.209 -0.361) 4.088 30.418 ( 8.747 -1.147 -0.443) 8.833 30.418 ( 8.747 1.147 -0.443) 8.833 30.833 ( 4.021 -8.323 -4.675) 10.358 30.833 ( 4.021 8.323 -4.675) 10.358 31.269 ( -8.503 -2.736 0.723) 8.962 31.269 ( -8.503 2.736 0.723) 8.962 31.567 ( -12.311 -7.482 -7.172) 16.092 31.567 ( -12.311 7.482 -7.172) 16.092 31.897 ( 0.405 -5.102 -0.909) 5.198 31.897 ( 0.405 5.102 -0.909) 5.198 32.218 ( 2.789 -10.008 -13.210) 16.806 32.218 ( 2.789 10.008 -13.210) 16.806 32.400 ( 10.603 -0.589 -2.013) 10.808 32.400 ( 10.603 0.589 -2.013) 10.808 32.645 ( 8.526 -7.031 -7.099) 13.135 32.645 ( 8.526 7.031 -7.099) 13.135 33.156 ( -2.052 -3.598 -1.030) 4.268 33.156 ( -2.052 3.598 -1.030) 4.268 33.502 ( -6.518 -3.198 -6.267) 9.591 33.502 ( -6.518 3.198 -6.267) 9.591 34.308 ( -3.460 -2.759 -2.476) 5.071 34.308 ( -3.460 2.759 -2.476) 5.071 34.545 ( 2.701 -1.020 2.614) 3.894 34.545 ( 2.701 1.020 2.614) 3.894 34.930 ( 2.145 -3.359 -2.283) 4.593 34.930 ( 2.145 3.359 -2.283) 4.593 35.155 ( 1.236 -3.124 -0.554) 3.405 35.155 ( 1.236 3.124 -0.554) 3.405 35.278 ( 0.427 -0.485 3.121) 3.187 35.278 ( 0.427 0.485 3.121) 3.187 35.423 ( -1.076 -0.628 3.418) 3.638 35.423 ( -1.076 0.628 3.418) 3.638 36.407 ( 3.380 -16.781 32.020) 36.308 36.407 ( 3.380 16.781 32.020) 36.308 37.719 ( -16.628 -12.014 -4.842) 21.078 37.719 ( -16.628 12.014 -4.842) 21.078 ======================= Grid point 24 (14/69) ======================= q-point: ( 0.33 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 68 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.463 ( 13.978 -7.958 6.950) 17.522 1.463 ( 13.978 7.958 6.950) 17.522 1.823 ( 4.127 -7.154 0.563) 8.278 1.823 ( 4.127 7.154 0.563) 8.278 1.867 ( -1.274 -4.492 -9.066) 10.198 1.867 ( -1.274 4.492 -9.066) 10.198 2.018 ( 4.203 -3.662 4.960) 7.461 2.018 ( 4.203 3.662 4.960) 7.461 2.162 ( 0.765 -3.930 5.033) 6.431 2.162 ( 0.765 3.930 5.033) 6.431 2.259 ( 10.274 -5.875 3.408) 12.316 2.259 ( 10.274 5.875 3.408) 12.316 2.479 ( -1.480 -4.126 0.082) 4.384 2.479 ( -1.480 4.126 0.082) 4.384 2.679 ( 7.752 -1.878 2.336) 8.312 2.679 ( 7.752 1.878 2.336) 8.312 2.797 ( -1.787 -4.047 -1.449) 4.656 2.797 ( -1.787 4.047 -1.449) 4.656 2.888 ( -0.338 -5.018 0.520) 5.056 2.888 ( -0.338 5.018 0.520) 5.056 3.011 ( -1.205 -1.873 -2.270) 3.180 3.011 ( -1.205 1.873 -2.270) 3.180 3.112 ( 6.815 -3.336 0.462) 7.602 3.112 ( 6.815 3.336 0.462) 7.602 3.286 ( 3.690 -4.412 -4.056) 7.038 3.286 ( 3.690 4.412 -4.056) 7.038 3.408 ( -1.217 -4.153 1.598) 4.613 3.408 ( -1.217 4.153 1.598) 4.613 3.534 ( 2.408 -4.074 1.348) 4.921 3.534 ( 2.408 4.074 1.348) 4.921 3.725 ( 2.510 -3.770 -0.885) 4.615 3.725 ( 2.510 3.770 -0.885) 4.615 3.781 ( 4.006 -5.910 1.656) 7.329 3.781 ( 4.006 5.910 1.656) 7.329 4.047 ( 2.671 -2.847 -4.721) 6.126 4.047 ( 2.671 2.847 -4.721) 6.126 4.159 ( 0.920 -3.624 3.958) 5.445 4.159 ( 0.920 3.624 3.958) 5.445 4.249 ( 1.866 -6.020 2.974) 6.969 4.249 ( 1.866 6.020 2.974) 6.969 4.343 ( 0.786 -1.552 1.809) 2.510 4.343 ( 0.786 1.552 1.809) 2.510 4.444 ( -4.100 -1.887 0.696) 4.566 4.444 ( -4.100 1.887 0.696) 4.566 4.522 ( -1.463 -2.821 -1.577) 3.547 4.522 ( -1.463 2.821 -1.577) 3.547 4.726 ( -4.092 -2.462 -4.606) 6.635 4.726 ( -4.092 2.462 -4.606) 6.635 4.898 ( 3.046 -2.997 2.967) 5.202 4.898 ( 3.046 2.997 2.967) 5.202 4.963 ( -3.248 -6.383 -4.752) 8.595 4.963 ( -3.248 6.383 -4.752) 8.595 5.250 ( 1.218 -5.461 -0.237) 5.600 5.250 ( 1.218 5.461 -0.237) 5.600 5.307 ( -1.682 -8.991 -1.311) 9.240 5.307 ( -1.682 8.991 -1.311) 9.240 5.413 ( -1.474 -1.872 -1.720) 2.938 5.413 ( -1.474 1.872 -1.720) 2.938 5.512 ( -2.073 -4.404 -5.903) 7.651 5.512 ( -2.073 4.404 -5.903) 7.651 5.930 ( 5.543 -1.647 -0.045) 5.783 5.930 ( 5.543 1.647 -0.045) 5.783 6.022 ( 1.622 -2.615 2.980) 4.284 6.022 ( 1.622 2.615 2.980) 4.284 6.149 ( 0.801 -3.683 3.462) 5.118 6.149 ( 0.801 3.683 3.462) 5.118 6.329 ( 2.301 -2.696 0.787) 3.631 6.329 ( 2.301 2.696 0.787) 3.631 6.443 ( 2.262 -6.471 -1.680) 7.058 6.443 ( 2.262 6.471 -1.680) 7.058 6.642 ( -4.148 -2.270 -0.223) 4.734 6.642 ( -4.148 2.270 -0.223) 4.734 6.812 ( 5.240 -1.494 -0.238) 5.454 6.812 ( 5.240 1.494 -0.238) 5.454 7.009 ( 1.146 -3.458 0.833) 3.737 7.009 ( 1.146 3.458 0.833) 3.737 7.704 ( -18.900 -3.602 -1.303) 19.284 7.704 ( -18.900 3.602 -1.303) 19.284 7.865 ( -14.567 -7.838 -0.361) 16.545 7.865 ( -14.567 7.838 -0.361) 16.545 8.799 ( -0.084 -0.835 0.762) 1.133 8.799 ( -0.084 0.835 0.762) 1.133 8.888 ( 0.720 -6.106 -1.432) 6.313 8.888 ( 0.720 6.106 -1.432) 6.313 9.097 ( 2.894 -2.162 0.015) 3.613 9.097 ( 2.894 2.162 0.015) 3.613 9.133 ( 2.997 -0.889 -2.551) 4.035 9.133 ( 2.997 0.889 -2.551) 4.035 9.321 ( 1.076 -1.173 2.779) 3.202 9.321 ( 1.076 1.173 2.779) 3.202 9.527 ( 3.609 -0.956 0.046) 3.734 9.527 ( 3.609 0.956 0.046) 3.734 9.699 ( -7.851 -1.910 0.287) 8.085 9.699 ( -7.851 1.910 0.287) 8.085 9.823 ( -7.034 -1.780 0.973) 7.321 9.823 ( -7.034 1.780 0.973) 7.321 9.951 ( -2.595 -3.654 3.622) 5.762 9.951 ( -2.595 3.654 3.622) 5.762 10.098 ( -5.465 -2.612 -2.128) 6.420 10.098 ( -5.465 2.612 -2.128) 6.420 10.549 ( -3.644 -4.652 -1.011) 5.996 10.549 ( -3.644 4.652 -1.011) 5.996 10.629 ( -3.863 -3.438 0.332) 5.182 10.629 ( -3.863 3.438 0.332) 5.182 11.466 ( 6.538 -1.006 -0.544) 6.637 11.466 ( 6.538 1.006 -0.544) 6.637 11.517 ( 4.649 -1.491 0.669) 4.928 11.517 ( 4.649 1.491 0.669) 4.928 11.781 ( -2.245 -0.392 -0.521) 2.338 11.781 ( -2.245 0.392 -0.521) 2.338 11.921 ( -1.537 -1.740 1.625) 2.834 11.921 ( -1.537 1.740 1.625) 2.834 11.963 ( 0.904 -2.496 0.045) 2.655 11.963 ( 0.904 2.496 0.045) 2.655 12.159 ( -0.152 -1.492 -0.626) 1.625 12.159 ( -0.152 1.492 -0.626) 1.625 12.672 ( 1.713 -3.265 1.097) 3.847 12.672 ( 1.713 3.265 1.097) 3.847 12.753 ( 0.453 -2.753 -0.679) 2.871 12.753 ( 0.453 2.753 -0.678) 2.871 13.377 ( 5.193 -6.663 -0.056) 8.448 13.377 ( 5.193 6.663 -0.056) 8.448 13.414 ( 4.688 -6.977 0.179) 8.407 13.414 ( 4.688 6.977 0.179) 8.407 13.977 ( 3.539 -3.237 0.016) 4.797 13.977 ( 3.539 3.237 0.016) 4.797 14.018 ( 2.370 -1.698 -0.082) 2.917 14.018 ( 2.370 1.698 -0.082) 2.917 14.370 ( -5.031 -5.955 1.040) 7.865 14.370 ( -5.031 5.955 1.040) 7.865 14.482 ( -5.042 -2.824 0.013) 5.780 14.482 ( -5.042 2.824 0.013) 5.780 14.953 ( 0.800 -5.931 0.384) 5.997 14.953 ( 0.800 5.931 0.384) 5.997 15.086 ( -3.344 -5.661 -0.257) 6.580 15.086 ( -3.344 5.661 -0.257) 6.580 15.284 ( 4.978 -1.713 1.175) 5.394 15.284 ( 4.978 1.713 1.175) 5.394 15.357 ( 5.761 -2.129 -0.812) 6.195 15.357 ( 5.761 2.129 -0.812) 6.195 15.759 ( 6.919 -1.816 1.094) 7.236 15.759 ( 6.919 1.816 1.094) 7.236 15.769 ( 4.747 -2.127 -3.820) 6.454 15.769 ( 4.747 2.127 -3.820) 6.454 16.299 ( -1.986 -2.019 -0.521) 2.880 16.299 ( -1.986 2.019 -0.521) 2.880 16.390 ( 0.339 -1.401 -0.036) 1.442 16.390 ( 0.339 1.401 -0.036) 1.442 17.081 ( 1.482 -0.135 0.954) 1.768 17.081 ( 1.482 0.135 0.954) 1.768 17.168 ( 0.871 -1.844 -0.785) 2.186 17.168 ( 0.871 1.844 -0.785) 2.186 19.671 ( 7.646 -1.855 -1.075) 7.941 19.671 ( 7.646 1.855 -1.075) 7.941 19.839 ( 7.822 -0.286 -1.077) 7.901 19.839 ( 7.822 0.286 -1.077) 7.901 20.192 ( -10.434 -3.150 0.814) 10.930 20.192 ( -10.434 3.150 0.814) 10.930 20.533 ( -6.677 -1.595 -1.208) 6.970 20.533 ( -6.677 1.595 -1.208) 6.970 21.957 ( 10.604 -2.570 -0.999) 10.956 21.957 ( 10.604 2.570 -0.999) 10.956 21.998 ( 11.420 -3.128 1.174) 11.898 21.998 ( 11.420 3.128 1.174) 11.898 22.659 ( -8.395 -3.190 -1.514) 9.107 22.659 ( -8.395 3.190 -1.514) 9.107 22.765 ( -11.042 -3.065 1.871) 11.611 22.765 ( -11.042 3.065 1.871) 11.611 27.155 ( 20.409 -3.845 1.266) 20.806 27.155 ( 20.409 3.845 1.266) 20.806 27.314 ( 17.130 -6.907 -3.556) 18.809 27.314 ( 17.130 6.907 -3.556) 18.809 28.516 ( -21.073 -6.467 0.108) 22.043 28.516 ( -21.073 6.467 0.108) 22.043 28.661 ( -20.829 -6.970 -0.768) 21.978 28.661 ( -20.829 6.970 -0.768) 21.978 30.303 ( 5.520 -1.583 0.759) 5.792 30.303 ( 5.520 1.583 0.759) 5.792 30.372 ( 5.454 -2.627 0.491) 6.073 30.372 ( 5.454 2.627 0.491) 6.073 30.599 ( 12.149 -1.530 1.134) 12.298 30.599 ( 12.149 1.530 1.134) 12.298 30.834 ( 2.748 -5.336 -4.605) 7.565 30.834 ( 2.748 5.336 -4.605) 7.565 31.130 ( -9.703 -3.954 -0.327) 10.483 31.130 ( -9.703 3.954 -0.327) 10.483 31.306 ( -9.256 -8.528 -6.751) 14.282 31.306 ( -9.256 8.528 -6.751) 14.282 31.922 ( 2.896 -2.891 -0.023) 4.092 31.922 ( 2.896 2.891 -0.023) 4.092 32.118 ( 1.582 -4.083 -8.857) 9.880 32.118 ( 1.582 4.083 -8.857) 9.880 32.561 ( 9.203 -1.574 1.887) 9.526 32.561 ( 9.203 1.574 1.887) 9.526 32.806 ( 12.782 -2.073 0.593) 12.962 32.806 ( 12.782 2.073 0.593) 12.962 33.136 ( -1.480 -1.152 1.434) 2.361 33.136 ( -1.480 1.152 1.434) 2.361 33.338 ( -6.796 -2.440 -4.355) 8.432 33.338 ( -6.796 2.440 -4.355) 8.432 34.180 ( -6.030 -3.029 -5.773) 8.881 34.180 ( -6.030 3.029 -5.773) 8.881 34.623 ( 2.334 -0.518 3.567) 4.294 34.623 ( 2.334 0.518 3.567) 4.294 34.937 ( 1.184 -4.450 -1.232) 4.767 34.937 ( 1.184 4.450 -1.232) 4.767 35.163 ( 0.748 -2.598 -0.687) 2.790 35.163 ( 0.748 2.598 -0.687) 2.790 35.322 ( 0.985 -0.248 2.616) 2.806 35.322 ( 0.985 0.248 2.616) 2.806 35.440 ( -0.446 -0.492 1.880) 1.994 35.440 ( -0.446 0.492 1.880) 1.994 36.708 ( 0.878 -11.095 17.526) 20.762 36.708 ( 0.878 11.095 17.526) 20.762 37.410 ( -15.334 -11.515 -4.172) 19.625 37.410 ( -15.334 11.515 -4.172) 19.625 ======================= Grid point 26 (15/69) ======================= q-point: ( 0.44 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 68 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.559 ( -2.613 -4.067 -3.576) 6.013 1.559 ( -2.613 4.067 -3.576) 6.013 1.774 ( -0.327 -4.440 -0.026) 4.452 1.774 ( -0.327 4.440 -0.026) 4.452 1.904 ( 5.797 -1.806 0.456) 6.089 1.904 ( 5.797 1.806 0.456) 6.089 2.082 ( -0.902 -2.065 2.579) 3.425 2.082 ( -0.902 2.065 2.579) 3.425 2.242 ( 2.577 -10.612 2.881) 11.294 2.242 ( 2.577 10.613 2.881) 11.294 2.474 ( 5.385 -2.333 -2.221) 6.275 2.474 ( 5.385 2.333 -2.221) 6.275 2.541 ( 10.148 -6.286 3.972) 12.581 2.541 ( 10.148 6.286 3.972) 12.581 2.723 ( -3.435 -4.806 2.021) 6.244 2.723 ( -3.435 4.806 2.021) 6.244 2.797 ( 0.904 -2.720 -0.238) 2.876 2.797 ( 0.904 2.720 -0.238) 2.876 2.857 ( -5.326 -2.027 1.233) 5.830 2.857 ( -5.326 2.027 1.233) 5.830 2.966 ( 2.092 -3.535 -2.807) 4.976 2.966 ( 2.092 3.535 -2.807) 4.976 3.126 ( -2.940 -5.966 -3.791) 7.655 3.126 ( -2.940 5.966 -3.791) 7.655 3.264 ( 0.923 -2.762 -1.611) 3.328 3.264 ( 0.923 2.762 -1.611) 3.328 3.463 ( 3.145 -1.717 2.478) 4.356 3.463 ( 3.145 1.717 2.478) 4.356 3.545 ( -0.785 -5.378 0.485) 5.457 3.545 ( -0.785 5.378 0.485) 5.457 3.717 ( 0.413 -1.446 -1.811) 2.354 3.717 ( 0.413 1.446 -1.811) 2.354 3.824 ( 0.737 -6.800 -0.595) 6.866 3.824 ( 0.737 6.800 -0.595) 6.866 4.091 ( 3.241 -1.784 0.365) 3.717 4.091 ( 3.241 1.784 0.365) 3.717 4.201 ( 1.385 -4.352 -0.891) 4.654 4.201 ( 1.385 4.352 -0.891) 4.654 4.291 ( -0.858 -1.052 1.417) 1.962 4.291 ( -0.858 1.052 1.417) 1.963 4.315 ( 1.093 -5.183 1.548) 5.518 4.315 ( 1.093 5.183 1.548) 5.518 4.421 ( -4.235 -3.190 -2.136) 5.716 4.421 ( -4.235 3.190 -2.136) 5.716 4.555 ( 3.786 -0.217 3.288) 5.020 4.555 ( 3.786 0.217 3.288) 5.020 4.639 ( -1.265 -1.974 -3.375) 4.109 4.639 ( -1.265 1.974 -3.375) 4.109 4.908 ( 0.160 -4.826 0.823) 4.898 4.908 ( 0.160 4.826 0.823) 4.898 4.969 ( 0.175 -4.286 1.746) 4.631 4.969 ( 0.175 4.286 1.746) 4.631 5.196 ( -2.979 -8.042 -2.513) 8.936 5.196 ( -2.979 8.042 -2.513) 8.936 5.308 ( 0.527 -2.656 1.274) 2.993 5.308 ( 0.527 2.656 1.274) 2.993 5.376 ( -0.733 -5.782 -1.533) 6.027 5.376 ( -0.733 5.782 -1.533) 6.027 5.439 ( -0.603 -8.210 -2.652) 8.649 5.439 ( -0.603 8.210 -2.652) 8.649 6.008 ( 3.071 -1.710 0.274) 3.526 6.008 ( 3.071 1.710 0.274) 3.526 6.074 ( 1.433 -2.997 1.615) 3.694 6.074 ( 1.433 2.997 1.615) 3.694 6.164 ( -0.829 -3.193 0.312) 3.313 6.164 ( -0.829 3.193 0.312) 3.313 6.358 ( -0.362 -2.372 0.671) 2.491 6.358 ( -0.362 2.372 0.671) 2.491 6.458 ( 1.598 -1.390 -0.574) 2.194 6.458 ( 1.598 1.390 -0.574) 2.194 6.574 ( -2.795 -1.177 -0.687) 3.109 6.574 ( -2.795 1.177 -0.687) 3.109 6.922 ( 6.642 -3.478 0.402) 7.509 6.922 ( 6.642 3.478 0.402) 7.509 7.052 ( 2.229 -1.847 0.546) 2.946 7.052 ( 2.229 1.847 0.546) 2.946 7.438 ( -11.310 -3.545 -1.211) 11.914 7.438 ( -11.310 3.545 -1.211) 11.914 7.697 ( -6.159 -7.497 0.055) 9.703 7.697 ( -6.159 7.497 0.055) 9.703 8.807 ( 0.152 -0.628 0.363) 0.742 8.807 ( 0.152 0.628 0.363) 0.742 8.883 ( 0.108 -5.654 -0.566) 5.683 8.883 ( 0.108 5.654 -0.566) 5.683 9.109 ( 0.159 -0.473 -0.511) 0.714 9.109 ( 0.159 0.473 -0.511) 0.714 9.165 ( 2.125 -1.879 -0.704) 2.923 9.165 ( 2.125 1.879 -0.704) 2.923 9.355 ( 0.315 -2.694 1.639) 3.169 9.355 ( 0.315 2.694 1.639) 3.169 9.556 ( -1.810 -0.946 -0.515) 2.107 9.556 ( -1.810 0.946 -0.515) 2.107 9.621 ( 1.077 -1.072 0.426) 1.578 9.621 ( 1.077 1.072 0.426) 1.578 9.756 ( -4.167 -2.568 1.293) 5.063 9.756 ( -4.167 2.568 1.293) 5.063 9.902 ( -3.288 -1.452 -1.313) 3.827 9.902 ( -3.288 1.452 -1.313) 3.827 10.071 ( 0.398 -3.393 1.299) 3.655 10.071 ( 0.398 3.393 1.299) 3.655 10.511 ( -0.468 -4.210 -0.346) 4.250 10.511 ( -0.468 4.210 -0.346) 4.250 10.583 ( -1.962 -3.516 -0.061) 4.027 10.583 ( -1.962 3.516 -0.061) 4.027 11.527 ( 1.772 -1.797 -0.084) 2.526 11.527 ( 1.772 1.797 -0.084) 2.526 11.562 ( 1.240 -1.488 -0.124) 1.941 11.562 ( 1.240 1.488 -0.124) 1.941 11.757 ( -0.377 -0.300 -0.169) 0.510 11.757 ( -0.377 0.300 -0.169) 0.510 11.915 ( -0.822 -3.250 0.887) 3.468 11.915 ( -0.822 3.250 0.887) 3.468 11.977 ( 0.558 -1.937 0.033) 2.016 11.977 ( 0.558 1.937 0.033) 2.016 12.165 ( 0.845 -0.484 -0.200) 0.994 12.165 ( 0.845 0.484 -0.200) 0.994 12.699 ( 0.274 -2.146 0.885) 2.338 12.699 ( 0.274 2.146 0.885) 2.338 12.743 ( -0.186 -0.849 -0.692) 1.111 12.743 ( -0.186 0.849 -0.692) 1.111 13.435 ( 2.146 -5.762 -0.202) 6.152 13.435 ( 2.146 5.762 -0.202) 6.152 13.463 ( 1.401 -6.177 0.335) 6.343 13.463 ( 1.401 6.177 0.335) 6.343 14.049 ( 4.379 -3.451 -0.057) 5.576 14.049 ( 4.379 3.451 -0.057) 5.576 14.083 ( 4.497 -2.626 -0.123) 5.209 14.083 ( 4.497 2.626 -0.123) 5.209 14.283 ( -5.626 -3.619 0.414) 6.702 14.283 ( -5.626 3.619 0.414) 6.702 14.393 ( -4.866 -3.427 -0.046) 5.952 14.393 ( -4.866 3.427 -0.046) 5.952 14.955 ( -0.255 -1.904 0.218) 1.933 14.955 ( -0.255 1.904 0.218) 1.933 15.037 ( -1.963 -3.250 0.028) 3.797 15.037 ( -1.963 3.250 0.028) 3.797 15.349 ( 2.093 -0.983 -0.069) 2.314 15.349 ( 2.093 0.983 -0.069) 2.314 15.435 ( 3.205 -2.084 0.283) 3.833 15.435 ( 3.205 2.084 0.283) 3.833 15.796 ( 2.815 -1.961 -1.342) 3.684 15.796 ( 2.815 1.961 -1.342) 3.684 15.862 ( 3.116 -1.809 0.547) 3.645 15.862 ( 3.116 1.809 0.547) 3.645 16.260 ( -1.566 -0.759 -0.370) 1.779 16.260 ( -1.566 0.759 -0.370) 1.779 16.385 ( -0.713 -1.548 0.273) 1.726 16.385 ( -0.713 1.548 0.273) 1.726 17.118 ( 1.432 -0.169 1.102) 1.815 17.118 ( 1.432 0.169 1.102) 1.815 17.161 ( -0.344 -2.137 -1.014) 2.390 17.161 ( -0.344 2.137 -1.014) 2.390 19.783 ( 6.984 -0.099 -0.959) 7.050 19.783 ( 6.984 0.099 -0.959) 7.050 19.935 ( 3.807 -1.512 0.169) 4.100 19.935 ( 3.807 1.512 0.169) 4.100 20.055 ( -7.020 -2.815 0.822) 7.608 20.055 ( -7.020 2.815 0.822) 7.608 20.429 ( -4.018 -2.086 -0.927) 4.621 20.429 ( -4.018 2.086 -0.927) 4.621 22.094 ( 6.733 -3.470 -0.447) 7.588 22.094 ( 6.733 3.470 -0.447) 7.588 22.155 ( 6.285 -3.798 0.408) 7.354 22.155 ( 6.285 3.798 0.408) 7.354 22.524 ( -6.000 -3.091 -0.490) 6.767 22.524 ( -6.000 3.091 -0.490) 6.767 22.639 ( -5.915 -2.077 0.647) 6.302 22.639 ( -5.915 2.077 0.647) 6.302 27.426 ( 10.731 -6.289 -1.280) 12.504 27.426 ( 10.731 6.289 -1.280) 12.504 27.523 ( 11.201 -7.945 1.100) 13.777 27.523 ( 11.201 7.945 1.100) 13.777 28.235 ( -12.892 -5.900 -0.441) 14.185 28.235 ( -12.892 5.900 -0.441) 14.185 28.393 ( -10.442 -8.947 -0.484) 13.760 28.393 ( -10.442 8.947 -0.484) 13.760 30.376 ( 2.576 -0.957 0.374) 2.773 30.376 ( 2.576 0.957 0.374) 2.773 30.447 ( 2.862 -1.401 0.524) 3.229 30.447 ( 2.862 1.401 0.524) 3.229 30.747 ( 4.144 -2.656 0.172) 4.925 30.747 ( 4.144 2.656 0.172) 4.925 30.841 ( 4.100 -4.095 -1.516) 5.989 30.841 ( 4.100 4.095 -1.516) 5.989 30.976 ( -7.581 -1.971 -1.019) 7.899 30.976 ( -7.581 1.971 -1.019) 7.899 31.163 ( -3.309 -4.624 -1.840) 5.976 31.163 ( -3.309 4.624 -1.840) 5.976 31.969 ( 1.767 -1.938 1.228) 2.895 31.969 ( 1.767 1.938 1.228) 2.895 32.061 ( 0.211 -7.461 -4.019) 8.477 32.061 ( 0.211 7.461 -4.019) 8.477 32.693 ( 4.198 -1.396 1.576) 4.696 32.693 ( 4.198 1.396 1.576) 4.696 32.993 ( 9.088 -0.515 0.346) 9.109 32.993 ( 9.088 0.515 0.346) 9.109 33.128 ( -1.813 -0.111 1.162) 2.156 33.128 ( -1.813 0.111 1.162) 2.156 33.207 ( -5.078 -1.393 -1.430) 5.456 33.207 ( -5.078 1.393 -1.430) 5.456 34.041 ( -3.445 -2.188 -3.484) 5.366 34.041 ( -3.445 2.188 -3.484) 5.366 34.681 ( 0.945 -0.789 1.665) 2.070 34.681 ( 0.945 0.789 1.665) 2.070 34.939 ( 0.305 -4.960 -0.527) 4.998 34.939 ( 0.305 4.960 -0.527) 4.998 35.165 ( 0.262 -1.793 -0.326) 1.841 35.165 ( 0.262 1.793 -0.326) 1.841 35.357 ( 0.548 -0.077 1.104) 1.235 35.357 ( 0.548 0.077 1.104) 1.235 35.451 ( -0.065 -0.128 0.694) 0.708 35.451 ( -0.065 0.128 0.694) 0.708 36.836 ( -0.049 -5.827 4.884) 7.603 36.836 ( -0.049 5.827 4.884) 7.603 37.206 ( -6.132 -9.341 -1.084) 11.226 37.206 ( -6.132 9.341 -1.084) 11.226 ======================= Grid point 45 (16/69) ======================= q-point: ( 0.00 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 69 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.179 ( 4.758 0.000 13.467) 14.282 0.426 ( -1.758 0.000 21.301) 21.374 0.932 ( 5.111 0.000 44.127) 44.422 1.370 ( 1.200 0.000 -12.269) 12.328 1.475 ( 0.585 0.000 16.126) 16.137 1.619 ( 1.570 0.000 10.306) 10.425 1.747 ( -5.809 0.000 -2.893) 6.490 1.922 ( -1.919 0.000 2.711) 3.322 2.037 ( 0.633 0.000 6.960) 6.988 2.169 ( -3.732 0.000 3.875) 5.380 2.174 ( 5.642 0.000 3.572) 6.677 2.379 ( 5.681 0.000 -2.580) 6.239 2.506 ( 0.417 0.000 2.049) 2.091 2.508 ( 1.334 0.000 6.815) 6.944 2.523 ( -4.379 0.000 -5.656) 7.154 2.598 ( -2.146 0.000 -9.441) 9.682 2.732 ( 0.949 0.000 1.209) 1.537 2.784 ( 1.500 0.000 -4.403) 4.652 2.797 ( 9.094 0.000 1.860) 9.282 2.847 ( -0.734 0.000 -4.797) 4.853 2.909 ( -4.258 0.000 -0.949) 4.363 2.948 ( -3.520 0.000 -1.153) 3.704 3.025 ( -1.889 0.000 -2.285) 2.965 3.100 ( 1.685 0.000 10.569) 10.702 3.120 ( -0.333 0.000 -1.214) 1.259 3.209 ( 1.005 0.000 2.183) 2.403 3.221 ( 7.124 0.000 -3.768) 8.059 3.384 ( -4.832 0.000 -5.771) 7.527 3.395 ( -1.965 0.000 -3.447) 3.968 3.479 ( 2.610 0.000 0.152) 2.614 3.499 ( 0.042 0.000 -2.187) 2.187 3.623 ( 3.472 0.000 7.187) 7.982 3.650 ( -7.013 0.000 9.067) 11.463 3.770 ( -0.473 0.000 1.560) 1.631 3.966 ( 3.012 0.000 -0.170) 3.017 4.058 ( -4.156 0.000 6.572) 7.776 4.078 ( 8.439 0.000 0.622) 8.462 4.113 ( -0.293 0.000 8.556) 8.561 4.126 ( -0.273 0.000 0.480) 0.552 4.208 ( 0.366 0.000 4.334) 4.349 4.413 ( 3.302 0.000 -2.230) 3.984 4.431 ( -4.897 0.000 -3.155) 5.825 4.431 ( -1.050 0.000 -5.373) 5.475 4.568 ( -0.929 0.000 1.861) 2.080 4.602 ( -1.860 0.000 -9.020) 9.210 4.662 ( -2.977 0.000 0.587) 3.034 4.692 ( 3.105 0.000 -4.411) 5.394 4.930 ( 2.230 0.000 -1.409) 2.638 4.937 ( -1.511 0.000 -9.522) 9.641 5.039 ( -2.898 0.000 -0.479) 2.938 5.054 ( 1.885 0.000 -3.865) 4.300 5.071 ( -1.498 0.000 -0.908) 1.752 5.227 ( -2.953 0.000 -1.017) 3.123 5.303 ( -2.185 0.000 -6.815) 7.157 5.318 ( 9.625 0.000 -2.450) 9.932 5.399 ( 4.712 0.000 4.208) 6.317 5.421 ( -1.021 0.000 -1.061) 1.473 5.485 ( 2.824 0.000 -4.545) 5.351 5.594 ( 1.981 0.000 0.365) 2.014 5.661 ( 4.033 0.000 -2.081) 4.538 5.722 ( 3.068 0.000 3.747) 4.842 5.874 ( -1.683 0.000 -1.927) 2.559 5.946 ( -2.149 0.000 3.789) 4.356 6.080 ( -7.866 0.000 -1.782) 8.065 6.165 ( 2.814 0.000 -3.089) 4.179 6.187 ( -5.281 0.000 6.313) 8.230 6.269 ( -3.611 0.000 -2.035) 4.145 6.291 ( 3.351 0.000 1.144) 3.541 6.542 ( -0.326 0.000 -1.468) 1.503 6.557 ( 2.362 0.000 -1.212) 2.655 6.625 ( 1.565 0.000 0.840) 1.776 6.679 ( -0.094 0.000 1.117) 1.120 6.755 ( 2.764 0.000 -0.046) 2.764 6.851 ( 1.527 0.000 -1.054) 1.856 7.140 ( -3.614 0.000 4.209) 5.548 7.338 ( -0.186 0.000 -0.959) 0.977 8.357 ( -3.989 0.000 0.007) 3.989 8.433 ( 2.345 0.000 -1.940) 3.043 8.516 ( 6.718 0.000 2.380) 7.127 8.568 ( -5.930 0.000 1.880) 6.221 8.677 ( 3.970 0.000 0.087) 3.971 8.712 ( -3.568 0.000 0.732) 3.642 8.759 ( -1.673 0.000 1.476) 2.231 8.789 ( -2.923 0.000 -4.640) 5.484 8.987 ( -4.495 0.000 -0.321) 4.506 9.007 ( 1.506 0.000 -3.908) 4.188 9.098 ( 4.873 0.000 -2.003) 5.269 9.130 ( 0.295 0.000 0.686) 0.747 9.201 ( -0.620 0.000 -0.700) 0.935 9.204 ( -2.781 0.000 2.096) 3.483 9.395 ( 0.145 0.000 -0.014) 0.145 9.442 ( 2.079 0.000 -0.992) 2.303 9.602 ( -2.792 0.000 3.790) 4.708 9.882 ( 3.266 0.000 0.077) 3.267 10.097 ( 0.690 0.000 -0.770) 1.034 10.110 ( -2.321 0.000 -1.198) 2.612 10.212 ( 3.305 0.000 -0.226) 3.313 10.216 ( -0.395 0.000 -4.823) 4.840 10.314 ( -0.077 0.000 1.491) 1.493 10.473 ( -1.828 0.000 -1.495) 2.361 10.696 ( -2.875 0.000 -0.567) 2.930 10.714 ( 0.106 0.000 -1.515) 1.519 10.839 ( 0.533 0.000 2.244) 2.307 10.956 ( -1.233 0.000 -0.918) 1.537 11.033 ( 0.168 0.000 -0.002) 0.168 11.063 ( 2.134 0.000 -0.574) 2.209 11.318 ( -0.419 0.000 1.532) 1.588 11.405 ( 0.122 0.000 -0.565) 0.578 11.777 ( -3.557 0.000 0.406) 3.580 11.855 ( 4.682 0.000 -2.923) 5.519 11.865 ( -1.973 0.000 2.984) 3.578 11.971 ( -3.030 0.000 1.127) 3.233 11.975 ( -2.334 0.000 -0.744) 2.450 12.064 ( 5.387 0.000 2.362) 5.882 12.069 ( -0.411 0.000 -1.553) 1.606 12.203 ( 0.608 0.000 -0.990) 1.162 12.406 ( -0.878 0.000 -0.180) 0.897 12.423 ( -0.548 0.000 -0.838) 1.001 12.744 ( 1.277 0.000 1.136) 1.709 12.805 ( -0.664 0.000 -0.263) 0.715 13.050 ( -0.530 0.000 0.850) 1.001 13.152 ( 1.111 0.000 -1.776) 2.095 13.198 ( -0.085 0.000 1.030) 1.034 13.259 ( -1.399 0.000 -0.370) 1.447 13.902 ( 0.966 0.000 0.359) 1.031 13.935 ( -0.996 0.000 -0.456) 1.095 14.112 ( -0.293 0.000 -0.299) 0.419 14.114 ( 0.888 0.000 -0.279) 0.931 14.196 ( -2.214 0.000 0.988) 2.425 14.282 ( 0.003 0.000 -0.776) 0.776 14.399 ( 1.602 0.000 0.481) 1.673 14.456 ( 11.652 0.000 -1.298) 11.724 14.606 ( -1.036 0.000 1.894) 2.159 14.651 ( 0.377 0.000 0.115) 0.394 14.776 ( -0.578 0.000 -0.968) 1.128 14.837 ( 1.109 0.000 -2.838) 3.047 14.843 ( 4.879 0.000 2.109) 5.315 14.924 ( -3.423 0.000 0.628) 3.480 15.460 ( -0.628 0.000 3.915) 3.965 15.571 ( -4.006 0.000 -1.395) 4.242 15.613 ( -0.872 0.000 0.515) 1.013 15.629 ( 1.306 0.000 1.145) 1.737 15.675 ( 1.935 0.000 2.080) 2.841 15.998 ( 1.261 0.000 -3.492) 3.713 16.212 ( -0.262 0.000 0.005) 0.262 16.226 ( 0.781 0.000 1.301) 1.518 16.247 ( -3.526 0.000 -1.194) 3.723 16.308 ( -0.842 0.000 -0.192) 0.864 17.030 ( 0.450 0.000 0.060) 0.454 17.054 ( -0.615 0.000 -0.219) 0.653 17.088 ( -0.017 0.000 1.469) 1.469 17.145 ( 0.814 0.000 0.280) 0.861 19.469 ( -2.430 0.000 -0.378) 2.459 19.540 ( 1.029 0.000 -2.602) 2.798 19.716 ( -0.726 0.000 1.691) 1.841 19.751 ( 0.091 0.000 0.718) 0.723 20.474 ( -2.369 0.000 1.443) 2.774 20.523 ( 0.438 0.000 1.065) 1.152 20.701 ( 1.195 0.000 -1.515) 1.929 20.722 ( 1.688 0.000 -1.086) 2.007 21.516 ( 1.148 0.000 1.874) 2.198 21.643 ( 1.274 0.000 -1.676) 2.105 21.717 ( -0.854 0.000 0.128) 0.864 21.725 ( -0.307 0.000 0.407) 0.510 22.926 ( -5.631 0.000 -2.044) 5.990 22.958 ( 2.341 0.000 -4.242) 4.845 23.160 ( -1.918 0.000 2.928) 3.500 23.184 ( -0.012 0.000 1.267) 1.267 26.559 ( -1.367 0.000 -0.573) 1.482 26.562 ( 0.814 0.000 -0.390) 0.902 26.594 ( 1.594 0.000 0.827) 1.796 26.623 ( 1.393 0.000 -0.099) 1.396 29.310 ( -0.863 0.000 1.945) 2.128 29.323 ( 1.676 0.000 0.618) 1.786 29.375 ( 0.294 0.000 -0.902) 0.949 29.456 ( 10.193 0.000 -1.445) 10.295 29.488 ( -10.250 0.000 -0.043) 10.250 29.540 ( -1.533 0.000 -1.136) 1.908 29.881 ( 0.888 0.000 13.222) 13.252 30.250 ( -1.491 0.000 1.893) 2.410 30.299 ( -0.068 0.000 1.769) 1.771 30.313 ( -0.490 0.000 -0.994) 1.108 30.404 ( -0.062 0.000 -1.281) 1.283 30.850 ( -0.634 0.000 -3.785) 3.838 31.264 ( 0.647 0.000 0.853) 1.071 31.379 ( -1.790 0.000 -1.454) 2.306 31.447 ( 2.401 0.000 2.957) 3.809 31.847 ( 3.174 0.000 0.498) 3.212 31.913 ( -1.859 0.000 -1.277) 2.255 31.969 ( -3.332 0.000 2.345) 4.074 31.980 ( 7.765 0.000 -3.254) 8.419 32.110 ( -0.955 0.000 0.144) 0.966 32.119 ( -6.903 0.000 -0.758) 6.945 32.201 ( 0.263 0.000 0.178) 0.318 32.235 ( 3.313 0.000 -0.583) 3.364 32.991 ( -3.053 0.000 -20.877) 21.099 33.096 ( 0.150 0.000 3.809) 3.812 33.412 ( -1.333 0.000 -29.625) 29.655 33.547 ( -0.391 0.000 -8.235) 8.244 33.727 ( -0.027 0.000 -6.281) 6.281 34.225 ( 11.105 0.000 8.255) 13.837 34.252 ( 15.225 0.000 -2.481) 15.426 34.370 ( -3.877 0.000 -1.522) 4.165 34.489 ( -1.711 0.000 3.179) 3.610 34.859 ( -3.175 0.000 1.940) 3.721 35.006 ( -3.507 0.000 2.872) 4.533 35.056 ( 1.453 0.000 -2.650) 3.022 35.171 ( 1.922 0.000 -0.369) 1.957 35.245 ( -0.217 0.000 1.548) 1.563 35.375 ( 3.006 0.000 -0.393) 3.031 35.382 ( 0.031 0.000 2.421) 2.422 35.408 ( -2.958 0.000 1.402) 3.273 35.855 ( -0.816 0.000 42.016) 42.024 37.548 ( 0.458 0.000 -11.470) 11.479 38.096 ( -7.416 0.000 2.470) 7.816 38.312 ( 1.063 0.000 -2.428) 2.650 ======================= Grid point 46 (17/69) ======================= q-point: ( 0.11 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 69 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.745 ( 33.094 0.000 11.576) 35.060 0.799 ( 16.631 0.000 17.185) 23.915 1.384 ( 17.780 0.000 -11.440) 21.142 1.513 ( 3.177 0.000 2.045) 3.778 1.574 ( 8.025 0.000 30.409) 31.450 1.630 ( 2.077 0.000 -2.492) 3.244 1.887 ( -0.893 0.000 -3.130) 3.255 1.937 ( 5.904 0.000 21.914) 22.696 2.125 ( -3.223 0.000 12.152) 12.572 2.199 ( 0.231 0.000 8.847) 8.850 2.267 ( 1.575 0.000 -5.369) 5.595 2.361 ( -7.831 0.000 -8.160) 11.310 2.429 ( 2.702 0.000 -3.677) 4.563 2.462 ( 4.255 0.000 -3.852) 5.740 2.582 ( 1.560 0.000 4.417) 4.685 2.605 ( 3.410 0.000 6.552) 7.386 2.731 ( 2.005 0.000 -5.545) 5.896 2.808 ( -2.475 0.000 -1.733) 3.022 2.814 ( 5.991 0.000 1.435) 6.160 2.835 ( -1.064 0.000 -2.930) 3.117 2.906 ( 10.375 0.000 -3.231) 10.867 2.981 ( 2.390 0.000 -5.028) 5.567 3.056 ( 12.686 0.000 -1.450) 12.768 3.115 ( -3.427 0.000 -0.576) 3.475 3.165 ( 0.734 0.000 -1.845) 1.986 3.176 ( -2.387 0.000 -0.245) 2.400 3.189 ( -9.318 0.000 -7.158) 11.750 3.263 ( -5.913 0.000 9.334) 11.050 3.427 ( 6.893 0.000 1.844) 7.135 3.457 ( 0.760 0.000 -5.139) 5.195 3.546 ( 7.211 0.000 -3.980) 8.236 3.714 ( -7.345 0.000 -3.066) 7.959 3.723 ( -2.195 0.000 13.636) 13.811 3.803 ( 7.646 0.000 7.442) 10.670 3.960 ( 0.752 0.000 1.779) 1.931 4.056 ( -3.710 0.000 -0.676) 3.771 4.082 ( 1.032 0.000 -0.264) 1.065 4.182 ( 2.735 0.000 1.839) 3.296 4.222 ( 2.373 0.000 10.133) 10.407 4.298 ( -3.358 0.000 -10.247) 10.783 4.321 ( -0.067 0.000 3.719) 3.720 4.388 ( -1.037 0.000 -3.160) 3.325 4.419 ( 2.999 0.000 0.506) 3.042 4.477 ( -3.727 0.000 -5.438) 6.593 4.597 ( 2.667 0.000 1.551) 3.085 4.685 ( 0.439 0.000 -3.045) 3.077 4.701 ( 4.104 0.000 2.019) 4.573 4.826 ( -2.762 0.000 -6.372) 6.944 4.897 ( -1.845 0.000 -5.381) 5.689 4.973 ( -2.164 0.000 -2.992) 3.692 5.001 ( -4.973 0.000 -0.875) 5.049 5.043 ( 2.052 0.000 -2.964) 3.605 5.181 ( 0.776 0.000 -1.812) 1.971 5.217 ( 2.264 0.000 -6.491) 6.874 5.344 ( -4.721 0.000 -0.143) 4.723 5.411 ( 3.347 0.000 -1.295) 3.589 5.440 ( 0.750 0.000 -5.949) 5.996 5.521 ( 5.703 0.000 -0.739) 5.750 5.618 ( 0.682 0.000 -0.326) 0.756 5.622 ( -5.323 0.000 -3.044) 6.132 5.861 ( 5.696 0.000 5.517) 7.930 5.862 ( -0.032 0.000 2.080) 2.080 5.951 ( -3.460 0.000 0.854) 3.563 5.981 ( 0.038 0.000 8.041) 8.041 6.080 ( -3.990 0.000 -6.889) 7.962 6.169 ( -0.964 0.000 0.682) 1.181 6.249 ( -2.039 0.000 2.550) 3.266 6.252 ( -6.536 0.000 2.669) 7.060 6.515 ( -1.626 0.000 -0.205) 1.639 6.598 ( 3.760 0.000 -3.138) 4.897 6.642 ( -3.524 0.000 1.086) 3.688 6.650 ( 0.725 0.000 0.877) 1.138 6.806 ( 3.079 0.000 -0.037) 3.080 6.853 ( 0.327 0.000 -1.741) 1.772 7.103 ( -5.741 0.000 1.752) 6.003 7.155 ( -15.826 0.000 9.779) 18.604 8.182 ( -14.995 0.000 -0.402) 15.001 8.282 ( -17.276 0.000 -1.474) 17.339 8.382 ( -16.103 0.000 1.989) 16.226 8.599 ( -8.377 0.000 -1.630) 8.534 8.652 ( -4.722 0.000 -3.098) 5.648 8.672 ( 4.983 0.000 3.829) 6.285 8.764 ( 0.575 0.000 3.648) 3.693 8.842 ( 5.923 0.000 -0.437) 5.939 9.012 ( 8.354 0.000 -2.183) 8.634 9.025 ( 5.063 0.000 -1.679) 5.334 9.112 ( 0.927 0.000 -1.429) 1.704 9.169 ( 3.681 0.000 0.241) 3.689 9.204 ( 0.889 0.000 1.002) 1.339 9.240 ( 3.785 0.000 -1.598) 4.109 9.409 ( 2.268 0.000 0.196) 2.276 9.466 ( 1.078 0.000 0.049) 1.079 9.629 ( 0.425 0.000 4.092) 4.114 9.922 ( 0.086 0.000 1.469) 1.471 10.017 ( -4.811 0.000 -3.994) 6.253 10.059 ( -4.352 0.000 -0.805) 4.426 10.118 ( -6.279 0.000 -2.902) 6.917 10.187 ( -4.986 0.000 -0.480) 5.009 10.307 ( -4.493 0.000 1.808) 4.843 10.336 ( -10.393 0.000 -1.945) 10.573 10.631 ( -5.125 0.000 -0.391) 5.140 10.650 ( -6.104 0.000 -0.787) 6.154 10.839 ( -2.779 0.000 2.768) 3.922 10.877 ( -5.527 0.000 -1.807) 5.815 11.152 ( 11.908 0.000 -0.153) 11.909 11.199 ( 12.611 0.000 -1.454) 12.694 11.348 ( 2.224 0.000 1.342) 2.597 11.410 ( 1.542 0.000 -0.533) 1.632 11.742 ( -0.383 0.000 -0.132) 0.405 11.843 ( -4.084 0.000 2.473) 4.774 11.908 ( 2.608 0.000 -0.782) 2.723 11.943 ( -3.151 0.000 2.169) 3.825 11.947 ( 0.527 0.000 0.032) 0.528 12.009 ( -3.812 0.000 -1.020) 3.946 12.169 ( -2.015 0.000 -3.001) 3.615 12.182 ( 6.154 0.000 1.336) 6.297 12.438 ( 3.107 0.000 -0.335) 3.125 12.440 ( 5.152 0.000 -0.327) 5.162 12.785 ( 2.017 0.000 1.272) 2.384 12.790 ( -0.199 0.000 -0.898) 0.920 13.061 ( 0.735 0.000 0.735) 1.040 13.137 ( -0.218 0.000 -1.404) 1.421 13.346 ( 12.720 0.000 0.138) 12.721 13.449 ( 20.048 0.000 -5.605) 20.817 13.842 ( -8.884 0.000 -0.360) 8.892 13.869 ( -7.441 0.000 0.208) 7.443 14.077 ( -0.381 0.000 0.089) 0.392 14.112 ( 0.607 0.000 -0.215) 0.644 14.146 ( -5.130 0.000 1.673) 5.396 14.213 ( -6.566 0.000 -1.175) 6.670 14.512 ( 8.847 0.000 -0.047) 8.847 14.589 ( -2.184 0.000 1.319) 2.551 14.662 ( 17.282 0.000 -5.004) 17.992 14.682 ( 3.250 0.000 -0.146) 3.253 14.894 ( 13.137 0.000 -0.520) 13.147 14.929 ( 12.408 0.000 -2.031) 12.573 14.970 ( 9.727 0.000 -0.775) 9.758 15.073 ( 18.474 0.000 -3.838) 18.868 15.464 ( -4.935 0.000 3.737) 6.190 15.502 ( -4.317 0.000 -0.537) 4.350 15.578 ( -1.801 0.000 -0.185) 1.811 15.623 ( -0.742 0.000 -1.193) 1.405 15.720 ( -0.872 0.000 4.467) 4.551 15.927 ( -3.458 0.000 -6.200) 7.099 16.244 ( 2.696 0.000 0.785) 2.808 16.269 ( 4.991 0.000 -1.159) 5.124 16.277 ( 3.296 0.000 2.259) 3.996 16.329 ( 4.659 0.000 -3.091) 5.591 17.039 ( 0.516 0.000 0.220) 0.561 17.044 ( -0.077 0.000 -0.453) 0.459 17.104 ( 0.194 0.000 1.188) 1.204 17.166 ( 1.370 0.000 0.035) 1.370 19.462 ( 1.478 0.000 0.680) 1.627 19.559 ( 4.888 0.000 -2.811) 5.639 19.722 ( -0.687 0.000 1.655) 1.792 19.751 ( -0.325 0.000 0.552) 0.640 20.405 ( -7.831 0.000 1.250) 7.930 20.505 ( -4.769 0.000 1.824) 5.106 20.667 ( -2.377 0.000 -2.721) 3.613 20.714 ( -1.603 0.000 -0.684) 1.743 21.609 ( 7.353 0.000 1.602) 7.525 21.671 ( 4.633 0.000 -1.762) 4.957 21.746 ( 4.521 0.000 0.378) 4.537 21.749 ( 4.276 0.000 1.137) 4.425 22.829 ( -5.817 0.000 -0.987) 5.900 22.915 ( -2.518 0.000 -2.688) 3.683 23.102 ( -8.959 0.000 2.589) 9.326 23.155 ( -5.289 0.000 1.091) 5.400 26.617 ( 9.282 0.000 -0.356) 9.288 26.628 ( 8.101 0.000 0.148) 8.102 26.724 ( 13.524 0.000 1.459) 13.603 26.908 ( 29.719 0.000 -14.497) 33.066 28.994 ( -23.039 0.000 0.434) 23.043 29.070 ( -21.419 0.000 -0.860) 21.436 29.346 ( -17.888 0.000 2.179) 18.021 29.382 ( -10.317 0.000 0.931) 10.359 29.677 ( 19.046 0.000 1.400) 19.097 29.724 ( 20.061 0.000 -1.455) 20.113 30.193 ( 14.015 0.000 11.830) 18.340 30.296 ( 4.062 0.000 2.387) 4.711 30.313 ( 2.402 0.000 -3.837) 4.527 30.335 ( 2.575 0.000 1.881) 3.188 30.394 ( 1.367 0.000 -2.189) 2.580 30.879 ( 8.399 0.000 -8.093) 11.663 31.267 ( -2.646 0.000 3.168) 4.128 31.310 ( -4.686 0.000 -2.857) 5.489 31.480 ( -4.593 0.000 3.550) 5.805 31.776 ( -9.875 0.000 -4.599) 10.894 31.823 ( -3.898 0.000 1.433) 4.153 31.873 ( -8.037 0.000 -1.451) 8.167 32.057 ( 4.213 0.000 3.538) 5.501 32.125 ( 8.514 0.000 1.712) 8.684 32.209 ( 11.878 0.000 -7.038) 13.806 32.324 ( 11.793 0.000 0.411) 11.800 32.333 ( 8.088 0.000 -1.859) 8.299 32.631 ( 2.033 0.000 -28.049) 28.122 33.131 ( -1.200 0.000 3.658) 3.850 33.216 ( -1.147 0.000 -6.611) 6.710 33.444 ( -2.906 0.000 -4.299) 5.189 33.619 ( -3.864 0.000 -7.318) 8.275 34.262 ( -5.470 0.000 -4.575) 7.131 34.411 ( 9.548 0.000 0.027) 9.548 34.451 ( -4.704 0.000 -1.850) 5.055 34.464 ( 8.706 0.000 4.834) 9.958 34.837 ( -2.462 0.000 1.775) 3.036 35.007 ( -1.371 0.000 3.417) 3.682 35.059 ( 2.205 0.000 -1.692) 2.780 35.197 ( 2.632 0.000 -1.575) 3.068 35.272 ( 0.922 0.000 2.207) 2.392 35.384 ( -1.052 0.000 0.141) 1.062 35.399 ( 1.158 0.000 -0.768) 1.390 35.411 ( -0.151 0.000 2.729) 2.733 36.299 ( 0.656 0.000 35.552) 35.558 37.351 ( -5.211 0.000 -16.290) 17.103 37.804 ( -31.667 0.000 17.934) 36.393 38.207 ( -10.549 0.000 -3.210) 11.026 ======================= Grid point 47 (18/69) ======================= q-point: ( 0.22 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 69 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.195 ( 10.138 0.000 12.335) 15.966 1.331 ( 19.531 0.000 14.794) 24.502 1.559 ( 10.142 0.000 -7.219) 12.448 1.594 ( 7.837 0.000 0.125) 7.838 1.613 ( 24.289 0.000 -11.055) 26.686 1.872 ( 6.946 0.000 -5.082) 8.607 2.059 ( 6.271 0.000 15.632) 16.843 2.060 ( -6.767 0.000 -11.505) 13.347 2.204 ( 0.602 0.000 13.576) 13.589 2.217 ( -0.581 0.000 -9.323) 9.341 2.257 ( 6.662 0.000 13.455) 15.014 2.323 ( -0.051 0.000 10.546) 10.546 2.471 ( 3.481 0.000 -1.609) 3.835 2.517 ( 5.681 0.000 -5.954) 8.229 2.585 ( -5.270 0.000 -8.698) 10.170 2.682 ( 6.324 0.000 5.091) 8.119 2.790 ( -3.973 0.000 -4.943) 6.342 2.812 ( 1.571 0.000 3.507) 3.843 2.820 ( -3.503 0.000 -4.204) 5.472 2.870 ( 5.568 0.000 3.063) 6.355 2.873 ( 0.940 0.000 -1.125) 1.466 2.940 ( 1.400 0.000 -1.281) 1.897 3.006 ( 3.176 0.000 -1.237) 3.408 3.091 ( -1.001 0.000 -4.406) 4.518 3.137 ( 3.197 0.000 0.100) 3.199 3.178 ( 4.032 0.000 -1.746) 4.394 3.328 ( 7.872 0.000 2.166) 8.164 3.362 ( 2.971 0.000 13.402) 13.728 3.391 ( -0.437 0.000 -8.171) 8.183 3.540 ( 1.987 0.000 0.942) 2.199 3.594 ( 2.973 0.000 -1.264) 3.231 3.601 ( 7.566 0.000 -6.044) 9.684 3.776 ( -3.733 0.000 4.376) 5.752 3.893 ( -5.498 0.000 -8.621) 10.225 3.997 ( 6.556 0.000 4.892) 8.180 4.044 ( 1.427 0.000 -1.596) 2.141 4.087 ( 0.718 0.000 -3.517) 3.590 4.212 ( -2.260 0.000 3.750) 4.378 4.227 ( 4.390 0.000 -7.227) 8.456 4.302 ( 1.484 0.000 1.372) 2.021 4.348 ( -3.560 0.000 -0.341) 3.577 4.367 ( -0.157 0.000 3.733) 3.736 4.397 ( 3.981 0.000 7.640) 8.615 4.513 ( -0.552 0.000 5.373) 5.401 4.621 ( -1.109 0.000 1.248) 1.670 4.622 ( -3.864 0.000 -3.746) 5.382 4.733 ( -1.615 0.000 -1.279) 2.060 4.738 ( 0.267 0.000 -4.073) 4.081 4.772 ( -3.259 0.000 -2.954) 4.398 4.908 ( -3.506 0.000 -1.184) 3.700 5.000 ( 1.931 0.000 1.920) 2.723 5.044 ( -0.275 0.000 -0.566) 0.629 5.123 ( -8.589 0.000 -1.583) 8.734 5.212 ( 2.833 0.000 -0.822) 2.950 5.271 ( -6.117 0.000 1.449) 6.286 5.372 ( 2.508 0.000 -7.704) 8.102 5.452 ( 4.475 0.000 -4.258) 6.177 5.506 ( -5.069 0.000 1.298) 5.232 5.538 ( 0.033 0.000 -4.446) 4.446 5.605 ( -2.153 0.000 -2.561) 3.346 5.905 ( 5.602 0.000 -1.952) 5.933 5.946 ( 2.562 0.000 1.429) 2.934 5.994 ( 3.251 0.000 4.330) 5.414 6.007 ( -0.444 0.000 2.273) 2.316 6.146 ( -1.496 0.000 -1.760) 2.309 6.148 ( 4.511 0.000 5.526) 7.133 6.215 ( -1.871 0.000 7.771) 7.993 6.235 ( -0.035 0.000 -0.447) 0.448 6.505 ( -0.443 0.000 2.103) 2.149 6.575 ( -0.497 0.000 -4.052) 4.083 6.626 ( 0.332 0.000 -0.705) 0.779 6.682 ( 2.282 0.000 0.591) 2.358 6.827 ( 0.796 0.000 -1.954) 2.109 6.847 ( 2.365 0.000 -2.033) 3.119 7.017 ( -3.696 0.000 -2.465) 4.442 7.061 ( -9.705 0.000 7.575) 12.312 7.912 ( -18.459 0.000 -0.581) 18.468 7.958 ( -21.409 0.000 -1.134) 21.439 8.126 ( -20.031 0.000 1.066) 20.060 8.370 ( -16.790 0.000 -0.224) 16.792 8.626 ( 2.880 0.000 -3.053) 4.197 8.736 ( 0.337 0.000 1.003) 1.058 8.804 ( -1.087 0.000 4.499) 4.629 8.912 ( 3.968 0.000 -0.408) 3.989 9.094 ( 3.513 0.000 0.689) 3.580 9.120 ( 2.360 0.000 -0.376) 2.390 9.140 ( 7.916 0.000 -0.853) 7.962 9.209 ( -0.252 0.000 2.590) 2.603 9.255 ( 2.491 0.000 -3.148) 4.015 9.284 ( 8.898 0.000 -0.644) 8.921 9.461 ( -1.808 0.000 0.237) 1.823 9.480 ( 5.283 0.000 1.094) 5.395 9.677 ( 0.932 0.000 1.256) 1.564 9.858 ( -10.514 0.000 1.066) 10.568 9.918 ( -3.865 0.000 -3.573) 5.263 9.975 ( -5.636 0.000 -3.650) 6.715 9.981 ( -5.114 0.000 2.087) 5.523 10.059 ( -10.697 0.000 -0.293) 10.701 10.207 ( -4.794 0.000 2.336) 5.333 10.212 ( -8.473 0.000 -0.422) 8.483 10.537 ( -7.133 0.000 0.065) 7.133 10.543 ( -5.010 0.000 -0.326) 5.020 10.777 ( -4.659 0.000 -1.305) 4.838 10.797 ( -6.290 0.000 1.409) 6.446 11.342 ( 11.768 0.000 0.015) 11.768 11.384 ( 11.582 0.000 -0.469) 11.591 11.423 ( 5.342 0.000 1.295) 5.497 11.441 ( 3.026 0.000 -0.145) 3.030 11.748 ( 0.641 0.000 0.200) 0.671 11.808 ( -3.961 0.000 2.660) 4.771 11.866 ( -5.318 0.000 -0.732) 5.368 11.929 ( -4.258 0.000 -0.395) 4.277 11.935 ( -0.897 0.000 2.660) 2.807 12.015 ( 4.618 0.000 -0.773) 4.683 12.141 ( 4.219 0.000 -2.448) 4.877 12.251 ( 1.981 0.000 -0.860) 2.159 12.505 ( 4.790 0.000 1.169) 4.931 12.532 ( 6.084 0.000 0.099) 6.085 12.780 ( 0.302 0.000 -0.998) 1.043 12.824 ( 1.343 0.000 0.293) 1.375 13.087 ( 1.924 0.000 0.318) 1.950 13.133 ( 1.611 0.000 -0.687) 1.751 13.610 ( 15.141 0.000 2.943) 15.425 13.660 ( 11.977 0.000 -2.454) 12.226 13.701 ( -6.341 0.000 0.070) 6.342 13.722 ( -7.081 0.000 -0.777) 7.124 14.074 ( -2.328 0.000 0.809) 2.465 14.091 ( -4.761 0.000 -0.587) 4.797 14.122 ( -1.457 0.000 -0.774) 1.650 14.130 ( 2.255 0.000 0.482) 2.306 14.571 ( -1.951 0.000 1.270) 2.328 14.587 ( 0.475 0.000 -1.430) 1.507 14.767 ( 9.160 0.000 -0.124) 9.161 14.854 ( 12.457 0.000 -3.154) 12.850 15.090 ( 9.615 0.000 0.020) 9.615 15.108 ( 12.616 0.000 0.935) 12.651 15.179 ( 13.705 0.000 -0.580) 13.717 15.244 ( 6.887 0.000 -0.600) 6.913 15.389 ( -5.323 0.000 0.947) 5.407 15.430 ( -3.885 0.000 -0.454) 3.912 15.620 ( 5.304 0.000 -4.294) 6.824 15.628 ( 7.014 0.000 1.444) 7.161 15.746 ( -2.026 0.000 4.719) 5.135 15.783 ( -3.862 0.000 -7.233) 8.199 16.277 ( -0.339 0.000 1.830) 1.862 16.320 ( 2.611 0.000 -1.862) 3.208 16.366 ( 3.093 0.000 2.983) 4.297 16.366 ( 4.237 0.000 -2.590) 4.966 17.044 ( 0.822 0.000 -0.467) 0.946 17.056 ( 1.151 0.000 0.781) 1.390 17.120 ( 0.646 0.000 0.619) 0.894 17.183 ( 1.568 0.000 -1.045) 1.885 19.530 ( 5.828 0.000 1.390) 5.991 19.605 ( 5.102 0.000 -3.657) 6.278 19.760 ( 4.098 0.000 2.076) 4.594 19.770 ( 2.726 0.000 -0.097) 2.728 20.283 ( -9.935 0.000 2.164) 10.168 20.422 ( -8.472 0.000 1.833) 8.668 20.571 ( -5.636 0.000 -3.041) 6.404 20.656 ( -4.751 0.000 -0.715) 4.805 21.747 ( 9.657 0.000 -0.908) 9.700 21.752 ( 8.050 0.000 -1.030) 8.116 21.868 ( 9.557 0.000 1.395) 9.659 21.878 ( 10.407 0.000 0.720) 10.431 22.709 ( -8.128 0.000 -1.234) 8.221 22.832 ( -5.955 0.000 -0.433) 5.971 22.961 ( -12.276 0.000 2.213) 12.474 23.046 ( -9.661 0.000 0.193) 9.662 26.812 ( 14.502 0.000 1.031) 14.538 26.812 ( 15.688 0.000 -0.736) 15.705 27.042 ( 22.196 0.000 5.861) 22.957 27.154 ( 23.548 0.000 -13.491) 27.139 28.652 ( -21.998 0.000 0.964) 22.019 28.722 ( -21.605 0.000 -1.399) 21.650 29.060 ( -22.317 0.000 2.074) 22.413 29.160 ( -17.843 0.000 -0.660) 17.855 29.966 ( 16.019 0.000 1.541) 16.093 30.003 ( 17.248 0.000 -0.468) 17.254 30.319 ( 3.781 0.000 -2.843) 4.731 30.363 ( 2.393 0.000 1.847) 3.023 30.406 ( 4.410 0.000 -3.162) 5.426 30.423 ( 8.554 0.000 1.276) 8.649 30.549 ( 11.993 0.000 10.228) 15.762 30.893 ( 5.018 0.000 -7.693) 9.185 31.166 ( -9.146 0.000 -3.140) 9.670 31.238 ( -7.252 0.000 4.211) 8.386 31.404 ( -8.604 0.000 3.307) 9.217 31.529 ( -10.908 0.000 -8.648) 13.920 31.796 ( -0.210 0.000 0.086) 0.227 31.804 ( 0.356 0.000 -0.532) 0.640 32.146 ( 1.248 0.000 -14.481) 14.534 32.172 ( 4.938 0.000 5.544) 7.424 32.366 ( 13.768 0.000 5.330) 14.763 32.458 ( 10.752 0.000 -0.654) 10.771 32.540 ( 14.755 0.000 1.120) 14.798 32.620 ( 13.968 0.000 -6.315) 15.329 33.139 ( -1.416 0.000 1.804) 2.293 33.162 ( -1.253 0.000 -1.140) 1.694 33.375 ( -4.764 0.000 2.241) 5.265 33.462 ( -5.756 0.000 -6.703) 8.835 34.112 ( -5.755 0.000 -5.894) 8.238 34.305 ( -7.471 0.000 -6.589) 9.961 34.539 ( 6.911 0.000 0.111) 6.911 34.616 ( 5.195 0.000 3.191) 6.097 34.825 ( -1.908 0.000 2.261) 2.958 35.028 ( -0.801 0.000 3.023) 3.128 35.084 ( 2.732 0.000 -0.954) 2.894 35.219 ( 2.813 0.000 -1.945) 3.420 35.313 ( 1.331 0.000 1.691) 2.152 35.365 ( -1.801 0.000 0.320) 1.829 35.406 ( 2.217 0.000 -2.772) 3.550 35.437 ( -0.045 0.000 2.148) 2.149 36.634 ( -1.691 0.000 25.664) 25.720 37.060 ( -6.434 0.000 -18.107) 19.216 37.575 ( -24.586 0.000 17.445) 30.146 37.928 ( -17.833 0.000 -6.258) 18.899 ======================= Grid point 48 (19/69) ======================= q-point: ( 0.33 0.00 -0.80) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 69 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.364 ( 6.050 0.000 -0.483) 6.069 1.572 ( 8.693 0.000 -10.544) 13.665 1.640 ( 7.768 0.000 10.785) 13.291 1.754 ( 7.037 0.000 -5.098) 8.689 1.811 ( -1.203 0.000 -10.033) 10.105 1.928 ( 12.476 0.000 10.881) 16.554 2.024 ( -3.375 0.000 -1.674) 3.768 2.171 ( 4.332 0.000 -6.168) 7.537 2.230 ( -0.473 0.000 7.412) 7.427 2.250 ( 1.014 0.000 -3.296) 3.448 2.347 ( -1.678 0.000 3.064) 3.493 2.362 ( 10.941 0.000 -6.468) 12.709 2.528 ( 4.676 0.000 0.601) 4.714 2.539 ( 2.402 0.000 -6.229) 6.676 2.581 ( 12.934 0.000 4.613) 13.732 2.701 ( 1.894 0.000 -4.330) 4.726 2.775 ( 4.607 0.000 -2.526) 5.255 2.790 ( -1.139 0.000 -0.834) 1.411 2.819 ( -2.691 0.000 -5.032) 5.706 2.907 ( -1.977 0.000 1.378) 2.410 2.969 ( 8.171 0.000 9.301) 12.380 2.995 ( -2.212 0.000 2.047) 3.014 3.043 ( 3.880 0.000 0.264) 3.889 3.069 ( 0.460 0.000 1.610) 1.674 3.212 ( 2.966 0.000 3.202) 4.365 3.252 ( -1.679 0.000 -7.554) 7.739 3.318 ( 10.808 0.000 5.215) 12.000 3.372 ( 2.484 0.000 -0.848) 2.625 3.479 ( -5.110 0.000 -3.277) 6.071 3.556 ( 1.586 0.000 8.105) 8.259 3.623 ( 4.578 0.000 -6.141) 7.660 3.662 ( -5.292 0.000 -4.721) 7.092 3.789 ( 1.737 0.000 -0.374) 1.777 3.882 ( 12.944 0.000 4.483) 13.698 3.981 ( 1.246 0.000 -7.505) 7.608 3.984 ( 0.678 0.000 -9.106) 9.131 4.091 ( -1.997 0.000 0.627) 2.093 4.198 ( 3.850 0.000 1.076) 3.997 4.249 ( -0.079 0.000 -0.992) 0.995 4.335 ( 0.971 0.000 -2.068) 2.284 4.395 ( 2.081 0.000 -0.811) 2.233 4.441 ( -0.154 0.000 9.320) 9.321 4.481 ( 0.658 0.000 2.988) 3.060 4.489 ( -3.785 0.000 1.543) 4.088 4.523 ( -2.107 0.000 -2.935) 3.613 4.639 ( -1.187 0.000 0.794) 1.428 4.721 ( -0.547 0.000 4.837) 4.867 4.740 ( 0.326 0.000 1.512) 1.546 4.747 ( -3.676 0.000 2.382) 4.380 4.850 ( -1.774 0.000 2.538) 3.097 4.994 ( -5.923 0.000 -0.459) 5.940 5.003 ( -3.587 0.000 -1.504) 3.890 5.049 ( 0.581 0.000 3.594) 3.641 5.175 ( -6.524 0.000 0.685) 6.560 5.186 ( -1.072 0.000 -2.534) 2.752 5.388 ( 1.883 0.000 -2.693) 3.286 5.390 ( -5.655 0.000 0.608) 5.688 5.465 ( 2.145 0.000 -4.642) 5.114 5.533 ( -1.100 0.000 -3.237) 3.419 5.551 ( 4.983 0.000 -0.034) 4.983 5.950 ( -0.148 0.000 0.962) 0.974 6.015 ( 2.818 0.000 1.060) 3.010 6.070 ( -0.530 0.000 -1.440) 1.535 6.089 ( 3.308 0.000 3.776) 5.020 6.125 ( 7.923 0.000 0.602) 7.945 6.160 ( -2.424 0.000 2.018) 3.155 6.275 ( 6.363 0.000 -2.548) 6.855 6.348 ( 2.716 0.000 4.085) 4.905 6.518 ( -1.781 0.000 -2.559) 3.118 6.547 ( 1.170 0.000 2.525) 2.783 6.622 ( 0.371 0.000 -1.339) 1.389 6.671 ( -4.497 0.000 -0.731) 4.556 6.841 ( 4.695 0.000 -1.902) 5.066 6.903 ( 6.977 0.000 -0.345) 6.985 6.978 ( 4.632 0.000 -3.439) 5.769 7.041 ( -2.659 0.000 6.957) 7.448 7.624 ( -20.092 0.000 -0.084) 20.092 7.628 ( -16.877 0.000 -0.359) 16.880 7.790 ( -22.454 0.000 -0.566) 22.461 8.107 ( -16.690 0.000 0.190) 16.691 8.649 ( 3.332 0.000 -1.947) 3.859 8.738 ( 0.688 0.000 -1.369) 1.532 8.829 ( -1.544 0.000 3.492) 3.818 8.948 ( 1.638 0.000 -0.722) 1.790 9.136 ( 0.177 0.000 1.988) 1.996 9.163 ( 3.044 0.000 0.639) 3.110 9.178 ( 0.713 0.000 -3.185) 3.264 9.231 ( -0.556 0.000 2.302) 2.368 9.296 ( 3.340 0.000 -0.057) 3.341 9.432 ( 10.482 0.000 -1.025) 10.532 9.445 ( -1.201 0.000 2.103) 2.421 9.555 ( 2.269 0.000 0.209) 2.279 9.671 ( -1.012 0.000 -1.381) 1.712 9.676 ( -12.739 0.000 1.082) 12.785 9.793 ( -4.937 0.000 -2.526) 5.545 9.885 ( -9.396 0.000 -0.583) 9.414 9.909 ( 1.158 0.000 -4.415) 4.565 9.970 ( -1.730 0.000 3.489) 3.894 10.055 ( -9.194 0.000 -1.735) 9.356 10.203 ( -2.015 0.000 3.243) 3.818 10.451 ( -4.290 0.000 0.915) 4.387 10.483 ( -2.778 0.000 0.249) 2.789 10.694 ( -6.684 0.000 -0.244) 6.688 10.711 ( -2.426 0.000 -0.659) 2.514 11.469 ( 2.034 0.000 -0.343) 2.063 11.485 ( 5.913 0.000 0.309) 5.922 11.521 ( 5.787 0.000 0.149) 5.789 11.542 ( 7.657 0.000 0.168) 7.658 11.744 ( -1.758 0.000 -0.019) 1.758 11.772 ( -4.200 0.000 -1.355) 4.413 11.794 ( -1.734 0.000 3.006) 3.471 11.856 ( -4.018 0.000 -0.286) 4.028 11.972 ( 1.137 0.000 2.567) 2.808 12.079 ( 3.931 0.000 -0.011) 3.931 12.212 ( 6.052 0.000 -1.566) 6.251 12.241 ( -0.110 0.000 -1.986) 1.989 12.594 ( 4.545 0.000 1.172) 4.694 12.610 ( 3.612 0.000 0.004) 3.612 12.779 ( 0.284 0.000 -0.139) 0.316 12.816 ( -2.227 0.000 -0.588) 2.304 13.135 ( 4.276 0.000 -0.026) 4.276 13.174 ( 4.152 0.000 -0.279) 4.162 13.559 ( -7.517 0.000 0.225) 7.520 13.562 ( -8.681 0.000 -0.125) 8.682 13.858 ( 10.688 0.000 -0.364) 10.695 13.913 ( 13.623 0.000 2.464) 13.844 14.030 ( -1.378 0.000 -0.588) 1.498 14.061 ( 0.219 0.000 -0.031) 0.221 14.092 ( -1.310 0.000 -0.230) 1.330 14.182 ( 4.564 0.000 -0.664) 4.612 14.515 ( -6.663 0.000 -1.544) 6.839 14.551 ( -3.092 0.000 1.472) 3.425 14.916 ( 7.412 0.000 0.896) 7.466 14.954 ( 4.617 0.000 -2.174) 5.103 15.209 ( 3.167 0.000 1.191) 3.383 15.229 ( -2.252 0.000 0.409) 2.289 15.261 ( 1.729 0.000 -0.093) 1.731 15.298 ( 3.641 0.000 0.904) 3.752 15.400 ( 1.187 0.000 -0.914) 1.498 15.416 ( 4.861 0.000 -0.349) 4.873 15.669 ( 4.415 0.000 -2.127) 4.901 15.732 ( 7.866 0.000 -4.804) 9.217 15.766 ( 3.549 0.000 2.404) 4.287 15.797 ( 6.821 0.000 2.227) 7.175 16.285 ( -1.565 0.000 2.785) 3.194 16.312 ( -0.920 0.000 -1.117) 1.447 16.389 ( 2.020 0.000 -2.196) 2.983 16.404 ( -2.484 0.000 2.400) 3.454 17.059 ( 1.597 0.000 -0.411) 1.649 17.091 ( 1.703 0.000 1.187) 2.076 17.136 ( 0.403 0.000 0.630) 0.748 17.190 ( 1.523 0.000 -1.852) 2.398 19.650 ( 6.748 0.000 -3.470) 7.588 19.664 ( 8.981 0.000 1.543) 9.112 19.834 ( 5.251 0.000 -0.017) 5.251 19.886 ( 7.511 0.000 2.639) 7.961 20.155 ( -10.417 0.000 3.203) 10.899 20.287 ( -10.930 0.000 1.144) 10.990 20.446 ( -6.151 0.000 -1.887) 6.433 20.559 ( -6.357 0.000 -0.670) 6.392 21.888 ( 9.879 0.000 -0.219) 9.882 21.893 ( 11.244 0.000 -1.883) 11.401 22.044 ( 10.755 0.000 0.886) 10.792 22.067 ( 12.742 0.000 0.245) 12.744 22.560 ( -8.962 0.000 -1.055) 9.024 22.719 ( -8.407 0.000 -0.024) 8.407 22.790 ( -12.449 0.000 2.188) 12.639 22.873 ( -12.020 0.000 -0.452) 12.028 27.057 ( 16.805 0.000 -1.349) 16.859 27.074 ( 16.399 0.000 1.670) 16.484 27.366 ( 19.946 0.000 -8.099) 21.528 27.498 ( 22.430 0.000 10.842) 24.913 28.346 ( -19.130 0.000 1.538) 19.192 28.387 ( -19.104 0.000 -1.604) 19.172 28.708 ( -24.364 0.000 0.214) 24.365 28.862 ( -17.874 0.000 -0.965) 17.900 30.197 ( 11.427 0.000 1.353) 11.507 30.229 ( 12.126 0.000 -0.780) 12.151 30.369 ( 4.155 0.000 0.200) 4.159 30.408 ( 1.714 0.000 0.487) 1.782 30.473 ( 8.777 0.000 -2.211) 9.051 30.579 ( 8.970 0.000 1.644) 9.119 30.803 ( 6.531 0.000 9.139) 11.233 30.875 ( 0.823 0.000 -3.123) 3.230 30.990 ( -8.833 0.000 -1.974) 9.051 31.136 ( -9.398 0.000 1.736) 9.557 31.305 ( -9.949 0.000 4.348) 10.857 31.309 ( -6.146 0.000 -5.780) 8.437 31.821 ( 2.836 0.000 0.028) 2.836 31.837 ( 3.764 0.000 -1.269) 3.972 32.060 ( 1.640 0.000 -3.802) 4.141 32.314 ( 3.869 0.000 6.891) 7.903 32.600 ( 7.490 0.000 5.119) 9.072 32.609 ( 9.298 0.000 -1.179) 9.372 32.780 ( 13.995 0.000 0.057) 13.995 32.787 ( 12.980 0.000 -2.193) 13.164 33.128 ( -1.658 0.000 -1.943) 2.554 33.139 ( -0.535 0.000 1.224) 1.335 33.315 ( -5.770 0.000 -2.528) 6.300 33.331 ( -7.198 0.000 5.544) 9.085 33.983 ( -3.114 0.000 -3.398) 4.609 34.115 ( -5.793 0.000 -6.435) 8.658 34.620 ( 4.242 0.000 -1.262) 4.426 34.690 ( 2.574 0.000 -0.836) 2.706 34.828 ( -1.628 0.000 3.304) 3.683 35.048 ( -1.175 0.000 3.469) 3.663 35.111 ( 2.224 0.000 -1.577) 2.726 35.241 ( 2.634 0.000 -1.714) 3.142 35.337 ( -1.408 0.000 -0.598) 1.530 35.344 ( 0.812 0.000 0.634) 1.030 35.406 ( 2.598 0.000 -3.918) 4.701 35.455 ( -0.011 0.000 0.912) 0.912 36.801 ( -1.323 0.000 -15.441) 15.497 36.803 ( -5.554 0.000 14.447) 15.478 37.400 ( -19.138 0.000 10.725) 21.938 37.574 ( -13.901 0.000 -10.103) 17.185 ======================= Grid point 49 (20/69) ======================= q-point: ( 0.44 0.00 -0.80) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 69 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.485 ( 7.138 0.000 4.412) 8.392 1.609 ( 7.871 0.000 -5.805) 9.780 1.739 ( 2.517 0.000 -4.187) 4.885 1.766 ( 2.323 0.000 -4.205) 4.804 1.804 ( -2.082 0.000 6.856) 7.166 1.970 ( 1.996 0.000 2.111) 2.905 2.024 ( -5.476 0.000 -2.604) 6.064 2.154 ( 2.838 0.000 -2.139) 3.554 2.156 ( -4.496 0.000 -7.472) 8.720 2.233 ( 2.615 0.000 -2.376) 3.533 2.419 ( -0.269 0.000 -9.843) 9.847 2.456 ( 5.232 0.000 6.053) 8.001 2.576 ( -7.299 0.000 -4.817) 8.746 2.592 ( 10.352 0.000 -2.847) 10.737 2.642 ( -3.485 0.000 4.033) 5.330 2.719 ( 0.400 0.000 -0.204) 0.450 2.785 ( 4.900 0.000 -7.175) 8.688 2.796 ( 5.946 0.000 -1.855) 6.229 2.865 ( 10.905 0.000 1.243) 10.976 2.933 ( 3.872 0.000 4.418) 5.875 3.009 ( -0.405 0.000 4.660) 4.678 3.057 ( -3.783 0.000 0.702) 3.848 3.062 ( 0.858 0.000 -0.895) 1.240 3.208 ( 3.670 0.000 2.639) 4.521 3.221 ( -0.142 0.000 2.736) 2.740 3.285 ( 0.573 0.000 2.962) 3.017 3.329 ( -5.499 0.000 -0.452) 5.518 3.417 ( 0.549 0.000 3.734) 3.774 3.535 ( 4.910 0.000 2.457) 5.490 3.545 ( -3.773 0.000 -0.603) 3.821 3.567 ( -0.620 0.000 -0.440) 0.761 3.626 ( 3.130 0.000 -2.807) 4.204 3.785 ( 0.951 0.000 -1.581) 1.845 3.879 ( 4.480 0.000 -6.952) 8.270 3.993 ( 3.036 0.000 -2.341) 3.834 4.059 ( -1.175 0.000 1.514) 1.916 4.145 ( -1.889 0.000 -4.554) 4.930 4.153 ( 5.926 0.000 2.218) 6.327 4.250 ( 2.446 0.000 -0.526) 2.502 4.355 ( 2.479 0.000 -0.369) 2.506 4.411 ( -5.189 0.000 -2.859) 5.925 4.416 ( -0.720 0.000 4.090) 4.153 4.502 ( 4.280 0.000 -2.832) 5.133 4.518 ( 1.258 0.000 2.922) 3.181 4.559 ( -2.306 0.000 4.293) 4.873 4.598 ( -2.625 0.000 -3.452) 4.337 4.643 ( -4.311 0.000 0.466) 4.336 4.721 ( -0.041 0.000 -0.780) 0.781 4.803 ( -4.613 0.000 8.263) 9.464 4.825 ( -4.485 0.000 -3.298) 5.567 4.943 ( -1.439 0.000 1.951) 2.424 4.953 ( 0.357 0.000 -0.931) 0.997 5.090 ( -2.652 0.000 2.657) 3.754 5.144 ( 1.214 0.000 6.050) 6.170 5.207 ( 1.373 0.000 5.044) 5.227 5.326 ( -4.217 0.000 2.202) 4.757 5.354 ( 2.346 0.000 -3.340) 4.081 5.499 ( 1.696 0.000 -2.618) 3.120 5.539 ( 3.432 0.000 4.159) 5.392 5.616 ( 2.170 0.000 1.462) 2.617 5.918 ( -2.326 0.000 -2.062) 3.108 6.026 ( -0.679 0.000 -1.804) 1.927 6.062 ( 1.736 0.000 1.484) 2.284 6.130 ( -3.442 0.000 1.937) 3.950 6.162 ( 1.176 0.000 -0.460) 1.263 6.292 ( 1.964 0.000 -3.271) 3.815 6.309 ( 9.143 0.000 -2.789) 9.558 6.383 ( -0.247 0.000 0.458) 0.520 6.487 ( 0.818 0.000 -0.143) 0.830 6.536 ( -0.620 0.000 -0.619) 0.877 6.598 ( -0.825 0.000 -1.893) 2.065 6.624 ( -3.430 0.000 0.869) 3.538 6.889 ( 4.906 0.000 -0.307) 4.916 7.004 ( 3.115 0.000 0.035) 3.115 7.069 ( 5.914 0.000 -1.146) 6.024 7.090 ( -2.987 0.000 2.579) 3.946 7.390 ( -8.182 0.000 0.966) 8.239 7.411 ( -8.450 0.000 -0.665) 8.476 7.535 ( -7.324 0.000 4.599) 8.648 7.891 ( -10.596 0.000 1.062) 10.649 8.673 ( 2.446 0.000 -2.073) 3.206 8.727 ( 0.803 0.000 -2.860) 2.970 8.830 ( -2.451 0.000 2.277) 3.345 8.955 ( 0.976 0.000 -1.153) 1.510 9.150 ( -1.638 0.000 2.246) 2.780 9.162 ( 2.269 0.000 -2.107) 3.096 9.224 ( 3.436 0.000 0.893) 3.550 9.233 ( -1.869 0.000 1.280) 2.265 9.307 ( -2.879 0.000 1.493) 3.243 9.435 ( -3.068 0.000 1.717) 3.516 9.552 ( -4.795 0.000 1.527) 5.032 9.552 ( 7.490 0.000 -3.336) 8.200 9.566 ( 1.003 0.000 -0.499) 1.120 9.626 ( -2.244 0.000 -1.839) 2.902 9.745 ( 1.358 0.000 -1.453) 1.989 9.782 ( -5.448 0.000 -0.801) 5.506 9.897 ( 2.812 0.000 -3.013) 4.121 9.902 ( -1.894 0.000 -3.079) 3.614 9.998 ( -1.959 0.000 3.026) 3.605 10.176 ( -3.669 0.000 -0.376) 3.688 10.420 ( -1.808 0.000 0.979) 2.056 10.458 ( -1.018 0.000 0.282) 1.057 10.624 ( -1.797 0.000 0.654) 1.912 10.684 ( -0.553 0.000 -0.380) 0.671 11.487 ( 0.552 0.000 0.207) 0.589 11.535 ( 0.909 0.000 -0.178) 0.926 11.594 ( 3.319 0.000 0.067) 3.319 11.633 ( 3.168 0.000 0.052) 3.169 11.718 ( -1.584 0.000 1.403) 2.116 11.722 ( -0.315 0.000 -1.224) 1.264 11.796 ( -1.549 0.000 1.180) 1.947 11.812 ( -2.008 0.000 0.958) 2.224 11.988 ( -1.542 0.000 0.334) 1.577 12.120 ( 1.225 0.000 -0.469) 1.311 12.237 ( 1.651 0.000 -0.479) 1.719 12.267 ( 3.428 0.000 -1.862) 3.901 12.642 ( 1.177 0.000 -0.578) 1.311 12.659 ( 2.242 0.000 0.052) 2.243 12.763 ( -2.483 0.000 -0.296) 2.500 12.779 ( -0.662 0.000 0.457) 0.804 13.210 ( 4.446 0.000 -0.045) 4.446 13.238 ( 3.320 0.000 -0.232) 3.328 13.447 ( -5.357 0.000 -0.000) 5.357 13.464 ( -4.074 0.000 -0.368) 4.091 13.960 ( 2.404 0.000 -0.046) 2.405 13.994 ( -0.186 0.000 -0.503) 0.536 14.037 ( 0.331 0.000 -0.097) 0.345 14.069 ( 0.685 0.000 -0.228) 0.722 14.187 ( 10.595 0.000 1.593) 10.714 14.260 ( 6.474 0.000 -1.541) 6.655 14.371 ( -9.433 0.000 -0.564) 9.450 14.492 ( -5.663 0.000 -0.021) 5.663 14.993 ( 2.110 0.000 0.290) 2.130 14.996 ( 5.072 0.000 -1.356) 5.250 15.138 ( -6.440 0.000 0.581) 6.466 15.197 ( -3.131 0.000 0.442) 3.162 15.333 ( 5.282 0.000 -0.735) 5.333 15.353 ( 0.414 0.000 0.166) 0.447 15.415 ( 2.423 0.000 -0.544) 2.483 15.434 ( -1.650 0.000 0.222) 1.665 15.741 ( 4.943 0.000 -0.217) 4.947 15.824 ( 1.806 0.000 0.237) 1.821 15.828 ( 6.083 0.000 0.306) 6.091 15.906 ( 2.872 0.000 0.844) 2.994 16.284 ( -1.029 0.000 -0.069) 1.031 16.291 ( -2.029 0.000 2.802) 3.460 16.355 ( -4.681 0.000 0.489) 4.706 16.398 ( 2.245 0.000 -1.261) 2.575 17.076 ( 0.918 0.000 -0.542) 1.066 17.113 ( -0.272 0.000 -0.060) 0.279 17.146 ( -0.181 0.000 0.955) 0.972 17.198 ( 1.873 0.000 -1.107) 2.176 19.741 ( 8.631 0.000 -2.252) 8.920 19.813 ( 7.178 0.000 -0.331) 7.185 19.900 ( 2.038 0.000 0.624) 2.131 19.996 ( 1.534 0.000 0.871) 1.764 20.038 ( -8.818 0.000 4.140) 9.742 20.145 ( -7.580 0.000 1.753) 7.780 20.365 ( -2.071 0.000 0.129) 2.075 20.475 ( -2.898 0.000 0.148) 2.902 22.019 ( 5.227 0.000 0.257) 5.234 22.032 ( 7.515 0.000 -1.165) 7.605 22.198 ( 7.399 0.000 0.517) 7.417 22.248 ( 8.856 0.000 -0.063) 8.857 22.437 ( -4.478 0.000 -0.460) 4.502 22.584 ( -7.238 0.000 -1.756) 7.448 22.646 ( -7.835 0.000 2.236) 8.148 22.700 ( -7.773 0.000 -0.186) 7.775 27.271 ( 10.885 0.000 -0.792) 10.914 27.298 ( 7.867 0.000 0.876) 7.915 27.588 ( 14.909 0.000 -1.189) 14.956 27.853 ( 5.086 0.000 4.926) 7.080 28.121 ( -11.148 0.000 1.491) 11.247 28.140 ( -8.231 0.000 -1.322) 8.336 28.383 ( -13.230 0.000 2.877) 13.539 28.643 ( -8.571 0.000 0.457) 8.583 30.327 ( 3.141 0.000 0.317) 3.157 30.347 ( 5.454 0.000 -1.789) 5.740 30.420 ( 0.719 0.000 0.367) 0.807 30.429 ( 1.205 0.000 -0.227) 1.226 30.631 ( 10.224 0.000 2.710) 10.577 30.704 ( 3.614 0.000 1.524) 3.922 30.848 ( -4.432 0.000 1.613) 4.717 30.886 ( -1.536 0.000 0.961) 1.812 30.956 ( 0.172 0.000 9.623) 9.624 31.019 ( -5.290 0.000 -0.804) 5.351 31.191 ( -9.474 0.000 2.467) 9.789 31.235 ( 2.125 0.000 -1.005) 2.350 31.856 ( 0.902 0.000 -0.039) 0.903 31.856 ( 1.815 0.000 -2.865) 3.391 32.129 ( 4.995 0.000 6.657) 8.322 32.416 ( -2.079 0.000 7.266) 7.558 32.675 ( -0.685 0.000 -0.646) 0.942 32.693 ( 3.691 0.000 -2.786) 4.625 32.943 ( 8.837 0.000 -3.128) 9.374 32.955 ( 8.510 0.000 1.008) 8.569 33.071 ( 0.320 0.000 -4.195) 4.207 33.143 ( -1.671 0.000 1.173) 2.042 33.245 ( -2.890 0.000 2.030) 3.532 33.251 ( -9.582 0.000 3.798) 10.307 33.973 ( 1.933 0.000 3.550) 4.042 34.052 ( 2.524 0.000 1.270) 2.826 34.639 ( 1.744 0.000 -3.560) 3.964 34.676 ( 0.228 0.000 -5.317) 5.322 34.847 ( -1.525 0.000 4.403) 4.659 35.070 ( -1.708 0.000 4.312) 4.638 35.111 ( 1.183 0.000 -2.998) 3.222 35.259 ( 1.706 0.000 -1.487) 2.263 35.311 ( -0.541 0.000 -1.544) 1.636 35.347 ( -0.090 0.000 -1.014) 1.018 35.398 ( 2.708 0.000 -5.022) 5.706 35.446 ( -0.847 0.000 -1.510) 1.732 36.719 ( 8.277 0.000 -8.081) 11.567 36.777 ( -10.558 0.000 3.077) 10.998 37.211 ( -14.953 0.000 2.299) 15.129 37.354 ( 1.123 0.000 -9.105) 9.174 ======================= Grid point 50 (21/69) ======================= q-point: (-0.44 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 69 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.462 ( -12.568 0.000 -0.196) 12.569 1.642 ( -10.036 0.000 -1.220) 10.109 1.717 ( 1.332 0.000 -3.072) 3.349 1.800 ( 7.405 0.000 -2.940) 7.967 1.836 ( -10.735 0.000 -7.196) 12.924 1.889 ( 9.362 0.000 -0.822) 9.398 2.028 ( -5.238 0.000 -1.418) 5.426 2.057 ( 5.170 0.000 3.999) 6.536 2.206 ( -2.380 0.000 -3.931) 4.595 2.261 ( 9.092 0.000 4.275) 10.047 2.287 ( -14.577 0.000 -5.836) 15.702 2.376 ( 7.933 0.000 -0.375) 7.941 2.533 ( -1.425 0.000 -11.569) 11.657 2.610 ( 0.387 0.000 -9.311) 9.319 2.656 ( -0.622 0.000 0.438) 0.761 2.726 ( 2.131 0.000 1.431) 2.567 2.779 ( -4.866 0.000 3.791) 6.168 2.867 ( 4.647 0.000 3.466) 5.797 2.891 ( -14.712 0.000 2.113) 14.863 2.957 ( -2.120 0.000 2.519) 3.292 3.024 ( -0.516 0.000 -2.881) 2.927 3.039 ( -5.854 0.000 5.160) 7.803 3.093 ( 5.137 0.000 1.068) 5.247 3.167 ( -2.772 0.000 2.836) 3.966 3.230 ( -6.160 0.000 -3.202) 6.942 3.243 ( -5.427 0.000 3.411) 6.410 3.308 ( 5.707 0.000 -2.623) 6.281 3.496 ( -1.304 0.000 -3.937) 4.148 3.504 ( 1.456 0.000 7.562) 7.701 3.517 ( -8.429 0.000 1.037) 8.492 3.633 ( 5.863 0.000 0.635) 5.897 3.689 ( 3.100 0.000 1.951) 3.663 3.816 ( 3.705 0.000 -0.272) 3.715 3.901 ( 1.402 0.000 -4.451) 4.667 3.989 ( 1.409 0.000 0.024) 1.409 4.066 ( 0.399 0.000 4.865) 4.881 4.178 ( 7.518 0.000 -2.319) 7.868 4.198 ( -2.316 0.000 -4.270) 4.857 4.235 ( -0.647 0.000 0.843) 1.063 4.298 ( -3.139 0.000 1.468) 3.465 4.361 ( -1.775 0.000 -3.379) 3.817 4.449 ( -3.281 0.000 -4.519) 5.585 4.458 ( -6.652 0.000 -3.409) 7.475 4.481 ( -0.372 0.000 3.268) 3.289 4.511 ( -0.360 0.000 -5.287) 5.299 4.564 ( 1.185 0.000 1.349) 1.795 4.702 ( -2.365 0.000 2.126) 3.180 4.713 ( 5.544 0.000 3.441) 6.525 4.756 ( -0.549 0.000 0.330) 0.641 4.843 ( 3.752 0.000 2.247) 4.373 4.953 ( -1.199 0.000 4.185) 4.353 4.980 ( 3.278 0.000 1.169) 3.480 5.089 ( -3.159 0.000 5.118) 6.015 5.242 ( -0.044 0.000 4.091) 4.091 5.269 ( 0.030 0.000 2.234) 2.234 5.330 ( 2.671 0.000 3.161) 4.139 5.382 ( 3.983 0.000 -1.703) 4.332 5.534 ( 4.347 0.000 0.184) 4.351 5.643 ( -2.096 0.000 3.322) 3.928 5.645 ( 2.376 0.000 5.888) 6.349 5.891 ( 0.832 0.000 0.978) 1.284 5.969 ( -2.409 0.000 -3.523) 4.268 6.082 ( -3.444 0.000 -1.222) 3.654 6.115 ( -0.366 0.000 0.917) 0.987 6.126 ( -2.764 0.000 -1.275) 3.044 6.170 ( -2.965 0.000 -5.701) 6.426 6.319 ( -7.584 0.000 -3.657) 8.420 6.384 ( 0.220 0.000 -0.669) 0.704 6.519 ( -7.511 0.000 -2.382) 7.879 6.528 ( 2.721 0.000 0.916) 2.871 6.597 ( 5.640 0.000 0.448) 5.658 6.608 ( 4.519 0.000 0.046) 4.519 6.946 ( -0.937 0.000 1.579) 1.836 6.947 ( -6.053 0.000 -1.746) 6.300 6.971 ( -9.703 0.000 -0.439) 9.713 7.118 ( 1.851 0.000 1.308) 2.267 7.407 ( 8.118 0.000 1.099) 8.192 7.432 ( 9.678 0.000 0.440) 9.688 7.680 ( 11.122 0.000 8.154) 13.791 7.853 ( 6.008 0.000 -1.454) 6.182 8.680 ( 1.876 0.000 -2.377) 3.028 8.699 ( 0.262 0.000 -3.419) 3.429 8.810 ( -3.324 0.000 2.686) 4.274 8.960 ( 1.303 0.000 -1.310) 1.847 9.132 ( -2.783 0.000 1.183) 3.023 9.203 ( -2.871 0.000 -0.139) 2.875 9.203 ( 3.721 0.000 -1.064) 3.870 9.252 ( -5.368 0.000 3.140) 6.219 9.281 ( 2.851 0.000 0.171) 2.856 9.432 ( -0.815 0.000 2.199) 2.345 9.536 ( -4.734 0.000 -3.667) 5.988 9.559 ( 4.749 0.000 1.389) 4.948 9.580 ( 0.376 0.000 -0.615) 0.721 9.630 ( 6.454 0.000 -1.205) 6.565 9.718 ( 1.708 0.000 -1.995) 2.626 9.759 ( 1.155 0.000 -0.856) 1.438 9.850 ( -2.465 0.000 -3.849) 4.570 9.936 ( 5.354 0.000 -1.891) 5.678 10.050 ( 4.838 0.000 3.270) 5.840 10.103 ( -2.302 0.000 -2.322) 3.269 10.420 ( 0.815 0.000 1.292) 1.527 10.459 ( 1.062 0.000 0.190) 1.078 10.644 ( 2.233 0.000 0.966) 2.433 10.684 ( 1.256 0.000 -0.453) 1.335 11.493 ( -0.477 0.000 0.559) 0.734 11.520 ( -2.023 0.000 -0.711) 2.145 11.611 ( -2.572 0.000 0.761) 2.683 11.614 ( -4.140 0.000 -0.461) 4.166 11.730 ( -1.009 0.000 -0.118) 1.016 11.735 ( 2.887 0.000 0.153) 2.891 11.787 ( 0.460 0.000 1.782) 1.840 11.819 ( 1.937 0.000 0.496) 2.000 11.959 ( -2.174 0.000 0.531) 2.238 12.106 ( -1.268 0.000 -1.369) 1.866 12.256 ( 0.675 0.000 -0.382) 0.775 12.271 ( -0.752 0.000 -1.416) 1.603 12.630 ( -4.047 0.000 -0.875) 4.140 12.640 ( -0.893 0.000 -0.194) 0.914 12.774 ( 0.206 0.000 -0.114) 0.236 12.782 ( 3.462 0.000 0.473) 3.495 13.216 ( -4.050 0.000 0.234) 4.057 13.228 ( -3.638 0.000 -0.575) 3.683 13.445 ( 5.324 0.000 -0.036) 5.324 13.461 ( 4.174 0.000 -0.427) 4.195 13.952 ( -2.399 0.000 -0.029) 2.399 13.978 ( -1.422 0.000 -0.904) 1.685 14.051 ( 0.789 0.000 0.336) 0.858 14.067 ( -0.617 0.000 -0.507) 0.799 14.172 ( -10.615 0.000 0.750) 10.642 14.278 ( -4.858 0.000 -0.716) 4.910 14.407 ( 10.764 0.000 1.405) 10.855 14.432 ( 2.514 0.000 -2.531) 3.567 14.985 ( -3.545 0.000 -0.300) 3.558 15.035 ( -1.619 0.000 -0.302) 1.647 15.137 ( 6.636 0.000 1.268) 6.756 15.166 ( 0.206 0.000 -0.733) 0.762 15.319 ( -3.584 0.000 -0.978) 3.715 15.352 ( -3.048 0.000 0.197) 3.054 15.416 ( 0.417 0.000 -0.625) 0.751 15.444 ( 0.320 0.000 0.458) 0.558 15.773 ( -1.243 0.000 1.237) 1.754 15.794 ( -5.398 0.000 -0.994) 5.489 15.888 ( -5.186 0.000 -0.739) 5.239 15.914 ( 2.656 0.000 2.906) 3.937 16.262 ( -3.437 0.000 1.473) 3.739 16.311 ( 4.138 0.000 1.491) 4.398 16.327 ( 0.593 0.000 -0.602) 0.845 16.430 ( 2.415 0.000 -0.097) 2.417 17.073 ( -0.490 0.000 -0.244) 0.547 17.087 ( -1.786 0.000 -1.003) 2.049 17.152 ( -0.535 0.000 0.891) 1.040 17.214 ( 0.896 0.000 -0.565) 1.060 19.765 ( -8.018 0.000 -1.870) 8.233 19.814 ( -0.456 0.000 -0.495) 0.673 19.948 ( -1.914 0.000 -1.306) 2.317 19.956 ( -0.471 0.000 2.219) 2.268 20.006 ( -2.645 0.000 4.401) 5.135 20.133 ( 3.883 0.000 1.668) 4.226 20.408 ( 5.698 0.000 1.678) 5.940 20.489 ( 3.919 0.000 -0.198) 3.924 22.004 ( -6.487 0.000 -0.464) 6.504 22.046 ( -4.854 0.000 -0.474) 4.877 22.217 ( -8.281 0.000 1.204) 8.368 22.242 ( -9.192 0.000 -0.397) 9.201 22.470 ( 7.848 0.000 1.068) 7.921 22.527 ( 6.361 0.000 -3.301) 7.166 22.643 ( 4.501 0.000 1.363) 4.703 22.711 ( 8.487 0.000 0.262) 8.491 27.265 ( -11.308 0.000 -0.521) 11.320 27.307 ( -7.159 0.000 0.690) 7.192 27.664 ( -22.416 0.000 -2.883) 22.600 27.773 ( 4.880 0.000 6.440) 8.080 28.087 ( 7.933 0.000 -0.027) 7.933 28.171 ( 12.202 0.000 0.030) 12.202 28.486 ( 11.753 0.000 5.475) 12.965 28.642 ( 8.133 0.000 0.142) 8.134 30.296 ( -5.904 0.000 -0.502) 5.926 30.374 ( -3.947 0.000 -1.260) 4.144 30.382 ( -1.156 0.000 0.423) 1.230 30.429 ( -1.631 0.000 -0.366) 1.672 30.696 ( -6.618 0.000 0.804) 6.667 30.715 ( -6.243 0.000 3.640) 7.227 30.903 ( 9.815 0.000 3.567) 10.443 30.940 ( -4.859 0.000 1.119) 4.987 30.954 ( 5.670 0.000 5.079) 7.612 31.009 ( -8.120 0.000 4.573) 9.320 31.135 ( 5.344 0.000 -0.503) 5.367 31.344 ( 8.504 0.000 4.288) 9.524 31.840 ( -2.033 0.000 -0.788) 2.180 31.851 ( 0.123 0.000 0.033) 0.127 32.338 ( 7.606 0.000 12.491) 14.625 32.380 ( -9.737 0.000 3.036) 10.199 32.617 ( -4.225 0.000 -1.952) 4.654 32.651 ( -3.230 0.000 -4.472) 5.516 32.933 ( -6.488 0.000 -3.382) 7.316 32.998 ( -2.858 0.000 -0.219) 2.866 33.052 ( -5.551 0.000 -2.617) 6.137 33.100 ( 3.343 0.000 2.559) 4.210 33.252 ( 3.713 0.000 4.347) 5.717 33.303 ( 8.189 0.000 1.725) 8.369 34.098 ( 4.106 0.000 8.781) 9.693 34.183 ( 6.820 0.000 5.972) 9.065 34.584 ( -0.929 0.000 -9.112) 9.160 34.606 ( -0.148 0.000 -5.237) 5.239 34.879 ( -1.473 0.000 5.535) 5.728 35.085 ( -2.643 0.000 4.273) 5.025 35.091 ( 0.752 0.000 -3.043) 3.134 35.253 ( 0.421 0.000 -2.278) 2.317 35.284 ( 0.065 0.000 -2.867) 2.868 35.321 ( -0.930 0.000 -2.569) 2.732 35.375 ( 2.564 0.000 -6.641) 7.119 35.409 ( -0.463 0.000 -2.206) 2.254 36.552 ( -15.956 0.000 -6.003) 17.048 36.867 ( 15.971 0.000 -0.522) 15.979 36.989 ( -11.027 0.000 -6.102) 12.603 37.417 ( 15.720 0.000 -4.485) 16.347 ======================= Grid point 51 (22/69) ======================= q-point: (-0.33 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 69 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.209 ( -17.722 0.000 -1.946) 17.829 1.314 ( -22.659 0.000 -4.421) 23.086 1.594 ( -11.331 0.000 -3.791) 11.948 1.762 ( -1.218 0.000 -2.474) 2.758 1.801 ( -3.915 0.000 -4.489) 5.956 1.873 ( 0.548 0.000 -4.788) 4.819 1.914 ( -7.650 0.000 -1.509) 7.798 1.988 ( -9.724 0.000 -5.617) 11.230 2.134 ( -15.380 0.000 -7.608) 17.159 2.188 ( -10.013 0.000 -3.060) 10.470 2.241 ( 6.878 0.000 7.637) 10.278 2.454 ( 3.481 0.000 -7.071) 7.881 2.489 ( 5.891 0.000 2.199) 6.288 2.578 ( -6.372 0.000 -3.054) 7.066 2.668 ( 10.293 0.000 3.770) 10.962 2.705 ( -0.201 0.000 1.371) 1.386 2.716 ( -4.710 0.000 -3.450) 5.839 2.834 ( -3.638 0.000 8.999) 9.706 2.877 ( -8.143 0.000 1.303) 8.247 2.917 ( -5.739 0.000 1.826) 6.023 2.976 ( -4.540 0.000 -4.841) 6.636 2.977 ( 2.220 0.000 1.565) 2.716 3.086 ( 1.030 0.000 2.831) 3.012 3.123 ( -4.955 0.000 -5.785) 7.617 3.242 ( 1.506 0.000 -0.305) 1.536 3.285 ( -0.455 0.000 4.762) 4.784 3.305 ( -4.097 0.000 4.477) 6.068 3.373 ( -7.446 0.000 6.046) 9.592 3.425 ( -1.949 0.000 -7.126) 7.388 3.575 ( -0.096 0.000 2.123) 2.125 3.605 ( -4.732 0.000 -4.478) 6.515 3.707 ( -3.856 0.000 2.975) 4.871 3.864 ( 1.624 0.000 -5.587) 5.818 3.865 ( 0.339 0.000 3.489) 3.506 3.993 ( -0.222 0.000 -5.297) 5.302 4.028 ( -6.854 0.000 -2.358) 7.249 4.148 ( -2.601 0.000 4.297) 5.023 4.180 ( -4.900 0.000 -5.730) 7.540 4.222 ( -5.458 0.000 -7.035) 8.904 4.265 ( 1.126 0.000 0.254) 1.155 4.360 ( 0.691 0.000 -1.425) 1.584 4.376 ( 4.971 0.000 6.471) 8.160 4.410 ( -3.909 0.000 0.003) 3.909 4.471 ( 3.353 0.000 9.398) 9.979 4.525 ( 2.111 0.000 -2.197) 3.046 4.601 ( 6.760 0.000 -2.204) 7.110 4.742 ( 5.559 0.000 -1.111) 5.669 4.802 ( 5.625 0.000 -1.348) 5.784 4.828 ( 3.596 0.000 5.186) 6.311 4.920 ( 2.631 0.000 -0.593) 2.697 5.011 ( 2.515 0.000 3.751) 4.516 5.070 ( 4.280 0.000 3.066) 5.265 5.089 ( -4.465 0.000 5.626) 7.182 5.237 ( -0.751 0.000 -1.621) 1.787 5.259 ( -1.490 0.000 -1.092) 1.847 5.418 ( 3.091 0.000 -3.079) 4.363 5.432 ( 4.139 0.000 2.605) 4.891 5.585 ( 2.494 0.000 -2.612) 3.611 5.633 ( -4.163 0.000 3.304) 5.314 5.719 ( -0.368 0.000 2.987) 3.009 5.898 ( -1.484 0.000 -2.178) 2.635 5.934 ( -1.926 0.000 0.912) 2.131 5.993 ( -4.751 0.000 -3.122) 5.685 6.028 ( -0.087 0.000 2.276) 2.277 6.091 ( -1.124 0.000 0.165) 1.136 6.115 ( -11.236 0.000 -2.689) 11.553 6.191 ( 0.524 0.000 1.922) 1.992 6.321 ( -7.443 0.000 1.498) 7.592 6.430 ( 1.101 0.000 -2.107) 2.377 6.569 ( 2.824 0.000 -1.330) 3.121 6.648 ( 1.447 0.000 -2.042) 2.503 6.684 ( 2.852 0.000 0.714) 2.940 6.799 ( -9.637 0.000 -0.467) 9.648 6.905 ( 0.881 0.000 -0.984) 1.321 6.910 ( -4.325 0.000 0.361) 4.340 7.128 ( -2.976 0.000 3.334) 4.470 7.651 ( 16.988 0.000 0.172) 16.988 7.654 ( 20.249 0.000 0.723) 20.262 7.950 ( 12.883 0.000 5.562) 14.032 8.007 ( 17.553 0.000 -4.780) 18.193 8.665 ( -0.140 0.000 -2.911) 2.914 8.683 ( 1.690 0.000 -1.976) 2.601 8.802 ( -2.707 0.000 4.555) 5.299 8.958 ( 0.005 0.000 -1.165) 1.165 9.095 ( -1.857 0.000 -1.718) 2.530 9.152 ( -3.242 0.000 0.816) 3.343 9.169 ( -3.487 0.000 -0.599) 3.539 9.269 ( -2.585 0.000 2.884) 3.872 9.315 ( 2.793 0.000 -0.178) 2.799 9.439 ( -2.895 0.000 -1.670) 3.342 9.454 ( -0.550 0.000 3.216) 3.262 9.536 ( -6.535 0.000 0.716) 6.574 9.679 ( -4.321 0.000 -0.948) 4.424 9.718 ( 12.125 0.000 1.923) 12.276 9.748 ( 9.446 0.000 -3.556) 10.093 9.768 ( 2.835 0.000 -2.635) 3.871 9.861 ( 11.012 0.000 -2.794) 11.361 9.994 ( 6.107 0.000 -2.236) 6.504 10.112 ( 4.409 0.000 1.170) 4.562 10.177 ( 5.868 0.000 3.049) 6.613 10.479 ( 4.434 0.000 1.821) 4.794 10.498 ( 3.456 0.000 0.329) 3.472 10.690 ( 2.932 0.000 -0.527) 2.979 10.721 ( 4.459 0.000 -0.367) 4.474 11.461 ( -4.630 0.000 -0.458) 4.653 11.478 ( -2.143 0.000 0.485) 2.198 11.514 ( -7.742 0.000 -1.034) 7.811 11.526 ( -8.609 0.000 0.367) 8.617 11.707 ( 0.586 0.000 -0.327) 0.671 11.803 ( 4.013 0.000 0.567) 4.052 11.832 ( 0.944 0.000 2.466) 2.640 11.869 ( 4.060 0.000 -0.256) 4.069 11.935 ( -3.144 0.000 2.347) 3.923 12.068 ( -1.459 0.000 -0.853) 1.690 12.223 ( -2.962 0.000 -0.763) 3.059 12.239 ( -1.112 0.000 -2.620) 2.846 12.558 ( -4.136 0.000 0.258) 4.144 12.607 ( -3.357 0.000 0.155) 3.361 12.787 ( 1.271 0.000 0.079) 1.273 12.823 ( 0.702 0.000 -0.383) 0.799 13.142 ( -4.744 0.000 0.357) 4.757 13.161 ( -3.093 0.000 -0.777) 3.189 13.551 ( 7.332 0.000 -0.001) 7.332 13.561 ( 8.928 0.000 -0.062) 8.928 13.854 ( -14.161 0.000 -0.414) 14.167 13.908 ( -4.415 0.000 2.250) 4.955 14.042 ( -1.436 0.000 -1.018) 1.760 14.051 ( 1.136 0.000 0.309) 1.178 14.117 ( 0.778 0.000 0.934) 1.216 14.167 ( -5.338 0.000 -1.429) 5.526 14.474 ( 4.380 0.000 -1.573) 4.654 14.567 ( 6.984 0.000 0.882) 7.039 14.892 ( -7.164 0.000 -0.535) 7.184 14.996 ( -3.334 0.000 -0.388) 3.357 15.172 ( -0.730 0.000 0.224) 0.764 15.220 ( -3.145 0.000 0.158) 3.149 15.257 ( 0.588 0.000 -0.320) 0.670 15.289 ( -4.453 0.000 0.900) 4.543 15.410 ( -0.850 0.000 -0.704) 1.104 15.424 ( -2.168 0.000 -0.165) 2.174 15.657 ( -8.381 0.000 -2.080) 8.636 15.749 ( -9.918 0.000 -1.424) 10.020 15.782 ( 1.378 0.000 2.573) 2.919 15.971 ( 0.686 0.000 2.603) 2.692 16.253 ( -0.208 0.000 1.369) 1.385 16.321 ( -0.402 0.000 -1.414) 1.470 16.408 ( 1.164 0.000 2.041) 2.350 16.480 ( 6.100 0.000 2.507) 6.595 17.052 ( -1.128 0.000 -0.710) 1.333 17.061 ( -1.030 0.000 0.405) 1.107 17.143 ( -1.620 0.000 0.296) 1.647 17.209 ( -0.567 0.000 -0.662) 0.872 19.617 ( -8.049 0.000 -1.112) 8.126 19.747 ( -4.587 0.000 -0.843) 4.664 19.854 ( -8.757 0.000 1.304) 8.854 19.922 ( -6.598 0.000 3.874) 7.651 20.120 ( 8.894 0.000 2.695) 9.293 20.256 ( 8.750 0.000 0.138) 8.751 20.538 ( 7.762 0.000 1.698) 7.945 20.561 ( 6.118 0.000 -1.609) 6.326 21.853 ( -10.462 0.000 -1.877) 10.629 21.905 ( -11.247 0.000 -1.009) 11.292 22.043 ( -12.882 0.000 0.809) 12.907 22.062 ( -12.128 0.000 0.175) 12.129 22.629 ( 9.257 0.000 2.088) 9.489 22.653 ( 12.658 0.000 -3.302) 13.082 22.774 ( 8.781 0.000 1.939) 8.992 22.880 ( 11.530 0.000 -0.181) 11.532 27.029 ( -16.260 0.000 -0.470) 16.267 27.111 ( -17.331 0.000 0.934) 17.356 27.274 ( -22.737 0.000 -2.148) 22.838 27.894 ( -1.614 0.000 12.145) 12.252 28.314 ( 19.298 0.000 0.152) 19.298 28.432 ( 19.382 0.000 0.272) 19.384 28.736 ( 15.188 0.000 1.733) 15.286 28.859 ( 18.984 0.000 -1.623) 19.053 30.154 ( -11.779 0.000 -0.031) 11.779 30.230 ( -11.783 0.000 -0.231) 11.786 30.378 ( -3.624 0.000 -0.443) 3.651 30.389 ( -0.121 0.000 0.917) 0.925 30.536 ( -12.586 0.000 -1.372) 12.661 30.638 ( -7.284 0.000 2.787) 7.799 30.763 ( -19.345 0.000 3.363) 19.636 31.015 ( 6.740 0.000 -2.759) 7.282 31.094 ( 10.869 0.000 2.309) 11.111 31.165 ( 9.110 0.000 9.209) 12.954 31.245 ( 7.298 0.000 -0.117) 7.299 31.548 ( 9.652 0.000 5.174) 10.952 31.795 ( -1.897 0.000 -0.966) 2.129 31.878 ( -0.461 0.000 6.586) 6.602 32.224 ( -10.616 0.000 -1.035) 10.666 32.488 ( -10.580 0.000 -0.290) 10.584 32.522 ( -4.883 0.000 -4.607) 6.714 32.595 ( 3.147 0.000 10.943) 11.387 32.732 ( -14.232 0.000 -0.488) 14.240 32.926 ( -3.325 0.000 0.372) 3.345 32.996 ( 1.676 0.000 -3.256) 3.662 33.238 ( 8.337 0.000 8.027) 11.573 33.386 ( 6.648 0.000 4.186) 7.856 33.482 ( 10.902 0.000 1.914) 11.069 34.257 ( 2.873 0.000 8.910) 9.361 34.338 ( 4.868 0.000 4.392) 6.557 34.440 ( -1.753 0.000 -12.871) 12.990 34.532 ( 0.282 0.000 -8.787) 8.791 34.929 ( -0.970 0.000 7.182) 7.247 35.072 ( 0.738 0.000 -2.342) 2.456 35.085 ( -3.766 0.000 5.187) 6.410 35.235 ( 0.108 0.000 -1.263) 1.267 35.242 ( 0.419 0.000 -5.797) 5.812 35.266 ( -1.191 0.000 -3.846) 4.026 35.327 ( 1.725 0.000 -7.937) 8.122 35.389 ( -0.203 0.000 -1.062) 1.082 36.180 ( -19.978 0.000 -9.497) 22.121 36.738 ( -8.973 0.000 -10.956) 14.161 37.152 ( 17.942 0.000 2.403) 18.102 37.687 ( 21.808 0.000 -1.712) 21.875 ======================= Grid point 52 (23/69) ======================= q-point: (-0.22 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 69 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.880 ( -23.645 0.000 0.257) 23.647 0.883 ( -27.712 0.000 -1.389) 27.747 1.332 ( -23.815 0.000 -7.701) 25.029 1.479 ( -23.955 0.000 1.106) 23.980 1.681 ( -7.617 0.000 1.291) 7.726 1.692 ( -8.733 0.000 -1.194) 8.814 1.824 ( -1.445 0.000 -1.937) 2.416 1.894 ( -6.457 0.000 1.710) 6.680 1.937 ( 1.216 0.000 -1.970) 2.315 2.179 ( -0.771 0.000 7.915) 7.952 2.298 ( -1.936 0.000 -9.618) 9.811 2.400 ( 2.676 0.000 -1.323) 2.986 2.432 ( -7.807 0.000 -2.472) 8.188 2.557 ( -5.820 0.000 1.722) 6.069 2.669 ( 3.426 0.000 -4.259) 5.466 2.676 ( 3.531 0.000 -3.550) 5.007 2.784 ( -2.156 0.000 -0.482) 2.209 2.784 ( 1.466 0.000 0.506) 1.551 2.829 ( -4.159 0.000 5.992) 7.294 2.923 ( -1.983 0.000 -6.908) 7.187 2.964 ( 0.818 0.000 0.889) 1.208 3.011 ( -0.106 0.000 -0.061) 0.123 3.022 ( -1.177 0.000 4.589) 4.738 3.044 ( -2.203 0.000 -0.544) 2.269 3.176 ( -4.768 0.000 0.960) 4.864 3.207 ( -5.373 0.000 -3.934) 6.660 3.308 ( -4.566 0.000 -2.455) 5.184 3.395 ( 1.860 0.000 9.395) 9.577 3.403 ( -1.448 0.000 5.259) 5.455 3.540 ( -2.286 0.000 -0.841) 2.436 3.589 ( -10.412 0.000 -3.662) 11.037 3.618 ( 5.247 0.000 1.172) 5.377 3.757 ( -2.279 0.000 -10.180) 10.432 3.815 ( -10.558 0.000 -0.693) 10.581 3.933 ( -2.144 0.000 -2.990) 3.680 4.026 ( 6.307 0.000 1.412) 6.463 4.063 ( -1.841 0.000 -1.159) 2.176 4.069 ( -3.635 0.000 -0.195) 3.640 4.154 ( -5.738 0.000 5.762) 8.132 4.248 ( -3.021 0.000 2.225) 3.752 4.343 ( 4.635 0.000 -2.254) 5.154 4.458 ( 0.789 0.000 1.745) 1.915 4.474 ( 1.016 0.000 -2.005) 2.248 4.561 ( 4.426 0.000 5.463) 7.031 4.596 ( 3.666 0.000 1.889) 4.125 4.762 ( 1.749 0.000 -8.152) 8.338 4.808 ( 12.021 0.000 8.170) 14.535 4.830 ( 3.658 0.000 -7.137) 8.020 4.885 ( -6.140 0.000 -1.263) 6.269 4.957 ( 4.769 0.000 4.786) 6.756 4.999 ( -3.804 0.000 -1.814) 4.214 5.144 ( 4.021 0.000 2.493) 4.731 5.154 ( 1.615 0.000 3.785) 4.115 5.213 ( -1.101 0.000 -3.643) 3.806 5.231 ( 2.211 0.000 -0.326) 2.235 5.386 ( -0.219 0.000 -6.811) 6.815 5.491 ( 2.687 0.000 -1.549) 3.101 5.555 ( -5.435 0.000 -3.872) 6.673 5.558 ( -1.231 0.000 -3.015) 3.256 5.647 ( -4.781 0.000 -4.162) 6.339 5.882 ( -6.618 0.000 3.345) 7.415 5.901 ( -0.959 0.000 1.622) 1.884 5.947 ( 0.292 0.000 3.765) 3.776 5.965 ( -6.992 0.000 1.713) 7.198 6.096 ( 1.626 0.000 0.425) 1.681 6.103 ( 2.987 0.000 0.509) 3.030 6.167 ( -6.179 0.000 4.945) 7.915 6.299 ( 0.504 0.000 3.101) 3.142 6.471 ( 4.093 0.000 0.894) 4.189 6.597 ( 1.399 0.000 -0.403) 1.456 6.622 ( -0.363 0.000 -2.536) 2.562 6.683 ( -3.362 0.000 -1.766) 3.797 6.693 ( -1.077 0.000 0.667) 1.267 6.826 ( -4.581 0.000 -2.546) 5.241 6.914 ( 0.783 0.000 -1.265) 1.488 7.126 ( -2.074 0.000 3.462) 4.036 7.930 ( 18.558 0.000 -0.304) 18.560 7.989 ( 21.860 0.000 -0.511) 21.866 8.203 ( 13.501 0.000 4.183) 14.134 8.268 ( 21.239 0.000 -3.511) 21.527 8.621 ( -2.138 0.000 -2.379) 3.199 8.689 ( 1.071 0.000 -0.683) 1.270 8.826 ( -1.227 0.000 5.038) 5.186 8.932 ( -2.421 0.000 -0.173) 2.427 9.043 ( -1.552 0.000 -2.036) 2.560 9.114 ( -2.501 0.000 -1.139) 2.748 9.132 ( -1.626 0.000 1.627) 2.300 9.208 ( -7.586 0.000 1.897) 7.820 9.346 ( -0.144 0.000 0.028) 0.147 9.396 ( -4.595 0.000 -4.024) 6.108 9.410 ( -6.296 0.000 3.297) 7.107 9.458 ( -2.330 0.000 1.229) 2.634 9.604 ( -3.205 0.000 -0.215) 3.212 9.789 ( 4.552 0.000 -3.666) 5.845 9.888 ( 10.848 0.000 -1.034) 10.897 9.935 ( 11.694 0.000 2.380) 11.934 10.022 ( 12.073 0.000 -2.591) 12.348 10.111 ( 9.095 0.000 0.091) 9.095 10.231 ( 9.070 0.000 1.345) 9.169 10.276 ( 2.957 0.000 1.824) 3.475 10.570 ( 5.479 0.000 0.348) 5.490 10.586 ( 6.762 0.000 1.094) 6.850 10.721 ( 2.697 0.000 -1.275) 2.983 10.817 ( 7.501 0.000 0.487) 7.516 11.349 ( -11.236 0.000 0.346) 11.241 11.367 ( -9.135 0.000 -0.953) 9.184 11.399 ( -6.124 0.000 0.280) 6.131 11.448 ( -2.472 0.000 0.591) 2.541 11.747 ( 2.689 0.000 1.619) 3.139 11.837 ( 1.685 0.000 -1.875) 2.521 11.866 ( 1.474 0.000 1.367) 2.010 11.911 ( -4.300 0.000 3.621) 5.622 11.940 ( 5.111 0.000 -0.227) 5.116 12.045 ( -1.851 0.000 0.823) 2.026 12.159 ( -3.687 0.000 -4.609) 5.902 12.191 ( -0.079 0.000 -0.269) 0.281 12.516 ( -3.009 0.000 1.370) 3.306 12.543 ( -5.209 0.000 0.313) 5.218 12.787 ( -3.215 0.000 -1.561) 3.574 12.806 ( 0.491 0.000 0.493) 0.696 13.089 ( -2.854 0.000 0.416) 2.884 13.131 ( 0.351 0.000 -0.796) 0.870 13.587 ( -14.903 0.000 0.803) 14.925 13.702 ( 7.753 0.000 0.034) 7.753 13.710 ( 10.228 0.000 -0.114) 10.229 13.871 ( -5.215 0.000 4.004) 6.575 14.017 ( 1.107 0.000 -1.392) 1.778 14.099 ( 3.334 0.000 -0.140) 3.337 14.109 ( -1.114 0.000 -0.483) 1.214 14.146 ( 2.549 0.000 0.270) 2.563 14.519 ( 2.820 0.000 -0.426) 2.852 14.608 ( -2.368 0.000 -0.519) 2.424 14.766 ( -8.415 0.000 -0.109) 8.416 14.890 ( -9.341 0.000 -1.446) 9.453 15.105 ( -12.039 0.000 0.152) 12.040 15.110 ( -8.155 0.000 1.165) 8.238 15.222 ( -9.465 0.000 1.321) 9.557 15.245 ( 0.923 0.000 -1.933) 2.142 15.369 ( -1.466 0.000 0.190) 1.478 15.436 ( 4.118 0.000 -0.338) 4.132 15.562 ( -0.788 0.000 -1.257) 1.483 15.618 ( -2.397 0.000 -1.742) 2.963 15.858 ( 2.078 0.000 2.574) 3.308 15.988 ( 1.774 0.000 -2.368) 2.959 16.258 ( -1.314 0.000 0.399) 1.373 16.286 ( -2.381 0.000 -0.242) 2.393 16.379 ( -4.507 0.000 0.619) 4.549 16.665 ( 10.275 0.000 3.205) 10.763 17.039 ( 0.288 0.000 -0.632) 0.694 17.055 ( -0.675 0.000 1.006) 1.211 17.112 ( -2.064 0.000 -0.292) 2.084 17.188 ( -1.269 0.000 -0.477) 1.355 19.507 ( -5.058 0.000 -0.066) 5.059 19.672 ( -3.561 0.000 -2.180) 4.175 19.745 ( -6.346 0.000 1.886) 6.620 19.858 ( -6.513 0.000 2.894) 7.127 20.293 ( 8.684 0.000 3.002) 9.188 20.380 ( 7.199 0.000 -0.152) 7.201 20.633 ( 5.850 0.000 -2.112) 6.220 20.658 ( 5.396 0.000 0.388) 5.410 21.668 ( -8.771 0.000 -2.796) 9.206 21.707 ( -11.617 0.000 -1.319) 11.692 21.876 ( -9.826 0.000 0.996) 9.876 21.893 ( -10.514 0.000 0.993) 10.561 22.789 ( 7.634 0.000 3.301) 8.317 22.815 ( 12.755 0.000 -4.116) 13.402 22.935 ( 8.065 0.000 3.525) 8.802 23.034 ( 8.676 0.000 -0.738) 8.707 26.792 ( -13.469 0.000 -0.094) 13.470 26.846 ( -16.822 0.000 0.868) 16.844 26.934 ( -18.744 0.000 -1.345) 18.793 27.999 ( -0.405 0.000 7.040) 7.051 28.644 ( 22.183 0.000 0.563) 22.191 28.743 ( 21.086 0.000 -1.152) 21.117 29.003 ( 17.731 0.000 1.173) 17.770 29.134 ( 18.113 0.000 -2.081) 18.232 29.940 ( -16.307 0.000 0.719) 16.323 30.014 ( -15.986 0.000 -0.103) 15.986 30.297 ( -15.683 0.000 -2.235) 15.841 30.324 ( -2.989 0.000 -0.086) 2.991 30.400 ( 0.244 0.000 0.815) 0.851 30.492 ( -18.009 0.000 2.587) 18.193 30.563 ( -5.386 0.000 1.191) 5.516 31.106 ( 7.625 0.000 -1.637) 7.799 31.274 ( 8.546 0.000 1.158) 8.624 31.342 ( 6.074 0.000 -1.256) 6.202 31.409 ( 11.663 0.000 5.454) 12.875 31.724 ( 8.199 0.000 1.817) 8.398 31.769 ( -0.280 0.000 -0.868) 0.913 32.007 ( 2.152 0.000 12.182) 12.371 32.067 ( -6.362 0.000 -1.740) 6.596 32.311 ( -12.824 0.000 1.905) 12.965 32.381 ( -5.584 0.000 -5.456) 7.807 32.511 ( -13.806 0.000 0.067) 13.806 32.573 ( -12.420 0.000 1.798) 12.549 32.987 ( 6.244 0.000 1.985) 6.552 33.010 ( 2.565 0.000 -0.765) 2.677 33.528 ( 6.948 0.000 1.410) 7.089 33.550 ( 18.062 0.000 8.291) 19.874 33.653 ( 8.598 0.000 0.972) 8.652 34.236 ( -1.795 0.000 -20.206) 20.285 34.370 ( 0.682 0.000 6.314) 6.350 34.381 ( 0.747 0.000 -24.220) 24.232 34.422 ( 1.240 0.000 2.591) 2.872 34.992 ( 0.628 0.000 -0.099) 0.636 35.063 ( 1.144 0.000 -1.858) 2.181 35.105 ( -3.537 0.000 10.385) 10.971 35.155 ( -1.560 0.000 -7.248) 7.414 35.206 ( -1.288 0.000 -3.199) 3.448 35.231 ( 0.027 0.000 0.330) 0.331 35.279 ( -1.196 0.000 2.612) 2.872 35.373 ( -0.611 0.000 -0.562) 0.830 35.778 ( -20.710 0.000 -3.120) 20.944 36.530 ( -9.183 0.000 6.969) 11.528 37.427 ( 14.592 0.000 0.189) 14.594 38.000 ( 19.793 0.000 -1.421) 19.844 ======================= Grid point 53 (24/69) ======================= q-point: (-0.11 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 69 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.517 ( -25.516 0.000 10.208) 27.482 0.518 ( -27.050 0.000 8.890) 28.473 0.756 ( -39.925 0.000 14.519) 42.483 1.314 ( -6.404 0.000 9.955) 11.837 1.549 ( -8.730 0.000 -4.621) 9.878 1.617 ( -4.510 0.000 2.330) 5.077 1.824 ( -4.905 0.000 2.014) 5.302 1.848 ( 1.868 0.000 6.630) 6.888 1.961 ( 0.725 0.000 4.287) 4.348 2.168 ( -2.227 0.000 -6.619) 6.983 2.236 ( -8.145 0.000 3.072) 8.705 2.342 ( 2.675 0.000 -5.654) 6.255 2.358 ( 2.455 0.000 5.718) 6.223 2.528 ( -3.340 0.000 -0.127) 3.343 2.666 ( 2.674 0.000 -3.164) 4.143 2.674 ( -1.892 0.000 1.355) 2.327 2.710 ( 2.293 0.000 -12.615) 12.822 2.753 ( -4.260 0.000 0.008) 4.260 2.808 ( -1.992 0.000 -3.222) 3.788 2.910 ( 4.362 0.000 0.359) 4.376 2.947 ( -3.990 0.000 0.032) 3.990 3.017 ( 3.850 0.000 1.285) 4.058 3.030 ( -3.053 0.000 1.742) 3.515 3.078 ( -9.033 0.000 0.538) 9.049 3.124 ( 3.695 0.000 4.245) 5.628 3.145 ( -0.532 0.000 -1.134) 1.252 3.209 ( -2.061 0.000 -4.866) 5.284 3.419 ( 0.054 0.000 -4.554) 4.554 3.473 ( -0.072 0.000 -1.580) 1.581 3.497 ( -3.358 0.000 4.131) 5.324 3.502 ( -1.061 0.000 8.009) 8.079 3.610 ( -2.541 0.000 -5.600) 6.149 3.685 ( -4.492 0.000 3.294) 5.571 3.722 ( 4.601 0.000 1.452) 4.825 3.919 ( 0.969 0.000 0.399) 1.047 3.935 ( 2.116 0.000 -9.284) 9.522 4.037 ( -0.988 0.000 1.112) 1.487 4.090 ( -2.512 0.000 -2.302) 3.407 4.149 ( -2.936 0.000 4.423) 5.308 4.290 ( -4.143 0.000 -7.429) 8.506 4.355 ( 0.155 0.000 6.597) 6.598 4.472 ( 0.592 0.000 -1.441) 1.558 4.550 ( 1.706 0.000 -0.038) 1.706 4.636 ( 0.516 0.000 0.827) 0.975 4.641 ( -3.403 0.000 -0.560) 3.449 4.680 ( -5.428 0.000 5.882) 8.004 4.763 ( 2.301 0.000 -12.299) 12.513 4.816 ( 7.493 0.000 13.497) 15.438 4.965 ( 3.639 0.000 3.509) 5.055 5.020 ( 2.440 0.000 5.766) 6.261 5.047 ( 4.257 0.000 -1.622) 4.555 5.106 ( -3.874 0.000 -9.766) 10.506 5.178 ( 0.289 0.000 -0.448) 0.533 5.229 ( 1.751 0.000 4.888) 5.192 5.308 ( 4.655 0.000 3.517) 5.834 5.312 ( -0.102 0.000 -1.035) 1.040 5.440 ( -0.709 0.000 -4.176) 4.235 5.505 ( 0.381 0.000 -4.153) 4.170 5.532 ( 4.701 0.000 0.400) 4.718 5.579 ( 0.063 0.000 -1.597) 1.599 5.774 ( -7.511 0.000 -0.451) 7.524 5.938 ( -1.693 0.000 -3.262) 3.675 5.940 ( -2.235 0.000 3.476) 4.132 5.979 ( 4.129 0.000 14.407) 14.987 6.133 ( 1.106 0.000 2.066) 2.344 6.153 ( 4.136 0.000 0.018) 4.136 6.172 ( -2.551 0.000 5.526) 6.086 6.329 ( -1.478 0.000 1.272) 1.950 6.541 ( 2.101 0.000 1.090) 2.367 6.585 ( -1.147 0.000 0.016) 1.147 6.598 ( 1.428 0.000 -2.244) 2.660 6.614 ( -2.308 0.000 1.179) 2.592 6.748 ( -0.784 0.000 -2.425) 2.548 6.804 ( 9.065 0.000 6.637) 11.235 6.914 ( 2.731 0.000 4.585) 5.337 7.136 ( -2.075 0.000 3.918) 4.434 8.200 ( 15.896 0.000 0.361) 15.900 8.286 ( 17.304 0.000 -1.824) 17.399 8.456 ( 13.357 0.000 2.535) 13.596 8.537 ( 15.882 0.000 -2.213) 16.035 8.544 ( -4.647 0.000 -1.582) 4.909 8.704 ( 1.108 0.000 0.628) 1.274 8.858 ( -1.852 0.000 2.865) 3.411 8.870 ( -7.377 0.000 1.491) 7.526 9.015 ( -0.116 0.000 -0.254) 0.279 9.062 ( -1.264 0.000 -2.699) 2.980 9.103 ( -7.471 0.000 1.616) 7.644 9.120 ( -1.342 0.000 0.389) 1.397 9.256 ( -5.441 0.000 -1.533) 5.653 9.287 ( -7.544 0.000 0.815) 7.588 9.399 ( -0.588 0.000 0.388) 0.704 9.435 ( 0.443 0.000 -1.499) 1.563 9.581 ( -1.351 0.000 2.780) 3.091 9.830 ( 4.703 0.000 -2.044) 5.128 10.036 ( 7.950 0.000 0.368) 7.959 10.091 ( 4.606 0.000 1.782) 4.939 10.149 ( 7.293 0.000 -2.377) 7.670 10.218 ( 5.761 0.000 -2.656) 6.344 10.307 ( 0.095 0.000 0.353) 0.366 10.403 ( 9.893 0.000 0.426) 9.903 10.667 ( 5.730 0.000 0.519) 5.753 10.684 ( 5.374 0.000 -1.427) 5.561 10.768 ( 4.089 0.000 1.089) 4.231 10.932 ( 5.134 0.000 0.615) 5.171 11.157 ( -12.632 0.000 0.103) 12.632 11.220 ( -8.289 0.000 -2.859) 8.769 11.333 ( -3.413 0.000 0.997) 3.556 11.417 ( -1.545 0.000 -0.254) 1.566 11.785 ( -0.981 0.000 2.425) 2.615 11.837 ( 2.232 0.000 -2.853) 3.622 11.879 ( -4.388 0.000 2.730) 5.168 11.946 ( 6.427 0.000 1.962) 6.720 11.997 ( 0.762 0.000 -0.797) 1.102 12.042 ( 1.715 0.000 1.414) 2.223 12.048 ( -3.698 0.000 -3.766) 5.278 12.198 ( 0.968 0.000 -0.611) 1.145 12.461 ( -5.308 0.000 0.177) 5.311 12.470 ( -4.089 0.000 -0.102) 4.090 12.734 ( -0.992 0.000 -0.504) 1.113 12.812 ( -0.281 0.000 0.344) 0.445 13.059 ( -1.738 0.000 0.607) 1.840 13.142 ( 2.030 0.000 -1.204) 2.360 13.369 ( -12.074 0.000 0.627) 12.090 13.773 ( -9.946 0.000 -12.006) 15.591 13.851 ( 6.749 0.000 -0.509) 6.768 13.858 ( 9.760 0.000 0.343) 9.766 14.061 ( 3.455 0.000 2.061) 4.023 14.102 ( -0.661 0.000 -0.605) 0.896 14.126 ( 3.502 0.000 2.017) 4.041 14.231 ( 6.873 0.000 -0.544) 6.895 14.492 ( -10.615 0.000 -0.043) 10.615 14.549 ( 0.556 0.000 -0.685) 0.883 14.669 ( -2.621 0.000 -0.722) 2.718 14.681 ( -13.443 0.000 -5.800) 14.641 14.901 ( -11.962 0.000 0.107) 11.962 14.951 ( -10.863 0.000 -1.010) 10.910 15.045 ( -12.734 0.000 1.704) 12.848 15.148 ( -11.268 0.000 -17.097) 20.476 15.403 ( 2.549 0.000 2.461) 3.543 15.532 ( 7.485 0.000 0.746) 7.522 15.585 ( 3.123 0.000 0.327) 3.141 15.624 ( 2.870 0.000 -0.428) 2.901 15.778 ( -9.687 0.000 -10.453) 14.252 16.002 ( 4.033 0.000 -4.721) 6.209 16.226 ( -1.938 0.000 0.111) 1.941 16.247 ( -3.238 0.000 0.474) 3.273 16.317 ( -4.303 0.000 1.299) 4.495 16.643 ( -11.098 0.000 -26.731) 28.943 17.030 ( -0.328 0.000 -1.071) 1.120 17.061 ( -0.524 0.000 1.181) 1.292 17.083 ( -0.997 0.000 -0.113) 1.003 17.149 ( -1.575 0.000 -1.284) 2.032 19.480 ( 0.416 0.000 2.211) 2.250 19.587 ( -3.202 0.000 -2.440) 4.026 19.711 ( -1.332 0.000 1.479) 1.990 19.775 ( -4.862 0.000 -1.480) 5.082 20.433 ( 4.689 0.000 2.546) 5.335 20.473 ( 4.793 0.000 0.218) 4.798 20.691 ( 4.263 0.000 -1.758) 4.612 20.691 ( 0.302 0.000 -1.227) 1.264 21.550 ( -6.900 0.000 0.097) 6.901 21.590 ( 1.016 0.000 3.378) 3.528 21.760 ( -7.917 0.000 1.369) 8.034 21.764 ( -5.715 0.000 0.587) 5.745 22.929 ( 8.059 0.000 -4.707) 9.333 22.942 ( 6.377 0.000 3.412) 7.232 23.090 ( 5.589 0.000 3.919) 6.826 23.127 ( 4.909 0.000 -0.597) 4.946 26.626 ( -7.592 0.000 -0.095) 7.593 26.646 ( -9.622 0.000 0.762) 9.652 26.679 ( -12.065 0.000 -0.815) 12.093 27.680 ( -35.159 0.000 -57.691) 67.560 28.995 ( 22.180 0.000 0.690) 22.191 29.053 ( 21.350 0.000 -1.166) 21.381 29.312 ( 19.224 0.000 2.196) 19.349 29.348 ( 10.925 0.000 -0.268) 10.929 29.673 ( -19.537 0.000 1.258) 19.577 29.743 ( -18.639 0.000 0.373) 18.643 30.008 ( -19.350 0.000 1.643) 19.420 30.293 ( -1.728 0.000 0.265) 1.748 30.310 ( -8.998 0.000 3.006) 9.486 30.408 ( 0.118 0.000 -0.736) 0.745 30.470 ( -6.368 0.000 -5.112) 8.166 31.205 ( 6.022 0.000 -0.037) 6.022 31.303 ( -5.306 0.000 -23.561) 24.151 31.398 ( 2.739 0.000 -0.649) 2.815 31.477 ( -9.056 0.000 -20.590) 22.494 31.776 ( 3.117 0.000 -0.581) 3.171 31.857 ( 6.602 0.000 -0.614) 6.630 31.894 ( -0.595 0.000 -17.828) 17.838 32.011 ( -0.799 0.000 0.013) 0.799 32.151 ( -9.902 0.000 2.250) 10.154 32.260 ( -6.367 0.000 2.010) 6.677 32.315 ( -11.354 0.000 0.080) 11.354 32.352 ( -15.273 0.000 -1.936) 15.395 33.049 ( 1.597 0.000 1.893) 2.477 33.106 ( 4.964 0.000 -1.833) 5.292 33.600 ( 4.091 0.000 -5.018) 6.474 33.724 ( 3.581 0.000 -7.444) 8.260 33.773 ( 8.897 0.000 -20.844) 22.663 34.010 ( 0.875 0.000 1.648) 1.866 34.073 ( 5.748 0.000 -13.410) 14.590 34.411 ( -1.793 0.000 2.239) 2.868 34.458 ( -0.509 0.000 4.154) 4.185 34.905 ( -4.142 0.000 -1.732) 4.489 35.062 ( -4.956 0.000 -0.938) 5.044 35.063 ( 1.586 0.000 -2.355) 2.839 35.164 ( -0.522 0.000 -1.118) 1.234 35.238 ( -0.302 0.000 0.943) 0.990 35.251 ( 2.204 0.000 15.855) 16.008 35.365 ( -0.302 0.000 0.758) 0.816 35.410 ( 2.709 0.000 8.163) 8.601 35.557 ( -15.342 0.000 20.081) 25.271 37.123 ( 43.399 0.000 77.556) 88.873 37.577 ( 7.936 0.000 -5.260) 9.521 38.233 ( 12.085 0.000 -2.025) 12.254 ======================= Grid point 54 (25/69) ======================= q-point: ( 0.00 0.25 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.577 ( -5.349 27.239 2.111) 27.839 1.009 ( 3.520 20.491 25.987) 33.280 1.078 ( 2.812 31.630 19.860) 37.454 1.370 ( -0.358 -3.530 -0.826) 3.643 1.507 ( 3.493 -10.410 17.701) 20.830 1.553 ( -5.218 4.178 3.115) 7.374 1.772 ( -0.805 2.789 -3.521) 4.563 1.881 ( -2.102 -1.030 -1.358) 2.706 2.057 ( -0.125 1.351 5.776) 5.933 2.150 ( 0.390 1.362 -2.611) 2.970 2.200 ( 5.178 1.721 0.963) 5.541 2.406 ( -2.985 -3.290 0.481) 4.468 2.420 ( 4.475 0.023 0.352) 4.489 2.468 ( 0.423 -8.842 -1.907) 9.055 2.489 ( 0.063 -2.709 5.160) 5.829 2.615 ( -2.096 -5.550 1.079) 6.030 2.666 ( 1.128 2.311 -3.425) 4.283 2.771 ( 4.715 -2.170 -3.486) 6.253 2.839 ( 2.508 1.337 0.397) 2.869 2.902 ( -0.283 0.653 -2.534) 2.632 2.921 ( -4.172 4.369 -4.819) 7.728 2.962 ( -1.081 2.781 3.136) 4.329 3.025 ( -4.631 0.588 -4.816) 6.707 3.088 ( -2.312 -3.129 3.058) 4.948 3.131 ( 1.400 -0.075 -0.310) 1.436 3.185 ( -0.084 -0.173 -0.828) 0.850 3.254 ( 4.644 4.743 0.847) 6.692 3.280 ( -0.856 -7.153 1.754) 7.415 3.404 ( 0.324 -2.150 -0.118) 2.178 3.457 ( 0.415 -4.295 0.138) 4.317 3.552 ( -2.357 0.246 -0.367) 2.398 3.580 ( -0.024 -1.476 4.093) 4.351 3.733 ( -0.728 5.789 6.463) 8.707 3.775 ( -1.160 3.157 5.650) 6.575 3.810 ( 6.612 -10.663 11.445) 16.983 3.881 ( -1.214 -6.432 3.000) 7.200 4.024 ( 4.495 -1.990 0.337) 4.927 4.046 ( -1.088 -0.105 9.526) 9.589 4.190 ( 1.467 1.546 7.595) 7.889 4.250 ( 0.237 3.911 -0.474) 3.947 4.359 ( -3.232 -1.747 -2.973) 4.726 4.450 ( -1.557 0.039 0.988) 1.845 4.499 ( -3.225 -5.161 0.623) 6.117 4.580 ( 3.265 -0.669 3.810) 5.063 4.628 ( 2.397 2.600 -5.103) 6.208 4.683 ( -1.169 1.692 -1.524) 2.560 4.739 ( 1.026 5.688 -8.147) 9.989 4.906 ( 0.081 -2.900 -4.957) 5.744 4.923 ( -0.714 -4.422 -6.064) 7.539 4.957 ( -3.028 -1.442 0.715) 3.429 5.099 ( -1.924 3.055 -1.423) 3.881 5.133 ( 3.134 4.073 -4.797) 7.030 5.170 ( 0.369 -2.971 -0.356) 3.015 5.248 ( 1.414 -0.110 -2.664) 3.018 5.319 ( -2.242 0.516 -4.837) 5.356 5.350 ( 2.657 -4.417 -0.371) 5.168 5.442 ( 2.720 1.116 -1.477) 3.290 5.507 ( 1.366 0.882 -4.899) 5.161 5.583 ( 1.508 -0.305 -1.719) 2.307 5.662 ( 0.900 -0.047 -3.643) 3.753 5.754 ( 2.551 2.977 1.516) 4.204 5.863 ( -3.012 0.263 1.844) 3.541 5.942 ( -2.296 -3.615 2.263) 4.844 5.972 ( -5.545 -3.948 1.533) 6.978 6.163 ( 2.244 -0.058 -3.293) 3.985 6.192 ( -2.340 -3.990 2.590) 5.301 6.216 ( 2.245 -2.327 3.442) 4.723 6.252 ( -3.185 -0.802 -1.830) 3.760 6.437 ( -2.254 -3.636 0.154) 4.281 6.556 ( 0.159 -5.887 2.219) 6.293 6.596 ( 2.669 0.479 2.761) 3.870 6.715 ( 1.936 -1.789 -1.818) 3.202 6.766 ( 0.520 3.779 -0.347) 3.831 6.874 ( 2.368 1.527 -1.742) 3.313 7.015 ( -3.839 -10.340 7.029) 13.079 7.092 ( 1.056 -5.607 1.654) 5.941 8.402 ( -2.422 4.376 -0.099) 5.002 8.444 ( 1.317 1.068 -1.357) 2.172 8.504 ( -0.446 -1.709 1.921) 2.610 8.600 ( 2.131 4.793 1.339) 5.414 8.635 ( 0.957 -4.540 -0.597) 4.678 8.739 ( 0.316 -1.287 -1.320) 1.870 8.761 ( -3.273 0.041 0.590) 3.326 8.785 ( 1.416 4.633 -0.345) 4.857 8.928 ( -1.969 -5.615 -0.414) 5.964 8.991 ( 1.439 -1.181 -3.834) 4.263 9.079 ( -0.223 -1.815 -1.282) 2.234 9.139 ( -0.286 -2.348 -1.860) 3.010 9.175 ( -0.474 2.351 2.693) 3.606 9.259 ( -1.519 2.615 1.444) 3.351 9.369 ( 1.488 -2.473 0.207) 2.894 9.412 ( -0.282 -3.018 0.207) 3.038 9.642 ( -0.768 4.251 3.074) 5.302 9.837 ( 2.305 -4.731 0.410) 5.279 10.110 ( 1.495 1.825 -2.232) 3.248 10.167 ( -2.339 3.634 -2.944) 5.230 10.193 ( 0.070 -0.843 -1.145) 1.424 10.264 ( -1.177 3.955 -0.778) 4.199 10.300 ( 2.469 -0.348 1.086) 2.720 10.442 ( -1.442 -3.028 -1.361) 3.620 10.700 ( -0.480 1.036 0.188) 1.157 10.748 ( -0.066 2.901 -1.102) 3.104 10.810 ( -0.384 -2.395 1.484) 2.844 10.925 ( -1.190 -2.976 -1.253) 3.441 11.071 ( -0.395 3.462 -0.105) 3.486 11.102 ( 0.984 4.201 -0.919) 4.412 11.289 ( 0.607 -4.632 1.069) 4.792 11.358 ( -0.042 -4.926 -0.511) 4.952 11.784 ( -1.983 1.175 0.936) 2.487 11.833 ( 1.218 -1.116 -0.691) 1.791 11.896 ( -0.163 1.566 0.741) 1.740 11.932 ( -1.963 -1.210 -0.174) 2.312 12.030 ( -2.375 2.202 0.905) 3.363 12.054 ( 0.534 0.848 0.981) 1.403 12.152 ( 2.274 5.916 -0.301) 6.345 12.255 ( 1.013 3.242 -1.128) 3.579 12.489 ( -0.768 5.877 -0.455) 5.945 12.553 ( 0.576 5.917 -2.496) 6.448 12.704 ( 0.052 -3.866 1.397) 4.111 12.767 ( 0.527 -3.831 -0.153) 3.870 13.079 ( -0.165 3.223 0.201) 3.233 13.124 ( 0.735 -1.546 -0.933) 1.949 13.179 ( 0.156 -1.958 0.984) 2.197 13.233 ( -0.907 -2.730 -0.274) 2.890 14.031 ( 0.331 10.383 0.590) 10.405 14.093 ( -0.563 2.315 -0.261) 2.397 14.111 ( -0.449 0.163 0.006) 0.478 14.153 ( 1.341 2.797 -1.142) 3.305 14.276 ( -0.778 -0.290 -0.241) 0.865 14.355 ( -8.183 3.690 -4.038) 9.843 14.422 ( 2.423 2.286 0.459) 3.362 14.495 ( 6.587 1.048 -0.151) 6.672 14.589 ( -0.792 -0.666 0.648) 1.221 14.708 ( 6.545 1.531 -5.759) 8.851 14.742 ( -3.667 -4.458 -0.673) 5.811 14.835 ( 2.341 -1.136 -2.398) 3.538 14.928 ( -3.890 7.281 1.727) 8.434 15.234 ( 6.740 24.979 -16.965) 30.939 15.396 ( 0.289 -3.551 2.638) 4.433 15.563 ( -2.380 -0.715 -0.980) 2.671 15.609 ( 0.679 0.472 -1.298) 1.539 15.632 ( 2.046 0.371 0.576) 2.158 15.687 ( -2.973 1.837 0.053) 3.495 15.965 ( 0.580 -3.920 -5.096) 6.456 16.217 ( -0.284 0.336 0.395) 0.591 16.227 ( 0.938 0.242 0.595) 1.137 16.239 ( -4.154 -0.678 -0.834) 4.291 16.286 ( -0.468 -2.004 0.037) 2.058 17.042 ( 0.331 1.088 0.253) 1.165 17.064 ( -0.322 0.661 -0.171) 0.755 17.093 ( 0.001 0.596 0.884) 1.066 17.137 ( 0.731 -0.906 0.220) 1.185 19.464 ( -0.685 1.030 0.371) 1.291 19.552 ( 1.170 0.718 -3.168) 3.453 19.674 ( -0.980 -3.510 1.700) 4.022 19.709 ( -0.524 -3.111 -0.127) 3.157 20.484 ( -2.119 0.947 1.478) 2.752 20.519 ( -0.111 -0.450 1.237) 1.321 20.698 ( 0.853 0.233 -0.929) 1.283 20.724 ( 1.482 -0.339 -1.530) 2.157 21.540 ( 1.246 1.878 0.704) 2.361 21.624 ( 2.694 -2.211 -0.258) 3.495 21.690 ( -3.160 -0.955 1.525) 3.636 21.711 ( -0.354 -0.854 0.296) 0.970 22.892 ( -1.339 -0.908 -1.182) 2.003 22.943 ( 1.911 -1.653 -4.094) 4.811 23.159 ( -1.696 -0.036 2.431) 2.964 23.173 ( -0.799 -0.648 1.060) 1.478 26.564 ( 0.497 0.151 -0.361) 0.632 26.569 ( -1.630 0.125 -0.739) 1.794 26.610 ( 1.396 0.925 -0.065) 1.676 26.623 ( 0.668 -0.029 -0.046) 0.670 29.326 ( 0.084 1.602 1.885) 2.475 29.370 ( -0.645 2.407 2.091) 3.253 29.461 ( 12.445 1.846 -1.275) 12.645 29.492 ( -8.159 2.169 0.947) 8.496 29.535 ( -3.218 0.322 -0.887) 3.353 29.793 ( -1.982 -4.014 7.443) 8.685 30.221 ( -2.313 13.804 -12.017) 18.447 30.278 ( -1.114 2.174 -1.099) 2.679 30.307 ( -1.849 -0.422 -0.831) 2.071 30.364 ( 0.481 2.388 -4.082) 4.754 30.429 ( 3.989 20.780 -15.159) 26.029 30.823 ( -0.035 -2.892 -4.688) 5.509 31.385 ( -1.276 0.694 -0.556) 1.555 31.431 ( 0.015 -0.558 1.762) 1.848 31.604 ( 1.586 28.927 -25.694) 38.723 31.895 ( 0.518 3.975 -2.185) 4.565 31.931 ( 4.128 -1.119 -1.941) 4.696 31.953 ( -0.990 6.023 -2.737) 6.690 31.997 ( 1.694 0.155 -1.025) 1.986 32.121 ( -6.861 0.197 -0.339) 6.872 32.140 ( -7.501 1.223 -1.963) 7.849 32.189 ( 5.087 0.063 -1.142) 5.214 32.239 ( 3.104 4.016 -5.681) 7.618 32.918 ( -2.844 -8.104 -27.439) 28.752 33.127 ( -0.181 2.944 0.249) 2.960 33.341 ( -1.069 -6.489 -24.398) 25.269 33.579 ( -0.555 2.723 -9.417) 9.818 33.700 ( -0.211 -2.652 -7.042) 7.528 34.224 ( 11.103 -0.000 6.884) 13.064 34.240 ( 12.648 -0.822 -0.409) 12.681 34.403 ( -1.416 2.725 -0.558) 3.121 34.481 ( -1.225 -0.935 2.796) 3.192 34.880 ( -2.971 2.040 1.940) 4.093 34.980 ( -3.077 -2.291 2.188) 4.416 35.074 ( 1.106 1.709 -1.749) 2.684 35.159 ( 1.347 -1.457 -0.840) 2.155 35.249 ( 0.111 0.533 2.117) 2.186 35.320 ( -0.313 -3.644 3.875) 5.328 35.386 ( 2.330 0.889 -1.024) 2.696 35.423 ( -0.329 -0.123 0.192) 0.400 35.988 ( -2.873 13.662 45.985) 48.057 37.111 ( -5.430 -44.977 42.935) 62.417 37.868 ( -0.986 1.341 -3.532) 3.905 38.225 ( 0.957 -8.646 -3.925) 9.543 ======================= Grid point 55 (26/69) ======================= q-point: ( 0.11 0.25 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.716 ( 16.836 11.306 9.864) 22.551 1.236 ( 6.590 17.390 7.309) 19.982 1.370 ( 11.066 0.695 -3.048) 11.499 1.513 ( 5.586 2.493 -3.251) 6.928 1.635 ( 12.776 7.378 30.276) 33.679 1.735 ( 3.613 10.330 -5.435) 12.219 1.829 ( 0.662 -5.381 -3.234) 6.313 1.865 ( 4.117 -7.202 22.412) 23.898 2.099 ( -0.867 -0.230 4.690) 4.775 2.199 ( 1.459 0.896 6.105) 6.340 2.266 ( -1.395 -2.853 0.144) 3.179 2.357 ( -0.292 0.667 -3.903) 3.970 2.386 ( -0.675 -0.407 -5.085) 5.146 2.502 ( -0.734 -7.171 -1.843) 7.440 2.547 ( 6.959 0.722 2.342) 7.378 2.648 ( 2.613 4.904 3.897) 6.787 2.722 ( 3.844 -3.755 -0.413) 5.389 2.773 ( -0.786 -4.420 -0.486) 4.516 2.827 ( -1.195 0.979 -2.564) 2.994 2.849 ( 4.041 1.399 1.283) 4.465 2.864 ( 5.385 2.736 -6.140) 8.613 2.942 ( 1.608 -2.571 -5.595) 6.364 3.050 ( -7.780 -5.168 -0.505) 9.354 3.093 ( 1.336 -2.659 -1.810) 3.482 3.140 ( 7.524 4.822 -0.903) 8.983 3.175 ( 2.485 0.588 -0.227) 2.564 3.241 ( 0.228 3.037 -0.810) 3.151 3.348 ( 3.479 -3.898 2.568) 5.822 3.429 ( -0.724 5.769 2.578) 6.360 3.457 ( 0.077 1.771 -1.000) 2.036 3.558 ( 5.193 -1.263 -5.316) 7.538 3.654 ( 1.021 -1.948 8.189) 8.480 3.721 ( -6.035 -3.209 5.084) 8.519 3.862 ( 2.362 1.866 6.940) 7.565 3.951 ( 3.446 3.084 5.318) 7.048 3.969 ( 2.784 -3.630 3.860) 5.986 4.061 ( 1.539 -1.556 -4.151) 4.692 4.157 ( 1.806 -0.763 7.639) 7.887 4.217 ( -1.364 -3.565 -1.207) 4.004 4.259 ( -1.850 -1.911 -2.022) 3.341 4.347 ( 1.763 7.298 7.178) 10.387 4.413 ( -2.224 2.204 -5.330) 6.182 4.447 ( -1.718 2.257 1.950) 3.443 4.585 ( -4.895 0.725 -1.877) 5.292 4.610 ( 0.168 0.687 -1.804) 1.938 4.658 ( -0.762 -3.073 1.334) 3.436 4.722 ( 5.097 3.813 -7.989) 10.215 4.840 ( -0.016 0.988 -6.595) 6.669 4.867 ( 2.006 -3.171 -5.891) 6.985 4.890 ( -5.633 -4.550 0.299) 7.248 5.039 ( -0.797 3.444 -3.478) 4.959 5.109 ( -3.101 -6.462 -1.972) 7.434 5.140 ( -0.440 6.022 -0.700) 6.079 5.232 ( 1.282 0.205 -4.883) 5.052 5.283 ( 1.984 -3.939 -1.347) 4.611 5.354 ( -0.605 -2.695 0.992) 2.935 5.443 ( 0.816 1.591 -6.661) 6.897 5.514 ( 4.384 -2.348 -0.013) 4.973 5.565 ( -1.899 -3.457 -1.344) 4.167 5.596 ( -3.517 -2.973 -3.268) 5.647 5.817 ( 0.586 -0.553 2.207) 2.349 5.897 ( 1.004 -0.827 2.658) 2.960 5.916 ( 2.939 -0.764 0.782) 3.136 5.980 ( 0.694 -0.030 6.340) 6.378 6.096 ( -1.441 0.163 -4.937) 5.146 6.138 ( -3.367 -3.678 -0.449) 5.007 6.238 ( 0.041 -0.294 1.196) 1.232 6.278 ( -0.605 2.122 2.825) 3.584 6.415 ( -1.442 -4.823 0.577) 5.067 6.562 ( -2.144 -6.298 1.431) 6.805 6.644 ( 0.774 0.170 0.578) 0.981 6.711 ( 0.630 5.988 -1.722) 6.262 6.770 ( 0.820 -3.414 0.257) 3.521 6.891 ( 2.218 3.165 -2.438) 4.569 6.972 ( -7.888 -8.373 5.560) 12.777 7.109 ( -2.328 -4.684 1.785) 5.527 8.230 ( -15.382 4.839 -0.232) 16.127 8.288 ( -17.138 0.827 -0.902) 17.181 8.354 ( -16.761 -2.414 1.622) 17.011 8.514 ( -12.535 -7.766 -0.658) 14.760 8.682 ( 1.575 4.205 -3.775) 5.867 8.717 ( 3.969 4.075 2.816) 6.347 8.813 ( 2.017 3.405 2.034) 4.450 8.859 ( 3.195 0.831 -0.756) 3.386 8.967 ( 8.360 -4.451 -1.033) 9.527 9.001 ( 4.129 -1.958 -1.530) 4.819 9.083 ( 2.154 -2.390 -1.691) 3.635 9.126 ( 1.760 -4.019 -1.654) 4.689 9.211 ( 0.694 3.294 2.895) 4.440 9.283 ( 2.874 1.216 0.030) 3.120 9.402 ( 2.915 -0.686 0.325) 3.012 9.432 ( 1.661 -2.918 0.715) 3.433 9.682 ( 1.089 4.743 3.220) 5.835 9.874 ( 0.409 -4.389 1.884) 4.793 10.040 ( -4.872 1.371 -5.401) 7.402 10.054 ( -4.772 -0.345 -3.033) 5.665 10.131 ( -8.055 2.188 1.221) 8.436 10.206 ( -6.666 0.968 0.843) 6.789 10.301 ( -5.445 -0.262 0.502) 5.475 10.325 ( -7.923 -0.746 -1.680) 8.133 10.655 ( -5.317 2.429 0.023) 5.846 10.688 ( -5.197 3.726 -1.053) 6.481 10.798 ( -3.562 -3.593 1.869) 5.393 10.853 ( -5.012 -2.670 -1.077) 5.780 11.167 ( 10.443 1.520 -0.473) 10.563 11.197 ( 10.508 1.095 -0.481) 10.575 11.331 ( 3.389 -2.657 0.866) 4.393 11.373 ( 3.039 -3.655 -0.317) 4.764 11.777 ( 0.963 3.107 -0.014) 3.253 11.842 ( -1.420 0.038 0.915) 1.689 11.895 ( -1.960 -0.781 0.556) 2.182 11.928 ( 3.069 -1.729 -0.217) 3.529 11.996 ( -3.739 3.045 2.023) 5.229 12.024 ( -3.943 1.997 0.190) 4.424 12.171 ( -0.111 2.615 -0.126) 2.621 12.234 ( -0.670 2.266 -2.006) 3.100 12.498 ( 2.018 5.299 0.230) 5.675 12.552 ( 3.022 7.189 -1.407) 7.925 12.724 ( 0.867 -4.396 0.824) 4.556 12.783 ( 1.459 -2.457 -0.141) 2.862 13.094 ( 1.966 3.818 0.145) 4.297 13.133 ( 1.805 0.923 -0.590) 2.111 13.295 ( 9.025 -4.607 -0.217) 10.136 13.331 ( 12.969 -7.395 -0.729) 14.947 13.983 ( -8.727 6.034 -0.802) 10.640 14.011 ( -7.456 9.885 0.385) 12.387 14.057 ( -3.031 -0.100 0.276) 3.045 14.150 ( -2.280 1.143 0.494) 2.598 14.201 ( -1.488 4.134 0.302) 4.404 14.271 ( -1.109 7.086 -2.113) 7.477 14.498 ( 5.702 -0.988 -0.337) 5.797 14.597 ( 3.015 -0.684 0.361) 3.113 14.663 ( 7.818 0.606 1.234) 7.938 14.767 ( 10.413 5.616 -4.368) 12.612 14.865 ( 14.407 -3.605 -1.954) 14.979 14.919 ( 10.615 -2.408 -1.804) 11.034 14.986 ( 8.971 6.444 0.614) 11.062 15.208 ( 8.122 12.793 -7.931) 17.103 15.402 ( -5.266 -6.019 3.940) 8.915 15.508 ( -4.482 -0.243 -0.430) 4.509 15.585 ( -0.388 1.287 -0.242) 1.366 15.624 ( -1.001 0.326 -0.812) 1.329 15.682 ( -1.162 -2.997 2.804) 4.266 15.865 ( -3.478 -6.635 -6.978) 10.238 16.242 ( 3.418 0.129 0.014) 3.420 16.267 ( 4.317 -0.483 0.106) 4.345 16.279 ( 4.139 0.415 0.977) 4.273 16.318 ( 4.691 -1.085 -1.989) 5.209 17.048 ( 0.160 0.912 0.146) 0.937 17.059 ( -0.077 1.063 -0.060) 1.068 17.106 ( 0.436 0.389 0.688) 0.903 17.155 ( 1.319 -1.098 -0.038) 1.717 19.474 ( 1.858 1.557 0.277) 2.440 19.560 ( 4.106 -0.242 -3.298) 5.272 19.686 ( 0.372 -2.921 1.694) 3.397 19.713 ( 1.072 -3.123 0.073) 3.303 20.424 ( -7.234 1.795 1.307) 7.567 20.494 ( -5.112 -1.142 1.726) 5.515 20.673 ( -2.226 0.627 -2.167) 3.169 20.707 ( -1.849 -0.708 -0.963) 2.201 21.625 ( 7.453 1.435 0.965) 7.651 21.678 ( 5.690 0.532 -2.078) 6.081 21.707 ( 3.934 -1.849 1.904) 4.745 21.754 ( 5.149 -1.044 0.669) 5.296 22.831 ( -4.617 0.422 -1.528) 4.881 22.894 ( -2.690 -2.007 -2.882) 4.424 23.097 ( -8.986 -0.318 2.330) 9.289 23.125 ( -6.669 -2.115 1.797) 7.223 26.624 ( 9.008 0.753 -0.420) 9.049 26.640 ( 9.623 0.821 0.337) 9.664 26.722 ( 13.040 0.131 0.560) 13.052 26.830 ( 22.611 -5.518 -6.878) 24.269 29.093 ( -22.957 6.228 0.237) 23.787 29.175 ( -21.525 7.430 -1.471) 22.819 29.312 ( -17.684 -3.644 2.272) 18.198 29.352 ( -12.606 -2.640 0.704) 12.898 29.788 ( 20.259 7.122 1.021) 21.499 29.937 ( 11.508 14.884 -5.572) 19.622 30.182 ( 10.458 0.955 6.161) 12.175 30.293 ( 1.715 -0.794 0.545) 1.967 30.304 ( 3.318 0.252 -0.804) 3.423 30.361 ( 1.747 -0.877 -1.187) 2.287 30.440 ( 7.046 9.341 -4.934) 12.698 30.828 ( 7.075 -5.085 -7.894) 11.757 31.325 ( -4.775 2.495 -1.555) 5.608 31.382 ( -3.614 8.061 -1.701) 8.996 31.476 ( -5.579 2.219 -0.578) 6.032 31.779 ( -10.489 -1.452 -6.223) 12.282 31.848 ( -5.813 2.535 -0.499) 6.361 31.891 ( -3.929 3.677 -1.362) 5.550 32.025 ( 1.540 -3.433 2.162) 4.340 32.142 ( 8.732 1.374 0.946) 8.890 32.187 ( 11.126 -2.282 -7.927) 13.851 32.291 ( 7.830 -3.798 -2.285) 8.997 32.346 ( 12.236 1.875 -1.015) 12.420 32.553 ( 5.154 -7.363 -23.059) 24.749 33.142 ( -0.884 1.072 2.626) 2.972 33.201 ( -0.848 -1.450 -4.136) 4.464 33.461 ( -3.090 1.824 -5.738) 6.767 33.584 ( -3.724 -3.260 -7.572) 9.046 34.286 ( -4.156 2.241 -3.147) 5.675 34.384 ( 2.723 -2.252 0.089) 3.535 34.465 ( 4.742 1.199 0.233) 4.897 34.478 ( 4.636 0.835 2.019) 5.125 34.863 ( -1.998 2.651 1.905) 3.828 34.980 ( -0.757 -2.354 2.592) 3.582 35.080 ( 1.636 1.763 -1.073) 2.634 35.175 ( 2.259 -2.228 -1.625) 3.565 35.280 ( 0.577 0.787 2.357) 2.551 35.343 ( -1.437 -2.731 2.972) 4.284 35.403 ( 2.373 0.714 -2.136) 3.272 35.428 ( 0.237 0.228 0.707) 0.780 36.428 ( -1.576 13.385 36.662) 39.061 37.244 ( -11.108 -17.325 11.688) 23.668 37.700 ( -16.612 -0.146 2.515) 16.802 38.102 ( -9.999 -10.369 -5.324) 15.357 ======================= Grid point 56 (27/69) ======================= q-point: ( 0.22 0.25 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.196 ( 22.310 0.366 15.086) 26.934 1.378 ( 9.663 -0.526 3.372) 10.248 1.561 ( 6.066 2.573 0.774) 6.635 1.662 ( 16.166 6.885 -5.555) 18.429 1.701 ( 7.448 9.534 -8.396) 14.726 1.812 ( 6.818 -4.590 -5.896) 10.115 2.006 ( -2.182 -4.933 -2.846) 6.099 2.068 ( 5.867 0.235 9.708) 11.345 2.199 ( -2.546 -0.728 7.105) 7.583 2.238 ( 1.442 -4.618 11.744) 12.701 2.269 ( -1.023 0.257 -5.118) 5.225 2.292 ( 4.081 2.381 7.257) 8.660 2.372 ( 2.024 -3.665 -4.170) 5.909 2.537 ( 5.082 -1.451 0.770) 5.341 2.598 ( -2.249 -1.391 -2.126) 3.393 2.679 ( 0.820 2.804 -2.251) 3.688 2.719 ( -2.285 -4.696 1.941) 5.571 2.818 ( 0.777 3.381 -1.142) 3.653 2.864 ( 4.803 2.608 0.051) 5.466 2.882 ( 7.570 1.341 -3.000) 8.253 2.927 ( 3.481 0.969 0.070) 3.614 2.964 ( 3.100 0.440 -1.430) 3.443 2.983 ( 2.913 -1.643 3.525) 4.859 3.072 ( 0.039 -1.946 0.366) 1.981 3.160 ( 0.844 4.041 -4.554) 6.146 3.227 ( 5.555 0.968 -1.533) 5.843 3.325 ( 3.380 0.504 -1.314) 3.662 3.388 ( 2.226 4.304 2.316) 5.370 3.461 ( 1.787 5.328 0.597) 5.652 3.493 ( 1.489 -3.648 0.628) 3.990 3.594 ( 7.532 2.285 1.049) 7.941 3.671 ( 1.955 3.329 -3.687) 5.338 3.768 ( -0.646 -1.389 4.806) 5.044 3.887 ( -4.556 -2.083 -4.397) 6.665 3.967 ( 1.197 -5.826 -5.245) 7.930 4.035 ( 1.368 -4.048 -4.881) 6.487 4.050 ( 3.464 5.176 5.654) 8.412 4.210 ( -0.156 2.374 3.655) 4.361 4.280 ( 2.653 4.518 -5.275) 7.435 4.289 ( 2.869 -0.315 5.061) 5.826 4.303 ( -0.739 -2.523 6.766) 7.259 4.431 ( -3.540 5.654 -1.623) 6.865 4.438 ( -0.325 1.890 3.233) 3.759 4.527 ( -4.221 -5.200 8.393) 10.738 4.548 ( -3.331 -4.061 -3.331) 6.219 4.608 ( -1.813 0.184 -5.990) 6.261 4.698 ( 1.053 -1.569 -4.320) 4.715 4.774 ( 0.458 -1.004 -4.779) 4.905 4.805 ( -4.184 2.476 -2.185) 5.330 4.854 ( 0.081 -0.261 3.041) 3.053 4.991 ( -3.725 0.294 2.138) 4.305 5.086 ( 1.715 -4.575 -2.034) 5.292 5.161 ( 0.913 3.735 0.009) 3.845 5.203 ( -5.386 -2.739 0.633) 6.076 5.220 ( -0.285 4.687 -1.837) 5.043 5.382 ( 2.249 -0.909 -3.708) 4.431 5.432 ( 5.749 -0.760 -2.936) 6.500 5.489 ( -4.903 -1.549 -0.514) 5.167 5.521 ( -0.796 -2.676 -5.756) 6.397 5.531 ( -3.052 -6.500 -1.198) 7.280 5.853 ( 5.148 -2.337 1.126) 5.765 5.898 ( 1.413 -2.446 -1.446) 3.174 6.005 ( 2.414 0.405 1.815) 3.047 6.080 ( 1.074 0.811 4.682) 4.871 6.096 ( -0.026 -0.110 -0.696) 0.705 6.160 ( 6.400 0.368 5.978) 8.766 6.236 ( 0.214 0.627 -0.833) 1.064 6.288 ( -0.852 4.866 2.966) 5.762 6.408 ( 0.713 -5.964 0.513) 6.029 6.551 ( -0.087 -5.781 0.161) 5.784 6.631 ( -2.233 2.675 -1.941) 3.989 6.707 ( 0.967 2.575 0.240) 2.761 6.787 ( 0.785 -3.691 -0.313) 3.787 6.878 ( 0.084 -1.061 -3.246) 3.416 6.925 ( -2.447 -2.030 2.454) 4.016 7.073 ( -3.540 -1.648 1.186) 4.081 7.958 ( -18.992 3.051 -0.933) 19.258 7.975 ( -20.041 3.493 -0.829) 20.360 8.083 ( -20.575 -3.754 1.137) 20.946 8.276 ( -16.280 -8.447 -0.523) 18.348 8.684 ( 3.117 5.726 -2.932) 7.148 8.765 ( 0.134 2.852 1.170) 3.085 8.834 ( -1.840 2.135 2.890) 4.037 8.906 ( 4.135 -1.143 -1.530) 4.554 9.064 ( 3.403 -2.623 0.469) 4.322 9.072 ( 6.618 -4.285 -1.719) 8.070 9.104 ( 2.224 -1.918 -0.710) 3.021 9.152 ( 2.030 -4.880 0.079) 5.286 9.268 ( 2.906 3.390 2.663) 5.199 9.341 ( 4.481 1.041 0.551) 4.633 9.455 ( 0.819 -0.037 -0.293) 0.871 9.474 ( 5.147 -0.565 0.733) 5.229 9.719 ( -0.598 4.079 1.142) 4.278 9.848 ( -7.324 -1.160 1.350) 7.537 9.925 ( -2.244 -0.759 -4.883) 5.427 9.934 ( -8.094 -1.599 -1.008) 8.312 10.013 ( -8.054 2.587 2.212) 8.744 10.083 ( -8.923 1.653 1.361) 9.176 10.175 ( -7.191 -1.799 0.594) 7.437 10.212 ( -7.148 -0.733 -1.121) 7.273 10.553 ( -7.052 2.644 0.273) 7.536 10.596 ( -4.932 3.939 -0.775) 6.359 10.732 ( -5.471 -3.776 0.335) 6.656 10.773 ( -5.555 -2.816 0.203) 6.232 11.334 ( 10.781 -0.274 -0.305) 10.788 11.357 ( 9.059 -1.753 0.113) 9.228 11.418 ( 6.667 0.013 -0.188) 6.670 11.449 ( 6.217 -0.774 1.076) 6.356 11.796 ( -0.127 3.734 -0.786) 3.818 11.811 ( -2.566 1.438 1.858) 3.479 11.852 ( -3.244 -1.313 -0.278) 3.510 11.951 ( -4.461 2.341 -0.088) 5.038 11.969 ( -1.904 1.563 2.000) 3.173 11.996 ( 3.053 -1.202 0.643) 3.343 12.149 ( 1.062 0.551 -2.130) 2.443 12.221 ( 0.093 -2.621 -1.006) 2.809 12.555 ( 3.853 4.604 1.374) 6.159 12.606 ( 4.587 5.184 -0.461) 6.937 12.746 ( 1.136 -3.113 0.144) 3.317 12.800 ( 0.875 -2.707 -0.547) 2.898 13.139 ( 3.761 5.734 -0.172) 6.859 13.175 ( 4.083 4.966 -0.062) 6.429 13.453 ( 8.587 -9.193 0.656) 12.597 13.495 ( 8.120 -9.014 -0.306) 12.136 13.871 ( -3.437 7.792 -0.679) 8.543 13.903 ( -3.502 9.080 0.383) 9.739 14.040 ( -0.549 -2.543 0.680) 2.689 14.069 ( -4.386 -1.393 -0.764) 4.665 14.229 ( -1.499 11.063 2.122) 11.364 14.265 ( 1.880 10.496 -1.384) 10.753 14.548 ( 1.238 -2.074 -0.348) 2.441 14.600 ( -2.478 -1.011 -0.426) 2.710 14.794 ( 7.858 3.830 0.928) 8.791 14.890 ( 9.647 3.694 -2.984) 10.753 15.072 ( 9.615 -1.475 -0.293) 9.731 15.085 ( 13.265 -3.022 0.048) 13.605 15.171 ( 11.031 0.923 0.934) 11.109 15.264 ( 4.124 1.353 -1.414) 4.565 15.342 ( -4.127 -4.728 1.383) 6.427 15.401 ( -6.521 -3.068 -1.113) 7.292 15.621 ( 5.732 0.961 -3.933) 7.018 15.651 ( 6.523 1.186 1.045) 6.712 15.708 ( 0.255 -2.961 1.667) 3.408 15.745 ( -1.727 -3.709 -3.835) 5.608 16.281 ( 0.751 0.501 0.567) 1.066 16.314 ( 2.074 -0.723 -1.776) 2.824 16.361 ( 4.132 0.164 0.400) 4.155 16.373 ( 2.917 0.095 1.410) 3.241 17.055 ( 0.923 0.923 -0.028) 1.306 17.066 ( 0.773 0.830 0.586) 1.277 17.121 ( 0.877 0.296 0.139) 0.936 17.171 ( 1.464 -1.234 -1.041) 2.180 19.535 ( 5.540 0.656 0.696) 5.621 19.591 ( 4.720 -1.422 -3.486) 6.038 19.745 ( 5.144 -1.232 1.824) 5.595 19.751 ( 3.929 -1.552 0.068) 4.225 20.307 ( -9.748 2.349 1.972) 10.219 20.406 ( -8.739 -1.754 1.728) 9.079 20.584 ( -5.529 1.310 -2.521) 6.216 20.644 ( -4.884 -1.223 -0.963) 5.126 21.756 ( 9.450 0.957 -1.285) 9.584 21.772 ( 9.211 1.558 -1.376) 9.443 21.842 ( 9.939 -1.333 1.891) 10.205 21.881 ( 9.729 -0.774 1.024) 9.813 22.719 ( -7.474 1.122 -1.472) 7.699 22.808 ( -5.585 -2.465 -1.019) 6.190 22.953 ( -12.387 -0.307 2.045) 12.558 23.011 ( -10.084 -2.908 1.072) 10.550 26.817 ( 15.662 1.675 -0.068) 15.751 26.857 ( 16.536 2.860 0.742) 16.798 27.003 ( 20.656 -3.259 2.315) 21.040 27.090 ( 21.970 -5.326 -7.651) 23.866 28.733 ( -23.325 7.140 0.421) 24.397 28.808 ( -22.510 7.382 -1.234) 23.722 29.020 ( -22.748 -4.024 1.922) 23.181 29.103 ( -19.064 -5.410 -0.849) 19.834 30.068 ( 13.147 8.850 -0.344) 15.852 30.103 ( 13.822 8.486 1.504) 16.289 30.301 ( 3.451 -1.364 -1.158) 3.887 30.360 ( 2.693 -1.694 0.184) 3.187 30.419 ( 9.232 0.635 1.455) 9.368 30.445 ( 8.308 1.936 0.188) 8.533 30.556 ( 11.049 2.624 3.678) 11.937 30.840 ( 5.619 -5.378 -7.475) 10.788 31.197 ( -9.198 3.361 -1.700) 9.939 31.288 ( -8.690 4.697 0.349) 9.884 31.370 ( -8.927 -3.244 3.153) 10.008 31.506 ( -10.698 -3.340 -9.454) 14.662 31.803 ( 0.494 3.109 0.091) 3.149 31.852 ( 0.341 3.491 -0.152) 3.511 32.090 ( 1.426 -4.839 -6.520) 8.244 32.120 ( 4.375 -5.739 -1.638) 7.400 32.376 ( 13.285 1.177 3.790) 13.866 32.439 ( 11.590 -1.613 0.421) 11.709 32.557 ( 14.731 1.497 0.707) 14.824 32.614 ( 14.213 -0.765 -4.349) 14.883 33.149 ( -1.166 0.877 1.525) 2.111 33.165 ( -1.049 0.220 -0.748) 1.307 33.372 ( -4.609 0.029 0.529) 4.640 33.436 ( -5.323 -2.402 -5.784) 8.219 34.149 ( -5.903 3.470 -5.808) 8.978 34.283 ( -6.895 -2.256 -6.242) 9.570 34.556 ( 6.027 1.488 0.453) 6.225 34.609 ( 5.028 -0.792 2.623) 5.726 34.860 ( -1.505 3.534 2.386) 4.522 35.005 ( -0.214 -2.250 2.878) 3.660 35.098 ( 2.123 1.249 -0.996) 2.657 35.188 ( 2.032 -2.919 -2.063) 4.112 35.315 ( 1.088 0.284 1.308) 1.725 35.348 ( -0.851 -1.351 1.450) 2.157 35.412 ( 2.296 0.833 -2.641) 3.597 35.441 ( 0.325 -0.004 0.761) 0.827 36.730 ( -3.863 9.681 25.107) 27.184 37.104 ( -8.255 1.457 -8.099) 11.656 37.492 ( -19.642 -4.824 11.677) 23.355 37.817 ( -16.276 -10.838 -7.939) 21.105 ======================= Grid point 57 (28/69) ======================= q-point: ( 0.33 0.25 -0.80) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.456 ( 1.233 7.527 -5.137) 9.195 1.585 ( 9.228 -3.237 1.693) 9.925 1.662 ( 2.026 5.291 -1.623) 5.893 1.739 ( 10.047 -2.127 -0.267) 10.273 1.802 ( 10.946 -6.137 -1.025) 12.591 1.826 ( 2.451 3.231 -1.686) 4.392 2.073 ( 3.368 -3.906 -3.378) 6.166 2.104 ( 3.398 2.398 1.349) 4.372 2.189 ( 0.097 -4.559 4.379) 6.322 2.297 ( 1.252 -0.562 -2.691) 3.021 2.325 ( 5.966 -1.404 -0.729) 6.172 2.380 ( 4.207 -0.542 0.368) 4.257 2.490 ( 5.038 -1.899 -1.495) 5.588 2.525 ( 5.114 0.894 2.006) 5.565 2.600 ( 0.713 3.077 -6.898) 7.587 2.676 ( 3.639 -1.435 2.427) 4.603 2.766 ( 4.652 -0.297 -1.664) 4.950 2.825 ( 0.642 2.125 -3.262) 3.946 2.885 ( 3.512 -1.436 -0.002) 3.794 2.918 ( -2.409 2.149 -1.284) 3.474 2.972 ( 0.116 -1.856 4.312) 4.696 2.987 ( 0.602 0.979 -1.149) 1.626 3.035 ( 1.961 0.526 4.229) 4.691 3.122 ( -1.463 6.585 0.057) 6.746 3.191 ( 3.234 -2.399 -1.160) 4.190 3.262 ( 4.478 0.504 0.275) 4.514 3.355 ( 4.526 5.957 0.431) 7.494 3.438 ( 3.230 4.797 1.201) 5.906 3.457 ( -2.455 -1.622 -2.345) 3.763 3.572 ( 4.849 1.777 5.529) 7.566 3.638 ( 2.374 1.495 -5.646) 6.305 3.642 ( -5.240 -1.413 -3.411) 6.410 3.796 ( 1.517 -0.081 -0.567) 1.621 3.927 ( 1.811 -5.995 -2.116) 6.610 3.934 ( 10.917 3.626 2.805) 11.841 4.000 ( 4.137 -0.705 -6.974) 8.139 4.135 ( -1.919 5.576 -2.423) 6.375 4.173 ( 1.341 -0.400 1.189) 1.836 4.233 ( 1.299 1.536 -3.626) 4.147 4.316 ( -1.884 -2.167 -1.408) 3.198 4.403 ( -0.384 -2.231 5.215) 5.685 4.434 ( -2.073 -3.758 -4.495) 6.215 4.454 ( -2.939 -0.754 2.758) 4.101 4.495 ( 2.731 1.027 2.923) 4.130 4.525 ( -2.176 -0.458 0.813) 2.368 4.578 ( -0.841 -3.408 6.985) 7.817 4.666 ( -0.219 -3.458 -1.467) 3.763 4.716 ( -4.424 -3.742 -0.141) 5.796 4.799 ( 1.320 5.807 4.649) 7.555 4.923 ( -0.096 4.379 4.226) 6.086 4.956 ( -3.482 2.884 2.032) 4.957 5.064 ( -2.993 -5.175 -0.526) 6.001 5.099 ( -1.139 5.950 -1.340) 6.204 5.177 ( -0.599 5.097 0.731) 5.184 5.239 ( -1.800 5.121 1.908) 5.753 5.360 ( 0.459 -1.681 -3.449) 3.865 5.388 ( -4.686 -0.438 -1.881) 5.069 5.430 ( -0.732 -5.248 -2.164) 5.723 5.475 ( -0.781 -4.755 -1.878) 5.172 5.517 ( 4.742 -3.931 -0.642) 6.193 5.936 ( 3.316 -0.732 1.054) 3.556 5.976 ( 4.955 -3.784 -0.320) 6.243 6.043 ( 2.281 -0.841 0.898) 2.592 6.086 ( 1.010 -0.372 1.175) 1.593 6.127 ( 1.169 1.445 0.167) 1.866 6.223 ( 0.027 1.365 -0.910) 1.641 6.262 ( 2.731 1.262 -1.094) 3.202 6.364 ( 2.498 1.279 4.278) 5.117 6.462 ( 2.818 -4.591 1.154) 5.510 6.545 ( -0.610 -5.982 -0.879) 6.077 6.572 ( -1.818 2.665 -0.824) 3.329 6.677 ( -4.872 -0.817 -0.432) 4.959 6.816 ( 3.840 -1.693 -0.361) 4.212 6.899 ( 6.690 -3.653 -0.330) 7.629 6.954 ( 4.130 2.130 0.191) 4.651 7.057 ( -0.321 -0.175 2.175) 2.205 7.635 ( -19.962 1.394 -0.355) 20.014 7.693 ( -15.483 5.088 -1.812) 16.398 7.758 ( -21.025 -1.925 0.627) 21.123 8.025 ( -15.344 -7.685 -0.035) 17.161 8.707 ( 3.107 5.561 -1.956) 6.664 8.770 ( 0.398 2.770 -0.559) 2.853 8.839 ( -1.623 0.692 2.695) 3.221 8.936 ( 1.915 -1.799 -1.411) 2.982 9.104 ( 1.843 -2.582 -0.136) 3.175 9.127 ( 1.531 -3.251 -0.207) 3.599 9.132 ( 2.436 -2.605 -0.516) 3.604 9.187 ( 1.763 -3.686 1.041) 4.217 9.337 ( 1.054 3.181 2.408) 4.127 9.418 ( 1.700 -1.128 3.053) 3.672 9.481 ( 5.313 2.219 -1.394) 5.924 9.549 ( 3.486 -1.297 0.102) 3.721 9.674 ( -5.155 1.043 -0.361) 5.272 9.697 ( -11.598 1.646 -0.131) 11.715 9.813 ( -4.992 1.126 -0.845) 5.187 9.844 ( -3.578 -1.824 -1.859) 4.425 9.914 ( -4.527 0.487 -2.998) 5.451 10.020 ( -2.915 3.610 0.897) 4.726 10.036 ( -8.521 -1.870 -0.173) 8.725 10.165 ( -1.899 -3.123 2.759) 4.580 10.472 ( -3.939 2.547 1.068) 4.811 10.528 ( -2.684 3.263 -0.485) 4.253 10.656 ( -5.290 -3.305 0.167) 6.240 10.689 ( -3.869 -2.412 -0.451) 4.582 11.454 ( 4.888 -0.760 -0.095) 4.948 11.486 ( 6.705 -1.264 0.015) 6.823 11.504 ( 5.109 0.766 0.220) 5.171 11.551 ( 4.500 -0.555 0.330) 4.546 11.759 ( -2.100 0.877 -0.202) 2.285 11.768 ( -3.050 0.360 -0.733) 3.158 11.847 ( 0.366 4.476 1.201) 4.649 11.880 ( -3.958 2.658 -0.254) 4.775 11.985 ( 0.392 1.183 2.303) 2.619 12.038 ( 1.535 -3.703 0.160) 4.012 12.175 ( 4.101 -3.177 -1.518) 5.405 12.203 ( -0.176 -3.403 -1.231) 3.623 12.627 ( 3.029 3.530 1.150) 4.792 12.665 ( 3.209 3.434 -0.194) 4.704 12.760 ( 0.419 -1.955 0.302) 2.022 12.787 ( -1.607 -2.675 -0.934) 3.257 13.207 ( 5.342 7.405 -0.314) 9.136 13.249 ( 5.230 7.476 0.086) 9.124 13.516 ( -0.882 -5.089 0.286) 5.173 13.545 ( -1.035 -3.326 0.278) 3.494 13.885 ( 4.889 4.233 -0.192) 6.469 13.945 ( 6.031 2.266 0.559) 6.467 14.034 ( 1.996 -0.231 -0.756) 2.147 14.062 ( 2.329 -1.475 0.038) 2.757 14.208 ( -2.558 10.941 1.176) 11.297 14.256 ( -0.601 8.167 -1.049) 8.256 14.492 ( -6.606 -2.302 -1.493) 7.153 14.555 ( -4.381 -0.755 1.190) 4.602 14.913 ( 5.175 0.571 0.945) 5.292 14.964 ( 3.387 1.256 -1.692) 3.989 15.145 ( -3.137 -5.952 1.387) 6.870 15.193 ( -1.731 -5.253 -0.267) 5.537 15.256 ( 3.797 0.863 -0.370) 3.911 15.310 ( 5.551 1.355 0.850) 5.777 15.357 ( 1.791 -3.327 -0.610) 3.827 15.396 ( 6.934 -2.188 -0.289) 7.277 15.673 ( 5.553 0.416 -2.296) 6.024 15.715 ( 7.683 -1.511 -4.056) 8.818 15.782 ( 3.950 1.356 2.367) 4.800 15.802 ( 6.875 0.399 2.311) 7.264 16.283 ( -1.447 -0.070 1.320) 1.960 16.302 ( -0.937 -0.866 -1.062) 1.660 16.396 ( 0.808 0.620 -0.692) 1.231 16.408 ( -1.881 0.217 2.324) 2.998 17.077 ( 1.869 1.602 -0.250) 2.474 17.097 ( 1.668 0.498 1.178) 2.101 17.134 ( 0.472 -0.110 0.235) 0.539 17.176 ( 1.300 -1.442 -1.843) 2.677 19.644 ( 7.189 -0.476 -2.830) 7.741 19.656 ( 8.589 -0.801 0.657) 8.652 19.835 ( 6.061 0.281 0.601) 6.097 19.874 ( 7.574 -1.146 2.396) 8.026 20.176 ( -10.510 2.081 2.803) 11.075 20.269 ( -10.875 -1.788 1.425) 11.112 20.464 ( -6.273 1.700 -1.755) 6.732 20.543 ( -6.377 -1.617 -0.881) 6.638 21.898 ( 10.563 1.449 -0.989) 10.707 21.921 ( 11.487 2.004 -1.187) 11.721 22.024 ( 10.614 -1.408 1.201) 10.774 22.058 ( 11.552 -1.226 0.367) 11.623 22.577 ( -8.533 1.803 -1.183) 8.801 22.698 ( -7.677 -2.718 -0.410) 8.154 22.777 ( -12.430 -0.220 1.742) 12.553 22.846 ( -11.743 -2.448 0.169) 11.997 27.076 ( 17.489 2.883 -0.885) 17.747 27.139 ( 17.544 5.316 1.612) 18.402 27.302 ( 19.559 -5.578 -5.633) 21.104 27.428 ( 21.548 -6.508 6.989) 23.570 28.402 ( -20.575 5.867 1.494) 21.448 28.466 ( -19.498 6.920 -1.165) 20.722 28.664 ( -24.434 -4.395 0.412) 24.829 28.790 ( -18.462 -6.940 -1.060) 19.752 30.231 ( 8.776 4.123 -0.049) 9.696 30.303 ( 8.696 4.482 1.247) 9.862 30.360 ( 4.757 -0.128 0.136) 4.761 30.405 ( 3.587 -0.913 -0.710) 3.768 30.547 ( 8.745 7.013 -2.315) 11.447 30.607 ( 9.840 3.361 3.432) 10.950 30.768 ( 6.083 -3.587 6.301) 9.465 30.846 ( 3.122 -3.223 -2.621) 5.197 31.034 ( -9.034 4.026 -0.715) 9.916 31.137 ( -10.315 -0.087 0.406) 10.324 31.267 ( -8.899 -2.240 2.734) 9.576 31.296 ( -6.834 -2.558 -3.186) 7.962 31.842 ( 2.994 4.000 0.738) 5.050 31.888 ( 3.022 3.974 0.304) 5.002 32.027 ( 1.533 -3.110 -3.717) 5.083 32.223 ( 3.101 -8.766 5.198) 10.653 32.596 ( 8.633 0.313 3.835) 9.451 32.618 ( 8.973 0.143 1.561) 9.109 32.790 ( 13.879 0.910 -0.908) 13.938 32.797 ( 13.354 0.727 -1.424) 13.449 33.132 ( -1.239 0.504 -2.077) 2.471 33.144 ( -0.857 0.327 0.130) 0.927 33.306 ( -5.599 -0.589 -0.588) 5.660 33.322 ( -6.744 -0.915 4.255) 8.027 34.011 ( -3.611 2.619 -3.898) 5.924 34.103 ( -5.490 -1.271 -6.035) 8.257 34.630 ( 3.786 0.922 -1.171) 4.069 34.679 ( 2.603 -1.122 -0.827) 2.952 34.869 ( -1.517 4.010 3.276) 5.396 35.031 ( -1.077 -1.974 3.600) 4.245 35.118 ( 2.056 0.650 -1.599) 2.684 35.195 ( 1.696 -3.758 -1.512) 4.392 35.330 ( 0.804 0.224 -1.412) 1.640 35.355 ( 0.460 -0.218 0.127) 0.524 35.415 ( 2.042 1.057 -2.933) 3.727 35.452 ( 0.201 -0.400 0.234) 0.505 36.862 ( -6.827 5.685 13.447) 16.117 36.881 ( -2.909 7.325 -12.803) 15.035 37.336 ( -16.979 -5.559 9.725) 20.342 37.478 ( -12.278 -9.136 -10.279) 18.436 ======================= Grid point 58 (29/69) ======================= q-point: ( 0.44 0.25 -0.80) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.478 ( 6.035 0.615 3.095) 6.810 1.646 ( 3.580 -5.643 -0.130) 6.684 1.670 ( 2.832 5.531 -0.704) 6.254 1.785 ( 0.369 2.424 -3.363) 4.162 1.880 ( 1.985 2.093 2.908) 4.096 1.976 ( -0.515 -3.877 -0.333) 3.925 1.995 ( 0.849 1.986 -5.065) 5.506 2.111 ( -4.044 -1.027 -2.371) 4.800 2.215 ( -2.020 0.122 0.264) 2.041 2.253 ( 5.833 4.511 -6.958) 10.138 2.390 ( 0.008 -1.965 -4.846) 5.229 2.472 ( 4.036 -1.097 -3.194) 5.263 2.553 ( 7.004 -0.663 -3.779) 7.986 2.586 ( 5.324 -0.888 -0.206) 5.401 2.623 ( 0.704 -2.455 2.052) 3.276 2.729 ( 3.649 -0.994 -4.522) 5.895 2.751 ( -1.195 2.992 -2.751) 4.237 2.813 ( 1.594 -1.029 3.010) 3.558 2.884 ( 3.757 6.249 -2.834) 7.823 2.936 ( -0.385 -4.766 2.895) 5.589 2.985 ( -7.127 -5.919 2.564) 9.613 3.035 ( -0.827 -1.446 3.428) 3.811 3.100 ( 5.010 3.356 5.781) 8.353 3.133 ( 0.325 -4.975 -2.334) 5.505 3.209 ( 6.252 3.290 2.447) 7.476 3.345 ( 1.695 0.780 1.526) 2.411 3.356 ( -3.799 2.751 0.074) 4.691 3.413 ( -1.469 4.068 0.694) 4.380 3.529 ( 1.714 -1.475 -1.704) 2.831 3.573 ( -1.216 1.413 3.746) 4.184 3.626 ( 2.606 4.113 -1.814) 5.196 3.671 ( 1.265 5.083 1.566) 5.467 3.784 ( 0.690 -0.757 -1.290) 1.647 3.922 ( 2.082 -2.667 -2.905) 4.460 3.973 ( 5.843 4.827 -5.137) 9.156 4.080 ( 3.107 0.599 -5.032) 5.944 4.156 ( 1.577 3.234 1.538) 3.913 4.201 ( 1.102 0.718 -0.088) 1.319 4.233 ( 1.170 0.979 2.843) 3.226 4.294 ( -0.572 -2.949 -0.371) 3.026 4.372 ( 2.132 -8.393 -3.025) 9.173 4.412 ( -1.991 -2.498 0.625) 3.255 4.444 ( -1.207 -1.564 2.605) 3.269 4.476 ( -1.204 -1.506 0.690) 2.047 4.555 ( -1.454 -1.303 -3.437) 3.952 4.576 ( -3.349 0.882 1.149) 3.649 4.664 ( -0.030 -2.925 0.655) 2.998 4.721 ( 1.841 -0.179 4.778) 5.123 4.807 ( -8.969 5.056 2.158) 10.519 4.888 ( -1.595 3.820 -1.698) 4.475 4.956 ( -1.109 1.688 4.037) 4.515 5.037 ( -1.821 5.912 -0.547) 6.210 5.110 ( 0.288 -0.064 3.793) 3.804 5.207 ( -0.690 0.991 5.281) 5.417 5.232 ( 0.561 8.986 2.368) 9.310 5.316 ( -0.135 -0.704 -1.120) 1.330 5.337 ( -0.454 -1.664 -1.054) 2.021 5.444 ( 0.595 -6.369 0.598) 6.425 5.486 ( 2.974 -3.534 2.632) 5.316 5.577 ( 1.781 -4.998 1.859) 5.622 5.930 ( -0.125 1.663 -3.778) 4.129 6.037 ( 2.395 -0.991 1.869) 3.196 6.045 ( -2.102 1.740 -1.169) 2.968 6.129 ( -0.960 -1.051 1.890) 2.366 6.164 ( 3.335 -0.934 -1.962) 3.980 6.216 ( -0.031 -6.537 -3.640) 7.482 6.292 ( 5.501 0.606 -1.243) 5.672 6.383 ( -1.757 -0.845 -0.971) 2.178 6.485 ( 0.748 -0.618 0.669) 1.178 6.524 ( -1.660 -4.526 -0.543) 4.851 6.554 ( 0.821 0.773 0.708) 1.331 6.620 ( -3.277 -1.460 0.625) 3.642 6.889 ( 5.616 0.756 0.418) 5.682 7.019 ( 2.782 -1.178 -0.375) 3.044 7.031 ( 5.123 -1.051 0.807) 5.291 7.086 ( -1.041 -0.433 1.224) 1.664 7.387 ( -10.413 1.347 0.989) 10.546 7.464 ( -7.757 0.191 -0.409) 7.770 7.552 ( -5.881 4.654 1.755) 7.702 7.827 ( -8.939 -6.084 0.062) 10.814 8.727 ( 2.130 4.987 -1.825) 5.721 8.765 ( 0.451 3.073 -1.792) 3.586 8.840 ( -1.779 0.970 2.209) 2.998 8.943 ( 1.124 -1.762 -1.116) 2.369 9.124 ( 1.355 -2.003 0.140) 2.422 9.149 ( 0.558 -0.658 0.187) 0.883 9.153 ( 0.891 -4.354 0.749) 4.507 9.219 ( 1.507 -2.803 0.232) 3.191 9.346 ( -3.776 3.813 3.190) 6.243 9.449 ( -2.850 -0.061 3.077) 4.194 9.539 ( -0.940 -0.364 -0.334) 1.062 9.565 ( -0.351 0.149 -1.354) 1.407 9.573 ( 1.684 1.119 -0.808) 2.177 9.625 ( 0.169 -0.566 -1.851) 1.943 9.732 ( -1.843 -0.527 -1.786) 2.620 9.774 ( -4.652 -0.430 -1.564) 4.927 9.869 ( 1.495 -1.453 -1.912) 2.829 9.896 ( -0.828 -1.450 -2.532) 3.033 10.028 ( -2.109 2.788 1.515) 3.810 10.143 ( -3.109 -2.678 -0.221) 4.109 10.450 ( -1.493 2.975 1.189) 3.534 10.502 ( -0.370 3.406 -0.162) 3.430 10.592 ( -1.982 -2.851 0.634) 3.530 10.653 ( -0.948 -3.110 -0.174) 3.256 11.496 ( 1.081 1.126 0.210) 1.575 11.541 ( 0.883 0.764 0.161) 1.179 11.569 ( 2.480 -2.074 0.207) 3.239 11.607 ( 2.254 -2.191 0.478) 3.180 11.735 ( -0.753 1.496 -0.045) 1.676 11.739 ( 0.146 1.143 -0.571) 1.286 11.835 ( -1.701 2.435 0.162) 2.975 11.853 ( -0.808 4.980 0.160) 5.048 11.990 ( -1.511 -0.054 -0.246) 1.532 12.057 ( 0.624 -4.747 0.275) 4.796 12.204 ( 1.026 -3.048 -0.247) 3.226 12.217 ( 2.927 -4.411 -1.272) 5.444 12.659 ( 0.621 1.934 -0.331) 2.058 12.702 ( 1.565 2.423 -0.558) 2.938 12.744 ( -1.585 -1.709 -0.257) 2.345 12.765 ( -0.551 -1.178 0.614) 1.438 13.286 ( 4.388 7.356 -0.111) 8.566 13.319 ( 2.810 7.517 -0.115) 8.026 13.476 ( -2.923 1.443 0.157) 3.264 13.514 ( -1.917 2.119 -0.333) 2.877 13.958 ( 3.077 2.064 0.062) 3.706 14.007 ( 2.447 1.841 -0.273) 3.075 14.069 ( -1.096 2.577 -0.108) 2.802 14.112 ( 3.468 1.618 -0.295) 3.838 14.219 ( 4.806 3.605 1.433) 6.177 14.277 ( 5.331 1.692 -1.557) 5.806 14.351 ( -8.898 -1.666 -0.763) 9.084 14.467 ( -7.466 -2.717 -0.058) 7.945 14.964 ( 2.156 -1.657 -0.457) 2.757 14.993 ( 2.467 -1.038 -0.455) 2.715 15.077 ( -5.083 -5.102 0.990) 7.269 15.130 ( -3.732 -5.889 -0.257) 6.977 15.332 ( 4.809 0.218 -0.449) 4.835 15.371 ( -0.026 -0.670 -0.026) 0.671 15.397 ( 3.191 1.190 0.064) 3.406 15.450 ( 1.036 0.051 -0.625) 1.211 15.754 ( 4.945 1.216 -0.210) 5.097 15.806 ( 5.313 -1.313 0.069) 5.473 15.844 ( 1.854 1.303 0.462) 2.312 15.898 ( 2.247 -0.851 0.804) 2.533 16.272 ( -0.568 -0.691 0.424) 0.990 16.283 ( -2.010 -0.933 1.928) 2.937 16.367 ( -3.412 1.158 0.261) 3.613 16.399 ( 0.423 -0.080 -0.518) 0.674 17.094 ( 0.843 1.781 -0.876) 2.156 17.119 ( -0.353 0.580 -0.131) 0.692 17.143 ( 0.134 -0.251 0.946) 0.988 17.182 ( 1.906 -1.579 -0.908) 2.636 19.744 ( 8.463 0.408 -1.792) 8.661 19.794 ( 7.404 -1.726 -0.306) 7.609 19.914 ( 1.913 1.436 0.665) 2.482 19.982 ( 1.504 -1.404 0.794) 2.205 20.056 ( -8.385 1.718 3.673) 9.315 20.131 ( -7.719 -1.424 2.055) 8.114 20.380 ( -2.152 1.552 0.061) 2.654 20.458 ( -2.752 -1.669 0.099) 3.220 22.035 ( 6.285 2.097 -0.012) 6.625 22.070 ( 7.237 3.090 -0.713) 7.902 22.172 ( 6.314 -2.487 0.711) 6.823 22.220 ( 7.816 -2.737 -0.229) 8.285 22.456 ( -4.287 1.984 -0.626) 4.765 22.568 ( -7.006 -2.192 -1.367) 7.467 22.637 ( -6.811 -0.113 1.549) 6.986 22.684 ( -7.525 -1.492 0.037) 7.671 27.303 ( 11.393 3.768 -0.472) 12.009 27.377 ( 8.201 7.404 0.797) 11.078 27.528 ( 14.160 -5.602 -0.856) 15.252 27.754 ( 6.972 -9.062 3.511) 11.960 28.156 ( -11.804 3.838 1.426) 12.494 28.219 ( -9.300 6.963 -0.986) 11.659 28.342 ( -13.286 -3.932 2.489) 14.078 28.562 ( -8.938 -7.800 0.192) 11.864 30.330 ( 3.957 2.038 -0.274) 4.459 30.380 ( 0.890 0.857 -0.009) 1.236 30.428 ( 2.166 1.295 -0.457) 2.565 30.445 ( 3.016 0.389 -1.394) 3.345 30.689 ( 9.156 5.035 2.070) 10.652 30.741 ( 2.982 3.585 1.448) 4.883 30.846 ( -1.639 -0.372 3.306) 3.709 30.891 ( 0.574 0.450 1.582) 1.742 30.944 ( -3.129 -1.109 5.396) 6.335 31.006 ( -6.233 -1.137 -0.265) 6.342 31.184 ( -8.213 -0.505 3.205) 8.831 31.224 ( 2.183 -1.698 1.011) 2.944 31.885 ( 0.426 4.705 1.186) 4.870 31.907 ( 1.019 3.962 -1.829) 4.481 32.092 ( 4.550 -3.395 6.157) 8.375 32.311 ( -0.980 -9.759 6.893) 11.988 32.686 ( -0.530 1.202 -0.734) 1.505 32.713 ( 2.476 0.883 -0.955) 2.796 32.942 ( 8.627 0.631 -3.226) 9.232 32.969 ( 8.877 0.453 -0.937) 8.938 33.083 ( 0.551 1.253 -3.356) 3.624 33.137 ( -0.967 -0.756 0.577) 1.357 33.241 ( -4.357 -0.245 2.530) 5.044 33.247 ( -8.319 -0.393 3.480) 9.026 33.991 ( 1.981 1.672 3.128) 4.063 34.046 ( 2.375 -0.699 1.497) 2.893 34.643 ( 1.481 0.351 -3.753) 4.050 34.669 ( 0.401 -0.707 -4.934) 5.000 34.886 ( -1.587 3.870 4.148) 5.891 35.051 ( -1.849 -2.268 3.739) 4.748 35.122 ( 1.310 1.078 -2.073) 2.679 35.212 ( 1.357 -3.756 -0.061) 3.994 35.315 ( 0.800 0.669 -3.422) 3.577 35.350 ( 0.241 -0.429 -2.253) 2.306 35.408 ( 1.668 0.993 -3.723) 4.198 35.442 ( -0.555 -0.480 -1.792) 1.936 36.790 ( 6.260 6.584 -7.260) 11.629 36.819 ( -10.422 4.010 2.852) 11.526 37.166 ( -13.439 -3.966 1.717) 14.117 37.278 ( 1.517 -7.335 -8.663) 11.452 ======================= Grid point 59 (30/69) ======================= q-point: (-0.44 0.25 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.494 ( -11.477 3.486 -1.276) 12.062 1.680 ( -4.123 -2.822 -0.268) 5.003 1.728 ( 4.673 3.650 -2.921) 6.610 1.787 ( -12.183 3.072 -2.690) 12.849 1.830 ( 7.168 1.902 -0.099) 7.417 1.954 ( 6.186 2.212 -0.786) 6.616 1.990 ( 1.261 -2.957 -1.163) 3.418 2.066 ( 1.841 -1.238 1.275) 2.559 2.161 ( -3.445 -3.235 0.361) 4.739 2.255 ( -5.320 -3.272 -5.134) 8.085 2.266 ( -4.581 3.630 -5.490) 8.018 2.420 ( 1.585 1.755 -0.890) 2.527 2.505 ( -4.516 -1.581 -8.370) 9.641 2.600 ( -0.424 -3.774 -2.984) 4.829 2.656 ( -2.846 1.314 -8.215) 8.793 2.682 ( 0.075 -1.030 1.108) 1.515 2.792 ( -6.694 -0.355 3.234) 7.443 2.828 ( 5.844 -3.031 2.548) 7.059 2.907 ( 1.134 -2.287 3.438) 4.282 2.936 ( -3.036 -4.768 1.184) 5.776 2.961 ( 0.680 2.375 5.565) 6.089 3.061 ( -3.888 3.051 2.122) 5.378 3.107 ( -1.046 -1.160 -2.710) 3.128 3.225 ( -4.671 -0.757 -2.116) 5.184 3.244 ( 0.803 5.194 0.401) 5.271 3.306 ( 5.084 1.900 1.359) 5.595 3.361 ( -3.213 9.109 1.438) 9.765 3.457 ( 0.670 -1.159 5.121) 5.293 3.503 ( -6.280 -1.320 1.717) 6.643 3.586 ( 1.343 -2.321 0.602) 2.749 3.626 ( -0.043 6.687 -1.194) 6.793 3.708 ( 1.574 2.712 1.148) 3.339 3.799 ( 2.459 -2.191 -0.969) 3.433 3.911 ( -0.686 -0.545 -4.932) 5.009 4.038 ( 3.839 2.424 -0.442) 4.562 4.083 ( -1.463 1.611 3.143) 3.823 4.128 ( 1.641 0.826 -0.716) 1.972 4.227 ( -3.370 -1.474 1.205) 3.871 4.242 ( 0.330 2.358 -2.816) 3.687 4.273 ( -3.369 -3.576 -3.690) 6.144 4.322 ( 3.418 0.321 2.467) 4.228 4.431 ( -2.532 -3.952 0.086) 4.694 4.459 ( -4.177 -0.954 -6.696) 7.949 4.466 ( -3.881 -2.692 -1.705) 5.022 4.503 ( 1.161 -4.061 2.464) 4.890 4.508 ( 1.957 -1.063 -0.465) 2.275 4.680 ( 2.512 -0.392 0.077) 2.543 4.711 ( -0.820 4.530 1.362) 4.801 4.820 ( 0.779 2.553 1.403) 3.015 4.864 ( 2.406 1.503 3.085) 4.191 4.965 ( -2.302 0.763 3.581) 4.325 5.034 ( 0.715 3.370 2.815) 4.449 5.163 ( 0.303 4.485 4.259) 6.192 5.241 ( -1.668 -0.493 2.643) 3.164 5.259 ( -0.740 2.095 0.173) 2.228 5.350 ( 3.442 2.038 3.516) 5.326 5.363 ( 4.343 -1.724 -0.702) 4.725 5.496 ( 3.974 -4.392 1.574) 6.129 5.569 ( 0.131 -4.913 5.758) 7.570 5.613 ( 0.025 -4.168 3.338) 5.340 5.910 ( 1.624 2.539 -1.278) 3.274 5.978 ( -3.335 1.315 -2.502) 4.371 6.038 ( -2.997 -2.258 -1.100) 3.911 6.112 ( -3.226 -3.489 -2.668) 5.449 6.112 ( -4.021 -0.037 -1.799) 4.405 6.189 ( 2.386 -0.708 -2.567) 3.576 6.309 ( -4.125 0.202 -2.029) 4.601 6.349 ( 0.898 -2.558 -1.398) 3.050 6.478 ( -4.419 -1.525 -0.179) 4.678 6.540 ( 3.644 -1.715 0.899) 4.127 6.585 ( 0.229 0.719 0.817) 1.113 6.611 ( 3.975 -0.713 0.456) 4.064 6.911 ( -5.510 -1.009 1.084) 5.705 6.963 ( -5.185 -0.584 -0.278) 5.225 6.994 ( -6.818 2.362 -0.424) 7.228 7.094 ( -0.672 -2.286 0.949) 2.565 7.398 ( 10.379 1.881 1.387) 10.639 7.504 ( 9.937 2.991 -1.042) 10.429 7.638 ( 9.928 -2.321 5.948) 11.804 7.795 ( 6.513 -5.261 -1.926) 8.591 8.732 ( 0.976 4.548 -1.862) 5.010 8.744 ( 0.307 3.759 -2.345) 4.441 8.835 ( -2.216 2.341 2.587) 4.133 8.953 ( 1.568 -1.350 -0.913) 2.261 9.126 ( -2.361 -0.070 1.014) 2.571 9.161 ( -1.131 -3.227 0.504) 3.456 9.180 ( 3.392 -2.251 -0.373) 4.088 9.235 ( -1.287 -2.728 1.146) 3.227 9.299 ( -3.513 2.778 1.341) 4.675 9.420 ( -4.010 -1.823 2.594) 5.112 9.546 ( -2.655 1.148 -2.189) 3.627 9.563 ( 1.320 0.280 0.600) 1.477 9.587 ( 2.734 0.555 -0.353) 2.812 9.621 ( 5.077 -1.002 -0.934) 5.258 9.686 ( 2.267 -0.997 -2.339) 3.406 9.764 ( 3.695 -1.119 -1.802) 4.260 9.858 ( -1.482 1.160 -3.297) 3.796 9.927 ( 4.997 -1.232 -2.209) 5.601 10.031 ( 1.815 -0.342 1.964) 2.696 10.093 ( 0.143 -1.421 -1.099) 1.802 10.449 ( 0.258 3.226 1.394) 3.524 10.510 ( 1.553 3.832 -0.085) 4.136 10.610 ( 1.880 -3.351 0.983) 3.967 10.651 ( 1.261 -3.146 -0.318) 3.404 11.504 ( -0.688 1.231 0.650) 1.553 11.526 ( -2.305 0.663 -0.427) 2.436 11.588 ( -2.986 -1.637 0.581) 3.455 11.601 ( -2.342 -1.800 0.162) 2.958 11.745 ( 1.851 1.020 0.118) 2.117 11.754 ( 1.252 1.070 0.660) 1.774 11.810 ( -0.752 3.425 -0.996) 3.645 11.849 ( 1.502 2.397 -0.474) 2.868 11.961 ( -1.837 0.462 0.390) 1.934 12.055 ( -0.637 -4.076 -0.548) 4.162 12.205 ( -0.675 -3.777 -0.555) 3.877 12.232 ( 0.406 -4.072 -0.562) 4.130 12.644 ( -2.370 1.810 -0.440) 3.014 12.681 ( -0.736 1.815 -1.020) 2.209 12.758 ( -0.419 -1.113 0.070) 1.192 12.772 ( 2.701 -0.839 0.519) 2.876 13.296 ( -3.528 7.481 0.264) 8.275 13.307 ( -3.665 7.379 -0.522) 8.255 13.479 ( 3.041 1.851 0.326) 3.575 13.504 ( 1.471 1.687 -0.642) 2.329 13.960 ( -2.948 2.496 0.319) 3.876 13.993 ( -2.294 2.289 -0.796) 3.337 14.088 ( 0.869 2.188 0.523) 2.412 14.109 ( -1.653 2.485 -0.633) 3.051 14.190 ( -7.120 2.216 0.271) 7.462 14.305 ( -4.782 2.238 -0.429) 5.297 14.375 ( 10.300 -2.826 -0.109) 10.682 14.418 ( 6.142 -1.204 -1.249) 6.382 14.963 ( -2.862 -1.890 -0.266) 3.440 15.016 ( -0.120 -1.239 -0.608) 1.386 15.056 ( 2.512 -6.409 0.988) 6.954 15.121 ( 3.959 -4.639 -0.380) 6.111 15.329 ( -4.227 0.794 -0.715) 4.360 15.379 ( -0.705 -2.206 0.041) 2.316 15.382 ( -3.254 2.407 -0.011) 4.048 15.451 ( -0.373 -0.417 -0.455) 0.721 15.780 ( -2.082 1.107 0.739) 2.471 15.811 ( -3.377 1.358 -0.802) 3.727 15.880 ( -4.788 -0.848 -0.543) 4.893 15.889 ( 1.488 -2.269 2.733) 3.851 16.267 ( -2.067 0.537 1.547) 2.637 16.301 ( 2.442 -0.881 1.192) 2.856 16.344 ( 1.207 1.490 -0.213) 1.929 16.414 ( 1.840 -1.533 -0.199) 2.403 17.085 ( -0.735 0.923 -0.563) 1.308 17.091 ( -1.770 0.401 -1.006) 2.075 17.156 ( -0.146 0.472 0.788) 0.930 17.202 ( 0.934 -1.215 -0.334) 1.568 19.770 ( -7.347 0.533 -1.443) 7.507 19.805 ( -2.280 -0.881 -0.395) 2.476 19.946 ( -1.319 -0.153 -0.427) 1.395 19.949 ( -1.231 -0.442 1.593) 2.061 20.029 ( -0.734 2.033 3.713) 4.296 20.116 ( 3.370 -1.685 1.980) 4.256 20.419 ( 5.418 1.127 1.317) 5.689 20.476 ( 4.178 -1.241 0.027) 4.358 22.034 ( -6.334 2.953 -0.151) 6.990 22.074 ( -5.390 2.820 -0.568) 6.110 22.180 ( -7.717 -3.401 1.042) 8.498 22.216 ( -8.194 -2.786 -0.369) 8.663 22.488 ( 7.707 1.640 0.618) 7.904 22.531 ( 7.237 0.230 -2.777) 7.755 22.631 ( 3.868 -0.835 1.340) 4.178 22.682 ( 6.781 -2.590 0.055) 7.259 27.317 ( -12.364 5.274 -0.410) 13.448 27.361 ( -7.344 5.408 0.749) 9.151 27.604 ( -19.566 -5.789 -2.002) 20.503 27.685 ( 0.558 -7.939 4.758) 9.273 28.138 ( 9.218 5.032 0.698) 10.525 28.232 ( 12.168 5.432 -0.422) 13.332 28.428 ( 12.096 -5.452 4.707) 14.078 28.557 ( 8.811 -7.708 -0.357) 11.712 30.325 ( -4.296 2.675 -0.240) 5.067 30.373 ( -1.473 -0.361 0.214) 1.532 30.396 ( -4.064 1.687 -1.286) 4.584 30.446 ( -1.572 0.566 -0.843) 1.871 30.720 ( -7.235 2.287 1.186) 7.680 30.751 ( -7.070 2.920 2.141) 7.943 30.877 ( 3.021 -1.880 3.240) 4.813 30.927 ( -1.815 -1.765 0.843) 2.668 30.968 ( 4.681 1.536 2.286) 5.431 31.050 ( 6.021 -0.121 7.001) 9.235 31.116 ( -1.081 3.391 0.273) 3.570 31.353 ( 8.268 -1.668 5.123) 9.868 31.872 ( -2.855 5.102 0.768) 5.897 31.913 ( 0.188 4.841 1.569) 5.092 32.259 ( 1.692 -5.855 9.634) 11.400 32.339 ( -2.502 -5.882 7.539) 9.884 32.615 ( -4.131 0.983 -3.044) 5.224 32.661 ( -4.637 0.140 -3.715) 5.943 32.927 ( -5.681 -0.092 -3.850) 6.863 32.973 ( -4.614 -1.849 -2.536) 5.580 33.082 ( -3.150 2.236 -0.791) 3.942 33.116 ( 1.465 1.031 1.769) 2.518 33.250 ( 4.528 0.050 3.946) 6.006 33.288 ( 7.636 -1.392 2.006) 8.017 34.115 ( 4.478 1.616 8.142) 9.432 34.174 ( 6.402 -0.933 6.157) 8.931 34.587 ( -0.673 0.295 -8.378) 8.410 34.602 ( -0.166 -0.371 -5.702) 5.716 34.911 ( -1.589 3.230 4.891) 6.073 35.053 ( -1.808 -2.485 2.036) 3.686 35.120 ( 0.074 2.098 -0.178) 2.107 35.225 ( 0.259 -2.795 0.057) 2.808 35.282 ( 0.636 0.347 -4.328) 4.389 35.314 ( -0.355 -0.809 -3.989) 4.085 35.380 ( 1.361 0.545 -5.748) 5.932 35.407 ( 0.061 -0.355 -2.955) 2.977 36.601 ( -15.527 4.909 -5.634) 17.231 36.846 ( -2.031 -4.154 -3.256) 5.656 37.023 ( 5.720 5.429 -3.666) 8.697 37.347 ( 15.654 -6.952 -4.003) 17.590 ======================= Grid point 60 (31/69) ======================= q-point: (-0.33 0.25 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.212 ( -20.054 4.231 -1.631) 20.561 1.515 ( -12.077 9.113 -4.891) 15.900 1.530 ( -14.872 -0.730 -3.482) 15.292 1.768 ( -2.373 0.784 -2.540) 3.563 1.829 ( -2.480 1.738 -4.097) 5.095 1.837 ( -7.536 -0.777 -5.506) 9.365 1.963 ( -7.227 -0.461 -4.793) 8.684 2.000 ( -4.225 1.841 -4.091) 6.162 2.100 ( -15.264 -0.773 -3.651) 15.713 2.186 ( -1.842 1.674 2.574) 3.581 2.242 ( 3.491 -1.716 6.033) 7.179 2.431 ( 8.070 -4.242 1.112) 9.185 2.506 ( 2.110 -2.734 2.221) 4.106 2.537 ( -3.252 -1.405 -5.996) 6.964 2.586 ( 2.152 -2.918 4.216) 5.560 2.658 ( 0.079 -0.562 -1.131) 1.266 2.735 ( -3.218 2.300 -0.039) 3.955 2.857 ( -2.928 -3.120 -4.611) 6.291 2.886 ( -5.818 0.417 1.688) 6.072 2.928 ( -1.791 -1.353 0.867) 2.406 2.989 ( -4.796 1.374 -1.271) 5.148 3.020 ( -0.310 7.215 3.550) 8.047 3.064 ( -3.148 -1.307 -0.357) 3.427 3.109 ( 0.155 -2.051 -0.238) 2.071 3.286 ( -1.357 0.998 0.318) 1.714 3.330 ( 1.694 3.304 -1.272) 3.925 3.362 ( -6.694 5.149 1.292) 8.544 3.384 ( -8.546 2.280 3.175) 9.398 3.441 ( -1.442 1.627 -0.690) 2.281 3.560 ( -5.234 -2.497 0.186) 5.802 3.606 ( -2.560 1.866 -3.038) 4.389 3.687 ( -5.025 0.087 -0.417) 5.043 3.810 ( -1.761 -5.037 -0.513) 5.361 3.857 ( 0.207 -2.995 -1.567) 3.387 4.019 ( -3.581 2.184 -3.162) 5.253 4.055 ( -3.181 -1.170 -2.009) 3.940 4.100 ( -5.368 2.687 -0.033) 6.003 4.151 ( -4.954 -1.413 -4.314) 6.719 4.223 ( 0.229 -0.504 0.805) 0.977 4.288 ( -1.192 -3.783 -0.489) 3.997 4.325 ( 0.501 5.359 -2.145) 5.794 4.378 ( -2.139 -3.755 0.654) 4.370 4.403 ( 0.674 -2.485 0.831) 2.705 4.453 ( 5.848 -0.385 5.801) 8.246 4.539 ( 7.226 -3.749 -1.916) 8.363 4.570 ( 1.957 0.648 1.152) 2.361 4.736 ( 2.478 2.701 0.533) 3.704 4.769 ( 4.994 -1.146 1.040) 5.229 4.863 ( 4.398 2.857 3.029) 6.057 4.983 ( 0.839 0.191 1.873) 2.061 4.990 ( 5.287 -1.618 3.741) 6.676 5.093 ( 0.999 6.425 3.068) 7.190 5.191 ( -0.989 -0.707 0.838) 1.476 5.235 ( -2.165 -1.175 0.773) 2.582 5.243 ( 0.238 6.420 0.881) 6.485 5.414 ( 2.676 0.112 -2.119) 3.416 5.445 ( 3.412 0.088 2.851) 4.448 5.556 ( 2.194 -3.563 -0.680) 4.239 5.583 ( -2.354 -4.506 2.579) 5.701 5.663 ( -0.203 -3.382 1.594) 3.744 5.901 ( -1.700 0.301 -3.025) 3.483 5.927 ( -4.573 0.217 1.226) 4.739 5.975 ( -1.218 -2.363 1.682) 3.146 5.997 ( -1.738 -0.811 -3.060) 3.611 6.091 ( -1.529 -0.735 0.406) 1.744 6.113 ( -6.147 -0.216 -2.590) 6.674 6.267 ( 0.871 3.561 0.106) 3.668 6.344 ( -3.779 2.163 2.580) 5.061 6.391 ( -2.018 -1.247 -1.279) 2.695 6.582 ( 0.188 -3.097 -0.328) 3.120 6.602 ( 1.445 0.356 -1.379) 2.029 6.673 ( 3.226 -1.381 -0.239) 3.517 6.829 ( -6.951 1.145 0.244) 7.049 6.876 ( -5.947 -2.196 1.786) 6.586 6.922 ( 0.034 1.521 -1.280) 1.988 7.073 ( -2.555 -4.367 1.381) 5.245 7.667 ( 20.453 2.201 0.541) 20.578 7.698 ( 16.231 3.243 -0.874) 16.575 7.895 ( 14.012 -4.307 4.696) 15.393 7.957 ( 17.320 -4.611 -3.540) 18.270 8.707 ( -0.472 4.344 -2.158) 4.874 8.742 ( 1.401 4.386 -1.401) 4.813 8.834 ( -2.040 3.057 3.349) 4.972 8.962 ( 0.530 -0.647 -0.871) 1.208 9.091 ( -1.896 0.452 -1.215) 2.297 9.132 ( -3.016 -1.799 0.847) 3.612 9.165 ( -4.057 -1.017 -0.040) 4.182 9.240 ( -1.732 -2.958 3.189) 4.682 9.282 ( 0.551 -1.599 -1.871) 2.522 9.389 ( -5.043 -4.472 4.060) 7.868 9.481 ( -1.452 2.079 -1.692) 3.049 9.536 ( -4.420 -0.250 0.481) 4.453 9.681 ( -0.334 0.622 0.129) 0.718 9.722 ( 9.555 0.088 1.507) 9.673 9.751 ( 10.304 0.655 -2.057) 10.528 9.787 ( 1.794 1.429 -4.990) 5.492 9.849 ( 10.173 -0.803 -1.500) 10.315 9.963 ( 5.443 -3.296 -2.428) 6.811 10.106 ( 5.382 0.615 1.781) 5.702 10.172 ( 6.293 -0.965 1.928) 6.652 10.498 ( 3.720 2.875 1.699) 4.999 10.549 ( 3.571 3.595 -0.056) 5.067 10.652 ( 3.010 -3.491 0.150) 4.612 10.690 ( 4.302 -3.079 -0.575) 5.322 11.462 ( -5.269 0.407 0.129) 5.286 11.484 ( -3.188 0.707 0.095) 3.267 11.494 ( -7.881 -1.084 -0.105) 7.956 11.530 ( -7.272 -0.486 -0.213) 7.292 11.750 ( 1.091 3.287 -0.709) 3.535 11.805 ( 2.842 -0.507 0.687) 2.967 11.832 ( 2.466 1.521 0.877) 3.027 11.882 ( 3.504 0.844 -0.612) 3.656 11.941 ( -2.395 0.973 1.769) 3.132 12.033 ( -1.141 -3.089 -0.482) 3.328 12.175 ( -1.583 -2.787 -1.203) 3.424 12.226 ( 0.040 -2.592 -0.730) 2.694 12.592 ( -3.364 3.073 0.121) 4.558 12.663 ( -1.688 3.766 0.055) 4.127 12.752 ( -0.311 -2.756 -0.194) 2.780 12.807 ( 0.881 -1.844 -0.173) 2.052 13.221 ( -5.208 7.410 -0.080) 9.057 13.228 ( -5.084 7.344 -0.261) 8.936 13.520 ( 0.401 -3.908 0.364) 3.945 13.535 ( 1.943 -4.023 0.075) 4.468 13.906 ( -5.686 3.925 0.054) 6.910 13.919 ( -3.421 3.130 0.219) 4.642 14.041 ( -3.898 -1.180 -0.630) 4.121 14.065 ( -1.836 -1.074 0.162) 2.133 14.172 ( 1.084 7.931 -0.097) 8.005 14.276 ( 2.152 9.401 -0.114) 9.644 14.477 ( 5.502 -0.212 -1.782) 5.787 14.543 ( 7.012 -2.866 0.787) 7.616 14.891 ( -5.705 0.718 -0.153) 5.752 15.006 ( -0.969 1.635 -0.222) 1.913 15.101 ( 1.007 -6.991 0.196) 7.066 15.196 ( 0.642 -3.513 0.196) 3.577 15.243 ( -2.857 -0.147 -0.678) 2.940 15.293 ( -5.296 -0.534 0.162) 5.326 15.365 ( -0.881 -2.417 -0.193) 2.580 15.410 ( -4.514 -1.839 -0.131) 4.876 15.681 ( -8.100 2.245 -1.920) 8.622 15.747 ( -9.098 -0.439 -1.422) 9.219 15.796 ( -0.259 1.596 2.573) 3.039 15.930 ( -0.360 -3.909 2.867) 4.861 16.271 ( 0.494 1.624 1.006) 1.973 16.316 ( 0.009 -0.509 -1.420) 1.509 16.406 ( 0.846 -0.153 2.032) 2.206 16.449 ( 4.038 -2.528 1.993) 5.164 17.057 ( -1.241 0.469 -0.627) 1.467 17.068 ( -0.958 0.347 0.167) 1.032 17.150 ( -1.343 0.820 0.125) 1.579 17.198 ( -0.641 -1.040 -0.589) 1.356 19.631 ( -7.683 1.441 -1.019) 7.883 19.722 ( -5.197 -2.346 -0.799) 5.758 19.864 ( -8.400 0.997 1.758) 8.640 19.911 ( -6.836 -1.025 3.601) 7.794 20.146 ( 9.016 2.442 2.348) 9.632 20.242 ( 8.930 -1.513 0.609) 9.077 20.537 ( 7.343 0.016 0.929) 7.401 20.555 ( 6.278 -0.576 -1.260) 6.429 21.881 ( -11.005 2.922 -1.753) 11.520 21.931 ( -11.059 2.270 -0.680) 11.310 22.024 ( -11.734 -1.783 1.102) 11.920 22.044 ( -11.809 -1.891 0.143) 11.960 22.637 ( 9.953 1.086 0.540) 10.026 22.668 ( 11.867 1.256 -2.225) 12.139 22.754 ( 8.353 -1.767 2.185) 8.813 22.823 ( 10.198 -4.809 -0.543) 11.288 27.060 ( -17.440 3.077 -0.603) 17.720 27.155 ( -19.242 3.137 0.900) 19.517 27.259 ( -20.007 0.087 -1.331) 20.052 27.678 ( -10.581 -16.760 7.534) 21.204 28.397 ( 20.852 6.190 0.997) 21.774 28.501 ( 20.942 5.981 0.280) 21.781 28.689 ( 16.574 -4.845 1.359) 17.321 28.785 ( 19.995 -6.247 -1.559) 21.006 30.227 ( -7.322 4.863 -0.173) 8.791 30.269 ( -10.363 3.604 0.415) 10.979 30.350 ( -2.678 -1.435 -0.018) 3.038 30.400 ( -3.104 -0.370 -0.278) 3.139 30.558 ( -12.597 2.131 -0.305) 12.780 30.634 ( -11.104 -0.644 2.173) 11.333 30.824 ( -11.322 4.719 2.850) 12.593 30.962 ( 4.002 -3.702 0.074) 5.452 31.093 ( 9.587 0.318 1.131) 9.658 31.189 ( 8.213 -3.096 -1.019) 8.837 31.278 ( 11.513 8.109 7.231) 15.830 31.545 ( 9.245 -2.493 3.473) 10.185 31.829 ( -3.107 4.975 0.628) 5.899 31.965 ( 0.331 5.434 7.399) 9.187 32.222 ( -7.603 1.717 3.171) 8.415 32.469 ( -6.738 -2.564 3.879) 8.187 32.522 ( -5.601 0.023 -3.964) 6.862 32.562 ( 0.921 -2.761 7.199) 7.766 32.745 ( -12.360 1.581 -0.377) 12.466 32.879 ( -3.049 -3.908 0.670) 5.002 33.045 ( 0.706 3.889 -2.287) 4.567 33.203 ( 5.998 -3.373 5.502) 8.810 33.394 ( 7.482 0.935 3.943) 8.509 33.463 ( 10.411 -1.859 2.258) 10.814 34.267 ( 2.809 0.992 7.624) 8.185 34.320 ( 3.714 -1.521 3.754) 5.496 34.463 ( -0.495 1.939 -11.247) 11.423 34.523 ( 0.412 -0.867 -9.078) 9.128 34.949 ( -1.215 2.034 6.001) 6.452 35.049 ( -1.394 -1.941 1.972) 3.098 35.116 ( -1.428 2.544 1.277) 3.185 35.220 ( -0.433 -1.654 -1.235) 2.109 35.242 ( 0.388 0.011 -4.011) 4.030 35.258 ( -0.560 -0.857 -4.610) 4.722 35.327 ( 1.268 0.487 -7.127) 7.255 35.378 ( 0.183 -1.116 -2.891) 3.104 36.239 ( -19.698 6.107 -9.004) 22.503 36.613 ( -12.692 -10.657 -9.648) 19.176 37.258 ( 18.990 9.214 1.312) 21.148 37.619 ( 21.478 -6.742 -1.146) 22.540 ======================= Grid point 61 (32/69) ======================= q-point: (-0.22 0.25 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.888 ( -22.985 7.696 5.046) 24.759 1.128 ( -23.735 12.583 -8.075) 28.052 1.314 ( -11.783 -3.159 -3.142) 12.597 1.554 ( -17.215 3.875 2.753) 17.860 1.649 ( -13.920 0.423 -0.537) 13.937 1.722 ( -9.961 5.154 -0.349) 11.221 1.810 ( -3.507 -1.036 -1.704) 4.034 1.941 ( 1.739 0.600 -1.850) 2.609 1.958 ( -3.887 5.264 2.021) 6.849 2.216 ( 0.620 4.312 4.073) 5.964 2.326 ( -0.873 -2.156 -4.210) 4.810 2.384 ( -1.977 4.300 -6.685) 8.191 2.434 ( 0.165 -6.118 4.173) 7.408 2.510 ( -5.670 -2.519 -2.473) 6.679 2.645 ( -7.379 -2.701 -5.348) 9.505 2.700 ( -0.453 0.704 -1.044) 1.338 2.723 ( 6.989 3.891 -2.618) 8.416 2.771 ( -3.861 -4.092 5.669) 7.987 2.868 ( 5.015 -0.614 -0.621) 5.090 2.882 ( -1.908 -1.986 -3.114) 4.157 2.967 ( -0.792 -0.984 4.152) 4.340 2.986 ( -0.233 -0.088 1.804) 1.821 3.061 ( -2.157 2.261 3.202) 4.474 3.119 ( -3.353 5.138 -0.922) 6.204 3.177 ( -4.579 0.437 -1.753) 4.923 3.247 ( -4.139 2.641 -3.597) 6.086 3.290 ( -4.505 -1.981 0.298) 4.931 3.366 ( -2.487 -0.723 4.719) 5.383 3.429 ( -6.301 -1.888 2.011) 6.878 3.441 ( -5.539 -5.431 -0.817) 7.800 3.544 ( -2.975 -0.491 -0.191) 3.021 3.594 ( -1.749 -2.745 -2.957) 4.398 3.759 ( -4.583 -5.691 -1.116) 7.391 3.800 ( -3.617 -6.501 -2.420) 7.823 3.871 ( -5.696 5.870 -5.279) 9.736 3.985 ( -6.885 -6.641 0.322) 9.571 4.029 ( 0.046 1.436 -7.374) 7.513 4.057 ( -5.026 2.638 6.789) 8.849 4.173 ( -3.255 3.076 -2.709) 5.234 4.249 ( -0.291 -0.423 0.733) 0.895 4.342 ( -2.341 1.151 0.138) 2.613 4.419 ( 4.199 -0.298 2.649) 4.973 4.444 ( 1.437 -11.743 1.088) 11.880 4.579 ( 4.653 -0.324 1.934) 5.049 4.593 ( 0.914 3.489 -0.310) 3.621 4.705 ( 8.248 -4.026 1.761) 9.346 4.804 ( 3.794 1.814 2.788) 5.045 4.817 ( 1.135 2.008 -0.030) 2.307 4.951 ( 0.835 3.284 -3.911) 5.175 5.001 ( 2.247 0.425 4.601) 5.138 5.092 ( 2.936 0.286 -0.552) 3.001 5.121 ( -0.577 5.439 2.561) 6.039 5.197 ( 2.683 -2.652 0.427) 3.797 5.219 ( 1.856 -0.623 -1.411) 2.413 5.271 ( 1.675 6.623 1.014) 6.906 5.368 ( -3.079 -1.037 -4.924) 5.899 5.512 ( 2.534 0.463 0.335) 2.598 5.546 ( -0.545 -2.059 -3.134) 3.789 5.584 ( 2.541 1.938 -1.931) 3.734 5.598 ( -3.478 -0.596 -4.664) 5.849 5.857 ( -4.364 -1.132 2.274) 5.050 5.891 ( -0.922 -0.556 2.034) 2.301 5.951 ( -1.715 -1.966 1.742) 3.137 5.956 ( -4.772 -2.166 -0.253) 5.246 6.075 ( 3.091 1.504 1.159) 3.627 6.106 ( 0.695 -0.326 0.752) 1.075 6.279 ( -6.709 7.896 3.138) 10.826 6.295 ( 0.649 0.579 2.877) 3.005 6.426 ( 3.326 -3.883 1.694) 5.386 6.548 ( -2.658 -4.697 -0.554) 5.426 6.608 ( 1.214 0.477 -2.528) 2.845 6.709 ( 1.534 0.017 -0.411) 1.588 6.724 ( -3.382 2.287 -0.031) 4.083 6.805 ( -4.169 -2.290 -1.186) 4.902 6.929 ( 1.283 1.672 -0.946) 2.310 7.068 ( 0.227 -4.427 0.714) 4.490 7.963 ( 18.398 3.194 -0.447) 18.678 7.997 ( 21.174 0.890 -0.307) 21.195 8.156 ( 14.034 -3.533 3.244) 14.830 8.223 ( 20.536 -4.317 -2.590) 21.145 8.671 ( -1.572 5.216 -2.032) 5.815 8.747 ( 0.672 4.411 -0.663) 4.511 8.841 ( -1.811 1.665 2.836) 3.754 8.943 ( -2.417 -0.052 -0.142) 2.422 9.042 ( -2.095 0.359 -1.914) 2.861 9.094 ( -3.378 -2.178 0.040) 4.020 9.111 ( -2.751 -1.388 1.302) 3.345 9.209 ( -5.650 -0.704 2.530) 6.230 9.268 ( 0.338 -4.552 -2.825) 5.368 9.353 ( -5.167 -5.289 4.245) 8.526 9.431 ( -8.113 1.676 -0.164) 8.286 9.455 ( -0.980 0.489 -0.765) 1.336 9.654 ( -1.737 3.707 -0.341) 4.108 9.763 ( 3.227 -2.234 -3.041) 4.965 9.907 ( 11.432 1.846 -0.866) 11.612 9.943 ( 12.078 0.676 1.887) 12.244 10.011 ( 11.540 -0.903 -1.035) 11.621 10.085 ( 10.197 -2.851 0.303) 10.593 10.221 ( 7.121 0.285 1.186) 7.225 10.272 ( 4.511 -0.567 0.625) 4.590 10.585 ( 5.386 2.172 0.519) 5.831 10.624 ( 6.354 2.797 -0.065) 6.943 10.701 ( 3.168 -1.888 -0.175) 3.693 10.779 ( 7.501 -3.420 0.340) 8.251 11.344 ( -10.225 -0.719 -0.265) 10.253 11.367 ( -8.985 1.177 0.734) 9.091 11.385 ( -7.567 -1.440 -0.991) 7.767 11.439 ( -4.609 -1.009 0.874) 4.798 11.777 ( 1.715 2.377 0.654) 3.003 11.833 ( 1.144 -0.483 -1.089) 1.651 11.878 ( 2.084 1.472 1.415) 2.917 11.923 ( -0.415 1.064 0.719) 1.350 11.940 ( 2.267 0.071 0.095) 2.270 12.017 ( -1.118 -2.288 1.357) 2.886 12.139 ( -0.432 0.570 -2.147) 2.263 12.228 ( 1.621 0.833 -1.007) 2.082 12.554 ( -2.717 3.496 1.318) 4.619 12.622 ( -3.388 5.957 -0.051) 6.853 12.737 ( -1.778 -4.292 -0.069) 4.646 12.794 ( -1.216 -1.985 -0.718) 2.436 13.149 ( -4.110 5.901 0.134) 7.193 13.159 ( -3.054 4.358 -0.467) 5.342 13.467 ( -9.121 -7.925 0.891) 12.115 13.515 ( -5.128 -11.975 0.207) 13.028 13.877 ( 4.435 9.813 -0.498) 10.780 13.923 ( 2.752 2.990 0.933) 4.169 14.005 ( 1.183 -1.100 -0.485) 1.687 14.088 ( 4.362 -1.256 -0.051) 4.540 14.171 ( -1.373 8.135 -0.228) 8.253 14.324 ( 2.501 9.813 1.158) 10.192 14.525 ( 2.394 0.119 -0.543) 2.458 14.600 ( -0.423 -2.617 -0.654) 2.731 14.772 ( -9.932 2.509 -0.183) 10.246 14.941 ( -7.324 3.466 0.151) 8.104 15.079 ( -4.988 -3.835 0.195) 6.295 15.091 ( -11.040 -1.702 -0.248) 11.173 15.176 ( -5.744 0.146 -0.004) 5.746 15.296 ( 2.682 1.490 -0.231) 3.077 15.319 ( -5.190 -3.304 -0.069) 6.153 15.418 ( 6.789 -2.178 -0.459) 7.145 15.566 ( -2.183 0.417 -1.697) 2.796 15.602 ( -4.869 -1.001 -1.582) 5.216 15.852 ( 1.594 -0.370 2.401) 2.906 15.940 ( 0.581 -4.291 -0.789) 4.402 16.278 ( -1.204 1.135 -0.857) 1.864 16.285 ( -1.845 0.171 -0.045) 1.854 16.381 ( -4.504 0.883 1.276) 4.764 16.565 ( 3.511 -7.684 3.213) 9.038 17.041 ( -0.273 0.441 -0.329) 0.614 17.063 ( -0.192 0.022 0.608) 0.638 17.121 ( -1.850 0.989 -0.407) 2.137 17.172 ( -1.746 -1.290 -0.753) 2.297 19.526 ( -4.702 2.034 -0.524) 5.150 19.649 ( -2.548 -2.674 -1.728) 4.078 19.754 ( -7.702 1.330 1.755) 8.011 19.838 ( -6.898 -1.953 2.427) 7.569 20.315 ( 8.503 1.940 2.667) 9.120 20.375 ( 7.349 -0.629 0.378) 7.386 20.630 ( 5.874 -0.190 -1.817) 6.152 20.646 ( 5.465 -0.945 -0.260) 5.553 21.691 ( -9.489 2.573 -1.871) 10.008 21.745 ( -10.636 2.338 -1.504) 10.994 21.871 ( -9.484 -0.667 1.075) 9.568 21.881 ( -10.252 -1.126 1.202) 10.383 22.793 ( 8.281 0.472 1.248) 8.388 22.818 ( 10.981 0.101 -3.421) 11.502 22.918 ( 8.605 -1.529 3.596) 9.450 22.962 ( 8.576 -4.916 -0.409) 9.894 26.807 ( -14.249 1.505 -0.155) 14.329 26.864 ( -17.707 0.415 0.738) 17.727 26.954 ( -18.334 3.646 -0.956) 18.717 27.502 ( -21.453 -28.934 2.463) 36.104 28.748 ( 22.408 4.817 0.574) 22.927 28.860 ( 24.570 7.594 0.104) 25.717 28.967 ( 18.483 -3.877 0.308) 18.887 29.084 ( 19.420 -4.051 -1.159) 19.872 30.058 ( -15.252 4.414 -0.269) 15.881 30.146 ( -5.785 8.829 1.829) 10.713 30.277 ( -10.572 -1.122 -1.160) 10.694 30.320 ( -3.314 -0.442 -0.087) 3.344 30.413 ( -4.810 1.110 1.078) 5.053 30.465 ( -12.306 -1.538 2.007) 12.563 30.694 ( -6.391 10.645 -0.238) 12.418 31.014 ( 1.790 -6.784 0.039) 7.016 31.261 ( 9.482 -1.116 0.634) 9.568 31.292 ( 6.749 -2.711 -1.348) 7.397 31.529 ( 13.816 6.748 1.480) 15.447 31.692 ( 7.708 -2.684 -0.719) 8.193 31.812 ( 0.664 4.545 0.910) 4.683 32.008 ( -2.397 -3.601 0.701) 4.382 32.240 ( -1.494 10.657 5.855) 12.251 32.346 ( -10.292 2.852 5.431) 11.981 32.386 ( -5.012 1.782 -4.052) 6.686 32.538 ( -11.893 -3.059 1.781) 12.409 32.615 ( -1.550 13.018 4.322) 13.804 32.965 ( 7.019 -2.418 2.715) 7.905 33.060 ( 3.757 5.733 -0.234) 6.858 33.465 ( 16.442 -7.657 7.950) 19.803 33.552 ( 9.099 1.092 1.981) 9.376 33.631 ( 8.405 -2.091 0.826) 8.701 34.247 ( -1.672 1.161 -18.671) 18.782 34.325 ( -0.196 -2.658 -10.465) 10.799 34.411 ( 1.274 1.272 -7.579) 7.790 34.424 ( 1.296 0.192 0.802) 1.536 34.999 ( 0.359 0.857 1.279) 1.581 35.054 ( 0.376 -1.124 -1.154) 1.654 35.112 ( -3.476 0.927 7.099) 7.959 35.157 ( -1.998 -0.024 -5.659) 6.002 35.203 ( -1.069 -0.272 -2.011) 2.293 35.223 ( -0.162 -0.769 -0.314) 0.846 35.282 ( -0.645 0.620 0.992) 1.336 35.350 ( -0.528 -2.106 -1.066) 2.419 35.847 ( -21.659 6.990 -0.468) 22.764 36.320 ( -18.703 -16.466 6.196) 25.677 37.557 ( 17.584 10.522 0.047) 20.492 37.933 ( 19.460 -6.790 -1.173) 20.644 ======================= Grid point 62 (33/69) ======================= q-point: (-0.11 0.25 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.670 ( -15.317 15.081 9.617) 23.548 0.774 ( -17.646 17.343 14.678) 28.768 1.154 ( -12.547 22.654 4.764) 26.332 1.293 ( -14.369 6.564 8.231) 17.813 1.510 ( -5.803 -8.096 0.141) 9.962 1.630 ( -5.920 4.320 1.365) 7.454 1.791 ( -1.562 -3.512 3.874) 5.457 1.898 ( -0.234 4.160 -1.593) 4.460 1.996 ( -0.082 3.069 5.230) 6.064 2.198 ( -2.086 2.534 -5.259) 6.199 2.239 ( -2.485 2.435 -6.957) 7.778 2.361 ( 1.186 3.080 3.623) 4.901 2.405 ( 0.034 1.324 -0.544) 1.432 2.472 ( -3.955 -5.119 0.256) 6.474 2.515 ( -2.338 -11.129 -1.935) 11.536 2.636 ( -6.074 -3.277 3.532) 7.753 2.711 ( 0.101 -2.078 -0.777) 2.220 2.740 ( 2.215 -0.956 -8.787) 9.113 2.822 ( 0.575 2.450 -3.161) 4.041 2.963 ( -1.080 1.862 -0.367) 2.183 2.986 ( 0.291 1.764 2.377) 2.974 3.032 ( -5.280 -0.261 0.179) 5.290 3.044 ( 2.560 1.940 1.422) 3.513 3.109 ( -0.264 0.880 3.340) 3.464 3.124 ( -4.720 2.203 -0.357) 5.221 3.172 ( -0.814 2.424 2.822) 3.808 3.227 ( -0.664 1.110 -3.761) 3.977 3.308 ( -4.524 -10.912 -1.888) 11.963 3.389 ( 1.087 -0.892 -0.646) 1.548 3.432 ( -1.271 -9.341 10.413) 14.046 3.526 ( -1.059 -0.737 2.872) 3.149 3.594 ( 1.029 -6.140 2.601) 6.747 3.651 ( -4.778 -1.788 -1.017) 5.202 3.728 ( -4.067 -0.887 1.730) 4.508 3.757 ( -3.407 7.477 -2.086) 8.477 3.912 ( -4.994 -10.741 2.980) 12.214 3.981 ( 2.337 0.471 -3.654) 4.363 4.033 ( -7.556 2.142 6.442) 10.158 4.123 ( -1.487 4.314 2.745) 5.325 4.275 ( -4.168 0.944 1.232) 4.448 4.344 ( 5.940 -1.547 4.545) 7.638 4.438 ( -0.544 -10.396 -0.941) 10.452 4.492 ( -0.270 -3.398 4.011) 5.263 4.575 ( -3.371 -0.903 -0.824) 3.585 4.660 ( 2.448 0.767 0.513) 2.616 4.710 ( -1.618 3.983 -5.531) 7.006 4.824 ( -0.606 2.946 -4.933) 5.778 4.863 ( 4.617 0.254 3.428) 5.756 4.944 ( 0.523 2.020 -0.702) 2.202 5.052 ( -1.611 -2.069 -2.857) 3.878 5.100 ( 2.069 3.830 0.041) 4.353 5.137 ( 1.665 1.109 -0.246) 2.016 5.192 ( -0.785 -1.446 -7.117) 7.304 5.265 ( 1.636 0.783 -0.193) 1.824 5.296 ( 3.068 -1.012 -0.311) 3.246 5.328 ( 3.516 -0.012 -0.645) 3.574 5.467 ( -1.105 3.021 -4.788) 5.769 5.528 ( 1.750 0.316 -3.471) 3.900 5.565 ( 2.996 2.728 -2.398) 4.708 5.632 ( 6.781 4.818 -2.403) 8.659 5.780 ( -5.367 1.394 -1.419) 5.723 5.890 ( -1.790 -2.548 0.050) 3.114 5.935 ( -1.340 -2.781 7.372) 7.992 5.982 ( -0.085 -1.024 2.305) 2.523 6.128 ( 1.548 -0.469 1.401) 2.140 6.135 ( 2.637 -0.462 -0.094) 2.679 6.222 ( -4.041 3.612 2.690) 6.051 6.318 ( -2.805 -0.174 1.756) 3.314 6.472 ( -0.609 -5.842 -0.826) 5.932 6.520 ( 0.591 -3.469 2.208) 4.155 6.567 ( -2.331 0.647 -0.321) 2.440 6.695 ( 2.010 -0.298 -1.013) 2.270 6.748 ( 0.933 0.973 -1.451) 1.981 6.820 ( 6.158 -0.680 3.109) 6.932 6.935 ( 0.712 2.444 1.130) 2.785 7.081 ( -0.000 -4.478 0.897) 4.567 8.235 ( 16.227 3.531 0.569) 16.617 8.291 ( 17.201 0.610 -1.115) 17.248 8.394 ( 12.352 -2.978 2.125) 12.882 8.495 ( 16.088 -4.437 -1.306) 16.740 8.608 ( -3.489 6.270 -1.762) 7.389 8.748 ( -0.065 3.798 0.052) 3.798 8.833 ( -2.985 -1.311 1.739) 3.695 8.867 ( -7.970 -0.460 0.233) 7.986 8.985 ( -4.057 -2.596 0.160) 4.819 9.034 ( -1.383 -2.106 -3.703) 4.479 9.103 ( -0.674 -1.692 0.757) 1.973 9.155 ( -3.749 1.835 1.980) 4.620 9.209 ( -3.878 -2.792 -1.560) 5.027 9.310 ( -7.014 2.595 1.293) 7.590 9.347 ( -0.117 -4.445 1.468) 4.682 9.431 ( -1.377 -0.907 -0.542) 1.736 9.633 ( -1.477 4.109 1.548) 4.633 9.795 ( 3.669 -3.664 -1.289) 5.343 10.053 ( 7.800 2.081 -0.857) 8.118 10.115 ( 6.410 1.517 2.086) 6.909 10.160 ( 8.486 1.021 -0.620) 8.570 10.209 ( 6.062 -0.393 -1.871) 6.356 10.299 ( 1.427 0.488 -0.717) 1.670 10.379 ( 8.715 -2.237 0.104) 8.999 10.667 ( 4.218 0.863 0.073) 4.306 10.712 ( 5.336 1.432 -1.240) 5.662 10.764 ( 3.940 0.268 1.295) 4.156 10.897 ( 5.607 -3.255 0.444) 6.498 11.181 ( -10.459 0.266 -0.145) 10.463 11.199 ( -10.109 3.069 -0.938) 10.607 11.303 ( -3.689 -3.807 0.508) 5.325 11.382 ( -2.994 -3.602 0.067) 4.685 11.795 ( -1.205 1.139 1.713) 2.384 11.829 ( 0.490 -0.353 -1.008) 1.175 11.898 ( -1.455 1.283 1.216) 2.290 11.953 ( 0.779 -1.527 -0.224) 1.729 11.974 ( 4.683 1.881 1.142) 5.174 12.037 ( 0.623 -0.491 1.633) 1.816 12.123 ( 1.933 5.538 -2.086) 6.225 12.244 ( 1.743 2.889 -1.195) 3.580 12.523 ( -2.853 4.448 0.492) 5.307 12.571 ( -1.771 6.592 -0.926) 6.888 12.704 ( -1.671 -3.199 0.310) 3.623 12.774 ( -0.709 -3.701 -0.240) 3.776 13.098 ( -2.711 4.165 0.297) 4.978 13.128 ( -0.266 -0.084 -0.744) 0.795 13.317 ( -9.288 -4.694 0.491) 10.418 13.358 ( -14.797 -13.462 -0.993) 20.029 13.983 ( 7.223 10.718 -0.501) 12.934 14.015 ( 7.308 1.446 -0.035) 7.450 14.065 ( 5.394 0.389 0.777) 5.464 14.137 ( -1.482 4.339 0.072) 4.586 14.190 ( 8.694 -0.765 -0.490) 8.742 14.380 ( 2.775 6.683 1.474) 7.385 14.507 ( -6.758 -1.073 0.824) 6.892 14.533 ( -4.795 -2.988 -2.422) 6.147 14.618 ( -6.053 3.309 -0.448) 6.913 14.804 ( -10.003 1.512 -1.187) 10.186 14.899 ( -10.446 -2.282 -0.916) 10.731 14.937 ( -10.967 -2.951 -1.744) 11.490 15.045 ( -11.082 4.708 0.847) 12.070 15.281 ( 5.109 3.937 -6.636) 9.255 15.359 ( 4.319 1.322 -1.688) 4.822 15.529 ( 7.821 -0.716 0.231) 7.857 15.568 ( 2.313 -1.117 -0.215) 2.578 15.592 ( 3.282 -1.594 -1.050) 3.796 15.815 ( -4.124 2.779 -6.158) 7.915 15.965 ( 4.449 -3.516 -3.219) 6.521 16.235 ( -2.156 0.537 -0.337) 2.248 16.247 ( -3.059 0.110 -0.119) 3.063 16.317 ( -5.431 0.686 1.630) 5.711 16.495 ( -13.126 -9.041 -7.243) 17.507 17.036 ( 0.044 0.836 -0.097) 0.843 17.068 ( -0.098 -0.151 0.259) 0.315 17.094 ( -0.914 1.016 -0.139) 1.374 17.137 ( -1.004 -0.920 -0.542) 1.466 19.476 ( -1.743 1.442 0.393) 2.296 19.593 ( -1.589 -0.503 -2.852) 3.303 19.686 ( -3.395 -1.417 1.632) 4.025 19.753 ( -4.660 -2.172 -0.845) 5.210 20.446 ( 4.310 1.033 2.287) 4.987 20.473 ( 4.483 -0.130 0.641) 4.531 20.687 ( 2.172 -0.082 -0.912) 2.357 20.695 ( 4.005 -0.132 -1.907) 4.437 21.578 ( -4.561 1.567 -1.044) 4.935 21.610 ( -3.645 0.953 0.885) 3.870 21.755 ( -7.179 -0.420 1.029) 7.265 21.761 ( -6.382 -0.551 0.887) 6.467 22.891 ( 2.656 -2.077 0.296) 3.385 22.918 ( 7.394 -1.178 -4.330) 8.650 23.084 ( 6.587 -0.353 3.546) 7.489 23.094 ( 7.717 -1.215 1.572) 7.969 26.630 ( -8.101 0.570 -0.198) 8.124 26.655 ( -9.922 0.028 0.866) 9.959 26.695 ( -12.468 2.411 -0.945) 12.734 27.015 ( -35.406 -22.883 -7.490) 42.817 29.093 ( 21.855 4.036 0.116) 22.224 29.187 ( 16.350 4.354 -1.376) 16.975 29.276 ( 19.445 -3.434 1.852) 19.832 29.330 ( 12.623 -2.046 0.154) 12.788 29.787 ( -19.350 4.542 0.320) 19.879 29.977 ( -18.963 -2.933 2.489) 19.349 30.222 ( 7.043 11.626 -2.140) 13.760 30.296 ( -1.381 0.177 0.075) 1.395 30.319 ( -6.811 1.134 2.507) 7.346 30.393 ( -1.149 -1.738 -0.255) 2.099 30.612 ( 0.313 13.428 -8.426) 15.855 30.974 ( -5.819 -9.340 -4.151) 11.761 31.363 ( 5.306 -0.028 -0.911) 5.384 31.379 ( 3.495 -1.153 0.778) 3.762 31.709 ( 10.982 4.696 -6.291) 13.499 31.795 ( 10.912 -0.593 -2.475) 11.205 31.881 ( 5.966 2.375 0.253) 6.427 31.989 ( 0.210 -1.590 -1.162) 1.980 32.123 ( -7.443 5.613 -6.455) 11.339 32.238 ( -5.392 0.124 -4.208) 6.841 32.260 ( -9.164 1.870 0.906) 9.397 32.329 ( -14.831 -1.619 -0.358) 14.924 32.625 ( 8.325 36.146 -49.102) 61.537 33.041 ( 2.508 -1.679 -2.160) 3.711 33.182 ( 9.583 11.249 -12.926) 19.633 33.601 ( 4.819 -0.255 -8.909) 10.132 33.709 ( 4.399 -1.442 -7.732) 9.012 33.746 ( 12.107 -3.127 -21.863) 25.186 34.012 ( 0.504 0.201 0.937) 1.083 34.053 ( 3.523 -1.805 -10.211) 10.951 34.418 ( -1.375 0.706 2.335) 2.800 34.452 ( -0.552 -0.677 3.727) 3.828 34.925 ( -4.054 1.982 -1.629) 4.798 35.032 ( -3.800 -2.590 -0.775) 4.664 35.082 ( 0.161 1.677 -2.022) 2.632 35.164 ( -1.187 -0.595 -0.376) 1.380 35.222 ( 0.708 -1.016 5.910) 6.039 35.243 ( 1.165 -1.164 6.499) 6.705 35.341 ( 0.838 -0.363 3.365) 3.487 35.394 ( 2.139 -1.568 6.538) 7.056 35.668 ( -16.102 10.157 27.178) 33.182 36.451 ( -8.468 -37.787 67.461) 77.786 37.784 ( 13.960 10.501 -3.231) 17.765 38.160 ( 11.842 -7.286 -2.545) 14.135 ======================= Grid point 63 (34/69) ======================= q-point: ( 0.00 -0.50 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 68 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.062 ( -3.716 -22.025 0.137) 22.336 1.062 ( -3.716 22.025 0.137) 22.336 1.265 ( 1.769 -12.199 29.983) 32.418 1.265 ( 1.769 12.199 29.983) 32.418 1.661 ( 2.401 -11.494 -5.616) 13.016 1.661 ( 2.401 11.494 -5.616) 13.016 1.823 ( -1.527 -20.405 0.188) 20.463 1.823 ( -1.527 20.405 0.188) 20.463 2.110 ( -1.375 -10.092 1.862) 10.354 2.110 ( -1.375 10.092 1.862) 10.354 2.236 ( 3.410 -4.606 -3.678) 6.810 2.236 ( 3.410 4.606 -3.678) 6.810 2.445 ( 3.787 -2.729 4.716) 6.635 2.445 ( 3.787 2.729 4.716) 6.635 2.469 ( -4.430 -6.397 2.701) 8.237 2.469 ( -4.430 6.397 2.701) 8.237 2.719 ( 3.903 -2.708 -3.849) 6.114 2.719 ( 3.903 2.708 -3.849) 6.114 2.867 ( -4.398 -3.740 0.298) 5.781 2.867 ( -4.398 3.740 0.298) 5.781 2.960 ( 1.326 -5.291 -2.628) 6.055 2.960 ( 1.326 5.291 -2.628) 6.055 3.096 ( -2.467 -5.822 0.031) 6.324 3.096 ( -2.467 5.822 0.031) 6.324 3.124 ( -2.468 -3.239 -0.502) 4.103 3.124 ( -2.468 3.239 -0.502) 4.103 3.285 ( 4.119 -6.677 0.815) 7.887 3.285 ( 4.119 6.677 0.815) 7.887 3.353 ( 1.215 -4.352 -0.996) 4.627 3.353 ( 1.215 4.352 -0.996) 4.627 3.581 ( -0.535 -5.479 6.262) 8.337 3.581 ( -0.535 5.479 6.262) 8.337 3.689 ( -1.878 -6.286 8.630) 10.841 3.689 ( -1.878 6.286 8.630) 10.841 3.920 ( 4.642 -5.265 4.169) 8.164 3.920 ( 4.642 5.265 4.169) 8.164 4.028 ( -1.257 -11.113 5.243) 12.352 4.028 ( -1.257 11.113 5.243) 12.352 4.189 ( 0.523 -6.525 -0.999) 6.622 4.189 ( 0.523 6.525 -0.999) 6.622 4.421 ( 0.638 -2.713 5.362) 6.043 4.421 ( 0.638 2.713 5.362) 6.043 4.484 ( -1.542 -6.459 4.230) 7.874 4.484 ( -1.542 6.459 4.230) 7.874 4.691 ( -0.043 -2.679 -4.905) 5.589 4.691 ( -0.043 2.679 -4.905) 5.589 4.831 ( 2.101 -3.336 -6.527) 7.626 4.831 ( 2.101 3.336 -6.527) 7.626 4.907 ( -3.892 -3.364 -3.870) 6.437 4.907 ( -3.892 3.364 -3.870) 6.437 5.147 ( -0.198 -1.487 -0.600) 1.615 5.147 ( -0.198 1.487 -0.600) 1.615 5.213 ( 4.014 -4.900 -5.249) 8.226 5.213 ( 4.014 4.900 -5.249) 8.226 5.314 ( -0.855 -0.986 -2.418) 2.748 5.314 ( -0.855 0.986 -2.418) 2.748 5.489 ( 1.578 -3.168 -3.402) 4.909 5.489 ( 1.578 3.168 -3.402) 4.909 5.618 ( -1.196 -4.260 -5.196) 6.825 5.618 ( -1.196 4.260 -5.196) 6.825 5.825 ( 2.280 -4.571 -0.049) 5.109 5.825 ( 2.280 4.571 -0.049) 5.109 5.918 ( -4.520 -3.337 3.040) 6.388 5.918 ( -4.520 3.337 3.040) 6.388 6.164 ( -1.731 -1.683 -0.030) 2.415 6.164 ( -1.731 1.683 -0.030) 2.415 6.207 ( 1.738 -4.277 -2.702) 5.350 6.207 ( 1.738 4.277 -2.702) 5.350 6.450 ( -3.294 -4.665 4.354) 7.182 6.450 ( -3.294 4.665 4.354) 7.182 6.636 ( 1.685 -3.937 1.604) 4.573 6.636 ( 1.685 3.937 1.604) 4.573 6.846 ( 1.363 -3.470 0.142) 3.731 6.846 ( 1.363 3.470 0.142) 3.731 6.993 ( 0.770 -4.166 -1.188) 4.400 6.993 ( 0.770 4.166 -1.188) 4.400 8.468 ( 1.257 -1.483 -0.038) 1.945 8.468 ( 1.257 1.483 -0.038) 1.945 8.513 ( -3.008 -5.909 0.024) 6.630 8.513 ( -3.008 5.909 0.024) 6.630 8.724 ( 3.450 -2.083 -0.173) 4.034 8.724 ( 3.450 2.083 -0.173) 4.034 8.770 ( -1.067 -5.844 -0.663) 5.978 8.770 ( -1.067 5.844 -0.663) 5.978 8.927 ( -0.093 -5.468 -0.502) 5.492 8.927 ( -0.093 5.468 -0.502) 5.492 9.076 ( -0.647 -2.242 -1.925) 3.025 9.076 ( -0.647 2.242 -1.925) 3.025 9.258 ( -0.609 -3.907 1.698) 4.303 9.258 ( -0.609 3.907 1.698) 4.303 9.353 ( -0.547 -2.270 1.270) 2.658 9.353 ( -0.547 2.270 1.270) 2.658 9.736 ( 1.128 -5.349 1.442) 5.654 9.736 ( 1.128 5.349 1.442) 5.654 10.151 ( 0.472 -2.208 -3.932) 4.534 10.151 ( 0.472 2.208 -3.932) 4.534 10.252 ( -1.168 -3.438 0.804) 3.719 10.252 ( -1.168 3.438 0.804) 3.719 10.367 ( 0.162 -4.745 -0.604) 4.786 10.367 ( 0.162 4.745 -0.604) 4.786 10.737 ( 0.429 -2.674 0.923) 2.861 10.737 ( 0.429 2.674 0.923) 2.861 10.847 ( -1.211 -4.791 -1.310) 5.112 10.847 ( -1.211 4.791 -1.310) 5.112 11.150 ( 0.023 -3.572 -0.788) 3.658 11.150 ( 0.023 3.572 -0.788) 3.658 11.245 ( 0.369 -4.854 0.531) 4.897 11.245 ( 0.369 4.854 0.531) 4.897 11.811 ( 0.007 -1.337 0.015) 1.338 11.811 ( 0.007 1.337 0.015) 1.338 11.916 ( -1.298 -0.726 0.260) 1.510 11.916 ( -1.298 0.726 0.260) 1.510 12.059 ( -0.753 -0.785 1.421) 1.790 12.059 ( -0.753 0.785 1.421) 1.790 12.258 ( 1.750 -3.730 -1.291) 4.318 12.258 ( 1.750 3.730 -1.291) 4.318 12.593 ( -0.711 -4.325 0.047) 4.383 12.593 ( -0.711 4.325 0.047) 4.383 12.675 ( 0.765 -4.612 0.353) 4.688 12.675 ( 0.765 4.612 0.353) 4.688 13.130 ( 0.775 -1.602 0.192) 1.789 13.130 ( 0.775 1.602 0.192) 1.789 13.162 ( -0.693 -3.980 0.138) 4.042 13.162 ( -0.693 3.980 0.138) 4.042 14.097 ( -1.076 -1.068 0.596) 1.629 14.097 ( -1.076 1.068 0.596) 1.629 14.191 ( 1.976 -1.313 -2.413) 3.384 14.191 ( 1.976 1.313 -2.413) 3.384 14.328 ( -1.788 -5.688 1.382) 6.120 14.328 ( -1.788 5.688 1.382) 6.120 14.470 ( 0.818 -2.641 1.485) 3.138 14.470 ( 0.818 2.641 1.485) 3.138 14.610 ( -0.242 -4.152 0.216) 4.165 14.610 ( -0.242 4.152 0.216) 4.165 14.779 ( 1.748 -3.509 -3.769) 5.438 14.779 ( 1.748 3.509 -3.769) 5.438 15.139 ( -1.309 -13.112 3.528) 13.641 15.139 ( -1.309 13.112 3.528) 13.641 15.539 ( 0.708 -2.678 -2.203) 3.540 15.539 ( 0.708 2.678 -2.203) 3.540 15.634 ( 3.961 -0.549 -0.895) 4.098 15.634 ( 3.961 0.549 -0.895) 4.098 15.826 ( -2.866 -10.662 -9.424) 14.516 15.826 ( -2.866 10.662 -9.424) 14.516 16.223 ( -0.814 -0.439 0.185) 0.944 16.223 ( -0.814 0.439 0.185) 0.944 16.249 ( -1.076 -1.582 0.169) 1.920 16.249 ( -1.076 1.582 0.169) 1.920 17.063 ( 0.001 -0.829 0.496) 0.967 17.063 ( 0.001 0.829 0.496) 0.967 17.114 ( 0.422 -1.369 0.164) 1.442 17.114 ( 0.422 1.369 0.164) 1.442 19.520 ( 0.837 -3.949 -1.693) 4.377 19.520 ( 0.837 3.949 -1.693) 4.377 19.655 ( -1.101 -1.968 -0.140) 2.259 19.655 ( -1.101 1.968 -0.140) 2.259 20.505 ( -1.229 -1.024 1.463) 2.168 20.505 ( -1.229 1.024 1.463) 2.168 20.710 ( 1.125 -0.909 -1.252) 1.912 20.710 ( 1.125 0.909 -1.252) 1.912 21.579 ( 1.690 -2.234 0.653) 2.876 21.579 ( 1.690 2.234 0.653) 2.876 21.693 ( -1.645 -0.830 0.424) 1.891 21.693 ( -1.645 0.830 0.424) 1.891 22.906 ( 0.953 -1.826 -3.159) 3.771 22.906 ( 0.953 1.826 -3.159) 3.771 23.163 ( -1.281 -0.440 1.466) 1.996 23.163 ( -1.281 0.440 1.466) 1.996 26.567 ( -0.241 -0.181 -0.405) 0.505 26.567 ( -0.241 0.181 -0.405) 0.505 26.621 ( 0.491 -0.289 -0.015) 0.570 26.621 ( 0.491 0.289 -0.015) 0.570 29.363 ( 0.125 -1.895 1.837) 2.642 29.363 ( 0.125 1.895 1.837) 2.642 29.493 ( 1.715 -1.476 -0.857) 2.419 29.493 ( 1.715 1.476 -0.857) 2.419 29.653 ( -2.446 -9.157 5.673) 11.046 29.653 ( -2.446 9.157 5.673) 11.046 30.294 ( -0.439 -0.984 -0.385) 1.145 30.294 ( -0.439 0.984 -0.385) 1.145 30.316 ( -1.275 -3.163 -0.640) 3.470 30.316 ( -1.275 3.163 -0.640) 3.470 30.730 ( 1.505 -7.713 -9.695) 12.480 30.730 ( 1.505 7.713 -9.695) 12.480 31.407 ( -0.199 -1.489 1.152) 1.893 31.407 ( -0.199 1.489 1.152) 1.893 31.859 ( 3.414 -4.520 -5.080) 7.609 31.859 ( 3.414 4.520 -5.080) 7.609 31.972 ( 0.535 -2.582 -1.456) 3.012 31.972 ( 0.535 2.582 -1.456) 3.012 32.121 ( -3.253 -3.060 -1.510) 4.714 32.121 ( -3.253 3.060 -1.510) 4.714 32.137 ( -1.093 -3.442 -1.005) 3.749 32.137 ( -1.093 3.442 -1.005) 3.749 32.626 ( -2.293 -23.952 -45.768) 51.707 32.626 ( -2.293 23.952 -45.768) 51.707 33.210 ( -0.523 -6.034 -9.586) 11.339 33.210 ( -0.523 6.034 -9.586) 11.339 33.639 ( -0.484 -3.448 -8.513) 9.197 33.639 ( -0.484 3.448 -8.513) 9.197 34.228 ( 11.240 -0.416 3.538) 11.791 34.228 ( 11.240 0.416 3.538) 11.791 34.452 ( -0.512 -2.152 1.429) 2.633 34.452 ( -0.512 2.152 1.429) 2.633 34.929 ( -2.744 -2.870 1.957) 4.427 34.929 ( -2.744 2.870 1.957) 4.427 35.117 ( 0.761 -2.594 -1.177) 2.948 35.117 ( 0.761 2.594 -1.177) 2.948 35.269 ( 0.328 -1.718 3.188) 3.636 35.269 ( 0.328 1.718 3.188) 3.636 35.407 ( 1.368 -1.184 -0.676) 1.931 35.407 ( 1.368 1.184 -0.676) 1.931 36.383 ( -5.412 -28.782 54.852) 62.181 36.383 ( -5.412 28.782 54.852) 62.181 38.023 ( 0.621 -11.238 -6.824) 13.162 38.023 ( 0.621 11.238 -6.824) 13.162 ======================= Grid point 65 (35/69) ======================= q-point: ( 0.11 -0.50 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 68 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.027 ( 3.246 -18.137 1.960) 18.529 1.027 ( 3.246 18.137 1.960) 18.529 1.612 ( 6.521 -1.544 6.243) 9.159 1.612 ( 6.521 1.544 6.243) 9.159 1.708 ( 7.373 -4.155 3.921) 9.328 1.708 ( 7.373 4.155 3.921) 9.328 1.867 ( 4.266 -7.021 6.936) 10.752 1.867 ( 4.266 7.021 6.936) 10.752 2.102 ( -2.652 -6.262 4.340) 8.067 2.102 ( -2.652 6.262 4.340) 8.067 2.315 ( 1.485 -8.121 2.624) 8.663 2.315 ( 1.485 8.121 2.624) 8.663 2.404 ( 2.468 -0.399 -4.734) 5.353 2.404 ( 2.468 0.399 -4.734) 5.353 2.575 ( 0.119 -7.300 4.294) 8.470 2.575 ( 0.119 7.300 4.294) 8.470 2.739 ( 6.071 -2.804 -0.916) 6.750 2.739 ( 6.071 2.804 -0.916) 6.750 2.829 ( 1.255 -3.187 -1.550) 3.760 2.829 ( 1.255 3.187 -1.550) 3.760 2.941 ( 1.445 -2.369 -3.395) 4.384 2.941 ( 1.445 2.369 -3.395) 4.384 3.018 ( -1.592 -5.209 -2.574) 6.025 3.018 ( -1.592 5.209 -2.574) 6.025 3.194 ( 0.720 -3.825 1.675) 4.237 3.194 ( 0.720 3.825 1.675) 4.237 3.275 ( 4.957 -5.081 -0.083) 7.099 3.275 ( 4.957 5.081 -0.083) 7.099 3.450 ( 6.896 -1.888 -2.574) 7.599 3.450 ( 6.896 1.888 -2.574) 7.599 3.637 ( -0.119 -4.959 7.190) 8.735 3.637 ( -0.119 4.959 7.190) 8.735 3.729 ( -3.541 -10.206 5.387) 12.072 3.729 ( -3.541 10.206 5.387) 12.072 4.011 ( 3.497 -4.106 -1.652) 5.641 4.011 ( 3.497 4.106 -1.652) 5.641 4.113 ( 0.863 -7.817 7.005) 10.531 4.113 ( 0.863 7.817 7.005) 10.531 4.193 ( 0.030 -3.490 2.683) 4.402 4.193 ( 0.030 3.490 2.683) 4.402 4.428 ( -3.425 -1.993 3.285) 5.147 4.428 ( -3.425 1.993 3.285) 5.147 4.538 ( 0.486 -8.543 0.861) 8.600 4.538 ( 0.486 8.543 0.861) 8.600 4.612 ( -3.314 -1.646 -2.002) 4.207 4.612 ( -3.314 1.646 -2.002) 4.207 4.785 ( 2.409 -3.506 -11.363) 12.133 4.785 ( 2.409 3.506 -11.363) 12.133 4.846 ( -0.177 -0.606 0.696) 0.939 4.846 ( -0.177 0.606 0.696) 0.939 5.057 ( -3.725 -1.076 -6.318) 7.413 5.057 ( -3.725 1.076 -6.318) 7.413 5.229 ( 1.272 -2.456 -2.561) 3.769 5.229 ( 1.272 2.456 -2.561) 3.769 5.281 ( 1.181 -6.172 -0.162) 6.286 5.281 ( 1.181 6.172 -0.162) 6.286 5.489 ( 2.158 -0.169 -3.248) 3.904 5.489 ( 2.158 0.169 -3.248) 3.904 5.529 ( -3.882 -2.032 -2.382) 4.988 5.529 ( -3.882 2.032 -2.382) 4.988 5.845 ( 0.223 -2.993 -0.666) 3.074 5.845 ( 0.223 2.993 -0.666) 3.074 5.943 ( 2.902 -2.821 5.035) 6.460 5.943 ( 2.902 2.821 5.035) 6.460 6.098 ( -0.979 -0.761 -2.691) 2.963 6.098 ( -0.979 0.761 -2.691) 2.963 6.258 ( 3.195 -3.113 -0.318) 4.472 6.258 ( 3.195 3.113 -0.318) 4.472 6.439 ( -3.582 -5.937 3.547) 7.789 6.439 ( -3.582 5.937 3.547) 7.789 6.679 ( 1.588 -3.593 0.925) 4.036 6.679 ( 1.588 3.593 0.925) 4.036 6.829 ( -3.032 -5.362 0.287) 6.167 6.829 ( -3.032 5.362 0.287) 6.167 7.000 ( 1.230 -6.027 -1.191) 6.265 7.000 ( 1.230 6.027 -1.191) 6.265 8.307 ( -17.319 -2.242 0.698) 17.477 8.307 ( -17.319 2.242 0.698) 17.477 8.362 ( -14.250 -7.503 -1.028) 16.138 8.362 ( -14.250 7.503 -1.028) 16.138 8.766 ( 3.165 -2.788 -0.716) 4.278 8.766 ( 3.165 2.788 -0.716) 4.278 8.844 ( 4.171 -3.867 -0.468) 5.707 8.844 ( 4.171 3.867 -0.468) 5.707 8.947 ( 4.161 -3.735 -0.389) 5.605 8.947 ( 4.161 3.735 -0.389) 5.605 9.066 ( 1.803 -1.624 -1.337) 2.771 9.066 ( 1.803 1.624 -1.337) 2.771 9.272 ( 0.441 -2.394 2.058) 3.188 9.272 ( 0.441 2.394 2.058) 3.188 9.394 ( 3.712 -0.526 0.731) 3.820 9.394 ( 3.712 0.526 0.731) 3.820 9.780 ( 1.428 -5.230 2.417) 5.936 9.780 ( 1.428 5.230 2.417) 5.936 10.050 ( -5.484 -0.144 -4.996) 7.420 10.050 ( -5.484 0.144 -4.996) 7.420 10.189 ( -9.077 -2.729 2.748) 9.868 10.189 ( -9.077 2.729 2.748) 9.868 10.310 ( -5.742 -1.008 -1.283) 5.969 10.310 ( -5.742 1.008 -1.283) 5.969 10.717 ( -4.423 -3.642 0.678) 5.770 10.717 ( -4.423 3.642 0.678) 5.770 10.780 ( -4.834 -4.477 -0.834) 6.641 10.780 ( -4.834 4.477 -0.834) 6.641 11.208 ( 7.604 -1.823 -0.551) 7.839 11.208 ( 7.604 1.823 -0.551) 7.839 11.303 ( 6.044 -2.100 0.383) 6.410 11.303 ( 6.044 2.100 0.383) 6.410 11.832 ( 2.220 -1.827 0.223) 2.884 11.832 ( 2.220 1.827 0.223) 2.884 11.892 ( -1.815 -0.969 0.076) 2.059 11.892 ( -1.815 0.969 0.076) 2.059 12.041 ( -3.350 -1.079 2.072) 4.084 12.041 ( -3.350 1.079 2.072) 4.084 12.231 ( -2.702 -2.606 -1.980) 4.244 12.231 ( -2.702 2.606 -1.980) 4.244 12.599 ( 1.500 -4.363 0.157) 4.616 12.599 ( 1.500 4.363 0.157) 4.616 12.703 ( 1.939 -4.749 0.022) 5.130 12.703 ( 1.939 4.749 0.022) 5.130 13.190 ( 5.543 -5.306 -0.346) 7.681 13.190 ( 5.543 5.306 -0.346) 7.681 13.206 ( 5.999 -5.587 0.469) 8.211 13.206 ( 5.999 5.587 0.469) 8.211 14.039 ( -5.698 -1.345 0.690) 5.895 14.039 ( -5.698 1.345 0.690) 5.895 14.133 ( -7.168 -3.044 -1.301) 7.895 14.133 ( -7.168 3.044 -1.301) 7.895 14.325 ( 3.862 -3.883 0.869) 5.545 14.325 ( 3.862 3.883 0.869) 5.545 14.523 ( 2.054 -4.914 0.583) 5.358 14.523 ( 2.054 4.914 0.583) 5.358 14.730 ( 11.306 -5.747 0.929) 12.717 14.730 ( 11.306 5.747 0.929) 12.717 14.872 ( 13.764 -2.586 -3.225) 14.371 14.872 ( 13.764 2.586 -3.225) 14.371 15.182 ( 0.971 -12.130 3.042) 12.543 15.182 ( 0.971 12.130 3.042) 12.543 15.464 ( -6.361 -5.999 -3.590) 9.452 15.464 ( -6.361 5.999 -3.590) 9.452 15.635 ( -3.511 -1.587 1.957) 4.322 15.635 ( -3.511 1.587 1.957) 4.322 15.690 ( 1.656 -9.427 -7.652) 12.254 15.690 ( 1.656 9.427 -7.652) 12.254 16.253 ( 4.152 -0.852 -0.254) 4.246 16.253 ( 4.152 0.852 -0.254) 4.246 16.295 ( 4.545 -1.179 -0.018) 4.695 16.295 ( 4.545 1.179 -0.018) 4.695 17.065 ( -0.289 -0.554 0.415) 0.750 17.065 ( -0.289 0.554 0.415) 0.750 17.127 ( 1.117 -1.637 -0.112) 1.985 17.127 ( 1.117 1.637 -0.112) 1.985 19.524 ( 2.236 -3.292 -1.712) 4.332 19.524 ( 2.236 3.292 -1.712) 4.332 19.665 ( 2.290 -1.290 0.234) 2.638 19.665 ( 2.290 1.290 0.234) 2.638 20.463 ( -6.076 -2.055 1.502) 6.587 20.463 ( -6.076 2.055 1.502) 6.587 20.689 ( -2.083 -1.025 -1.454) 2.739 20.689 ( -2.083 1.025 -1.454) 2.739 21.657 ( 7.322 -1.852 -0.228) 7.556 21.657 ( 7.322 1.852 -0.228) 7.556 21.719 ( 4.360 -2.061 0.976) 4.920 21.719 ( 4.360 2.061 0.976) 4.920 22.853 ( -3.338 -1.934 -2.604) 4.654 22.853 ( -3.338 1.934 -2.604) 4.654 23.098 ( -8.481 -0.624 2.018) 8.740 23.098 ( -8.481 0.624 2.018) 8.740 26.641 ( 9.974 -0.746 0.006) 10.002 26.641 ( 9.974 0.746 0.006) 10.002 26.749 ( 14.981 -2.870 -1.590) 15.336 26.749 ( 14.981 2.870 -1.590) 15.336 29.213 ( -21.520 -5.813 1.708) 22.357 29.213 ( -21.520 5.813 1.708) 22.357 29.286 ( -15.479 -4.159 0.269) 16.031 29.286 ( -15.479 4.159 0.269) 16.031 29.944 ( 18.137 -7.637 5.367) 20.398 29.944 ( 18.137 7.637 5.367) 20.398 30.259 ( -0.302 -3.267 -2.105) 3.898 30.259 ( -0.302 3.267 -2.105) 3.898 30.326 ( 3.408 -1.902 -0.586) 3.946 30.326 ( 3.408 1.902 -0.586) 3.946 30.680 ( 6.780 -11.115 -10.297) 16.599 30.680 ( 6.780 11.115 -10.297) 16.599 31.383 ( -4.850 -3.189 1.395) 5.970 31.383 ( -4.850 3.189 1.395) 5.970 31.673 ( -10.722 -10.011 -11.491) 18.634 31.673 ( -10.722 10.011 -11.491) 18.634 31.928 ( -4.785 -4.794 -0.548) 6.796 31.928 ( -4.785 4.794 -0.548) 6.796 32.049 ( 3.020 -10.043 -10.535) 14.865 32.049 ( 3.020 10.043 -10.535) 14.865 32.207 ( 10.845 -3.687 -0.527) 11.467 32.207 ( 10.845 3.687 -0.527) 11.467 32.414 ( 11.579 -5.664 -7.351) 14.838 32.414 ( 11.579 5.664 -7.351) 14.838 33.169 ( -0.565 -1.688 -0.090) 1.782 33.169 ( -0.565 1.688 -0.090) 1.782 33.514 ( -3.419 -3.608 -7.408) 8.921 33.514 ( -3.419 3.608 -7.408) 8.921 34.336 ( -1.296 -2.747 -0.876) 3.161 34.336 ( -1.296 2.747 -0.876) 3.161 34.483 ( 5.185 -0.437 0.817) 5.267 34.483 ( 5.185 0.437 0.817) 5.267 34.925 ( -1.023 -3.356 2.218) 4.151 34.925 ( -1.023 3.356 2.218) 4.151 35.123 ( 1.605 -2.774 -1.305) 3.461 35.123 ( 1.605 2.774 -1.305) 3.461 35.302 ( -0.292 -1.573 2.792) 3.218 35.302 ( -0.292 1.573 2.792) 3.218 35.419 ( 1.633 -0.863 -1.093) 2.146 35.419 ( 1.633 0.863 -1.093) 2.146 36.792 ( -7.275 -24.070 35.506) 43.508 36.792 ( -7.275 24.070 35.506) 43.508 37.862 ( -9.494 -13.063 -8.540) 18.268 37.862 ( -9.494 13.063 -8.540) 18.268 ======================= Grid point 67 (36/69) ======================= q-point: ( 0.22 -0.50 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 68 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.259 ( 18.255 -6.754 7.131) 20.729 1.259 ( 18.255 6.754 7.131) 20.729 1.696 ( 6.981 -6.578 -8.898) 13.084 1.696 ( 6.981 6.578 -8.898) 13.084 1.809 ( 4.361 -5.199 0.408) 6.798 1.809 ( 4.361 5.199 0.408) 6.798 1.989 ( 1.169 -7.265 -0.117) 7.359 1.989 ( 1.169 7.265 -0.117) 7.359 2.173 ( 1.636 -2.293 3.095) 4.185 2.173 ( 1.636 2.293 3.095) 4.185 2.271 ( -2.138 -3.942 8.154) 9.306 2.271 ( -2.138 3.942 8.154) 9.306 2.473 ( 3.200 -8.721 -3.794) 10.034 2.473 ( 3.200 8.721 -3.794) 10.034 2.594 ( 2.210 -5.962 5.490) 8.400 2.594 ( 2.210 5.962 5.490) 8.400 2.799 ( -0.727 -6.286 -1.921) 6.613 2.799 ( -0.727 6.286 -1.921) 6.613 2.878 ( 2.195 -2.849 -1.589) 3.932 2.878 ( 2.195 2.849 -1.589) 3.932 2.979 ( 9.020 -0.957 1.177) 9.146 2.979 ( 9.020 0.957 1.177) 9.146 3.005 ( 1.321 -5.731 -0.696) 5.922 3.005 ( 1.321 5.731 -0.696) 5.922 3.208 ( 3.727 -1.927 -1.556) 4.475 3.208 ( 3.727 1.927 -1.556) 4.475 3.388 ( 5.761 -5.318 -1.095) 7.916 3.388 ( 5.761 5.318 -1.095) 7.916 3.492 ( 2.859 -3.709 -0.228) 4.689 3.492 ( 2.859 3.709 -0.228) 4.689 3.712 ( 0.403 -3.877 2.970) 4.901 3.712 ( 0.403 3.877 2.970) 4.901 3.739 ( 0.895 -5.261 0.527) 5.362 3.739 ( 0.895 5.261 0.527) 5.362 3.958 ( 0.548 -3.065 -7.581) 8.196 3.958 ( 0.548 3.065 -7.581) 8.196 4.193 ( -0.399 -7.058 4.442) 8.348 4.193 ( -0.399 7.058 4.442) 8.348 4.284 ( 2.567 -1.664 9.132) 9.631 4.284 ( 2.567 1.664 9.132) 9.631 4.392 ( -3.860 -5.336 1.975) 6.876 4.392 ( -3.860 5.336 1.975) 6.876 4.474 ( -3.671 -3.387 -5.974) 7.787 4.474 ( -3.671 3.387 -5.974) 7.787 4.555 ( -3.973 -5.498 -0.316) 6.791 4.555 ( -3.973 5.498 -0.316) 6.791 4.701 ( 1.050 -2.325 -7.280) 7.714 4.701 ( 1.050 2.325 -7.280) 7.714 4.886 ( 2.351 -1.172 4.008) 4.792 4.886 ( 2.351 1.172 4.008) 4.792 4.969 ( -1.662 -3.063 -1.582) 3.828 4.969 ( -1.662 3.063 -1.582) 3.828 5.230 ( 1.528 -4.483 -0.005) 4.736 5.230 ( 1.528 4.483 -0.005) 4.736 5.304 ( 0.161 -7.752 -0.250) 7.758 5.304 ( 0.161 7.752 -0.250) 7.758 5.439 ( -0.771 -3.427 -3.752) 5.140 5.439 ( -0.771 3.427 -3.752) 5.140 5.474 ( -2.258 -2.164 -3.108) 4.409 5.474 ( -2.258 2.164 -3.108) 4.409 5.855 ( 3.365 -1.847 -0.561) 3.879 5.855 ( 3.365 1.847 -0.561) 3.879 6.024 ( 0.518 -2.336 1.466) 2.806 6.024 ( 0.518 2.336 1.466) 2.806 6.149 ( 5.140 -1.857 4.830) 7.294 6.149 ( 5.140 1.857 4.830) 7.294 6.277 ( 2.223 -3.933 -2.004) 4.942 6.277 ( 2.223 3.933 -2.004) 4.942 6.430 ( -1.378 -6.388 1.850) 6.792 6.430 ( -1.378 6.388 1.850) 6.792 6.696 ( -1.377 -4.624 0.600) 4.862 6.696 ( -1.377 4.624 0.600) 4.862 6.783 ( -1.374 -4.846 -0.388) 5.052 6.783 ( -1.374 4.846 -0.388) 5.052 7.000 ( 0.736 -5.258 -0.966) 5.397 7.000 ( 0.736 5.258 -0.966) 5.397 8.007 ( -21.015 -3.198 -0.331) 21.259 8.007 ( -21.015 3.198 -0.331) 21.259 8.107 ( -16.768 -8.362 -0.503) 18.744 8.107 ( -16.768 8.362 -0.503) 18.744 8.793 ( 1.666 -2.888 -0.922) 3.459 8.793 ( 1.666 2.888 -0.922) 3.459 8.862 ( 0.477 -1.773 -0.506) 1.905 8.862 ( 0.477 1.773 -0.506) 1.905 9.026 ( 5.244 -0.591 -0.438) 5.295 9.026 ( 5.244 0.591 -0.438) 5.295 9.090 ( 1.917 -1.126 -0.093) 2.225 9.090 ( 1.917 1.126 -0.093) 2.225 9.323 ( 2.260 -2.188 2.882) 4.267 9.323 ( 2.260 2.188 2.882) 4.267 9.463 ( 4.292 -0.601 -0.255) 4.341 9.463 ( 4.292 0.601 -0.255) 4.341 9.805 ( -2.728 -3.926 1.393) 4.980 9.805 ( -2.728 3.926 1.393) 4.980 9.909 ( -6.034 -0.519 -2.949) 6.736 9.909 ( -6.034 0.519 -2.949) 6.736 10.076 ( -8.919 -2.673 4.190) 10.210 10.076 ( -8.919 2.673 4.190) 10.210 10.180 ( -7.638 -2.143 -2.354) 8.275 10.180 ( -7.638 2.143 -2.354) 8.275 10.624 ( -6.625 -3.621 -0.375) 7.559 10.624 ( -6.625 3.621 -0.375) 7.559 10.703 ( -5.007 -3.482 0.458) 6.116 10.703 ( -5.007 3.482 0.458) 6.116 11.337 ( 8.990 -0.531 -0.445) 9.017 11.337 ( 8.990 0.531 -0.445) 9.017 11.425 ( 8.000 -1.009 0.711) 8.094 11.425 ( 8.000 1.009 0.711) 8.094 11.825 ( -3.557 -1.316 -0.156) 3.795 11.825 ( -3.557 1.316 -0.156) 3.795 11.901 ( 2.846 -5.000 -0.059) 5.754 11.901 ( 2.846 5.000 -0.059) 5.754 12.008 ( -3.701 -0.908 1.874) 4.247 12.008 ( -3.701 0.908 1.874) 4.247 12.165 ( -1.974 -2.161 -1.711) 3.390 12.165 ( -1.974 2.161 -1.711) 3.390 12.643 ( 3.085 -3.597 0.992) 4.841 12.643 ( 3.085 3.597 0.992) 4.841 12.728 ( 1.628 -3.750 -0.715) 4.150 12.728 ( 1.628 3.750 -0.715) 4.150 13.284 ( 6.608 -8.623 -0.140) 10.865 13.284 ( 6.608 8.623 -0.140) 10.865 13.319 ( 7.350 -9.258 0.240) 11.824 13.319 ( 7.350 9.258 0.240) 11.824 13.974 ( -2.895 -3.291 0.759) 4.449 13.974 ( -2.895 3.291 0.759) 4.449 14.024 ( -3.768 -3.300 -1.026) 5.112 14.024 ( -3.768 3.300 -1.026) 5.112 14.411 ( 2.628 -0.696 1.773) 3.246 14.411 ( 2.628 0.696 1.773) 3.246 14.519 ( -1.420 -3.826 -1.370) 4.305 14.519 ( -1.420 3.826 -1.370) 4.305 14.908 ( 7.578 -5.242 1.704) 9.370 14.908 ( 7.578 5.242 1.704) 9.370 15.045 ( 9.533 -1.488 -1.918) 9.837 15.045 ( 9.533 1.488 -1.918) 9.837 15.227 ( 3.002 -4.896 1.335) 5.896 15.227 ( 3.002 4.896 1.335) 5.896 15.322 ( -4.785 -4.115 -2.033) 6.631 15.322 ( -4.785 4.115 -2.033) 6.631 15.653 ( 3.543 -1.879 -5.101) 6.489 15.653 ( 3.543 1.879 -5.101) 6.489 15.681 ( 4.545 -1.482 2.755) 5.517 15.681 ( 4.545 1.482 2.755) 5.517 16.296 ( 1.802 -1.011 -1.232) 2.405 16.296 ( 1.802 1.011 -1.232) 2.405 16.369 ( 3.228 -0.460 1.655) 3.657 16.369 ( 3.228 0.460 1.655) 3.657 17.071 ( 0.662 -0.481 0.569) 0.997 17.071 ( 0.662 0.481 0.569) 0.997 17.141 ( 1.270 -1.678 -0.849) 2.269 17.141 ( 1.270 1.678 -0.849) 2.269 19.558 ( 4.800 -1.702 -1.590) 5.335 19.558 ( 4.800 1.702 -1.590) 5.335 19.732 ( 5.635 -0.142 0.808) 5.694 19.732 ( 5.635 0.142 0.808) 5.694 20.360 ( -9.283 -2.848 1.726) 9.862 20.360 ( -9.283 2.848 1.726) 9.862 20.614 ( -5.215 -1.733 -1.625) 5.731 20.614 ( -5.215 1.733 -1.625) 5.731 21.778 ( 10.090 -1.073 -1.886) 10.321 21.778 ( 10.090 1.073 -1.886) 10.321 21.850 ( 9.407 -2.025 2.061) 9.841 21.850 ( 9.407 2.025 2.061) 9.841 22.754 ( -6.180 -2.596 -1.667) 6.907 22.754 ( -6.180 2.596 -1.667) 6.907 22.964 ( -11.441 -1.643 1.867) 11.708 22.964 ( -11.441 1.643 1.867) 11.708 26.865 ( 17.781 -2.604 0.701) 17.984 26.865 ( 17.781 2.604 0.701) 17.984 26.996 ( 19.084 -3.636 -2.143) 19.545 26.996 ( 19.084 3.636 -2.143) 19.545 28.873 ( -23.589 -5.563 1.345) 24.274 28.873 ( -23.589 5.563 1.345) 24.274 28.986 ( -21.655 -5.343 -1.143) 22.334 28.986 ( -21.655 5.343 -1.143) 22.334 30.209 ( 8.564 -1.240 1.524) 8.787 30.209 ( 8.564 1.240 1.524) 8.787 30.291 ( 5.360 -3.321 0.709) 6.345 30.291 ( 5.360 3.321 0.709) 6.345 30.436 ( 10.889 -1.355 3.175) 11.423 30.436 ( 10.889 1.355 3.175) 11.423 30.696 ( 7.555 -9.327 -7.578) 14.195 30.696 ( 7.555 9.327 -7.578) 14.195 31.284 ( -9.641 -5.082 0.651) 10.918 31.284 ( -9.641 5.082 0.651) 10.918 31.403 ( -10.026 -6.497 -5.797) 13.279 31.403 ( -10.026 6.497 -5.797) 13.279 31.894 ( 0.770 -2.674 0.500) 2.828 31.894 ( 0.770 2.674 0.500) 2.828 32.016 ( 2.764 -0.773 -4.409) 5.261 32.016 ( 2.764 0.773 -4.409) 5.261 32.406 ( 12.610 -1.743 2.001) 12.887 32.406 ( 12.610 1.743 2.001) 12.887 32.589 ( 14.614 -1.705 -1.103) 14.754 32.589 ( 14.614 1.705 -1.103) 14.754 33.164 ( -0.880 -0.446 0.560) 1.135 33.164 ( -0.880 0.446 0.560) 1.135 33.390 ( -4.689 -1.949 -3.136) 5.969 33.390 ( -4.689 1.949 -3.136) 5.969 34.223 ( -6.232 -3.826 -5.821) 9.347 34.223 ( -6.232 3.826 -5.821) 9.347 34.586 ( 5.064 -1.510 1.430) 5.474 34.586 ( 5.064 1.510 1.430) 5.474 34.941 ( -0.595 -4.309 2.784) 5.164 34.941 ( -0.595 4.309 2.784) 5.164 35.132 ( 1.680 -2.457 -1.748) 3.452 35.132 ( 1.680 2.457 -1.748) 3.452 35.326 ( 0.497 -0.906 1.313) 1.671 35.326 ( 0.497 0.906 1.313) 1.671 35.431 ( 1.434 -0.906 -1.126) 2.035 35.431 ( 1.434 0.906 -1.126) 2.035 36.968 ( -8.817 -13.437 19.501) 25.270 36.968 ( -8.817 13.437 19.501) 25.270 37.576 ( -14.010 -12.090 -8.215) 20.247 37.576 ( -14.010 12.090 -8.215) 20.247 ======================= Grid point 69 (37/69) ======================= q-point: ( 0.33 -0.50 -0.80) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 68 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.537 ( 2.060 -1.813 -4.382) 5.170 1.537 ( 2.060 1.813 -4.382) 5.170 1.710 ( 13.945 -3.754 1.196) 14.490 1.710 ( 13.945 3.754 1.196) 14.490 1.830 ( -0.999 -4.370 -0.614) 4.525 1.830 ( -0.999 4.370 -0.614) 4.525 2.058 ( 6.601 -2.807 -0.190) 7.175 2.058 ( 6.601 2.807 -0.190) 7.175 2.219 ( 4.305 -6.347 0.954) 7.728 2.219 ( 4.305 6.347 0.954) 7.728 2.318 ( 2.456 -3.110 -1.828) 4.364 2.318 ( 2.456 3.110 -1.828) 4.364 2.525 ( 1.777 -2.494 2.054) 3.688 2.525 ( 1.777 2.494 2.054) 3.688 2.673 ( 4.257 -1.120 -3.159) 5.418 2.673 ( 4.257 1.120 -3.159) 5.418 2.767 ( 1.654 -1.911 -0.915) 2.688 2.767 ( 1.654 1.911 -0.915) 2.688 2.894 ( 2.167 -2.911 0.776) 3.711 2.894 ( 2.167 2.911 0.776) 3.711 2.986 ( -1.003 -3.543 1.318) 3.912 2.986 ( -1.003 3.543 1.318) 3.912 3.090 ( 0.237 -4.927 -3.505) 6.052 3.090 ( 0.237 4.927 -3.505) 6.052 3.264 ( 2.341 -2.315 2.592) 4.190 3.264 ( 2.341 2.315 2.592) 4.190 3.427 ( 2.037 -1.760 -0.331) 2.712 3.427 ( 2.037 1.760 -0.331) 2.712 3.541 ( 2.692 -4.551 -0.294) 5.296 3.541 ( 2.692 4.551 -0.294) 5.296 3.680 ( -0.208 -2.456 -1.295) 2.784 3.680 ( -0.208 2.456 -1.295) 2.784 3.787 ( 2.733 -3.896 -0.927) 4.848 3.787 ( 2.733 3.896 -0.927) 4.848 3.978 ( 8.250 -1.022 -2.334) 8.634 3.978 ( 8.250 1.022 -2.334) 8.634 4.204 ( -0.742 -4.036 1.600) 4.405 4.204 ( -0.742 4.037 1.600) 4.405 4.282 ( -1.946 -6.803 -7.971) 10.658 4.282 ( -1.946 6.803 -7.971) 10.658 4.364 ( -2.159 -5.095 3.161) 6.372 4.364 ( -2.159 5.095 3.161) 6.372 4.469 ( -3.753 -1.656 -0.468) 4.129 4.469 ( -3.753 1.656 -0.468) 4.129 4.527 ( 3.082 -2.185 7.438) 8.342 4.527 ( 3.082 2.185 7.438) 8.342 4.652 ( -1.902 -1.988 -0.682) 2.835 4.652 ( -1.902 1.988 -0.682) 2.835 4.921 ( 0.323 -6.492 0.880) 6.559 4.921 ( 0.323 6.492 0.880) 6.559 5.007 ( 0.141 -2.186 5.186) 5.629 5.007 ( 0.141 2.186 5.186) 5.629 5.218 ( -2.824 -8.938 -2.148) 9.616 5.218 ( -2.824 8.938 -2.148) 9.616 5.309 ( 1.670 -7.101 0.700) 7.328 5.309 ( 1.670 7.101 0.700) 7.328 5.392 ( -3.316 -1.560 -1.021) 3.804 5.392 ( -3.316 1.560 -1.021) 3.804 5.413 ( 0.924 -6.595 -1.911) 6.929 5.413 ( 0.924 6.595 -1.911) 6.929 5.934 ( 5.883 -0.859 0.026) 5.945 5.934 ( 5.883 0.859 0.026) 5.945 6.049 ( 2.413 -2.146 0.239) 3.238 6.049 ( 2.413 2.146 0.239) 3.238 6.182 ( -1.763 -3.297 -1.257) 3.944 6.182 ( -1.763 3.297 -1.257) 3.944 6.347 ( 2.886 -4.889 0.975) 5.761 6.347 ( 2.886 4.889 0.975) 5.761 6.436 ( 0.702 -4.352 1.391) 4.623 6.436 ( 0.702 4.352 1.391) 4.623 6.636 ( -4.793 -3.351 -0.420) 5.863 6.636 ( -4.793 3.351 -0.420) 5.863 6.822 ( 5.401 -2.889 1.052) 6.215 6.822 ( 5.401 2.889 1.052) 6.215 7.019 ( 2.825 -3.400 -0.028) 4.421 7.019 ( 2.825 3.400 -0.028) 4.421 7.678 ( -19.787 -2.967 -0.946) 20.030 7.678 ( -19.787 2.967 -0.946) 20.030 7.859 ( -14.236 -8.771 -0.142) 16.721 7.859 ( -14.236 8.771 -0.142) 16.721 8.801 ( 0.696 -1.433 -0.712) 1.745 8.801 ( 0.696 1.433 -0.712) 1.745 8.868 ( 0.771 -4.015 -0.080) 4.089 8.868 ( 0.771 4.015 -0.080) 4.089 9.079 ( 2.742 -0.725 -1.232) 3.092 9.079 ( 2.742 0.725 -1.232) 3.092 9.127 ( 2.001 -1.859 1.298) 3.025 9.127 ( 2.001 1.859 1.298) 3.025 9.387 ( 0.855 -2.065 3.517) 4.167 9.387 ( 0.855 2.065 3.517) 4.167 9.516 ( 4.089 -1.724 -1.149) 4.584 9.516 ( 4.089 1.724 -1.149) 4.584 9.705 ( -9.384 -1.205 -0.061) 9.461 9.705 ( -9.384 1.205 -0.061) 9.461 9.821 ( -2.806 -0.683 -0.850) 3.010 9.821 ( -2.806 0.683 -0.850) 3.010 9.966 ( -8.356 -4.213 -2.559) 9.702 9.966 ( -8.356 4.213 -2.559) 9.702 10.099 ( -1.994 -3.828 2.463) 4.970 10.099 ( -1.994 3.828 2.464) 4.970 10.538 ( -3.583 -3.357 0.011) 4.910 10.538 ( -3.583 3.357 0.011) 4.910 10.634 ( -4.331 -2.434 0.151) 4.971 10.634 ( -4.331 2.434 0.151) 4.971 11.459 ( 6.781 -1.165 -0.139) 6.881 11.459 ( 6.781 1.165 -0.139) 6.881 11.529 ( 3.940 -1.465 0.431) 4.226 11.529 ( 3.940 1.465 0.431) 4.226 11.770 ( -2.227 -0.290 -0.500) 2.300 11.770 ( -2.227 0.290 -0.500) 2.300 11.925 ( 0.007 -1.987 -0.895) 2.179 11.925 ( 0.007 1.987 -0.895) 2.179 11.986 ( -0.920 -1.846 1.687) 2.665 11.986 ( -0.920 1.846 1.687) 2.665 12.144 ( 0.708 -1.554 -0.704) 1.847 12.144 ( 0.708 1.554 -0.704) 1.847 12.698 ( 1.660 -2.935 1.366) 3.638 12.698 ( 1.660 2.935 1.366) 3.638 12.732 ( 0.470 -2.360 -1.311) 2.740 12.732 ( 0.470 2.360 -1.311) 2.740 13.375 ( 5.052 -9.048 -0.099) 10.363 13.375 ( 5.052 9.048 -0.099) 10.363 13.420 ( 4.843 -9.006 0.341) 10.231 13.420 ( 4.843 9.006 0.341) 10.231 13.978 ( 2.860 -2.296 0.107) 3.669 13.978 ( 2.860 2.296 0.107) 3.669 14.012 ( 3.083 -0.389 -0.510) 3.149 14.012 ( 3.083 0.389 -0.510) 3.149 14.391 ( -6.272 -4.261 0.859) 7.631 14.391 ( -6.272 4.261 0.859) 7.631 14.468 ( -3.764 -7.112 -1.268) 8.146 14.468 ( -3.764 7.112 -1.268) 8.146 14.970 ( -0.400 -4.079 1.154) 4.258 14.970 ( -0.400 4.079 1.154) 4.258 15.075 ( -1.871 -3.841 -0.776) 4.343 15.075 ( -1.871 3.841 -0.776) 4.343 15.295 ( 3.631 -2.893 -0.391) 4.659 15.295 ( 3.631 2.893 -0.391) 4.659 15.348 ( 7.477 -2.433 0.259) 7.867 15.348 ( 7.477 2.433 0.259) 7.867 15.687 ( 7.223 -1.143 -2.882) 7.860 15.687 ( 7.223 1.143 -2.882) 7.860 15.802 ( 5.487 -0.531 2.376) 6.003 15.802 ( 5.487 0.531 2.376) 6.003 16.287 ( -1.182 -0.544 -0.493) 1.391 16.287 ( -1.182 0.544 -0.493) 1.391 16.407 ( -0.794 -0.397 1.445) 1.696 16.407 ( -0.794 0.397 1.445) 1.696 17.101 ( 2.037 -0.420 0.999) 2.307 17.101 ( 2.037 0.420 0.999) 2.307 17.144 ( 0.650 -1.471 -1.456) 2.169 17.144 ( 0.650 1.471 -1.456) 2.169 19.642 ( 7.934 -0.407 -1.209) 8.036 19.642 ( 7.934 0.407 -1.209) 8.036 19.849 ( 7.231 -1.224 1.674) 7.523 19.849 ( 7.231 1.224 1.674) 7.523 20.224 ( -10.712 -2.686 2.059) 11.234 20.224 ( -10.712 2.686 2.059) 11.234 20.504 ( -6.390 -2.289 -1.350) 6.921 20.504 ( -6.390 2.289 -1.350) 6.921 21.931 ( 11.737 -1.357 -1.167) 11.873 21.931 ( 11.737 1.357 -1.167) 11.873 22.024 ( 10.177 -1.708 1.043) 10.372 22.024 ( 10.177 1.708 1.043) 10.372 22.630 ( -7.824 -3.620 -1.079) 8.688 22.630 ( -7.824 3.620 -1.079) 8.688 22.798 ( -11.683 -2.137 1.076) 11.926 22.798 ( -11.683 2.137 1.076) 11.926 27.160 ( 19.237 -5.210 -1.161) 19.964 27.160 ( 19.237 5.210 -1.161) 19.964 27.290 ( 19.072 -6.850 1.821) 20.346 27.290 ( 19.072 6.850 1.821) 20.346 28.533 ( -22.329 -6.174 1.615) 23.223 28.533 ( -22.329 6.174 1.615) 23.223 28.636 ( -20.296 -7.686 -1.620) 21.763 28.636 ( -20.296 7.686 -1.620) 21.763 30.313 ( 5.657 -3.209 0.085) 6.505 30.313 ( 5.657 3.209 0.085) 6.505 30.379 ( 5.224 -1.496 -0.060) 5.435 30.379 ( 5.224 1.496 -0.060) 5.435 30.664 ( 9.084 -4.457 3.962) 10.866 30.664 ( 9.084 4.457 3.962) 10.866 30.744 ( 6.766 -6.768 -1.689) 9.718 30.744 ( 6.766 6.768 -1.689) 9.718 31.112 ( -10.688 -3.135 -1.235) 11.207 31.112 ( -10.688 3.135 -1.235) 11.207 31.248 ( -7.740 -0.983 1.287) 7.907 31.248 ( -7.740 0.983 1.287) 7.907 31.938 ( 3.072 -3.959 0.304) 5.020 31.938 ( 3.072 3.959 0.304) 5.020 32.031 ( 1.714 -9.308 1.331) 9.557 32.031 ( 1.714 9.308 1.331) 9.557 32.610 ( 9.139 -0.843 3.014) 9.660 32.610 ( 9.139 0.843 3.014) 9.660 32.803 ( 13.742 -0.239 -1.117) 13.790 32.803 ( 13.742 0.239 -1.117) 13.790 33.143 ( -0.997 -0.436 -1.703) 2.021 33.143 ( -0.997 0.436 -1.703) 2.021 33.305 ( -5.872 -0.568 2.264) 6.319 33.305 ( -5.872 0.568 2.264) 6.319 34.065 ( -4.641 -2.665 -5.010) 7.331 34.065 ( -4.641 2.665 -5.010) 7.331 34.653 ( 2.994 -1.425 -0.958) 3.451 34.653 ( 2.994 1.425 -0.958) 3.451 34.962 ( -1.339 -5.048 3.504) 6.289 34.962 ( -1.339 5.048 3.504) 6.289 35.139 ( 1.814 -1.778 -1.678) 3.044 35.139 ( 1.814 1.778 -1.678) 3.044 35.342 ( 1.219 -0.856 -1.150) 1.881 35.342 ( 1.219 0.856 -1.150) 1.881 35.438 ( 0.929 -1.080 -1.130) 1.819 35.438 ( 0.929 1.080 -1.130) 1.819 36.966 ( -7.576 -2.145 4.163) 8.907 36.966 ( -7.576 2.145 4.163) 8.907 37.302 ( -11.463 -5.658 -3.899) 13.364 37.302 ( -11.463 5.658 -3.899) 13.364 ======================= Grid point 71 (38/69) ======================= q-point: ( 0.44 -0.50 -0.80) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 68 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.533 ( 4.549 -5.006 2.309) 7.147 1.533 ( 4.549 5.006 2.309) 7.147 1.797 ( -2.304 -4.473 0.627) 5.070 1.797 ( -2.304 4.473 0.627) 5.070 1.893 ( 5.090 -3.718 -1.695) 6.528 1.893 ( 5.090 3.718 -1.695) 6.528 2.061 ( -1.701 -4.976 -4.469) 6.901 2.061 ( -1.701 4.976 -4.469) 6.901 2.259 ( -0.945 -4.848 -0.942) 5.028 2.259 ( -0.945 4.848 -0.942) 5.028 2.408 ( 5.749 -4.797 -3.872) 8.429 2.408 ( 5.749 4.797 -3.872) 8.429 2.542 ( 8.859 -2.575 -3.240) 9.779 2.542 ( 8.859 2.575 -3.240) 9.779 2.690 ( 1.120 -4.744 -1.850) 5.214 2.690 ( 1.120 4.744 -1.850) 5.214 2.795 ( -0.358 -3.856 -0.079) 3.874 2.795 ( -0.358 3.856 -0.079) 3.874 2.892 ( -7.656 -4.959 3.169) 9.656 2.892 ( -7.656 4.959 3.169) 9.656 2.996 ( 1.561 -5.114 -5.199) 7.458 2.996 ( 1.561 5.114 -5.199) 7.458 3.077 ( 4.580 -3.311 7.508) 9.397 3.077 ( 4.580 3.311 7.508) 9.397 3.304 ( 0.438 -2.989 2.030) 3.639 3.304 ( 0.438 2.989 2.030) 3.639 3.446 ( 0.629 -5.985 -1.308) 6.158 3.446 ( 0.629 5.985 -1.308) 6.158 3.547 ( -0.975 -4.874 -0.299) 4.979 3.547 ( -0.975 4.874 -0.299) 4.979 3.714 ( 1.934 -5.070 0.215) 5.431 3.714 ( 1.934 5.070 0.215) 5.431 3.814 ( 2.822 -7.646 0.907) 8.201 3.814 ( 2.822 7.646 0.907) 8.201 4.060 ( 4.402 -3.859 -4.641) 7.470 4.060 ( 4.402 3.859 -4.641) 7.470 4.207 ( 2.497 -5.875 -2.089) 6.717 4.207 ( 2.497 5.875 -2.089) 6.717 4.247 ( 1.854 -2.553 1.028) 3.319 4.247 ( 1.854 2.553 1.028) 3.319 4.366 ( -1.665 -6.224 0.568) 6.468 4.366 ( -1.665 6.224 0.568) 6.468 4.402 ( -3.013 -3.107 2.196) 4.854 4.402 ( -3.013 3.107 2.196) 4.854 4.569 ( -3.645 -1.902 -2.347) 4.734 4.569 ( -3.645 1.902 -2.347) 4.734 4.660 ( 1.665 -2.811 3.992) 5.158 4.660 ( 1.665 2.811 3.992) 5.158 4.945 ( -2.273 -2.263 1.545) 3.560 4.945 ( -2.273 2.263 1.545) 3.560 4.997 ( -3.948 -7.542 1.286) 8.610 4.997 ( -3.948 7.542 1.286) 8.610 5.179 ( 0.987 -7.077 1.195) 7.245 5.179 ( 0.987 7.077 1.195) 7.245 5.319 ( -1.792 -1.957 -0.757) 2.760 5.319 ( -1.792 1.957 -0.757) 2.760 5.374 ( 1.187 -4.086 2.214) 4.797 5.374 ( 1.187 4.086 2.214) 4.797 5.447 ( 2.064 -6.404 3.331) 7.508 5.447 ( 2.064 6.404 3.331) 7.508 5.997 ( 2.981 -4.801 -1.558) 5.862 5.997 ( 2.981 4.801 -1.558) 5.862 6.078 ( -0.796 -1.693 -1.314) 2.286 6.078 ( -0.796 1.693 -1.314) 2.286 6.150 ( 1.017 -1.949 -1.068) 2.444 6.150 ( 1.017 1.949 -1.068) 2.444 6.337 ( -0.616 -3.445 -2.038) 4.050 6.337 ( -0.616 3.445 -2.038) 4.050 6.473 ( 0.817 -0.501 1.407) 1.702 6.473 ( 0.817 0.501 1.407) 1.702 6.582 ( -2.187 -1.983 1.191) 3.184 6.582 ( -2.187 1.983 1.191) 3.184 6.938 ( 5.789 -4.197 0.981) 7.218 6.938 ( 5.789 4.197 0.981) 7.218 7.065 ( 1.040 -1.827 0.505) 2.162 7.065 ( 1.040 1.827 0.505) 2.162 7.428 ( -9.488 -2.536 0.455) 9.832 7.428 ( -9.488 2.536 0.455) 9.832 7.688 ( -6.171 -7.973 -0.866) 10.120 7.688 ( -6.171 7.973 -0.866) 10.120 8.800 ( 0.338 -0.653 -0.973) 1.219 8.800 ( 0.338 0.653 -0.973) 1.219 8.881 ( 0.584 -3.885 0.521) 3.963 8.881 ( 0.584 3.885 0.521) 3.963 9.101 ( 1.516 -0.495 0.007) 1.595 9.101 ( 1.516 0.495 0.007) 1.595 9.164 ( 1.284 -2.221 0.502) 2.614 9.164 ( 1.284 2.221 0.502) 2.614 9.416 ( -3.302 -3.029 3.893) 5.936 9.416 ( -3.302 3.029 3.893) 5.936 9.549 ( -1.110 -1.220 -0.243) 1.668 9.549 ( -1.110 1.220 -0.243) 1.668 9.602 ( 1.379 -1.489 -2.053) 2.887 9.602 ( 1.379 1.489 -2.053) 2.887 9.751 ( -5.444 -2.028 -1.920) 6.119 9.751 ( -5.444 2.028 -1.920) 6.119 9.865 ( 1.085 -1.188 -1.739) 2.369 9.865 ( 1.085 1.188 -1.739) 2.369 10.087 ( -2.468 -3.141 0.088) 3.995 10.087 ( -2.468 3.141 0.088) 3.995 10.517 ( -0.420 -3.382 0.897) 3.524 10.517 ( -0.420 3.382 0.897) 3.524 10.582 ( -1.876 -3.562 -0.075) 4.026 10.582 ( -1.876 3.562 -0.075) 4.026 11.529 ( 1.877 -2.081 0.261) 2.815 11.529 ( 1.877 2.081 0.261) 2.815 11.566 ( 1.093 -1.856 0.516) 2.214 11.566 ( 1.093 1.856 0.516) 2.214 11.751 ( 0.111 -0.058 -0.336) 0.358 11.751 ( 0.111 0.058 -0.336) 0.358 11.898 ( -0.635 -2.853 -2.074) 3.584 11.898 ( -0.635 2.853 -2.074) 3.584 11.995 ( -0.694 -2.749 1.140) 3.056 11.995 ( -0.694 2.749 1.140) 3.056 12.159 ( 1.362 -0.398 -0.249) 1.440 12.159 ( 1.362 0.398 -0.249) 1.440 12.700 ( -0.792 -2.188 -0.892) 2.492 12.700 ( -0.792 2.188 -0.892) 2.492 12.741 ( 0.770 -1.381 0.586) 1.686 12.741 ( 0.770 1.381 0.586) 1.686 13.432 ( 2.368 -6.292 -0.025) 6.723 13.432 ( 2.368 6.292 -0.025) 6.723 13.467 ( 0.910 -6.429 0.009) 6.493 13.467 ( 0.910 6.429 0.009) 6.493 14.048 ( 4.522 -4.652 0.030) 6.487 14.048 ( 4.522 4.652 0.030) 6.487 14.079 ( 4.702 -3.696 -0.292) 5.987 14.079 ( 4.702 3.696 -0.292) 5.987 14.288 ( -6.209 -2.704 0.103) 6.773 14.288 ( -6.209 2.704 0.103) 6.773 14.382 ( -4.078 -5.932 -0.872) 7.252 14.382 ( -4.078 5.932 -0.872) 7.252 14.962 ( -1.109 -2.025 0.414) 2.345 14.962 ( -1.109 2.025 0.414) 2.345 15.033 ( -1.632 -2.527 -0.413) 3.036 15.033 ( -1.632 2.527 -0.413) 3.036 15.347 ( 2.634 -1.246 -0.123) 2.917 15.347 ( 2.634 1.246 -0.123) 2.917 15.432 ( 2.793 -1.698 -0.521) 3.310 15.432 ( 2.793 1.698 -0.521) 3.310 15.780 ( 5.172 -1.383 -0.097) 5.354 15.780 ( 5.172 1.383 -0.097) 5.354 15.874 ( 1.360 -1.630 0.621) 2.212 15.874 ( 1.360 1.630 0.621) 2.212 16.268 ( -0.999 -0.389 0.985) 1.456 16.268 ( -0.999 0.389 0.985) 1.456 16.389 ( -1.827 -0.964 0.135) 2.071 16.389 ( -1.827 0.964 0.135) 2.071 17.126 ( -0.680 -0.635 -1.081) 1.426 17.126 ( -0.680 0.635 -1.081) 1.426 17.147 ( 2.038 -1.541 0.488) 2.601 17.147 ( 2.038 1.541 0.488) 2.601 19.761 ( 7.980 -1.462 -0.840) 8.156 19.761 ( 7.980 1.462 -0.840) 8.156 19.948 ( 1.694 -1.944 0.736) 2.682 19.948 ( 1.694 1.944 0.736) 2.682 20.095 ( -7.977 -2.174 2.786) 8.725 20.095 ( -7.977 2.174 2.786) 8.725 20.418 ( -2.428 -2.263 0.027) 3.319 20.418 ( -2.428 2.263 0.027) 3.319 22.090 ( 7.873 -2.814 0.118) 8.361 22.090 ( 7.873 2.814 0.118) 8.361 22.158 ( 5.320 -3.009 -0.156) 6.114 22.158 ( 5.320 3.009 -0.156) 6.114 22.509 ( -5.025 -3.338 -0.813) 6.087 22.509 ( -5.025 3.338 -0.813) 6.087 22.653 ( -6.990 -1.508 0.514) 7.169 22.653 ( -6.990 1.508 0.514) 7.169 27.405 ( 12.794 -6.549 -0.511) 14.382 27.405 ( 12.794 6.549 -0.511) 14.382 27.556 ( 8.383 -10.748 1.700) 13.736 27.556 ( 8.383 10.748 1.700) 13.736 28.247 ( -13.566 -5.260 1.481) 14.626 28.247 ( -13.566 5.260 1.481) 14.626 28.386 ( -9.012 -9.685 -0.181) 13.231 28.386 ( -9.012 9.685 -0.181) 13.231 30.378 ( 2.165 -1.735 -0.231) 2.784 30.378 ( 2.165 1.735 -0.231) 2.784 30.439 ( 2.677 -0.710 -1.063) 2.967 30.439 ( 2.677 0.710 -1.063) 2.967 30.765 ( 3.259 -2.489 1.332) 4.312 30.765 ( 3.259 2.489 1.332) 4.312 30.876 ( 5.114 -2.890 4.314) 7.289 30.876 ( 5.114 2.890 4.314) 7.289 30.959 ( -7.298 -3.076 -0.689) 7.950 30.959 ( -7.298 3.076 -0.689) 7.950 31.187 ( -3.314 -1.212 4.039) 5.363 31.187 ( -3.314 1.212 4.039) 5.363 31.970 ( 1.020 -2.652 -0.028) 2.842 31.970 ( 1.020 2.652 -0.028) 2.842 32.104 ( 1.078 -9.479 7.104) 11.895 32.104 ( 1.078 9.479 7.104) 11.895 32.710 ( 0.786 -1.024 -0.245) 1.314 32.710 ( 0.786 1.024 -0.245) 1.314 32.962 ( 8.747 -1.072 -3.134) 9.353 32.962 ( 8.747 1.072 -3.134) 9.353 33.113 ( 0.228 -1.634 -1.179) 2.028 33.113 ( 0.228 1.634 -1.179) 2.028 33.240 ( -6.395 -0.220 3.113) 7.116 33.240 ( -6.395 0.220 3.113) 7.116 34.024 ( 2.127 -1.559 2.219) 3.447 34.024 ( 2.127 1.559 2.219) 3.447 34.653 ( 0.899 -0.772 -4.245) 4.407 34.653 ( 0.899 0.772 -4.245) 4.407 34.977 ( -1.838 -5.048 3.649) 6.495 34.977 ( -1.838 5.048 3.649) 6.495 35.152 ( 1.555 -2.227 -0.625) 2.788 35.152 ( 1.555 2.227 -0.625) 2.788 35.333 ( 0.960 -1.113 -3.533) 3.827 35.333 ( 0.960 1.113 -3.533) 3.827 35.428 ( 0.253 -0.966 -2.494) 2.687 35.428 ( 0.253 0.966 -2.494) 2.687 36.883 ( -4.772 -0.170 -0.904) 4.860 36.883 ( -4.772 0.170 -0.904) 4.860 37.139 ( -3.249 -4.158 -4.550) 6.968 37.139 ( -3.249 4.158 -4.550) 6.968 ======================= Grid point 73 (39/69) ======================= q-point: (-0.44 -0.50 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 68 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.580 ( -7.188 -5.454 -1.653) 9.173 1.580 ( -7.188 5.454 -1.653) 9.173 1.818 ( 2.229 -4.083 -0.891) 4.737 1.818 ( 2.229 4.083 -0.891) 4.737 1.894 ( 3.841 -3.329 2.389) 5.616 1.894 ( 3.841 3.329 2.389) 5.616 2.031 ( 0.034 -5.279 -1.628) 5.525 2.031 ( 0.034 5.279 -1.628) 5.525 2.149 ( -5.385 -6.136 -2.742) 8.612 2.149 ( -5.385 6.136 -2.742) 8.612 2.371 ( -4.326 -5.449 -6.505) 9.525 2.371 ( -4.326 5.449 -6.505) 9.525 2.522 ( -6.835 -2.489 -2.728) 7.769 2.522 ( -6.835 2.489 -2.728) 7.769 2.695 ( 2.364 -1.238 -4.321) 5.078 2.695 ( 2.364 1.238 -4.321) 5.078 2.777 ( 0.168 -2.511 2.747) 3.725 2.777 ( 0.168 2.511 2.747) 3.725 2.881 ( 0.541 -1.276 3.344) 3.620 2.881 ( 0.541 1.276 3.344) 3.620 3.019 ( 0.916 -4.611 1.488) 4.932 3.019 ( 0.917 4.611 1.488) 4.932 3.170 ( -1.321 -4.758 -0.145) 4.940 3.170 ( -1.321 4.758 -0.145) 4.940 3.324 ( 1.442 -2.663 -0.685) 3.105 3.324 ( 1.442 2.663 -0.685) 3.105 3.443 ( -2.722 -2.092 4.457) 5.626 3.443 ( -2.722 2.092 4.457) 5.626 3.536 ( -0.312 -3.964 0.160) 3.980 3.536 ( -0.312 3.964 0.160) 3.980 3.727 ( 1.677 -4.412 -0.420) 4.739 3.727 ( 1.677 4.412 -0.420) 4.739 3.829 ( -2.789 -7.293 -2.075) 8.079 3.829 ( -2.789 7.293 -2.075) 8.079 4.080 ( 3.032 -3.095 0.274) 4.341 4.080 ( 3.032 3.095 0.274) 4.341 4.184 ( -5.814 -3.242 -1.220) 6.768 4.184 ( -5.814 3.242 -1.220) 6.768 4.254 ( 1.269 -6.349 -0.324) 6.483 4.254 ( 1.269 6.349 -0.324) 6.483 4.379 ( -0.936 -1.298 4.134) 4.433 4.379 ( -0.936 1.298 4.134) 4.433 4.398 ( -2.842 -6.070 -2.584) 7.184 4.398 ( -2.842 6.070 -2.584) 7.184 4.489 ( 2.436 -1.923 -3.535) 4.704 4.489 ( 2.436 1.923 -3.535) 4.704 4.711 ( 0.919 -3.651 2.122) 4.322 4.711 ( 0.919 3.651 2.122) 4.322 4.920 ( -0.769 -6.068 1.123) 6.219 4.920 ( -0.769 6.068 1.123) 6.219 4.967 ( -0.782 -4.932 2.147) 5.435 4.967 ( -0.782 4.932 2.147) 5.435 5.262 ( 3.121 -4.849 3.279) 6.634 5.262 ( 3.121 4.849 3.279) 6.634 5.278 ( -0.159 -2.914 -1.038) 3.097 5.278 ( -0.159 2.914 -1.038) 3.097 5.435 ( 0.664 -6.759 4.149) 7.958 5.435 ( 0.664 6.759 4.149) 7.958 5.523 ( 1.836 -4.732 4.532) 6.805 5.523 ( 1.836 4.732 4.532) 6.805 5.989 ( -1.423 -4.621 -2.228) 5.324 5.989 ( -1.423 4.621 -2.228) 5.324 6.018 ( -2.001 -2.130 -2.891) 4.111 6.018 ( -2.001 2.130 -2.891) 4.111 6.141 ( -1.578 -2.640 -1.312) 3.343 6.141 ( -1.578 2.640 -1.312) 3.343 6.318 ( 0.985 -0.682 -2.579) 2.844 6.318 ( 0.985 0.682 -2.579) 2.844 6.492 ( -0.976 -2.521 2.051) 3.393 6.492 ( -0.976 2.521 2.051) 3.393 6.597 ( 2.164 -0.458 1.034) 2.441 6.597 ( 2.164 0.458 1.034) 2.441 6.927 ( -7.063 -2.356 0.901) 7.500 6.927 ( -7.063 2.356 0.901) 7.500 7.046 ( -3.465 -2.707 -0.041) 4.398 7.046 ( -3.465 2.707 -0.041) 4.398 7.467 ( 11.520 -4.550 1.504) 12.477 7.467 ( 11.520 4.550 1.504) 12.477 7.685 ( 7.461 -5.598 -1.036) 9.385 7.685 ( 7.461 5.598 -1.036) 9.385 8.790 ( -0.026 -0.296 -1.031) 1.072 8.790 ( -0.026 0.296 -1.031) 1.072 8.897 ( 0.527 -3.989 0.747) 4.092 8.897 ( 0.527 3.989 0.747) 4.092 9.122 ( -0.159 -0.273 0.890) 0.945 9.122 ( -0.159 0.273 0.890) 0.945 9.178 ( 0.258 -2.450 0.036) 2.464 9.178 ( 0.258 2.450 0.036) 2.464 9.363 ( -6.196 -3.637 2.406) 7.576 9.363 ( -6.196 3.637 2.406) 7.576 9.565 ( -0.987 -0.375 -0.324) 1.104 9.565 ( -0.987 0.375 -0.324) 1.104 9.599 ( 3.992 -1.030 -0.615) 4.169 9.599 ( 3.992 1.030 -0.615) 4.169 9.714 ( 4.073 -3.246 -2.583) 5.814 9.714 ( 4.073 3.246 -2.583) 5.814 9.892 ( 2.098 -2.099 -2.311) 3.761 9.892 ( 2.098 2.099 -2.311) 3.761 10.055 ( 1.035 -2.213 -0.049) 2.443 10.055 ( 1.035 2.213 -0.049) 2.443 10.529 ( 0.620 -4.591 1.295) 4.810 10.529 ( 0.620 4.591 1.295) 4.810 10.582 ( 1.712 -3.628 -0.233) 4.018 10.582 ( 1.712 3.628 -0.233) 4.018 11.533 ( -1.656 -1.032 0.478) 2.009 11.533 ( -1.656 1.032 0.478) 2.009 11.568 ( -2.150 -0.723 0.338) 2.294 11.568 ( -2.150 0.723 0.338) 2.294 11.760 ( 1.119 -0.294 0.300) 1.195 11.760 ( 1.119 0.294 0.300) 1.195 11.872 ( 1.125 -1.617 -2.789) 3.415 11.872 ( 1.125 1.617 -2.789) 3.415 11.990 ( -1.293 -2.802 0.841) 3.198 11.990 ( -1.293 2.802 0.841) 3.198 12.166 ( -0.231 -1.093 -0.113) 1.123 12.166 ( -0.231 1.093 -0.113) 1.123 12.679 ( -0.632 -1.543 -0.910) 1.900 12.679 ( -0.632 1.543 -0.910) 1.900 12.756 ( 0.443 -0.722 0.467) 0.967 12.756 ( 0.443 0.722 0.467) 0.967 13.439 ( -2.329 -3.213 0.166) 3.971 13.439 ( -2.329 3.213 0.166) 3.971 13.456 ( -1.278 -3.752 -0.255) 3.972 13.456 ( -1.278 3.752 -0.255) 3.972 14.050 ( -4.324 -2.646 0.067) 5.070 14.050 ( -4.324 2.646 0.067) 5.070 14.082 ( -4.305 -2.000 -0.243) 4.753 14.082 ( -4.305 2.000 -0.243) 4.753 14.275 ( 4.880 -4.923 -0.193) 6.935 14.275 ( 4.880 4.923 -0.193) 6.935 14.384 ( 5.405 -2.657 -0.815) 6.077 14.384 ( 5.405 2.657 -0.815) 6.077 14.955 ( -0.084 -2.433 0.277) 2.450 14.955 ( -0.084 2.433 0.277) 2.450 15.032 ( 2.232 -3.257 -0.419) 3.970 15.032 ( 2.232 3.257 -0.419) 3.970 15.347 ( -3.061 -1.212 -0.252) 3.302 15.347 ( -3.061 1.212 -0.252) 3.302 15.426 ( -2.227 -2.016 -0.438) 3.036 15.426 ( -2.227 2.016 -0.438) 3.036 15.815 ( -0.870 -1.887 0.054) 2.079 15.815 ( -0.870 1.887 0.054) 2.079 15.862 ( -3.286 -0.576 0.845) 3.441 15.862 ( -3.286 0.576 0.845) 3.441 16.282 ( 0.457 -0.992 1.505) 1.859 16.282 ( 0.457 0.992 1.505) 1.859 16.379 ( 1.145 -2.027 -0.291) 2.346 16.379 ( 1.145 2.027 -0.291) 2.346 17.096 ( -1.485 -0.105 -0.955) 1.768 17.096 ( -1.485 0.105 -0.955) 1.768 17.174 ( 0.715 -1.421 0.298) 1.618 17.174 ( 0.715 1.421 0.298) 1.618 19.786 ( -5.346 -1.021 -0.667) 5.484 19.786 ( -5.346 1.021 -0.667) 5.484 19.944 ( -1.164 -0.031 0.650) 1.333 19.944 ( -1.164 0.031 0.650) 1.333 20.074 ( 1.773 -2.526 2.723) 4.116 20.074 ( 1.773 2.526 2.723) 4.116 20.447 ( 4.792 -1.681 0.609) 5.115 20.447 ( 4.792 1.681 0.609) 5.115 22.104 ( -6.513 -4.081 0.451) 7.699 22.104 ( -6.513 4.081 0.451) 7.699 22.145 ( -6.742 -4.138 -0.450) 7.923 22.145 ( -6.742 4.138 -0.450) 7.923 22.521 ( 7.988 -1.443 -0.797) 8.156 22.521 ( 7.988 1.443 -0.797) 8.156 22.636 ( 4.048 -1.638 0.361) 4.381 22.636 ( 4.048 1.638 0.361) 4.381 27.437 ( -14.358 -4.707 -0.371) 15.114 27.437 ( -14.358 4.707 -0.371) 15.114 27.529 ( -6.039 -5.504 1.684) 8.343 27.529 ( -6.039 5.504 1.684) 8.343 28.258 ( 11.007 -6.214 1.397) 12.717 28.258 ( 11.007 6.214 1.397) 12.717 28.403 ( 11.051 -6.849 0.424) 13.008 28.403 ( 11.051 6.849 0.424) 13.008 30.366 ( -2.955 -0.937 -0.516) 3.142 30.366 ( -2.955 0.937 -0.516) 3.142 30.431 ( -2.229 -1.881 -0.740) 3.009 30.431 ( -2.229 1.881 -0.740) 3.009 30.767 ( -7.774 -1.886 1.743) 8.188 30.767 ( -7.774 1.886 1.743) 8.188 30.880 ( -1.198 -2.507 1.193) 3.024 30.880 ( -1.198 2.507 1.193) 3.024 31.007 ( 7.044 -2.399 1.630) 7.618 31.007 ( 7.044 2.399 1.630) 7.618 31.253 ( 4.731 -7.812 6.028) 10.943 31.253 ( 4.731 7.812 6.028) 10.943 31.974 ( -2.116 -1.928 2.280) 3.660 31.974 ( -2.116 1.928 2.280) 3.660 32.209 ( 0.775 -3.964 9.662) 10.473 32.209 ( 0.775 3.964 9.662) 10.473 32.646 ( -4.955 -1.607 -3.303) 6.168 32.646 ( -4.955 1.607 -3.303) 6.168 32.940 ( -5.222 -1.372 -4.139) 6.803 32.940 ( -5.222 1.372 -4.139) 6.803 33.117 ( -1.013 -1.069 0.606) 1.593 33.117 ( -1.013 1.069 0.606) 1.593 33.261 ( 6.268 -1.145 2.877) 6.991 33.261 ( 6.268 1.145 2.877) 6.991 34.149 ( 5.418 -1.674 6.931) 8.955 34.149 ( 5.418 1.674 6.931) 8.955 34.594 ( -0.305 -0.428 -6.900) 6.920 34.594 ( -0.305 0.428 -6.900) 6.920 34.987 ( -1.820 -4.223 3.342) 5.685 34.987 ( -1.820 4.223 3.342) 5.685 35.168 ( 0.459 -2.880 0.460) 2.953 35.168 ( 0.459 2.880 0.460) 2.953 35.295 ( 0.298 -0.956 -4.766) 4.871 35.295 ( 0.298 0.956 -4.766) 4.871 35.394 ( 0.551 -0.873 -4.359) 4.480 35.394 ( 0.551 0.873 -4.359) 4.480 36.724 ( -13.076 -7.376 -4.915) 15.797 36.724 ( -13.076 7.376 -4.915) 15.797 37.180 ( 14.552 -9.664 -3.089) 17.740 37.180 ( 14.552 9.664 -3.089) 17.740 ======================= Grid point 75 (40/69) ======================= q-point: (-0.33 -0.50 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 68 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.359 ( -15.495 -9.723 -2.007) 18.402 1.359 ( -15.495 9.723 -2.007) 18.402 1.745 ( -10.932 -6.117 -5.394) 13.639 1.745 ( -10.932 6.117 -5.394) 13.639 1.841 ( -6.391 -0.512 -7.104) 9.569 1.841 ( -6.391 0.512 -7.104) 9.569 1.972 ( -0.761 -2.708 -1.826) 3.354 1.972 ( -0.761 2.708 -1.826) 3.354 2.149 ( -5.717 -5.320 4.257) 8.894 2.149 ( -5.717 5.320 4.257) 8.894 2.300 ( 2.668 -8.313 4.423) 9.787 2.300 ( 2.668 8.313 4.423) 9.787 2.480 ( 1.126 -2.736 0.576) 3.015 2.480 ( 1.126 2.736 0.576) 3.015 2.624 ( 0.424 -3.308 -3.617) 4.919 2.624 ( 0.424 3.308 -3.617) 4.919 2.805 ( -0.057 -3.247 -1.137) 3.441 2.805 ( -0.057 3.247 -1.137) 3.441 2.899 ( -4.567 -1.673 2.259) 5.362 2.899 ( -4.567 1.673 2.259) 5.362 3.014 ( -3.040 -2.064 -1.514) 3.974 3.014 ( -3.040 2.064 -1.514) 3.974 3.098 ( -1.835 -0.946 -0.302) 2.087 3.098 ( -1.835 0.946 -0.302) 2.087 3.317 ( -1.375 -2.592 -1.511) 3.300 3.317 ( -1.375 2.592 -1.511) 3.300 3.412 ( -5.398 -0.810 0.544) 5.486 3.412 ( -5.398 0.810 0.544) 5.486 3.511 ( -4.916 -3.087 0.537) 5.830 3.511 ( -4.916 3.087 0.537) 5.830 3.696 ( -4.917 -4.866 -2.655) 7.410 3.696 ( -4.917 4.866 -2.655) 7.410 3.750 ( -4.177 -5.965 -0.846) 7.331 3.750 ( -4.177 5.965 -0.846) 7.331 4.027 ( -4.584 -1.635 -2.869) 5.650 4.027 ( -4.584 1.635 -2.869) 5.650 4.174 ( 0.818 -0.895 -0.729) 1.415 4.174 ( 0.818 0.895 -0.729) 1.415 4.249 ( -6.268 -2.477 1.256) 6.855 4.249 ( -6.268 2.477 1.256) 6.855 4.288 ( 0.721 -2.687 -0.562) 2.838 4.288 ( 0.721 2.687 -0.562) 2.838 4.454 ( 6.023 -3.531 0.351) 6.990 4.454 ( 6.023 3.531 0.351) 6.990 4.521 ( 2.675 -7.073 0.842) 7.609 4.521 ( 2.675 7.073 0.842) 7.609 4.781 ( 4.640 -2.523 2.162) 5.707 4.781 ( 4.640 2.523 2.162) 5.707 4.915 ( -0.758 -4.891 3.233) 5.911 4.915 ( -0.758 4.891 3.233) 5.911 5.052 ( 6.009 -5.872 1.070) 8.470 5.052 ( 6.009 5.872 1.070) 8.470 5.230 ( -2.596 -0.385 -0.540) 2.679 5.230 ( -2.596 0.385 -0.540) 2.679 5.373 ( 3.012 -5.709 3.384) 7.289 5.373 ( 3.012 5.709 3.384) 7.289 5.458 ( -1.838 -4.923 2.214) 5.702 5.458 ( -1.838 4.923 2.214) 5.702 5.593 ( 2.336 -4.308 1.042) 5.011 5.593 ( 2.336 4.308 1.042) 5.011 5.915 ( -2.856 -1.517 -3.126) 4.498 5.915 ( -2.856 1.517 -3.126) 4.498 5.973 ( -3.540 -1.998 1.155) 4.226 5.973 ( -3.540 1.998 1.155) 4.226 6.095 ( -0.613 -1.402 -1.824) 2.381 6.095 ( -0.613 1.402 -1.824) 2.381 6.308 ( 0.767 -2.424 -0.668) 2.629 6.308 ( 0.767 2.424 -0.668) 2.629 6.482 ( -3.184 -6.257 1.847) 7.259 6.482 ( -3.184 6.257 1.847) 7.259 6.637 ( 2.194 -2.215 -0.932) 3.254 6.637 ( 2.194 2.215 -0.932) 3.254 6.836 ( -6.350 -0.957 2.025) 6.734 6.836 ( -6.350 0.957 2.025) 6.734 6.989 ( -1.481 -4.456 -1.074) 4.817 6.989 ( -1.481 4.456 -1.074) 4.817 7.719 ( 18.300 -2.183 0.020) 18.430 7.719 ( 18.300 2.183 0.020) 18.430 7.870 ( 15.920 -3.061 0.045) 16.211 7.870 ( 15.920 3.061 0.045) 16.211 8.780 ( 0.099 -1.563 -0.920) 1.816 8.780 ( 0.099 1.563 -0.920) 1.816 8.910 ( -0.006 -4.326 0.577) 4.365 8.910 ( -0.006 4.326 0.577) 4.365 9.105 ( -2.914 -0.593 0.721) 3.060 9.105 ( -2.914 0.593 0.721) 3.060 9.170 ( -1.411 -3.006 -0.280) 3.333 9.170 ( -1.411 3.006 -0.280) 3.333 9.304 ( -4.720 -3.464 2.213) 6.259 9.304 ( -4.720 3.464 2.213) 6.259 9.519 ( -2.900 -1.623 -0.530) 3.366 9.519 ( -2.900 1.623 -0.530) 3.366 9.707 ( 4.773 -1.631 1.086) 5.160 9.707 ( 4.773 1.631 1.086) 5.160 9.777 ( 8.768 -1.795 -3.147) 9.487 9.777 ( 8.768 1.795 -3.147) 9.487 9.885 ( 4.849 -4.105 -2.196) 6.722 9.885 ( 4.849 4.105 -2.196) 6.722 10.139 ( 6.514 -2.256 1.514) 7.058 10.139 ( 6.514 2.256 1.514) 7.058 10.573 ( 3.238 -4.457 1.085) 5.615 10.573 ( 3.238 4.457 1.085) 5.615 10.620 ( 3.871 -3.857 -0.465) 5.484 10.620 ( 3.871 3.857 -0.465) 5.484 11.476 ( -6.529 -0.891 0.238) 6.593 11.476 ( -6.529 0.891 0.238) 6.593 11.507 ( -5.468 -1.547 -0.025) 5.682 11.507 ( -5.468 1.547 -0.025) 5.682 11.789 ( 1.999 -1.054 0.223) 2.271 11.789 ( 1.999 1.054 0.223) 2.271 11.880 ( 3.189 -1.811 -1.786) 4.079 11.880 ( 3.189 1.811 -1.786) 4.079 11.976 ( -1.770 -2.550 1.056) 3.279 11.976 ( -1.770 2.550 1.056) 3.279 12.164 ( 0.744 -2.329 -0.181) 2.452 12.164 ( 0.744 2.329 -0.181) 2.452 12.658 ( -1.270 -3.534 -0.126) 3.757 12.658 ( -1.270 3.534 -0.126) 3.757 12.758 ( -0.716 -2.936 -0.097) 3.024 12.758 ( -0.716 2.936 -0.097) 3.024 13.377 ( -5.158 -2.495 -0.057) 5.730 13.377 ( -5.158 2.495 -0.057) 5.730 13.415 ( -4.603 -2.594 0.242) 5.289 13.415 ( -4.603 2.594 0.242) 5.289 13.978 ( -3.954 -3.374 0.076) 5.198 13.978 ( -3.954 3.374 0.076) 5.198 14.014 ( -1.886 -3.433 -0.440) 3.941 14.014 ( -1.886 3.433 -0.440) 3.941 14.357 ( 4.032 -7.009 -0.085) 8.087 14.357 ( 4.032 7.009 -0.085) 8.087 14.470 ( 5.710 -3.241 -1.030) 6.646 14.470 ( 5.710 3.241 -1.030) 6.646 14.956 ( -1.633 -6.368 0.643) 6.606 14.956 ( -1.633 6.368 0.643) 6.606 15.086 ( 4.218 -6.371 -0.268) 7.645 15.086 ( 4.218 6.371 -0.268) 7.645 15.261 ( -5.082 -1.893 -0.821) 5.485 15.261 ( -5.082 1.893 -0.821) 5.485 15.369 ( -4.684 -2.016 0.273) 5.107 15.369 ( -4.684 2.016 0.273) 5.107 15.725 ( -8.273 -1.921 -1.686) 8.659 15.725 ( -8.273 1.921 -1.686) 8.659 15.848 ( -1.365 -3.937 2.927) 5.092 15.848 ( -1.365 3.937 2.927) 5.092 16.301 ( 0.806 -1.191 -0.382) 1.488 16.301 ( 0.806 1.191 -0.382) 1.488 16.412 ( 1.356 -1.060 1.829) 2.511 16.412 ( 1.356 1.060 1.829) 2.511 17.066 ( -1.214 -0.421 -0.328) 1.326 17.066 ( -1.214 0.421 -0.328) 1.326 17.173 ( -0.849 -1.469 -0.272) 1.718 17.173 ( -0.849 1.469 -0.272) 1.718 19.671 ( -6.567 -2.658 -0.840) 7.134 19.671 ( -6.567 2.658 -0.840) 7.134 19.887 ( -7.584 -1.344 2.743) 8.176 19.887 ( -7.584 1.344 2.743) 8.176 20.199 ( 9.129 -2.769 1.564) 9.667 20.199 ( 9.129 2.769 1.564) 9.667 20.543 ( 6.688 -0.547 -0.377) 6.721 20.543 ( 6.688 0.547 -0.377) 6.721 21.947 ( -11.835 -2.659 -1.455) 12.217 21.947 ( -11.835 2.659 -1.455) 12.217 22.003 ( -10.490 -1.425 1.191) 10.653 22.003 ( -10.490 1.425 1.191) 10.653 22.669 ( 10.789 -1.751 -0.948) 10.971 22.669 ( 10.789 1.751 -0.948) 10.971 22.747 ( 8.653 -2.257 0.678) 8.968 22.747 ( 8.653 2.257 0.678) 8.968 27.132 ( -20.190 -3.916 -0.817) 20.583 27.132 ( -20.190 3.916 -0.817) 20.583 27.388 ( -16.097 -12.318 2.956) 20.484 27.388 ( -16.097 12.318 2.956) 20.484 28.526 ( 19.978 -6.418 1.054) 21.010 28.526 ( 19.978 6.418 1.054) 21.010 28.663 ( 20.801 -5.693 -0.660) 21.576 28.663 ( 20.801 5.693 -0.660) 21.576 30.292 ( -5.777 -2.042 -0.244) 6.132 30.292 ( -5.777 2.042 -0.244) 6.132 30.367 ( -5.105 -2.883 -0.043) 5.863 30.367 ( -5.105 2.883 -0.043) 5.863 30.605 ( -13.215 -2.386 1.175) 13.480 30.605 ( -13.215 2.386 1.175) 13.480 30.897 ( -0.790 -3.173 1.751) 3.709 30.897 ( -0.790 3.173 1.751) 3.709 31.125 ( 8.399 -2.933 -0.775) 8.930 31.125 ( 8.399 2.933 -0.775) 8.930 31.442 ( 10.508 -7.717 4.326) 13.736 31.442 ( 10.508 7.717 4.326) 13.736 31.950 ( -4.062 -5.898 2.032) 7.444 31.950 ( -4.062 5.898 2.032) 7.444 32.354 ( 0.851 -9.234 12.242) 15.357 32.354 ( 0.851 9.234 12.242) 15.357 32.527 ( -5.384 -0.760 -1.494) 5.639 32.527 ( -5.384 0.760 -1.494) 5.639 32.798 ( -7.335 -3.960 0.294) 8.341 32.798 ( -7.335 3.960 0.294) 8.341 33.126 ( 2.167 -4.418 0.594) 4.956 33.126 ( 2.167 4.418 0.594) 4.956 33.423 ( 9.071 -1.998 3.115) 9.797 33.423 ( 9.071 1.998 3.115) 9.797 34.291 ( 2.922 -1.458 5.133) 6.083 34.291 ( 2.922 1.458 5.133) 6.083 34.499 ( 0.385 -1.662 -9.882) 10.029 34.499 ( 0.385 1.662 -9.882) 10.029 35.000 ( -1.530 -2.978 3.777) 5.047 35.000 ( -1.530 2.978 3.777) 5.047 35.173 ( -0.875 -3.063 0.582) 3.238 35.173 ( -0.875 3.063 0.582) 3.238 35.244 ( 0.077 -0.346 -4.631) 4.644 35.244 ( 0.077 0.346 -4.631) 4.644 35.350 ( 0.699 -1.637 -5.407) 5.692 35.350 ( 0.699 1.637 -5.407) 5.692 36.401 ( -17.755 -10.508 -8.720) 22.398 36.401 ( -17.755 10.508 -8.720) 22.398 37.451 ( 20.547 -10.232 0.107) 22.954 37.451 ( 20.547 10.232 0.107) 22.954 ======================= Grid point 77 (41/69) ======================= q-point: (-0.22 -0.50 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 68 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.091 ( -16.767 -11.299 -0.176) 20.220 1.091 ( -16.767 11.299 -0.176) 20.220 1.421 ( -17.435 -11.018 -2.501) 20.776 1.421 ( -17.435 11.018 -2.501) 20.776 1.737 ( -5.310 -3.922 1.040) 6.683 1.737 ( -5.310 3.922 1.040) 6.683 1.933 ( -1.301 -4.322 -1.991) 4.933 1.933 ( -1.301 4.322 -1.991) 4.933 2.135 ( -3.094 -16.902 3.454) 17.526 2.135 ( -3.094 16.902 3.454) 17.526 2.301 ( -0.322 -3.194 -3.308) 4.609 2.301 ( -0.322 3.194 -3.308) 4.609 2.456 ( -2.402 -3.754 -0.862) 4.539 2.456 ( -2.402 3.754 -0.862) 4.539 2.700 ( -6.263 -1.781 -3.368) 7.331 2.700 ( -6.263 1.781 -3.368) 7.331 2.756 ( 0.453 -6.994 -1.537) 7.176 2.756 ( 0.453 6.994 -1.537) 7.176 2.826 ( 2.851 -2.501 4.554) 5.927 2.826 ( 2.851 2.501 4.554) 5.927 2.978 ( -0.753 -1.190 -0.007) 1.408 2.978 ( -0.753 1.190 -0.007) 1.408 3.100 ( -0.431 -2.258 3.117) 3.873 3.100 ( -0.431 2.258 3.117) 3.873 3.220 ( -8.742 -4.534 -4.714) 10.918 3.220 ( -8.742 4.534 -4.714) 10.918 3.306 ( -5.480 -1.931 1.753) 6.069 3.306 ( -5.480 1.931 1.753) 6.069 3.441 ( -3.886 -3.922 -0.782) 5.577 3.441 ( -3.886 3.922 -0.782) 5.577 3.583 ( -5.453 -5.942 -4.066) 9.032 3.583 ( -5.453 5.942 -4.066) 9.032 3.664 ( -4.631 -5.060 2.796) 7.408 3.664 ( -4.631 5.060 2.796) 7.408 3.934 ( -3.219 -1.250 -4.942) 6.029 3.934 ( -3.219 1.250 -4.942) 6.029 4.126 ( -5.722 -5.067 3.995) 8.624 4.126 ( -5.722 5.067 3.995) 8.624 4.189 ( 0.207 -8.366 -3.565) 9.096 4.189 ( 0.207 8.366 -3.565) 9.096 4.294 ( -0.627 -2.478 -1.190) 2.820 4.294 ( -0.627 2.478 -1.190) 2.820 4.547 ( 0.042 -7.511 2.551) 7.933 4.547 ( 0.042 7.511 2.551) 7.933 4.607 ( 7.024 -3.612 2.790) 8.376 4.607 ( 7.024 3.612 2.790) 8.376 4.872 ( 3.367 -2.046 0.712) 4.004 4.872 ( 3.367 2.046 0.712) 4.004 4.962 ( 1.600 -1.458 2.321) 3.174 4.962 ( 1.600 1.458 2.321) 3.174 5.124 ( 3.584 -3.478 -2.571) 5.617 5.124 ( 3.584 3.478 -2.571) 5.617 5.198 ( 0.121 -1.331 0.604) 1.466 5.198 ( 0.121 1.331 0.604) 1.466 5.358 ( -4.494 -1.812 -1.328) 5.024 5.358 ( -4.494 1.812 -1.328) 5.024 5.501 ( 3.300 -0.900 0.470) 3.453 5.501 ( 3.300 0.900 0.470) 3.453 5.618 ( 2.874 -0.732 -1.799) 3.469 5.618 ( 2.874 0.732 -1.799) 3.469 5.869 ( -0.955 -2.269 0.587) 2.531 5.869 ( -0.955 2.269 0.587) 2.531 5.916 ( -4.646 -1.066 0.983) 4.867 5.916 ( -4.646 1.066 0.983) 4.867 6.100 ( 1.877 -0.512 -0.222) 1.958 6.100 ( 1.877 0.512 -0.222) 1.958 6.337 ( 1.043 -4.420 2.259) 5.072 6.337 ( 1.043 4.420 2.259) 5.072 6.435 ( -5.236 -7.253 2.092) 9.187 6.435 ( -5.236 7.253 2.092) 9.187 6.654 ( 1.193 -4.092 -0.920) 4.361 6.654 ( 1.193 4.092 -0.920) 4.361 6.762 ( -3.139 -1.880 -0.662) 3.718 6.762 ( -3.139 1.880 -0.662) 3.718 6.988 ( 2.071 -4.055 -1.264) 4.725 6.988 ( 2.071 4.055 -1.264) 4.725 8.011 ( 19.214 -0.700 -0.160) 19.228 8.011 ( 19.214 0.700 -0.160) 19.228 8.138 ( 17.880 -2.976 0.063) 18.126 8.138 ( 17.880 2.976 0.063) 18.126 8.769 ( -0.438 -3.098 -0.976) 3.278 8.769 ( -0.438 3.098 -0.976) 3.278 8.904 ( -1.418 -3.895 0.059) 4.145 8.904 ( -1.418 3.895 0.059) 4.145 9.048 ( -5.536 -1.172 0.531) 5.684 9.048 ( -5.536 1.172 0.531) 5.684 9.139 ( -0.729 -4.118 -1.340) 4.392 9.139 ( -0.729 4.118 -1.340) 4.392 9.266 ( -4.172 -3.033 3.139) 6.038 9.266 ( -4.172 3.033 3.139) 6.038 9.456 ( -4.765 -0.730 -0.020) 4.820 9.456 ( -4.765 0.730 -0.020) 4.820 9.716 ( 0.370 -2.763 -1.725) 3.278 9.716 ( 0.370 2.763 -1.725) 3.278 9.943 ( 12.278 -1.318 -0.079) 12.349 9.943 ( 12.278 1.318 -0.079) 12.349 10.021 ( 11.233 -2.716 0.902) 11.592 10.021 ( 11.233 2.716 0.902) 11.592 10.248 ( 6.031 -1.866 0.356) 6.323 10.248 ( 6.031 1.866 0.356) 6.323 10.637 ( 4.395 -2.558 -0.573) 5.117 10.637 ( 4.395 2.558 -0.573) 5.117 10.706 ( 6.914 -3.657 0.871) 7.870 10.706 ( 6.914 3.657 0.871) 7.870 11.349 ( -8.921 -1.277 -0.462) 9.024 11.349 ( -8.921 1.277 -0.462) 9.024 11.407 ( -7.846 -2.118 0.648) 8.152 11.407 ( -7.846 2.118 0.648) 8.152 11.815 ( 1.171 -1.455 -0.323) 1.895 11.815 ( 1.171 1.455 -0.323) 1.895 11.913 ( 1.925 -1.755 -0.385) 2.633 11.913 ( 1.925 1.755 -0.385) 2.633 11.970 ( -0.070 -2.534 1.353) 2.874 11.970 ( -0.070 2.534 1.353) 2.874 12.191 ( 3.426 -3.842 -0.896) 5.225 12.191 ( 3.426 3.842 -0.896) 5.225 12.638 ( -1.964 -5.080 0.892) 5.519 12.638 ( -1.964 5.080 0.892) 5.519 12.729 ( -2.286 -4.533 -0.696) 5.124 12.729 ( -2.286 4.533 -0.696) 5.124 13.283 ( -6.796 -2.967 -0.165) 7.417 13.283 ( -6.796 2.967 -0.165) 7.417 13.322 ( -7.382 -2.287 0.306) 7.734 13.322 ( -7.382 2.287 0.306) 7.734 13.961 ( 2.090 -2.078 0.278) 2.960 13.961 ( 2.090 2.078 0.278) 2.960 14.036 ( 5.273 -4.360 -0.556) 6.865 14.036 ( 5.273 4.360 -0.556) 6.865 14.369 ( -2.521 -7.892 0.502) 8.300 14.369 ( -2.521 7.892 0.502) 8.300 14.521 ( 1.822 -1.430 -0.866) 2.473 14.521 ( 1.822 1.430 -0.866) 2.473 14.878 ( -9.069 -7.520 0.406) 11.789 14.878 ( -9.069 7.520 0.406) 11.789 15.063 ( -8.088 -1.556 -0.275) 8.241 15.063 ( -8.088 1.556 -0.275) 8.241 15.233 ( -1.615 -4.251 0.394) 4.564 15.233 ( -1.615 4.251 0.394) 4.564 15.355 ( 6.570 -3.639 -0.816) 7.555 15.355 ( 6.570 3.639 -0.816) 7.555 15.583 ( -5.451 -1.172 -1.719) 5.834 15.583 ( -5.451 1.172 -1.719) 5.834 15.867 ( 0.275 -2.474 1.467) 2.889 15.867 ( 0.275 2.474 1.467) 2.889 16.287 ( -1.626 -0.342 -1.001) 1.939 16.287 ( -1.626 0.342 -1.001) 1.939 16.439 ( -2.057 -5.108 2.622) 6.099 16.439 ( -2.057 5.108 2.622) 6.099 17.054 ( -0.329 -0.761 0.090) 0.834 17.054 ( -0.329 0.761 0.090) 0.834 17.146 ( -1.743 -1.415 -0.691) 2.349 17.146 ( -1.743 1.415 -0.691) 2.349 19.583 ( -3.469 -3.713 -1.045) 5.188 19.583 ( -3.469 3.713 -1.045) 5.188 19.793 ( -7.586 -2.479 1.814) 8.184 19.793 ( -7.586 2.479 1.814) 8.184 20.352 ( 7.850 -1.734 1.622) 8.201 20.352 ( 7.850 1.734 1.622) 8.201 20.632 ( 5.783 -0.444 -1.210) 5.925 20.632 ( 5.783 0.444 -1.210) 5.925 21.748 ( -10.684 -2.352 -1.691) 11.070 21.748 ( -10.684 2.352 -1.691) 11.070 21.863 ( -9.464 -0.459 1.518) 9.596 21.863 ( -9.464 0.459 1.518) 9.596 22.808 ( 8.929 -1.017 -2.093) 9.227 22.808 ( 8.929 1.017 -2.093) 9.227 22.906 ( 9.810 -1.006 2.265) 10.118 22.906 ( 9.810 1.006 2.265) 10.118 26.842 ( -16.193 -1.966 -0.030) 16.312 26.842 ( -16.193 1.966 -0.030) 16.312 27.112 ( -21.614 -13.295 0.416) 25.379 27.112 ( -21.614 13.295 0.416) 25.379 28.854 ( 20.829 -6.006 0.726) 21.690 28.854 ( 20.829 6.006 0.726) 21.690 28.992 ( 21.690 -5.510 -0.809) 22.393 28.992 ( 21.690 5.510 -0.809) 22.393 30.152 ( -13.751 -4.468 0.097) 14.459 30.152 ( -13.751 4.468 0.097) 14.459 30.300 ( -2.597 -1.853 0.424) 3.219 30.300 ( -2.597 1.853 0.424) 3.219 30.437 ( -9.088 -1.398 1.341) 9.292 30.437 ( -9.088 1.398 1.341) 9.292 30.877 ( -2.734 -8.069 -0.178) 8.521 30.877 ( -2.734 8.069 -0.178) 8.521 31.255 ( 8.849 -0.856 -0.597) 8.911 31.255 ( 8.849 0.856 -0.597) 8.911 31.629 ( 10.564 -4.090 -0.476) 11.338 31.629 ( 10.564 4.090 -0.476) 11.338 31.915 ( -1.240 -5.666 0.439) 5.817 31.915 ( -1.240 5.666 0.439) 5.817 32.335 ( -8.486 -2.510 -0.096) 8.851 32.335 ( -8.486 2.510 -0.096) 8.851 32.465 ( -10.112 -4.271 2.601) 11.280 32.465 ( -10.112 4.271 2.601) 11.280 32.873 ( 10.207 -8.700 5.786) 14.606 32.873 ( 10.207 8.700 5.786) 14.606 33.252 ( 13.396 -13.260 5.932) 19.761 33.252 ( 13.396 13.260 5.932) 19.761 33.586 ( 8.323 -2.299 1.053) 8.699 33.586 ( 8.323 2.299 1.053) 8.699 34.279 ( -1.127 -2.111 -15.083) 15.271 34.279 ( -1.127 2.111 -15.083) 15.271 34.425 ( 1.398 -0.254 -3.068) 3.381 34.425 ( 1.398 0.254 -3.068) 3.381 35.024 ( -0.156 -1.697 1.754) 2.445 35.024 ( -0.156 1.697 1.754) 2.445 35.139 ( -3.027 -1.658 -0.450) 3.480 35.139 ( -3.027 1.658 -0.450) 3.480 35.208 ( -0.389 -0.760 -1.282) 1.540 35.208 ( -0.389 0.760 -1.282) 1.540 35.308 ( -0.344 -1.995 -0.880) 2.207 35.308 ( -0.344 1.995 -0.880) 2.207 36.035 ( -23.034 -12.620 3.687) 26.522 36.035 ( -23.034 12.620 3.687) 26.522 37.763 ( 18.806 -10.468 -0.576) 21.531 37.763 ( 18.806 10.468 -0.576) 21.531 ======================= Grid point 79 (42/69) ======================= q-point: (-0.11 -0.50 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 68 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.949 ( -5.551 -10.509 12.323) 17.120 0.949 ( -5.551 10.509 12.323) 17.120 1.220 ( -11.430 -15.003 5.037) 19.522 1.220 ( -11.430 15.003 5.037) 19.522 1.694 ( -2.379 -7.114 0.913) 7.557 1.694 ( -2.379 7.114 0.913) 7.557 1.874 ( -3.633 -14.495 -1.118) 14.985 1.874 ( -3.633 14.495 -1.118) 14.985 2.115 ( -1.386 -15.251 0.050) 15.314 2.115 ( -1.386 15.251 0.050) 15.314 2.266 ( 1.091 -4.431 -4.944) 6.728 2.266 ( 1.091 4.431 -4.944) 6.728 2.415 ( -3.411 -0.610 1.170) 3.657 2.415 ( -3.411 0.610 1.170) 3.657 2.544 ( -8.416 -9.010 0.840) 12.358 2.544 ( -8.416 9.010 0.840) 12.358 2.684 ( 0.512 -0.583 -2.350) 2.475 2.684 ( 0.512 0.583 -2.350) 2.475 2.934 ( 0.907 -7.619 -1.271) 7.777 2.934 ( 0.907 7.619 -1.271) 7.777 2.999 ( -4.881 -0.487 1.417) 5.106 2.999 ( -4.881 0.487 1.417) 5.106 3.072 ( 1.005 -5.324 1.605) 5.651 3.072 ( 1.005 5.324 1.605) 5.651 3.166 ( 2.131 -2.308 2.519) 4.027 3.166 ( 2.131 2.308 2.519) 4.027 3.231 ( -3.348 -1.584 -2.197) 4.306 3.231 ( -3.348 1.584 -2.197) 4.306 3.389 ( -3.181 -1.031 1.748) 3.773 3.389 ( -3.181 1.031 1.748) 3.773 3.510 ( -0.697 -1.412 1.798) 2.390 3.510 ( -0.697 1.412 1.798) 2.390 3.660 ( -3.185 -4.904 5.506) 8.032 3.660 ( -3.185 4.904 5.506) 8.032 3.854 ( -0.533 -1.152 -0.930) 1.573 3.854 ( -0.533 1.152 -0.930) 1.573 4.057 ( -5.388 -7.356 0.297) 9.123 4.057 ( -5.388 7.356 0.297) 9.123 4.190 ( -0.670 -9.019 1.572) 9.180 4.190 ( -0.670 9.019 1.572) 9.180 4.309 ( 3.237 -1.510 3.284) 4.852 4.309 ( 3.237 1.510 3.284) 4.852 4.525 ( -4.971 -3.898 1.880) 6.591 4.525 ( -4.971 3.898 1.880) 6.591 4.704 ( 3.118 -3.781 -1.392) 5.095 4.704 ( 3.118 3.781 -1.392) 5.095 4.876 ( 1.137 -0.948 -4.477) 4.715 4.876 ( 1.137 0.948 -4.477) 4.715 4.987 ( -1.711 -4.025 -0.367) 4.389 4.987 ( -1.711 4.025 -0.367) 4.389 5.130 ( 0.875 -1.853 0.096) 2.051 5.130 ( 0.875 1.853 0.096) 2.051 5.214 ( 2.683 -3.682 -4.121) 6.143 5.214 ( 2.683 3.682 -4.121) 6.143 5.320 ( 1.427 -1.305 -0.514) 2.001 5.320 ( 1.427 1.305 -0.514) 2.001 5.510 ( 1.549 -1.824 -3.945) 4.614 5.510 ( 1.549 1.824 -3.945) 4.614 5.651 ( 3.827 -3.285 -3.779) 6.302 5.651 ( 3.827 3.285 -3.779) 6.302 5.830 ( -2.199 -3.260 -1.697) 4.283 5.830 ( -2.199 3.260 -1.697) 4.283 5.922 ( -0.904 -2.630 5.058) 5.772 5.922 ( -0.904 2.630 5.058) 5.772 6.130 ( 1.795 -0.642 0.615) 2.003 6.130 ( 1.795 0.642 0.615) 2.003 6.300 ( -5.790 -4.183 -1.939) 7.402 6.300 ( -5.790 4.183 -1.939) 7.402 6.433 ( -1.051 -3.889 4.962) 6.391 6.433 ( -1.051 3.889 4.962) 6.391 6.625 ( -2.226 -4.778 0.065) 5.272 6.625 ( -2.226 4.778 0.065) 5.272 6.785 ( 5.421 -2.313 -0.579) 5.922 6.785 ( 5.421 2.313 -0.579) 5.922 6.999 ( 0.842 -3.998 -1.233) 4.268 6.999 ( 0.842 3.998 -1.233) 4.268 8.292 ( 16.580 -1.460 0.212) 16.645 8.292 ( 16.580 1.460 0.212) 16.645 8.400 ( 15.060 -4.109 -0.037) 15.610 8.400 ( 15.060 4.109 -0.037) 15.610 8.733 ( -2.732 -5.070 -0.887) 5.827 8.733 ( -2.732 5.070 -0.887) 5.827 8.861 ( -4.691 -2.334 -0.348) 5.251 8.861 ( -4.691 2.334 -0.348) 5.251 8.962 ( -4.533 -3.634 -0.210) 5.813 8.962 ( -4.533 3.634 -0.210) 5.813 9.113 ( -1.007 -2.835 -1.641) 3.427 9.113 ( -1.007 2.835 -1.641) 3.427 9.249 ( -2.067 -4.613 2.828) 5.792 9.249 ( -2.067 4.613 2.828) 5.792 9.385 ( -4.401 -3.690 0.702) 5.787 9.385 ( -4.401 3.690 0.702) 5.787 9.714 ( 0.757 -4.343 -0.070) 4.409 9.714 ( 0.757 4.343 -0.070) 4.409 10.102 ( 8.140 -2.517 -0.632) 8.544 10.102 ( 8.140 2.517 -0.632) 8.544 10.193 ( 8.254 -2.017 0.515) 8.512 10.193 ( 8.254 2.017 0.515) 8.512 10.331 ( 4.761 -2.516 -0.762) 5.438 10.331 ( 4.761 2.516 -0.762) 5.438 10.696 ( 3.738 -1.970 -0.160) 4.228 10.696 ( 3.738 1.970 -0.160) 4.228 10.820 ( 5.496 -4.452 0.310) 7.080 10.820 ( 5.496 4.452 0.310) 7.080 11.216 ( -6.797 -3.240 -0.579) 7.552 11.216 ( -6.797 3.240 -0.579) 7.552 11.293 ( -6.805 -4.898 0.459) 8.397 11.293 ( -6.805 4.898 0.459) 8.397 11.818 ( -0.589 -0.972 0.260) 1.166 11.818 ( -0.589 0.972 0.260) 1.166 11.924 ( -0.268 -1.419 0.395) 1.497 11.924 ( -0.268 1.419 0.395) 1.497 12.014 ( 3.358 -1.849 1.391) 4.078 12.014 ( 3.358 1.849 1.391) 4.078 12.233 ( 3.362 -4.496 -1.765) 5.885 12.233 ( 3.362 4.496 -1.765) 5.885 12.615 ( -2.232 -5.026 0.694) 5.543 12.615 ( -2.232 5.026 0.694) 5.543 12.686 ( -1.862 -5.155 -0.522) 5.506 12.686 ( -1.862 5.155 -0.522) 5.506 13.176 ( -5.850 -3.314 -0.315) 6.730 13.176 ( -5.850 3.314 -0.315) 6.730 13.215 ( -6.133 -3.657 0.366) 7.150 13.215 ( -6.133 3.657 0.366) 7.150 14.037 ( 5.891 -0.964 0.653) 6.005 14.037 ( 5.891 0.964 0.653) 6.005 14.143 ( 8.133 -3.645 -1.268) 9.002 14.143 ( 8.133 3.645 -1.268) 9.002 14.322 ( -3.101 -11.546 1.080) 12.004 14.322 ( -3.101 11.546 1.080) 12.004 14.495 ( -3.642 -2.183 -0.139) 4.248 14.495 ( -3.642 2.183 -0.139) 4.248 14.726 ( -10.869 -6.872 0.856) 12.888 14.726 ( -10.869 6.872 0.856) 12.888 14.889 ( -9.986 -1.914 -2.367) 10.440 14.889 ( -9.986 1.914 -2.367) 10.440 15.170 ( -6.088 -7.753 1.604) 9.987 15.170 ( -6.088 7.753 1.604) 9.987 15.484 ( 9.263 -4.534 -2.442) 10.599 15.484 ( 9.263 4.534 -2.442) 10.599 15.569 ( 4.324 -0.961 -0.782) 4.498 15.569 ( 4.324 0.961 -0.782) 4.498 15.884 ( 2.658 -4.472 -3.098) 6.055 15.884 ( 2.658 4.472 -3.098) 6.055 16.243 ( -2.323 -0.468 -0.342) 2.395 16.243 ( -2.323 0.468 -0.342) 2.395 16.368 ( -9.343 -4.642 0.041) 10.432 16.368 ( -9.343 4.642 0.041) 10.432 17.055 ( 0.154 -1.008 0.350) 1.078 17.055 ( 0.154 1.008 0.350) 1.078 17.117 ( -0.873 -1.216 -0.357) 1.539 17.117 ( -0.873 1.216 -0.357) 1.539 19.537 ( -0.840 -4.235 -1.466) 4.559 19.537 ( -0.840 4.235 -1.466) 4.559 19.703 ( -4.946 -2.575 0.017) 5.576 19.703 ( -4.946 2.575 0.017) 5.576 20.465 ( 4.088 -0.753 1.573) 4.444 20.465 ( 4.088 0.753 1.573) 4.444 20.689 ( 3.488 -0.300 -1.398) 3.770 20.689 ( 3.488 0.300 -1.398) 3.770 21.606 ( -5.456 -1.159 -0.509) 5.601 21.606 ( -5.456 1.159 -0.509) 5.601 21.751 ( -6.580 -0.189 1.041) 6.665 21.751 ( -6.580 0.189 1.041) 6.665 22.891 ( 5.348 -1.318 -2.954) 6.250 22.891 ( 5.348 1.318 -2.954) 6.250 23.082 ( 8.086 -0.197 2.645) 8.510 23.082 ( 8.086 0.197 2.645) 8.510 26.645 ( -9.179 -0.843 0.104) 9.218 26.645 ( -9.179 0.843 0.104) 9.218 26.777 ( -18.335 -6.593 -1.325) 19.529 26.777 ( -18.335 6.593 -1.325) 19.529 29.182 ( 19.809 -4.700 0.935) 20.381 29.182 ( 19.809 4.700 0.935) 20.381 29.273 ( 14.763 -3.497 0.015) 15.171 29.273 ( 14.763 3.497 0.015) 15.171 29.891 ( -19.933 -5.642 1.633) 20.780 29.891 ( -19.933 5.642 1.633) 20.780 30.293 ( 0.415 -0.756 0.177) 0.880 30.293 ( 0.415 0.756 0.177) 0.880 30.352 ( -4.032 -2.164 0.814) 4.648 30.352 ( -4.032 2.164 0.814) 4.648 30.816 ( -1.990 -8.450 -4.132) 9.614 30.816 ( -1.990 8.450 -4.132) 9.614 31.363 ( 4.823 -0.356 0.381) 4.851 31.363 ( 4.823 0.356 0.381) 4.851 31.766 ( 10.228 -2.176 -2.930) 10.859 31.766 ( 10.228 2.176 -2.930) 10.859 31.938 ( 3.713 -3.280 -0.198) 4.958 31.938 ( 3.713 3.280 -0.198) 4.958 32.199 ( -7.217 -3.239 -1.204) 8.001 32.199 ( -7.217 3.239 -1.204) 8.001 32.291 ( -13.050 -1.937 0.823) 13.218 32.291 ( -13.050 1.937 0.823) 13.218 32.972 ( 4.649 -6.433 -11.055) 13.609 32.972 ( 4.649 6.433 -11.055) 13.609 33.501 ( 16.887 -13.883 -37.773) 43.643 33.501 ( 16.887 13.883 -37.773) 43.643 33.690 ( 7.821 -0.791 -7.475) 10.847 33.690 ( 7.821 0.791 -7.475) 10.847 34.023 ( 0.358 -1.097 -3.003) 3.217 34.023 ( 0.358 1.097 -3.003) 3.217 34.435 ( -0.789 -0.981 2.869) 3.134 34.435 ( -0.789 0.981 2.869) 3.134 34.975 ( -3.924 -3.087 -1.330) 5.166 34.975 ( -3.924 3.087 -1.330) 5.166 35.126 ( -0.769 -2.781 0.268) 2.897 35.126 ( -0.769 2.781 0.268) 2.897 35.222 ( 1.050 -0.842 3.124) 3.402 35.222 ( 1.050 0.842 3.124) 3.402 35.360 ( 1.814 -1.765 6.067) 6.573 35.360 ( 1.814 1.765 6.067) 6.573 35.934 ( -18.332 -18.752 44.090) 51.299 35.934 ( -18.332 18.752 44.090) 51.299 37.983 ( 11.753 -10.466 -3.577) 16.139 37.983 ( 11.753 10.466 -3.577) 16.139 ======================= Grid point 90 (43/69) ======================= q-point: ( 0.00 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 69 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.517 ( 0.330 0.000 18.371) 18.374 0.763 ( -0.309 0.000 3.747) 3.760 1.151 ( -0.564 0.000 -1.230) 1.353 1.364 ( 4.148 0.000 -10.277) 11.082 1.692 ( -0.365 0.000 8.911) 8.919 1.850 ( 0.945 0.000 -7.412) 7.472 1.859 ( -2.258 0.000 24.274) 24.379 2.066 ( 4.129 0.000 23.391) 23.753 2.244 ( -3.403 0.000 -6.499) 7.335 2.297 ( -2.392 0.000 14.953) 15.143 2.301 ( 5.726 0.000 -6.138) 8.394 2.324 ( -4.557 0.000 13.682) 14.421 2.394 ( -1.951 0.000 -2.629) 3.274 2.436 ( -4.782 0.000 -2.956) 5.621 2.572 ( 6.840 0.000 0.219) 6.844 2.628 ( -2.921 0.000 4.902) 5.706 2.632 ( 7.076 0.000 -11.297) 13.330 2.690 ( -2.793 0.000 -7.591) 8.089 2.776 ( 1.946 0.000 0.133) 1.950 2.802 ( 2.226 0.000 -4.069) 4.638 2.871 ( -4.505 0.000 -0.756) 4.568 2.902 ( -0.009 0.000 -8.567) 8.567 2.934 ( -1.237 0.000 2.669) 2.942 3.057 ( 2.588 0.000 -5.795) 6.347 3.155 ( 0.649 0.000 -0.193) 0.677 3.184 ( 0.193 0.000 -2.793) 2.800 3.314 ( 7.365 0.000 4.373) 8.566 3.321 ( -7.992 0.000 -0.075) 7.993 3.373 ( 6.014 0.000 0.609) 6.045 3.433 ( -3.874 0.000 -4.259) 5.758 3.518 ( -4.710 0.000 7.567) 8.913 3.720 ( 2.014 0.000 -8.107) 8.353 3.831 ( -0.937 0.000 10.979) 11.019 3.862 ( -0.087 0.000 10.519) 10.520 3.984 ( 3.894 0.000 5.927) 7.092 4.032 ( 5.468 0.000 -5.212) 7.554 4.043 ( -2.504 0.000 -5.222) 5.791 4.122 ( -0.389 0.000 -7.162) 7.173 4.259 ( -2.697 0.000 -4.695) 5.414 4.306 ( -1.228 0.000 -5.103) 5.248 4.314 ( -0.007 0.000 9.955) 9.955 4.365 ( 3.879 0.000 6.294) 7.393 4.432 ( -2.407 0.000 1.336) 2.753 4.482 ( -1.722 0.000 -2.618) 3.134 4.613 ( -0.611 0.000 2.812) 2.878 4.653 ( -0.150 0.000 -1.607) 1.614 4.701 ( 0.250 0.000 2.495) 2.508 4.783 ( 0.734 0.000 -5.895) 5.940 4.883 ( -0.261 0.000 -0.284) 0.386 4.957 ( -1.652 0.000 -6.058) 6.279 4.976 ( 3.455 0.000 -1.911) 3.949 5.069 ( -7.053 0.000 -10.345) 12.521 5.115 ( 3.700 0.000 2.716) 4.589 5.186 ( -3.493 0.000 -2.918) 4.551 5.298 ( 4.974 0.000 1.188) 5.114 5.371 ( 0.435 0.000 -5.519) 5.536 5.437 ( -2.428 0.000 1.121) 2.674 5.444 ( 4.180 0.000 0.703) 4.239 5.608 ( 1.605 0.000 1.020) 1.902 5.631 ( 0.115 0.000 -1.150) 1.156 5.840 ( 4.684 0.000 7.005) 8.427 5.898 ( -1.272 0.000 1.937) 2.317 5.995 ( -1.728 0.000 -0.414) 1.777 6.055 ( -1.234 0.000 -6.846) 6.957 6.088 ( -4.243 0.000 4.270) 6.020 6.185 ( -1.446 0.000 -4.157) 4.402 6.298 ( -2.492 0.000 2.317) 3.403 6.310 ( 1.335 0.000 0.552) 1.445 6.513 ( 1.372 0.000 -0.465) 1.449 6.529 ( 0.749 0.000 -1.446) 1.628 6.659 ( 0.605 0.000 1.970) 2.061 6.686 ( -0.538 0.000 -0.542) 0.764 6.772 ( 1.673 0.000 1.651) 2.351 6.815 ( 0.735 0.000 -2.295) 2.410 7.233 ( -4.938 0.000 4.422) 6.628 7.305 ( 4.004 0.000 -2.540) 4.742 8.364 ( -4.798 0.000 0.828) 4.869 8.392 ( 4.033 0.000 -1.848) 4.436 8.578 ( 9.456 0.000 3.736) 10.167 8.618 ( -6.771 0.000 2.793) 7.324 8.654 ( -5.090 0.000 -2.675) 5.750 8.680 ( 2.855 0.000 -4.054) 4.959 8.758 ( 0.645 0.000 2.250) 2.340 8.786 ( -2.333 0.000 0.375) 2.363 8.942 ( 3.158 0.000 -1.538) 3.513 8.959 ( -3.552 0.000 -2.181) 4.168 9.085 ( -0.006 0.000 0.890) 0.890 9.119 ( 0.206 0.000 -1.814) 1.825 9.192 ( 2.390 0.000 0.594) 2.463 9.215 ( -2.294 0.000 -0.885) 2.458 9.408 ( -1.690 0.000 1.003) 1.965 9.425 ( 2.749 0.000 -0.692) 2.835 9.714 ( -3.633 0.000 6.971) 7.861 9.849 ( 5.527 0.000 -4.696) 7.253 10.051 ( -2.570 0.000 -1.904) 3.199 10.065 ( 0.976 0.000 -1.983) 2.210 10.176 ( -1.858 0.000 0.446) 1.911 10.196 ( 2.027 0.000 -1.155) 2.333 10.366 ( 1.723 0.000 3.252) 3.680 10.429 ( -2.609 0.000 -2.768) 3.804 10.687 ( -1.321 0.000 -0.242) 1.343 10.691 ( 0.529 0.000 -0.691) 0.870 10.886 ( 1.530 0.000 2.311) 2.771 10.929 ( -1.921 0.000 -1.806) 2.636 11.037 ( -0.518 0.000 0.399) 0.654 11.049 ( 1.488 0.000 -0.716) 1.651 11.353 ( -0.631 0.000 1.773) 1.882 11.386 ( 0.474 0.000 -1.329) 1.411 11.785 ( -5.142 0.000 0.477) 5.164 11.806 ( 5.179 0.000 -1.752) 5.468 11.926 ( -2.019 0.000 2.581) 3.277 11.968 ( -0.255 0.000 -1.410) 1.433 11.994 ( -0.107 0.000 2.309) 2.311 12.037 ( -0.823 0.000 -1.672) 1.864 12.112 ( 4.189 0.000 2.481) 4.869 12.165 ( -1.133 0.000 -2.581) 2.819 12.404 ( -0.758 0.000 -0.006) 0.759 12.408 ( -0.069 0.000 -0.515) 0.519 12.770 ( 1.606 0.000 1.320) 2.079 12.793 ( -1.254 0.000 -0.886) 1.535 13.075 ( -0.927 0.000 1.552) 1.807 13.112 ( 1.210 0.000 -2.039) 2.371 13.223 ( 1.376 0.000 1.268) 1.871 13.246 ( -1.759 0.000 -0.940) 1.994 13.912 ( 1.587 0.000 0.538) 1.676 13.923 ( -1.604 0.000 -0.603) 1.713 14.107 ( -0.721 0.000 -0.114) 0.730 14.108 ( 1.122 0.000 -0.192) 1.138 14.223 ( -0.733 0.000 1.619) 1.777 14.257 ( 0.217 0.000 -1.586) 1.600 14.413 ( 0.802 0.000 0.888) 1.196 14.432 ( 2.769 0.000 -0.992) 2.941 14.638 ( -2.065 0.000 1.116) 2.347 14.651 ( 1.438 0.000 -0.238) 1.458 14.768 ( 0.174 0.000 0.271) 0.322 14.788 ( -0.094 0.000 -1.786) 1.789 14.886 ( 4.310 0.000 2.004) 4.753 14.919 ( -3.911 0.000 -1.073) 4.056 15.522 ( 0.808 0.000 1.739) 1.917 15.546 ( -2.325 0.000 -1.052) 2.552 15.637 ( -2.457 0.000 1.103) 2.693 15.644 ( 2.142 0.000 0.286) 2.161 15.754 ( 2.121 0.000 6.140) 6.496 15.893 ( -0.210 0.000 -6.619) 6.622 16.214 ( 0.367 0.000 0.295) 0.471 16.225 ( -1.993 0.000 -0.830) 2.159 16.260 ( 1.239 0.000 1.855) 2.231 16.293 ( -0.962 0.000 -1.272) 1.595 17.034 ( 0.446 0.000 0.348) 0.566 17.044 ( -0.503 0.000 -0.598) 0.781 17.123 ( -0.719 0.000 1.652) 1.802 17.145 ( 1.063 0.000 -0.472) 1.164 19.467 ( -1.401 0.000 0.369) 1.449 19.490 ( 1.212 0.000 -1.974) 2.317 19.749 ( -0.593 0.000 1.278) 1.409 19.761 ( 0.322 0.000 0.064) 0.328 20.512 ( -3.695 0.000 1.987) 4.195 20.538 ( 2.581 0.000 -0.150) 2.585 20.676 ( -1.625 0.000 -0.369) 1.667 20.693 ( 2.815 0.000 -1.567) 3.222 21.561 ( 0.848 0.000 2.337) 2.486 21.605 ( 0.470 0.000 -2.012) 2.066 21.721 ( -0.636 0.000 0.304) 0.705 21.727 ( -0.343 0.000 -0.180) 0.388 22.890 ( -2.878 0.000 -1.109) 3.084 22.895 ( 2.448 0.000 -1.754) 3.012 23.201 ( -1.381 0.000 1.065) 1.744 23.205 ( 0.611 0.000 0.548) 0.821 26.552 ( -1.264 0.000 -0.115) 1.269 26.554 ( 1.143 0.000 -0.314) 1.185 26.609 ( 1.418 0.000 0.636) 1.554 26.619 ( -0.714 0.000 -0.352) 0.795 29.339 ( 4.569 0.000 0.880) 4.653 29.352 ( -22.163 0.000 0.574) 22.171 29.364 ( 19.876 0.000 1.257) 19.916 29.414 ( 1.694 0.000 -2.543) 3.056 29.494 ( -4.803 0.000 0.626) 4.843 29.513 ( 0.669 0.000 -1.266) 1.432 30.181 ( 3.838 0.000 10.633) 11.304 30.280 ( -1.985 0.000 -2.408) 3.120 30.317 ( -0.415 0.000 3.719) 3.742 30.370 ( -0.264 0.000 -2.075) 2.092 30.386 ( -6.391 0.000 11.422) 13.088 30.695 ( 4.090 0.000 -12.667) 13.311 31.293 ( 1.958 0.000 2.038) 2.826 31.340 ( -2.688 0.000 -2.315) 3.547 31.561 ( 1.687 0.000 9.365) 9.516 31.810 ( 3.752 0.000 -11.227) 11.837 31.868 ( 4.037 0.000 1.603) 4.343 31.909 ( -1.156 0.000 -2.550) 2.800 32.043 ( -2.219 0.000 5.251) 5.701 32.105 ( -5.663 0.000 -0.745) 5.712 32.119 ( -1.019 0.000 1.284) 1.639 32.207 ( -0.378 0.000 0.493) 0.621 32.220 ( 2.450 0.000 -0.810) 2.580 32.346 ( -0.411 0.000 -25.990) 25.994 33.163 ( 0.010 0.000 1.511) 1.511 33.184 ( -0.018 0.000 -2.474) 2.475 33.455 ( -0.294 0.000 1.334) 1.366 33.574 ( 0.145 0.000 -8.237) 8.239 34.266 ( 9.743 0.000 2.636) 10.093 34.325 ( -7.058 0.000 -2.808) 7.596 34.395 ( 7.758 0.000 7.500) 10.790 34.501 ( -4.645 0.000 -2.485) 5.268 34.917 ( -4.227 0.000 3.467) 5.467 34.991 ( 3.357 0.000 -3.601) 4.923 35.074 ( -2.702 0.000 3.534) 4.449 35.138 ( 2.240 0.000 -2.630) 3.455 35.289 ( -0.374 0.000 2.575) 2.602 35.340 ( 1.171 0.000 -2.312) 2.592 35.428 ( 0.834 0.000 1.432) 1.657 35.432 ( -1.530 0.000 0.771) 1.713 36.636 ( -1.382 0.000 33.631) 33.660 37.203 ( 0.952 0.000 -22.559) 22.579 38.163 ( -3.792 0.000 3.950) 5.476 38.245 ( 2.245 0.000 -3.938) 4.533 ======================= Grid point 91 (44/69) ======================= q-point: ( 0.11 0.00 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 69 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.984 ( 29.570 0.000 7.646) 30.543 0.989 ( 32.868 0.000 -9.525) 34.220 1.248 ( 2.140 0.000 8.288) 8.560 1.316 ( 10.362 0.000 -10.547) 14.786 1.690 ( -8.116 0.000 9.914) 12.813 1.762 ( 0.018 0.000 -7.726) 7.726 2.018 ( -4.012 0.000 -16.342) 16.827 2.143 ( 0.946 0.000 13.480) 13.513 2.169 ( -3.814 0.000 -12.431) 13.003 2.277 ( 3.742 0.000 6.245) 7.280 2.342 ( -3.162 0.000 6.351) 7.094 2.419 ( 2.495 0.000 -0.767) 2.611 2.443 ( -3.033 0.000 10.346) 10.781 2.458 ( 0.116 0.000 8.199) 8.200 2.511 ( 0.307 0.000 -16.643) 16.646 2.622 ( 10.088 0.000 -13.341) 16.726 2.666 ( 2.942 0.000 7.056) 7.645 2.759 ( 0.910 0.000 -4.934) 5.017 2.783 ( 7.864 0.000 -2.000) 8.115 2.815 ( 0.659 0.000 0.100) 0.667 2.848 ( 5.277 0.000 7.895) 9.496 2.928 ( 3.352 0.000 1.486) 3.666 3.011 ( 3.624 0.000 0.462) 3.654 3.043 ( 6.816 0.000 -2.597) 7.294 3.096 ( -9.347 0.000 -1.682) 9.497 3.149 ( -1.069 0.000 0.997) 1.462 3.248 ( 1.777 0.000 4.295) 4.648 3.336 ( -1.631 0.000 -5.763) 5.990 3.440 ( 5.754 0.000 -4.319) 7.195 3.486 ( 5.642 0.000 2.941) 6.362 3.538 ( -5.399 0.000 13.313) 14.366 3.596 ( -4.315 0.000 -6.785) 8.041 3.891 ( -5.852 0.000 -0.117) 5.853 3.893 ( -5.106 0.000 -6.304) 8.112 3.963 ( 2.922 0.000 1.949) 3.512 3.999 ( -0.847 0.000 -10.429) 10.463 4.074 ( 0.112 0.000 2.986) 2.988 4.084 ( 6.805 0.000 0.284) 6.811 4.280 ( 0.855 0.000 6.946) 6.999 4.281 ( 1.975 0.000 -0.722) 2.103 4.364 ( -2.106 0.000 -3.742) 4.294 4.379 ( -0.259 0.000 -2.743) 2.755 4.435 ( 0.525 0.000 5.483) 5.509 4.495 ( 3.364 0.000 1.922) 3.874 4.637 ( -1.271 0.000 -2.521) 2.823 4.669 ( 1.920 0.000 2.320) 3.011 4.723 ( -1.125 0.000 1.842) 2.158 4.733 ( 0.884 0.000 -1.332) 1.599 4.844 ( -6.308 0.000 3.288) 7.113 4.904 ( 1.017 0.000 -2.569) 2.763 4.979 ( 2.581 0.000 1.898) 3.204 5.029 ( 0.603 0.000 1.913) 2.006 5.166 ( 3.481 0.000 1.144) 3.664 5.200 ( 0.562 0.000 3.420) 3.466 5.285 ( -1.006 0.000 -7.142) 7.213 5.351 ( 0.211 0.000 -0.049) 0.217 5.388 ( -3.511 0.000 -1.176) 3.702 5.486 ( 2.114 0.000 -2.500) 3.274 5.578 ( -3.713 0.000 -1.087) 3.869 5.618 ( -1.297 0.000 -0.827) 1.538 5.843 ( -1.586 0.000 -4.976) 5.222 5.924 ( 1.073 0.000 -0.236) 1.098 6.006 ( 0.948 0.000 0.668) 1.160 6.008 ( 0.724 0.000 5.496) 5.543 6.150 ( 2.652 0.000 7.798) 8.237 6.151 ( -0.430 0.000 -2.383) 2.421 6.267 ( -3.409 0.000 -0.935) 3.535 6.318 ( -1.365 0.000 4.203) 4.419 6.518 ( 1.118 0.000 -4.512) 4.648 6.526 ( 0.190 0.000 1.221) 1.236 6.644 ( -2.673 0.000 -0.869) 2.810 6.668 ( -0.587 0.000 0.584) 0.829 6.792 ( 0.814 0.000 -3.600) 3.691 6.809 ( 1.135 0.000 0.479) 1.232 7.129 ( -11.801 0.000 0.252) 11.804 7.250 ( -6.494 0.000 0.701) 6.532 8.193 ( -16.705 0.000 1.477) 16.770 8.250 ( -17.243 0.000 -1.559) 17.313 8.436 ( -16.789 0.000 2.946) 17.045 8.542 ( -2.935 0.000 -2.748) 4.021 8.596 ( -6.649 0.000 -3.166) 7.365 8.735 ( 1.597 0.000 1.416) 2.134 8.834 ( 6.832 0.000 0.557) 6.855 8.864 ( -0.121 0.000 5.276) 5.277 8.965 ( 10.688 0.000 -2.154) 10.903 9.002 ( 5.399 0.000 -0.541) 5.426 9.109 ( 0.858 0.000 1.730) 1.931 9.159 ( 6.231 0.000 -0.315) 6.239 9.196 ( 1.261 0.000 -2.527) 2.825 9.243 ( 1.240 0.000 2.085) 2.426 9.415 ( 2.779 0.000 0.102) 2.781 9.456 ( 1.877 0.000 -1.092) 2.171 9.722 ( -3.833 0.000 4.480) 5.896 9.833 ( 2.611 0.000 -8.274) 8.676 9.999 ( -5.573 0.000 1.966) 5.909 10.046 ( -1.785 0.000 0.737) 1.931 10.111 ( -7.915 0.000 0.692) 7.945 10.170 ( -4.075 0.000 -1.180) 4.243 10.308 ( -6.777 0.000 -0.703) 6.813 10.356 ( -7.552 0.000 2.459) 7.942 10.631 ( -5.612 0.000 0.411) 5.628 10.647 ( -5.681 0.000 0.409) 5.696 10.838 ( -5.178 0.000 -1.936) 5.528 10.891 ( -3.158 0.000 2.280) 3.895 11.152 ( 11.801 0.000 0.218) 11.803 11.176 ( 13.099 0.000 -0.882) 13.129 11.378 ( 1.810 0.000 1.506) 2.355 11.392 ( 2.396 0.000 -1.231) 2.694 11.748 ( -0.683 0.000 0.975) 1.191 11.881 ( 4.054 0.000 -1.791) 4.432 11.904 ( -4.561 0.000 3.110) 5.520 11.955 ( 0.952 0.000 0.668) 1.163 11.988 ( -2.684 0.000 -1.129) 2.912 12.000 ( -2.676 0.000 3.122) 4.112 12.085 ( -2.682 0.000 -5.013) 5.685 12.194 ( 3.980 0.000 0.014) 3.980 12.442 ( 4.988 0.000 0.481) 5.011 12.443 ( 4.117 0.000 0.695) 4.175 12.767 ( -0.284 0.000 -1.355) 1.384 12.806 ( 1.359 0.000 0.786) 1.570 13.082 ( -0.242 0.000 1.300) 1.322 13.105 ( 0.915 0.000 -1.577) 1.823 13.369 ( 16.626 0.000 2.620) 16.832 13.391 ( 15.473 0.000 -1.175) 15.517 13.838 ( -8.196 0.000 -0.055) 8.196 13.869 ( -8.461 0.000 -0.146) 8.462 14.081 ( 0.459 0.000 0.280) 0.538 14.103 ( 0.342 0.000 -0.619) 0.708 14.180 ( -5.864 0.000 1.645) 6.091 14.188 ( -5.976 0.000 -1.268) 6.109 14.504 ( 7.792 0.000 -0.462) 7.805 14.564 ( 12.400 0.000 -3.496) 12.883 14.623 ( 1.854 0.000 1.210) 2.214 14.669 ( 2.339 0.000 -1.226) 2.641 14.900 ( 13.392 0.000 1.006) 13.429 14.908 ( 14.641 0.000 0.104) 14.641 14.949 ( 9.434 0.000 -1.358) 9.531 15.055 ( 13.324 0.000 0.391) 13.330 15.492 ( -3.838 0.000 -0.568) 3.880 15.527 ( -7.216 0.000 2.238) 7.555 15.577 ( 0.271 0.000 0.359) 0.450 15.613 ( -4.419 0.000 -0.300) 4.429 15.782 ( -3.456 0.000 -7.741) 8.477 15.827 ( -1.497 0.000 5.711) 5.904 16.253 ( 4.152 0.000 -0.555) 4.188 16.275 ( 3.570 0.000 2.356) 4.277 16.285 ( 2.606 0.000 -1.818) 3.177 16.320 ( 4.535 0.000 1.754) 4.862 17.033 ( -0.049 0.000 -0.532) 0.534 17.048 ( 0.746 0.000 0.671) 1.004 17.126 ( -0.452 0.000 0.843) 0.957 17.151 ( 1.065 0.000 -1.477) 1.821 19.483 ( 2.264 0.000 1.626) 2.788 19.513 ( 3.589 0.000 -1.519) 3.897 19.748 ( -0.255 0.000 0.803) 0.843 19.756 ( -0.253 0.000 -0.257) 0.361 20.440 ( -7.699 0.000 1.984) 7.951 20.533 ( -3.254 0.000 -0.024) 3.254 20.622 ( -4.417 0.000 -0.725) 4.476 20.693 ( -0.923 0.000 -1.122) 1.453 21.624 ( 5.525 0.000 -2.594) 6.104 21.628 ( 4.947 0.000 0.372) 4.961 21.764 ( 5.303 0.000 1.089) 5.413 21.765 ( 5.223 0.000 0.538) 5.250 22.816 ( -6.224 0.000 0.178) 6.226 22.892 ( -1.705 0.000 0.406) 1.753 23.136 ( -8.005 0.000 0.773) 8.042 23.169 ( -5.623 0.000 0.035) 5.623 26.616 ( 8.916 0.000 0.173) 8.918 26.634 ( 9.018 0.000 0.457) 9.030 26.742 ( 16.372 0.000 -4.403) 16.954 26.771 ( 17.931 0.000 3.783) 18.326 29.008 ( -22.869 0.000 1.003) 22.891 29.047 ( -21.912 0.000 -1.386) 21.956 29.366 ( -13.760 0.000 -0.137) 13.761 29.391 ( -12.167 0.000 -0.295) 12.171 29.701 ( 20.888 0.000 -0.598) 20.897 29.710 ( 18.705 0.000 1.713) 18.783 30.232 ( 1.786 0.000 -4.845) 5.164 30.320 ( 5.702 0.000 2.422) 6.196 30.348 ( 0.973 0.000 -2.232) 2.434 30.362 ( 1.151 0.000 1.743) 2.089 30.545 ( 4.426 0.000 17.220) 17.779 30.673 ( 10.966 0.000 -13.080) 17.069 31.255 ( -5.580 0.000 -2.420) 6.082 31.339 ( -0.525 0.000 3.478) 3.517 31.588 ( -8.575 0.000 -12.577) 15.222 31.590 ( -9.497 0.000 7.395) 12.037 31.813 ( -3.787 0.000 -3.001) 4.832 31.851 ( -5.884 0.000 1.192) 6.004 32.046 ( -1.117 0.000 -4.053) 4.204 32.170 ( 4.317 0.000 4.662) 6.354 32.231 ( 10.742 0.000 13.805) 17.492 32.276 ( 10.264 0.000 -3.864) 10.968 32.330 ( 12.906 0.000 0.328) 12.910 32.348 ( 13.631 0.000 -3.268) 14.017 33.166 ( -0.753 0.000 0.744) 1.058 33.167 ( -0.570 0.000 -0.672) 0.881 33.470 ( -2.839 0.000 -5.726) 6.391 33.478 ( -3.032 0.000 6.587) 7.252 34.166 ( -7.628 0.000 -4.723) 8.971 34.352 ( -7.121 0.000 -7.602) 10.416 34.425 ( 7.986 0.000 1.078) 8.059 34.556 ( 5.548 0.000 2.723) 6.181 34.900 ( -3.448 0.000 4.115) 5.369 35.013 ( 4.032 0.000 -2.839) 4.931 35.080 ( -1.641 0.000 3.547) 3.908 35.149 ( 3.130 0.000 -2.910) 4.274 35.316 ( 0.384 0.000 1.961) 1.998 35.332 ( 1.755 0.000 -3.173) 3.626 35.410 ( -2.072 0.000 -0.018) 2.072 35.448 ( 0.447 0.000 0.683) 0.816 36.915 ( -1.667 0.000 -26.841) 26.893 36.932 ( -4.214 0.000 26.457) 26.791 38.040 ( -17.889 0.000 7.941) 19.572 38.114 ( -12.986 0.000 -6.237) 14.406 ======================= Grid point 92 (45/69) ======================= q-point: ( 0.22 0.00 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 69 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.212 ( 9.201 0.000 -14.604) 17.261 1.245 ( 16.930 0.000 -15.208) 22.758 1.521 ( 24.163 0.000 6.456) 25.011 1.669 ( 17.873 0.000 13.872) 22.624 1.716 ( 0.958 0.000 -9.245) 9.294 1.755 ( 7.623 0.000 10.414) 12.906 1.867 ( 10.214 0.000 -8.246) 13.127 2.021 ( 1.194 0.000 -10.309) 10.378 2.171 ( -0.865 0.000 -7.456) 7.506 2.265 ( -3.681 0.000 -15.921) 16.341 2.274 ( 0.868 0.000 -6.421) 6.479 2.407 ( -2.326 0.000 8.857) 9.157 2.470 ( 2.355 0.000 -2.591) 3.502 2.500 ( 1.883 0.000 5.575) 5.885 2.563 ( -1.046 0.000 10.246) 10.299 2.588 ( 2.459 0.000 -10.078) 10.373 2.652 ( 1.488 0.000 -9.189) 9.309 2.799 ( 3.658 0.000 5.170) 6.333 2.813 ( -0.575 0.000 -6.352) 6.378 2.938 ( 5.803 0.000 7.191) 9.241 2.942 ( 3.650 0.000 -1.049) 3.798 2.965 ( -2.603 0.000 2.546) 3.641 3.076 ( 0.433 0.000 3.537) 3.564 3.093 ( 3.007 0.000 5.075) 5.899 3.157 ( 4.894 0.000 0.300) 4.904 3.189 ( 6.901 0.000 2.611) 7.378 3.235 ( -0.993 0.000 -0.203) 1.013 3.339 ( 1.524 0.000 -0.991) 1.818 3.440 ( 4.716 0.000 -5.722) 7.415 3.561 ( -0.684 0.000 0.116) 0.693 3.617 ( 9.786 0.000 3.063) 10.254 3.632 ( -0.456 0.000 9.914) 9.924 3.760 ( 0.253 0.000 -2.426) 2.440 3.771 ( -3.271 0.000 -3.888) 5.081 3.866 ( 0.684 0.000 -12.793) 12.812 3.907 ( -2.898 0.000 -11.125) 11.496 4.143 ( -1.127 0.000 3.544) 3.719 4.186 ( -1.573 0.000 -0.716) 1.728 4.210 ( 5.267 0.000 3.251) 6.190 4.308 ( -0.163 0.000 -4.335) 4.338 4.348 ( 2.305 0.000 0.871) 2.464 4.464 ( 2.283 0.000 0.322) 2.306 4.516 ( 1.399 0.000 5.139) 5.326 4.538 ( -0.018 0.000 1.252) 1.252 4.565 ( -2.836 0.000 3.304) 4.354 4.689 ( 1.041 0.000 -0.878) 1.362 4.755 ( -2.265 0.000 3.312) 4.012 4.797 ( 1.674 0.000 3.748) 4.105 4.836 ( -4.338 0.000 12.440) 13.174 4.885 ( -1.052 0.000 -0.370) 1.115 5.038 ( -2.987 0.000 -2.623) 3.975 5.069 ( 1.940 0.000 5.936) 6.245 5.116 ( -10.473 0.000 -0.858) 10.508 5.170 ( 1.009 0.000 -1.740) 2.011 5.291 ( -6.363 0.000 -0.868) 6.422 5.298 ( 5.774 0.000 1.698) 6.018 5.401 ( 4.445 0.000 0.936) 4.543 5.423 ( -3.746 0.000 -6.760) 7.728 5.529 ( -3.060 0.000 -4.076) 5.097 5.533 ( -2.100 0.000 1.168) 2.403 5.880 ( 7.964 0.000 0.175) 7.966 5.970 ( 4.055 0.000 0.882) 4.150 6.055 ( 2.758 0.000 -0.116) 2.760 6.073 ( 1.709 0.000 2.807) 3.286 6.098 ( -2.470 0.000 -1.076) 2.694 6.187 ( -0.684 0.000 -4.514) 4.566 6.226 ( -1.310 0.000 3.539) 3.773 6.389 ( -2.285 0.000 6.178) 6.587 6.486 ( 3.464 0.000 -3.260) 4.757 6.555 ( 0.960 0.000 2.471) 2.651 6.600 ( -0.650 0.000 -2.195) 2.289 6.687 ( 2.815 0.000 -0.108) 2.817 6.790 ( -3.270 0.000 -1.840) 3.752 6.791 ( 4.763 0.000 -2.486) 5.373 6.952 ( -4.794 0.000 -3.691) 6.050 7.169 ( -5.729 0.000 2.891) 6.417 7.921 ( -19.827 0.000 1.445) 19.880 7.939 ( -20.359 0.000 -0.737) 20.373 8.159 ( -22.827 0.000 2.024) 22.916 8.336 ( -14.092 0.000 -2.678) 14.344 8.588 ( 2.971 0.000 -0.778) 3.071 8.722 ( -0.612 0.000 -1.689) 1.797 8.885 ( -1.604 0.000 3.036) 3.434 8.915 ( 2.029 0.000 0.077) 2.030 9.098 ( 4.908 0.000 -2.142) 5.356 9.099 ( 6.350 0.000 0.032) 6.350 9.159 ( 0.919 0.000 1.728) 1.957 9.211 ( 6.245 0.000 0.316) 6.253 9.262 ( 0.610 0.000 2.988) 3.050 9.278 ( 6.962 0.000 -0.751) 7.002 9.458 ( 0.534 0.000 -0.356) 0.641 9.497 ( 6.073 0.000 0.320) 6.082 9.689 ( -3.651 0.000 0.509) 3.686 9.783 ( 2.187 0.000 -7.354) 7.673 9.892 ( -10.645 0.000 2.022) 10.835 9.942 ( -11.599 0.000 -1.085) 11.650 10.026 ( -7.342 0.000 0.950) 7.403 10.049 ( -5.900 0.000 0.569) 5.928 10.214 ( -11.653 0.000 0.660) 11.671 10.263 ( -2.055 0.000 2.557) 3.281 10.549 ( -5.166 0.000 0.942) 5.251 10.550 ( -6.928 0.000 0.972) 6.995 10.750 ( -3.745 0.000 -1.363) 3.985 10.816 ( -8.257 0.000 0.553) 8.276 11.345 ( 11.346 0.000 0.259) 11.349 11.371 ( 11.689 0.000 -0.701) 11.710 11.432 ( 4.325 0.000 -0.815) 4.401 11.449 ( 4.719 0.000 1.055) 4.835 11.761 ( -0.028 0.000 1.217) 1.217 11.835 ( -5.010 0.000 -2.207) 5.475 11.871 ( -3.924 0.000 2.899) 4.879 11.912 ( -4.311 0.000 -1.289) 4.500 12.002 ( -1.436 0.000 3.553) 3.832 12.012 ( 4.350 0.000 0.587) 4.389 12.088 ( 7.127 0.000 -2.551) 7.569 12.217 ( 0.799 0.000 -2.108) 2.254 12.530 ( 5.137 0.000 1.095) 5.252 12.538 ( 5.686 0.000 0.378) 5.698 12.760 ( 1.250 0.000 -0.795) 1.481 12.825 ( 0.291 0.000 -0.197) 0.352 13.097 ( 0.967 0.000 0.631) 1.155 13.117 ( 2.502 0.000 -0.869) 2.649 13.624 ( 15.397 0.000 -1.194) 15.444 13.691 ( -3.878 0.000 2.459) 4.592 13.711 ( -9.135 0.000 -0.447) 9.146 13.718 ( 11.149 0.000 4.125) 11.887 14.074 ( -4.486 0.000 -1.206) 4.645 14.086 ( -2.536 0.000 0.461) 2.577 14.108 ( -0.989 0.000 -0.574) 1.144 14.140 ( 0.607 0.000 0.458) 0.761 14.557 ( -1.010 0.000 -1.481) 1.793 14.589 ( -0.645 0.000 0.502) 0.817 14.777 ( 11.575 0.000 1.588) 11.684 14.795 ( 13.026 0.000 -2.204) 13.211 15.097 ( 9.897 0.000 0.629) 9.917 15.132 ( 12.736 0.000 0.937) 12.770 15.170 ( 14.209 0.000 -0.116) 14.209 15.241 ( 8.449 0.000 0.142) 8.450 15.408 ( -6.645 0.000 0.916) 6.708 15.415 ( -4.200 0.000 -1.149) 4.354 15.577 ( 2.777 0.000 -0.576) 2.836 15.645 ( -2.857 0.000 -5.845) 6.506 15.680 ( 8.029 0.000 4.423) 9.166 15.836 ( -3.773 0.000 3.695) 5.281 16.287 ( 2.321 0.000 -1.381) 2.701 16.326 ( 0.071 0.000 2.905) 2.906 16.329 ( 3.490 0.000 -1.490) 3.794 16.431 ( 3.283 0.000 3.757) 4.989 17.034 ( 0.923 0.000 -0.430) 1.019 17.076 ( 1.623 0.000 1.169) 2.000 17.136 ( 0.558 0.000 0.868) 1.032 17.147 ( 1.276 0.000 -2.486) 2.794 19.545 ( 3.457 0.000 -2.246) 4.123 19.570 ( 5.713 0.000 2.535) 6.250 19.769 ( 2.799 0.000 -0.098) 2.800 19.803 ( 5.828 0.000 2.232) 6.241 20.334 ( -9.097 0.000 2.511) 9.437 20.437 ( -7.799 0.000 -1.637) 7.969 20.534 ( -6.457 0.000 0.629) 6.487 20.642 ( -4.429 0.000 -0.418) 4.449 21.716 ( 8.188 0.000 -2.030) 8.436 21.721 ( 9.994 0.000 -1.621) 10.125 21.891 ( 9.963 0.000 0.392) 9.970 21.896 ( 9.452 0.000 1.089) 9.514 22.700 ( -9.249 0.000 0.625) 9.271 22.842 ( -6.457 0.000 1.053) 6.542 22.991 ( -11.121 0.000 0.885) 11.157 23.039 ( -10.037 0.000 -1.011) 10.087 26.800 ( 14.468 0.000 -0.498) 14.476 26.838 ( 15.393 0.000 1.396) 15.457 26.975 ( 20.575 0.000 -5.197) 21.221 27.248 ( 26.534 0.000 15.834) 30.899 28.677 ( -21.656 0.000 1.489) 21.707 28.691 ( -21.730 0.000 -1.554) 21.786 29.086 ( -22.191 0.000 0.612) 22.200 29.125 ( -18.097 0.000 -2.851) 18.320 29.993 ( 17.231 0.000 -0.760) 17.248 29.996 ( 15.852 0.000 1.233) 15.900 30.266 ( 8.006 0.000 -1.884) 8.224 30.360 ( 3.495 0.000 -1.604) 3.845 30.394 ( 1.038 0.000 0.959) 1.413 30.463 ( 8.589 0.000 3.175) 9.157 30.725 ( 11.407 0.000 -8.841) 14.432 30.816 ( 6.567 0.000 15.219) 16.575 31.112 ( -8.900 0.000 -1.977) 9.117 31.306 ( -8.889 0.000 2.285) 9.178 31.365 ( -7.408 0.000 -5.376) 9.153 31.518 ( -9.652 0.000 7.733) 12.368 31.774 ( 1.591 0.000 -1.612) 2.265 31.792 ( -0.653 0.000 -0.346) 0.739 32.013 ( 1.221 0.000 -0.754) 1.434 32.316 ( 5.697 0.000 6.743) 8.828 32.425 ( 11.994 0.000 -2.524) 12.257 32.532 ( 12.222 0.000 5.442) 13.378 32.544 ( 15.019 0.000 -1.983) 15.149 32.597 ( 9.598 0.000 12.286) 15.591 33.129 ( -1.842 0.000 -3.589) 4.034 33.170 ( -1.114 0.000 3.082) 3.277 33.384 ( -4.318 0.000 0.812) 4.394 33.490 ( -5.677 0.000 7.153) 9.132 34.012 ( -5.008 0.000 -3.744) 6.253 34.143 ( -6.700 0.000 -8.584) 10.889 34.529 ( 5.586 0.000 -1.353) 5.747 34.624 ( 3.375 0.000 -2.652) 4.293 34.902 ( -2.722 0.000 4.872) 5.581 35.042 ( 3.705 0.000 -3.226) 4.913 35.101 ( -0.925 0.000 3.696) 3.810 35.172 ( 3.661 0.000 -2.334) 4.342 35.324 ( 2.046 0.000 -3.561) 4.107 35.338 ( 0.490 0.000 0.434) 0.655 35.369 ( -2.397 0.000 -0.920) 2.567 35.459 ( 0.239 0.000 -0.004) 0.239 36.604 ( 1.762 0.000 -26.649) 26.707 37.076 ( -9.163 0.000 17.596) 19.839 37.712 ( -20.344 0.000 -16.612) 26.264 37.823 ( -21.766 0.000 8.352) 23.314 ======================= Grid point 93 (46/69) ======================= q-point: ( 0.33 0.00 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 69 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.288 ( 16.581 0.000 -3.278) 16.902 1.352 ( 15.142 0.000 -9.583) 17.920 1.643 ( 5.057 0.000 -6.262) 8.049 1.752 ( 0.156 0.000 2.053) 2.059 1.895 ( 3.089 0.000 11.905) 12.300 1.946 ( 0.521 0.000 -4.793) 4.822 2.028 ( -2.295 0.000 -9.168) 9.451 2.061 ( 7.132 0.000 -5.670) 9.111 2.078 ( 8.931 0.000 -8.988) 12.670 2.219 ( 19.715 0.000 -9.699) 21.972 2.219 ( 0.991 0.000 4.714) 4.817 2.361 ( 1.016 0.000 -5.786) 5.874 2.478 ( -1.843 0.000 5.168) 5.487 2.555 ( 3.505 0.000 1.133) 3.683 2.615 ( 5.395 0.000 -6.331) 8.318 2.659 ( 8.768 0.000 -2.694) 9.172 2.671 ( 1.626 0.000 3.182) 3.574 2.748 ( 2.397 0.000 -0.310) 2.417 2.833 ( -5.783 0.000 5.141) 7.738 2.939 ( -1.043 0.000 0.065) 1.045 2.989 ( 4.282 0.000 -4.295) 6.065 3.068 ( 4.128 0.000 3.070) 5.145 3.074 ( -0.371 0.000 3.459) 3.479 3.182 ( 3.655 0.000 4.865) 6.085 3.195 ( 0.999 0.000 -0.445) 1.093 3.340 ( 3.321 0.000 9.243) 9.822 3.367 ( 8.270 0.000 -3.116) 8.838 3.419 ( 4.858 0.000 6.189) 7.868 3.445 ( -2.104 0.000 2.973) 3.642 3.516 ( 2.967 0.000 -2.969) 4.197 3.616 ( -4.585 0.000 0.255) 4.592 3.653 ( -6.906 0.000 -4.334) 8.153 3.723 ( 3.773 0.000 -2.552) 4.555 3.742 ( 1.246 0.000 -10.808) 10.879 3.832 ( 8.604 0.000 -2.112) 8.859 4.003 ( 15.737 0.000 5.211) 16.577 4.102 ( -2.110 0.000 0.373) 2.142 4.225 ( 0.559 0.000 0.384) 0.678 4.228 ( -3.825 0.000 -2.305) 4.465 4.297 ( 3.546 0.000 -1.079) 3.706 4.419 ( 2.643 0.000 3.805) 4.633 4.460 ( -3.535 0.000 -2.041) 4.082 4.482 ( 0.752 0.000 -1.288) 1.491 4.514 ( -4.946 0.000 0.254) 4.952 4.633 ( -0.579 0.000 2.305) 2.376 4.673 ( -6.972 0.000 0.481) 6.989 4.693 ( -1.139 0.000 -0.131) 1.147 4.768 ( -8.044 0.000 1.662) 8.214 4.854 ( -3.244 0.000 -4.560) 5.596 4.941 ( 0.439 0.000 -0.405) 0.597 4.950 ( -2.930 0.000 8.387) 8.884 4.989 ( -2.871 0.000 2.813) 4.020 5.156 ( -1.696 0.000 5.120) 5.394 5.192 ( -2.293 0.000 1.576) 2.783 5.255 ( 1.073 0.000 7.771) 7.844 5.295 ( 0.115 0.000 -4.639) 4.641 5.397 ( 5.323 0.000 -5.428) 7.602 5.432 ( -4.277 0.000 3.312) 5.409 5.516 ( 3.959 0.000 3.306) 5.158 5.577 ( 4.730 0.000 3.136) 5.675 5.940 ( -2.013 0.000 -1.785) 2.691 6.020 ( 0.983 0.000 -0.445) 1.079 6.046 ( 1.070 0.000 -0.796) 1.334 6.123 ( 2.393 0.000 -0.310) 2.413 6.130 ( 8.657 0.000 -0.928) 8.707 6.200 ( 5.131 0.000 -4.432) 6.780 6.216 ( -4.660 0.000 2.600) 5.337 6.376 ( 1.393 0.000 -1.097) 1.773 6.485 ( -2.088 0.000 -1.100) 2.360 6.565 ( -3.100 0.000 -0.801) 3.202 6.590 ( 0.689 0.000 -1.309) 1.479 6.663 ( -1.761 0.000 0.406) 1.807 6.822 ( 6.473 0.000 -0.051) 6.473 6.899 ( 9.164 0.000 0.106) 9.165 6.919 ( 4.857 0.000 -2.326) 5.386 7.151 ( -1.623 0.000 3.443) 3.806 7.631 ( -18.569 0.000 0.694) 18.582 7.635 ( -18.327 0.000 0.966) 18.352 7.817 ( -22.388 0.000 2.985) 22.586 8.095 ( -13.781 0.000 -1.387) 13.850 8.624 ( 2.176 0.000 -0.577) 2.251 8.696 ( -0.077 0.000 -2.147) 2.148 8.886 ( -2.016 0.000 2.233) 3.008 8.925 ( 1.031 0.000 -1.618) 1.919 9.102 ( 1.924 0.000 -3.162) 3.701 9.166 ( 2.068 0.000 0.536) 2.136 9.195 ( 2.216 0.000 1.103) 2.475 9.276 ( -1.208 0.000 1.941) 2.286 9.309 ( 2.647 0.000 1.729) 3.162 9.396 ( 8.271 0.000 -2.419) 8.617 9.499 ( 1.409 0.000 3.243) 3.536 9.555 ( 0.792 0.000 -0.416) 0.894 9.647 ( -1.802 0.000 -0.371) 1.840 9.705 ( -7.551 0.000 -2.026) 7.818 9.731 ( -7.362 0.000 0.484) 7.378 9.828 ( 0.092 0.000 -3.740) 3.741 9.854 ( -8.065 0.000 -2.362) 8.404 9.970 ( -8.408 0.000 -1.658) 8.570 10.086 ( -5.931 0.000 2.957) 6.627 10.241 ( -4.036 0.000 0.487) 4.066 10.477 ( -4.091 0.000 1.306) 4.295 10.496 ( -3.351 0.000 0.827) 3.451 10.694 ( -6.654 0.000 0.374) 6.665 10.696 ( -1.689 0.000 -0.795) 1.867 11.461 ( 2.951 0.000 -0.372) 2.974 11.488 ( 6.496 0.000 0.043) 6.496 11.519 ( 4.258 0.000 -0.546) 4.293 11.541 ( 8.251 0.000 -0.253) 8.255 11.740 ( -3.521 0.000 -1.589) 3.862 11.764 ( -1.644 0.000 1.699) 2.364 11.845 ( -3.077 0.000 1.812) 3.571 11.856 ( -2.420 0.000 0.143) 2.425 12.022 ( -1.239 0.000 1.955) 2.315 12.080 ( 3.263 0.000 -0.389) 3.286 12.168 ( 6.221 0.000 -2.069) 6.556 12.204 ( 1.298 0.000 -1.146) 1.731 12.601 ( 3.028 0.000 -0.966) 3.178 12.610 ( 3.960 0.000 0.394) 3.979 12.786 ( 1.149 0.000 0.869) 1.441 12.802 ( -2.370 0.000 -0.674) 2.464 13.137 ( 3.829 0.000 0.244) 3.836 13.164 ( 4.625 0.000 -0.611) 4.665 13.558 ( -8.341 0.000 -0.231) 8.344 13.562 ( -8.164 0.000 0.016) 8.164 13.854 ( 12.205 0.000 -0.146) 12.206 13.959 ( 7.786 0.000 1.550) 7.938 14.017 ( -0.258 0.000 -0.649) 0.698 14.058 ( -0.493 0.000 -0.185) 0.527 14.099 ( 1.313 0.000 1.107) 1.718 14.163 ( 2.789 0.000 -1.128) 3.008 14.483 ( -5.715 0.000 -1.536) 5.917 14.573 ( -3.417 0.000 0.674) 3.483 14.912 ( 5.431 0.000 -1.785) 5.717 14.943 ( 5.701 0.000 1.704) 5.950 15.221 ( 5.688 0.000 0.130) 5.689 15.222 ( -2.580 0.000 -1.237) 2.861 15.265 ( -0.812 0.000 0.195) 0.835 15.306 ( 4.393 0.000 0.071) 4.394 15.390 ( 0.331 0.000 0.003) 0.331 15.410 ( 4.377 0.000 -0.080) 4.378 15.629 ( 6.862 0.000 -1.313) 6.987 15.694 ( 10.297 0.000 0.339) 10.303 15.809 ( -0.940 0.000 1.529) 1.795 15.867 ( 5.256 0.000 4.744) 7.080 16.299 ( -0.014 0.000 -0.266) 0.266 16.343 ( 2.042 0.000 -2.382) 3.137 16.352 ( -1.536 0.000 3.674) 3.983 16.452 ( -5.104 0.000 2.285) 5.593 17.049 ( 1.524 0.000 -0.491) 1.601 17.111 ( 0.681 0.000 0.351) 0.766 17.146 ( 2.705 0.000 -1.909) 3.311 17.157 ( 0.258 0.000 1.400) 1.423 19.601 ( 6.828 0.000 -1.265) 6.944 19.696 ( 7.212 0.000 1.496) 7.366 19.844 ( 5.616 0.000 0.925) 5.692 19.941 ( 6.716 0.000 2.554) 7.185 20.218 ( -9.595 0.000 2.669) 9.959 20.277 ( -8.793 0.000 -2.537) 9.151 20.446 ( -6.631 0.000 2.161) 6.974 20.555 ( -6.292 0.000 0.304) 6.299 21.851 ( 12.066 0.000 -1.942) 12.221 21.882 ( 11.355 0.000 -0.133) 11.356 22.059 ( 10.163 0.000 0.559) 10.178 22.067 ( 12.315 0.000 -0.227) 12.317 22.556 ( -9.845 0.000 0.788) 9.877 22.711 ( -9.799 0.000 -0.990) 9.849 22.831 ( -11.643 0.000 1.871) 11.793 22.855 ( -11.450 0.000 -1.368) 11.531 27.035 ( 16.405 0.000 -0.779) 16.423 27.107 ( 16.240 0.000 1.335) 16.294 27.262 ( 22.153 0.000 -2.545) 22.299 27.774 ( 14.406 0.000 15.075) 20.852 28.354 ( -19.143 0.000 -1.551) 19.206 28.381 ( -18.825 0.000 1.959) 18.927 28.727 ( -24.415 0.000 1.911) 24.489 28.830 ( -15.140 0.000 -2.176) 15.295 30.199 ( 11.422 0.000 -1.869) 11.573 30.217 ( 11.143 0.000 0.655) 11.162 30.380 ( 4.194 0.000 0.321) 4.206 30.412 ( 0.685 0.000 -0.045) 0.687 30.464 ( 12.500 0.000 1.245) 12.562 30.628 ( 7.656 0.000 2.557) 8.072 30.831 ( 9.405 0.000 -1.434) 9.513 30.966 ( -7.665 0.000 -0.376) 7.674 31.045 ( 0.816 0.000 12.813) 12.839 31.154 ( -11.149 0.000 0.753) 11.174 31.233 ( -4.499 0.000 -1.345) 4.695 31.431 ( -13.235 0.000 8.130) 15.532 31.794 ( 2.718 0.000 -1.640) 3.175 31.832 ( 3.066 0.000 1.997) 3.659 32.088 ( 6.276 0.000 4.165) 7.532 32.476 ( 4.971 0.000 6.091) 7.862 32.564 ( 9.306 0.000 -2.836) 9.728 32.728 ( -5.628 0.000 6.759) 8.795 32.760 ( 14.928 0.000 -0.932) 14.957 32.763 ( 11.953 0.000 -0.389) 11.959 33.042 ( -2.121 0.000 -5.024) 5.453 33.200 ( -2.572 0.000 5.625) 6.185 33.342 ( -5.361 0.000 3.910) 6.635 33.443 ( -9.604 0.000 4.281) 10.515 33.978 ( 1.727 0.000 3.898) 4.263 34.029 ( 0.893 0.000 -0.493) 1.020 34.563 ( 2.916 0.000 -4.542) 5.397 34.606 ( 1.413 0.000 -6.782) 6.927 34.921 ( -2.149 0.000 5.201) 5.628 35.050 ( 2.505 0.000 -3.883) 4.620 35.130 ( -0.771 0.000 3.640) 3.721 35.204 ( 3.141 0.000 -2.024) 3.737 35.312 ( 1.548 0.000 -4.749) 4.995 35.326 ( -1.809 0.000 0.245) 1.826 35.332 ( 0.083 0.000 -2.367) 2.368 35.443 ( -0.977 0.000 -2.463) 2.650 36.444 ( 11.497 0.000 -18.457) 21.745 37.035 ( -14.749 0.000 8.403) 16.975 37.259 ( -6.528 0.000 -20.854) 21.852 37.555 ( -22.719 0.000 5.257) 23.319 ======================= Grid point 94 (47/69) ======================= q-point: ( 0.44 0.00 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 69 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.498 ( 13.241 0.000 -3.974) 13.825 1.580 ( 15.832 0.000 1.869) 15.942 1.657 ( -7.234 0.000 -1.875) 7.473 1.747 ( 7.773 0.000 1.551) 7.926 1.870 ( -8.747 0.000 -4.677) 9.919 1.883 ( -5.830 0.000 -8.501) 10.308 1.986 ( 5.730 0.000 -0.073) 5.731 2.101 ( 0.424 0.000 8.498) 8.509 2.128 ( 11.022 0.000 1.026) 11.069 2.245 ( -5.319 0.000 0.421) 5.336 2.248 ( 6.472 0.000 -5.343) 8.393 2.444 ( 7.590 0.000 -10.688) 13.109 2.458 ( -6.497 0.000 -5.774) 8.692 2.476 ( -9.448 0.000 -1.699) 9.600 2.669 ( 6.799 0.000 -2.493) 7.242 2.671 ( -0.746 0.000 0.889) 1.160 2.768 ( 6.871 0.000 4.229) 8.068 2.897 ( -1.786 0.000 7.694) 7.899 2.938 ( 10.749 0.000 5.263) 11.968 2.962 ( 7.205 0.000 -1.848) 7.438 3.035 ( 6.290 0.000 -1.310) 6.425 3.092 ( -0.941 0.000 0.423) 1.031 3.107 ( -4.394 0.000 1.863) 4.773 3.177 ( -2.713 0.000 -0.470) 2.753 3.191 ( -3.379 0.000 -3.794) 5.081 3.284 ( -4.992 0.000 -3.687) 6.206 3.447 ( -3.489 0.000 8.088) 8.809 3.491 ( -0.891 0.000 -1.379) 1.641 3.544 ( -1.685 0.000 1.119) 2.022 3.578 ( 7.148 0.000 -4.580) 8.489 3.588 ( 2.799 0.000 2.999) 4.102 3.588 ( 2.596 0.000 5.885) 6.432 3.757 ( 8.808 0.000 -2.556) 9.172 3.765 ( 3.834 0.000 0.910) 3.941 3.973 ( 5.794 0.000 2.534) 6.324 4.099 ( 1.442 0.000 2.843) 3.188 4.139 ( -4.997 0.000 3.177) 5.921 4.191 ( 1.608 0.000 1.936) 2.517 4.206 ( -0.739 0.000 -6.280) 6.323 4.332 ( 2.620 0.000 -2.578) 3.675 4.346 ( -1.325 0.000 -1.146) 1.752 4.413 ( -2.489 0.000 -6.222) 6.701 4.464 ( -1.408 0.000 -0.289) 1.437 4.521 ( -2.849 0.000 -3.608) 4.597 4.584 ( -1.991 0.000 -1.748) 2.650 4.586 ( -4.280 0.000 2.403) 4.909 4.651 ( 0.215 0.000 -0.232) 0.316 4.680 ( 1.109 0.000 -2.597) 2.824 4.832 ( -3.132 0.000 5.870) 6.653 4.930 ( -2.550 0.000 3.260) 4.139 4.950 ( 0.806 0.000 0.507) 0.952 4.990 ( -5.073 0.000 0.621) 5.111 5.160 ( -0.112 0.000 4.966) 4.967 5.270 ( 2.135 0.000 -1.804) 2.795 5.273 ( 1.210 0.000 5.367) 5.502 5.328 ( -0.019 0.000 0.786) 0.786 5.394 ( -4.936 0.000 4.591) 6.741 5.440 ( 6.644 0.000 -2.069) 6.958 5.649 ( 4.132 0.000 5.851) 7.163 5.683 ( 2.057 0.000 4.639) 5.075 5.905 ( -0.248 0.000 1.837) 1.854 5.992 ( -2.666 0.000 -1.245) 2.943 6.060 ( 4.333 0.000 -4.035) 5.921 6.102 ( -2.538 0.000 -3.761) 4.537 6.155 ( -1.681 0.000 -5.248) 5.511 6.162 ( -2.992 0.000 -0.558) 3.044 6.287 ( 9.300 0.000 -1.329) 9.394 6.383 ( -3.117 0.000 -0.642) 3.182 6.482 ( 5.160 0.000 -0.576) 5.192 6.534 ( 1.053 0.000 0.232) 1.078 6.572 ( -1.111 0.000 0.202) 1.129 6.629 ( -5.183 0.000 -0.262) 5.189 6.896 ( 5.310 0.000 0.877) 5.382 6.993 ( 1.055 0.000 -0.909) 1.392 7.038 ( 9.698 0.000 -2.002) 9.902 7.124 ( -6.999 0.000 1.110) 7.087 7.416 ( -8.773 0.000 0.652) 8.797 7.419 ( -9.136 0.000 1.468) 9.253 7.666 ( -1.935 0.000 7.267) 7.520 7.896 ( -9.682 0.000 -1.197) 9.756 8.639 ( 1.140 0.000 -0.987) 1.508 8.669 ( -0.166 0.000 -2.316) 2.322 8.876 ( -2.404 0.000 2.340) 3.355 8.921 ( 1.331 0.000 -2.087) 2.475 9.124 ( 4.208 0.000 -1.119) 4.354 9.178 ( -1.398 0.000 0.230) 1.417 9.241 ( 2.694 0.000 0.169) 2.699 9.262 ( -3.062 0.000 1.413) 3.372 9.354 ( -0.455 0.000 3.384) 3.414 9.462 ( 6.473 0.000 -5.361) 8.404 9.487 ( -6.105 0.000 3.403) 6.989 9.555 ( 1.639 0.000 -1.427) 2.173 9.579 ( -4.925 0.000 -1.625) 5.186 9.581 ( -5.300 0.000 0.926) 5.380 9.725 ( 2.900 0.000 -0.092) 2.901 9.757 ( -3.871 0.000 -0.956) 3.988 9.823 ( 4.948 0.000 -3.901) 6.301 9.859 ( -2.495 0.000 -0.981) 2.681 10.047 ( -1.924 0.000 1.765) 2.611 10.151 ( -5.832 0.000 -1.845) 6.117 10.442 ( -2.031 0.000 1.044) 2.284 10.461 ( -1.424 0.000 -0.095) 1.428 10.646 ( -1.165 0.000 1.285) 1.735 10.674 ( -0.440 0.000 -0.589) 0.736 11.494 ( 1.244 0.000 0.464) 1.328 11.525 ( 0.534 0.000 -0.764) 0.932 11.599 ( 4.524 0.000 0.351) 4.537 11.631 ( 2.758 0.000 -0.212) 2.766 11.706 ( 0.636 0.000 -0.116) 0.646 11.755 ( -1.744 0.000 1.593) 2.362 11.807 ( -2.645 0.000 -0.200) 2.652 11.826 ( -1.895 0.000 0.207) 1.906 12.006 ( -2.182 0.000 1.982) 2.947 12.091 ( 0.857 0.000 -2.838) 2.965 12.232 ( 3.595 0.000 -0.900) 3.706 12.234 ( 2.014 0.000 0.131) 2.018 12.627 ( 1.972 0.000 -0.701) 2.093 12.653 ( 0.884 0.000 -0.556) 1.044 12.762 ( -1.067 0.000 0.190) 1.083 12.788 ( -1.632 0.000 0.317) 1.663 13.211 ( 4.423 0.000 0.173) 4.427 13.230 ( 3.507 0.000 -0.449) 3.536 13.447 ( -5.170 0.000 0.108) 5.171 13.454 ( -4.556 0.000 -0.490) 4.582 13.958 ( 1.772 0.000 -0.034) 1.772 13.978 ( -0.051 0.000 -0.989) 0.990 14.041 ( 1.001 0.000 0.442) 1.095 14.064 ( 0.595 0.000 -0.311) 0.671 14.224 ( 8.602 0.000 1.875) 8.804 14.226 ( 7.340 0.000 -1.755) 7.547 14.365 ( -7.100 0.000 0.133) 7.101 14.476 ( -8.054 0.000 -1.464) 8.186 14.978 ( 5.700 0.000 -0.376) 5.712 15.004 ( 1.161 0.000 0.726) 1.369 15.146 ( -4.113 0.000 0.287) 4.123 15.194 ( -4.798 0.000 -0.765) 4.858 15.317 ( 4.899 0.000 -0.792) 4.962 15.352 ( -0.939 0.000 -0.133) 0.949 15.409 ( 3.729 0.000 -0.136) 3.732 15.440 ( -0.839 0.000 0.343) 0.907 15.748 ( 6.020 0.000 0.867) 6.082 15.819 ( 0.667 0.000 -0.678) 0.950 15.848 ( 7.763 0.000 1.324) 7.875 15.934 ( -1.251 0.000 1.536) 1.981 16.286 ( -0.095 0.000 0.258) 0.275 16.354 ( -3.179 0.000 3.125) 4.457 16.359 ( -6.720 0.000 -0.126) 6.721 16.367 ( 3.979 0.000 -1.820) 4.376 17.066 ( 1.142 0.000 -0.247) 1.168 17.100 ( -0.860 0.000 -1.159) 1.443 17.170 ( -0.523 0.000 1.326) 1.426 17.180 ( 2.430 0.000 -0.640) 2.513 19.717 ( 8.477 0.000 -0.080) 8.477 19.803 ( 3.361 0.000 -0.386) 3.383 19.917 ( 2.363 0.000 0.741) 2.476 20.001 ( -2.578 0.000 -0.284) 2.593 20.122 ( -5.695 0.000 3.517) 6.694 20.159 ( -2.490 0.000 -1.059) 2.706 20.396 ( -2.635 0.000 2.963) 3.965 20.475 ( -3.149 0.000 -0.560) 3.199 22.009 ( 8.510 0.000 -0.964) 8.564 22.025 ( 4.855 0.000 0.365) 4.869 22.213 ( 8.094 0.000 0.901) 8.144 22.245 ( 9.384 0.000 -0.182) 9.386 22.438 ( -5.148 0.000 0.684) 5.193 22.543 ( -9.002 0.000 -2.259) 9.281 22.685 ( -8.281 0.000 1.584) 8.431 22.691 ( -6.231 0.000 -0.729) 6.273 27.260 ( 11.861 0.000 -0.307) 11.865 27.312 ( 6.352 0.000 0.477) 6.370 27.590 ( 20.671 0.000 1.057) 20.698 27.912 ( -9.084 0.000 0.655) 9.108 28.113 ( -7.336 0.000 -1.208) 7.435 28.148 ( -13.541 0.000 1.102) 13.586 28.498 ( -7.267 0.000 7.171) 10.210 28.639 ( -6.597 0.000 -1.175) 6.701 30.316 ( 6.123 0.000 -1.240) 6.247 30.333 ( 2.020 0.000 0.438) 2.067 30.418 ( 0.642 0.000 -0.187) 0.669 30.420 ( 1.384 0.000 -0.697) 1.549 30.695 ( 12.123 0.000 2.374) 12.353 30.737 ( 3.084 0.000 1.367) 3.373 30.872 ( -3.558 0.000 1.075) 3.717 30.955 ( 2.380 0.000 4.796) 5.354 30.991 ( -7.758 0.000 -1.671) 7.936 31.113 ( -2.843 0.000 1.975) 3.462 31.238 ( 6.987 0.000 0.680) 7.020 31.310 ( -14.927 0.000 9.559) 17.725 31.823 ( 2.780 0.000 -0.334) 2.800 31.870 ( -1.792 0.000 1.702) 2.471 32.286 ( 10.324 0.000 7.441) 12.726 32.572 ( -4.180 0.000 5.542) 6.942 32.609 ( -4.392 0.000 -5.117) 6.743 32.625 ( 2.334 0.000 -3.167) 3.935 32.906 ( 4.457 0.000 0.336) 4.470 32.950 ( 6.493 0.000 -2.337) 6.900 33.012 ( 8.101 0.000 -0.641) 8.126 33.174 ( -6.646 0.000 1.422) 6.796 33.296 ( -4.574 0.000 2.466) 5.196 33.308 ( -8.488 0.000 1.700) 8.656 34.126 ( 4.414 0.000 11.172) 12.013 34.150 ( 5.765 0.000 8.995) 10.683 34.508 ( -0.571 0.000 -9.057) 9.075 34.535 ( 0.819 0.000 -8.625) 8.664 34.950 ( -1.478 0.000 5.036) 5.248 35.041 ( 1.656 0.000 -3.289) 3.682 35.154 ( -1.211 0.000 3.385) 3.595 35.213 ( 1.598 0.000 -2.650) 3.095 35.267 ( -0.472 0.000 -4.051) 4.079 35.298 ( 0.192 0.000 -4.234) 4.238 35.315 ( -0.744 0.000 0.332) 0.815 35.386 ( -0.299 0.000 -4.180) 4.191 36.553 ( 19.762 0.000 -6.971) 20.956 36.817 ( -19.888 0.000 1.284) 19.929 37.126 ( 12.348 0.000 -11.859) 17.120 37.248 ( -21.893 0.000 2.118) 21.996 ======================= Grid point 95 (48/69) ======================= q-point: (-0.44 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 69 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.458 ( -14.885 0.000 0.308) 14.889 1.591 ( -13.632 0.000 -2.103) 13.793 1.663 ( 5.021 0.000 -1.626) 5.278 1.758 ( -6.935 0.000 -0.320) 6.943 1.765 ( 7.156 0.000 1.506) 7.313 1.828 ( 1.162 0.000 -1.969) 2.287 2.057 ( -7.918 0.000 -4.426) 9.071 2.128 ( -16.373 0.000 2.551) 16.570 2.162 ( 11.069 0.000 5.429) 12.329 2.264 ( -5.713 0.000 4.869) 7.506 2.276 ( -9.158 0.000 -10.244) 13.741 2.330 ( 6.669 0.000 1.106) 6.760 2.376 ( 4.958 0.000 -9.358) 10.590 2.455 ( 17.481 0.000 3.186) 17.769 2.646 ( -4.536 0.000 -0.413) 4.555 2.716 ( 1.655 0.000 -3.296) 3.688 2.872 ( -10.929 0.000 -1.442) 11.023 2.892 ( 1.140 0.000 2.642) 2.877 2.962 ( -7.198 0.000 1.746) 7.407 2.990 ( -1.522 0.000 2.464) 2.896 3.004 ( -3.610 0.000 -0.699) 3.677 3.072 ( -3.511 0.000 6.179) 7.107 3.121 ( 2.344 0.000 0.222) 2.355 3.130 ( -5.025 0.000 -7.793) 9.272 3.192 ( 4.651 0.000 2.563) 5.311 3.254 ( 7.584 0.000 -1.755) 7.785 3.436 ( -7.057 0.000 7.887) 10.583 3.454 ( -5.140 0.000 2.041) 5.530 3.537 ( 2.196 0.000 -2.696) 3.478 3.548 ( -6.583 0.000 1.274) 6.705 3.634 ( -1.565 0.000 -1.328) 2.052 3.697 ( 10.595 0.000 -2.476) 10.880 3.786 ( -2.365 0.000 -2.419) 3.383 3.828 ( -0.244 0.000 -3.850) 3.857 4.040 ( -1.225 0.000 6.254) 6.373 4.064 ( -3.805 0.000 -5.010) 6.291 4.184 ( 0.199 0.000 2.467) 2.475 4.215 ( 4.300 0.000 2.524) 4.986 4.219 ( -3.668 0.000 -8.157) 8.944 4.269 ( 0.254 0.000 -0.054) 0.259 4.304 ( 2.605 0.000 3.474) 4.342 4.352 ( -0.631 0.000 -3.206) 3.268 4.445 ( 1.019 0.000 0.250) 1.049 4.448 ( 3.183 0.000 1.151) 3.385 4.552 ( -5.444 0.000 2.285) 5.904 4.581 ( -2.347 0.000 1.659) 2.874 4.678 ( 2.577 0.000 -2.592) 3.655 4.692 ( 5.092 0.000 -2.794) 5.808 4.868 ( -1.308 0.000 6.739) 6.865 4.911 ( -2.489 0.000 1.696) 3.012 4.969 ( 3.740 0.000 -2.305) 4.393 5.005 ( 5.906 0.000 0.356) 5.917 5.201 ( -2.390 0.000 4.912) 5.462 5.258 ( -0.514 0.000 -3.359) 3.398 5.291 ( -3.800 0.000 2.456) 4.525 5.343 ( 2.625 0.000 -2.172) 3.406 5.410 ( 0.224 0.000 2.882) 2.891 5.494 ( 4.555 0.000 -4.187) 6.187 5.716 ( -2.750 0.000 1.108) 2.965 5.735 ( 0.638 0.000 1.428) 1.564 5.940 ( -4.326 0.000 2.618) 5.056 5.964 ( 0.544 0.000 4.062) 4.099 5.998 ( -2.126 0.000 -5.809) 6.185 6.045 ( 1.407 0.000 -2.374) 2.760 6.121 ( -1.570 0.000 0.174) 1.580 6.144 ( 3.692 0.000 0.652) 3.749 6.269 ( -9.409 0.000 -0.292) 9.413 6.372 ( 3.660 0.000 -0.098) 3.661 6.484 ( -8.941 0.000 -0.978) 8.994 6.537 ( 0.533 0.000 0.067) 0.537 6.591 ( 2.935 0.000 -0.968) 3.091 6.618 ( 5.785 0.000 0.674) 5.824 6.919 ( -4.735 0.000 -1.284) 4.906 6.973 ( -0.221 0.000 1.103) 1.125 6.992 ( -11.876 0.000 2.205) 12.079 7.135 ( 4.910 0.000 0.169) 4.913 7.422 ( 8.862 0.000 0.234) 8.865 7.437 ( 9.605 0.000 -0.199) 9.607 7.793 ( 2.040 0.000 -4.755) 5.174 7.827 ( 9.740 0.000 5.683) 11.276 8.644 ( -0.127 0.000 -1.596) 1.601 8.648 ( 1.181 0.000 -0.381) 1.240 8.871 ( -1.949 0.000 2.932) 3.520 8.923 ( 1.882 0.000 -2.159) 2.864 9.127 ( -3.825 0.000 -1.120) 3.985 9.179 ( 2.332 0.000 -0.589) 2.405 9.223 ( -3.756 0.000 1.618) 4.090 9.279 ( 2.109 0.000 -0.201) 2.118 9.348 ( -4.724 0.000 5.494) 7.246 9.442 ( -1.738 0.000 -4.999) 5.293 9.493 ( 0.178 0.000 3.497) 3.501 9.557 ( 6.599 0.000 -2.588) 7.088 9.576 ( 5.010 0.000 0.090) 5.011 9.594 ( 4.464 0.000 -1.249) 4.635 9.719 ( -0.941 0.000 1.527) 1.794 9.747 ( 0.473 0.000 0.017) 0.474 9.787 ( -5.308 0.000 -1.665) 5.563 9.878 ( 5.405 0.000 -2.773) 6.074 10.073 ( -0.068 0.000 -1.028) 1.030 10.107 ( 5.806 0.000 2.429) 6.293 10.449 ( 1.376 0.000 1.186) 1.817 10.458 ( 1.502 0.000 -0.436) 1.564 10.661 ( 1.049 0.000 0.690) 1.256 10.669 ( 1.272 0.000 -0.975) 1.602 11.505 ( -1.857 0.000 -0.677) 1.976 11.507 ( -0.582 0.000 0.846) 1.026 11.606 ( -4.722 0.000 -0.379) 4.737 11.624 ( -2.759 0.000 0.482) 2.801 11.716 ( -2.229 0.000 -0.881) 2.397 11.753 ( 3.650 0.000 1.316) 3.880 11.815 ( 1.619 0.000 -0.843) 1.825 11.818 ( 2.290 0.000 1.018) 2.506 12.011 ( -2.103 0.000 4.195) 4.693 12.062 ( 0.138 0.000 -2.898) 2.902 12.238 ( -1.111 0.000 -1.084) 1.552 12.244 ( -0.737 0.000 -0.943) 1.197 12.620 ( -3.325 0.000 -0.056) 3.326 12.642 ( -0.521 0.000 0.385) 0.648 12.769 ( 0.225 0.000 -0.412) 0.469 12.789 ( 2.827 0.000 0.205) 2.835 13.217 ( -4.096 0.000 -0.462) 4.122 13.222 ( -3.789 0.000 0.358) 3.805 13.447 ( 5.035 0.000 0.223) 5.040 13.452 ( 4.732 0.000 -0.354) 4.745 13.959 ( -1.050 0.000 0.725) 1.276 13.962 ( -1.664 0.000 -0.520) 1.744 14.053 ( -0.942 0.000 -0.748) 1.202 14.057 ( 0.085 0.000 0.300) 0.312 14.194 ( -8.734 0.000 1.345) 8.837 14.257 ( -6.007 0.000 -1.358) 6.158 14.384 ( 3.849 0.000 -1.846) 4.268 14.441 ( 9.881 0.000 1.841) 10.051 14.979 ( -4.926 0.000 -0.271) 4.933 15.021 ( -0.602 0.000 -0.900) 1.083 15.153 ( 1.532 0.000 -0.474) 1.604 15.169 ( 5.663 0.000 1.630) 5.893 15.308 ( -4.328 0.000 -0.024) 4.328 15.352 ( 0.016 0.000 -0.112) 0.113 15.408 ( -2.635 0.000 -0.115) 2.637 15.446 ( 0.514 0.000 -0.190) 0.548 15.771 ( -6.065 0.000 -1.269) 6.196 15.799 ( -0.277 0.000 1.215) 1.246 15.872 ( -6.940 0.000 -0.929) 7.001 15.949 ( 3.702 0.000 0.407) 3.725 16.289 ( -1.988 0.000 0.440) 2.036 16.330 ( -2.821 0.000 1.330) 3.118 16.343 ( 6.552 0.000 1.382) 6.697 16.409 ( 3.701 0.000 -2.015) 4.214 17.069 ( -1.598 0.000 -0.587) 1.702 17.078 ( 0.014 0.000 0.747) 0.747 17.168 ( -1.322 0.000 0.643) 1.470 17.196 ( 0.948 0.000 -1.145) 1.487 19.732 ( -7.972 0.000 -1.332) 8.082 19.803 ( -0.682 0.000 -0.361) 0.772 19.929 ( -2.113 0.000 -0.632) 2.205 19.988 ( 2.854 0.000 1.001) 3.025 20.101 ( -2.215 0.000 4.253) 4.795 20.160 ( 2.927 0.000 0.069) 2.928 20.446 ( 4.938 0.000 2.016) 5.333 20.460 ( 3.454 0.000 -2.651) 4.354 21.998 ( -7.908 0.000 0.054) 7.908 22.034 ( -4.646 0.000 -0.569) 4.680 22.230 ( -8.981 0.000 -0.730) 9.010 22.238 ( -9.198 0.000 0.684) 9.224 22.468 ( 6.006 0.000 -2.287) 6.426 22.500 ( 9.175 0.000 1.877) 9.366 22.670 ( 4.865 0.000 1.275) 5.029 22.708 ( 8.517 0.000 -0.638) 8.541 27.258 ( -11.992 0.000 -0.127) 11.992 27.316 ( -6.080 0.000 0.125) 6.082 27.619 ( -23.043 0.000 -1.747) 23.109 27.880 ( 11.883 0.000 3.670) 12.437 28.094 ( 7.180 0.000 0.688) 7.213 28.165 ( 13.801 0.000 -0.596) 13.813 28.587 ( 7.172 0.000 4.033) 8.228 28.614 ( 7.273 0.000 -3.514) 8.077 30.297 ( -6.272 0.000 0.552) 6.297 30.348 ( -2.121 0.000 -1.084) 2.381 30.401 ( -1.609 0.000 1.123) 1.962 30.420 ( -1.442 0.000 -0.397) 1.496 30.712 ( -9.459 0.000 0.409) 9.468 30.750 ( -4.459 0.000 0.197) 4.464 30.905 ( 1.426 0.000 -2.178) 2.604 30.956 ( 9.162 0.000 1.920) 9.361 31.041 ( -7.369 0.000 -3.047) 7.974 31.074 ( 7.674 0.000 4.808) 9.056 31.206 ( -6.124 0.000 4.882) 7.832 31.415 ( 12.203 0.000 0.594) 12.217 31.828 ( -3.339 0.000 -0.480) 3.374 31.884 ( 4.178 0.000 1.700) 4.511 32.392 ( -12.483 0.000 -2.542) 12.739 32.525 ( 6.203 0.000 3.596) 7.170 32.592 ( 0.927 0.000 1.360) 1.646 32.593 ( -2.548 0.000 -0.060) 2.548 32.905 ( -4.856 0.000 1.030) 4.964 32.951 ( -0.850 0.000 -3.186) 3.297 33.016 ( -10.105 0.000 -0.901) 10.145 33.174 ( 7.363 0.000 2.363) 7.733 33.316 ( 4.889 0.000 1.185) 5.030 33.319 ( 7.908 0.000 0.183) 7.910 34.313 ( 2.555 0.000 11.292) 11.578 34.329 ( 3.452 0.000 8.992) 9.632 34.359 ( -3.298 0.000 -12.278) 12.713 34.421 ( -0.321 0.000 -13.548) 13.552 34.984 ( -0.637 0.000 3.511) 3.568 35.029 ( 1.328 0.000 -3.007) 3.287 35.170 ( -1.623 0.000 3.338) 3.711 35.210 ( 1.162 0.000 -1.633) 2.005 35.217 ( -1.643 0.000 -0.815) 1.834 35.246 ( -0.424 0.000 -3.483) 3.509 35.309 ( -1.405 0.000 2.036) 2.474 35.361 ( 1.518 0.000 -2.728) 3.122 36.481 ( -23.136 0.000 -0.236) 23.138 36.843 ( 21.927 0.000 -1.410) 21.972 36.954 ( -18.980 0.000 3.653) 19.328 37.316 ( 21.854 0.000 -4.669) 22.347 ======================= Grid point 96 (49/69) ======================= q-point: (-0.33 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 69 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.220 ( -18.254 0.000 3.254) 18.542 1.277 ( -23.250 0.000 -0.706) 23.261 1.557 ( -12.305 0.000 1.422) 12.387 1.759 ( -2.683 0.000 1.156) 2.921 1.803 ( -3.253 0.000 5.837) 6.682 1.876 ( -1.858 0.000 6.163) 6.437 1.903 ( -3.881 0.000 -0.660) 3.937 1.949 ( -13.961 0.000 4.075) 14.544 2.031 ( -12.666 0.000 2.087) 12.837 2.204 ( -0.325 0.000 -13.487) 13.491 2.276 ( -3.397 0.000 6.028) 6.919 2.335 ( 4.820 0.000 -0.341) 4.832 2.538 ( 7.503 0.000 -0.789) 7.544 2.549 ( -5.541 0.000 -0.044) 5.541 2.602 ( 0.068 0.000 -5.731) 5.732 2.641 ( -10.927 0.000 -1.955) 11.100 2.724 ( 6.098 0.000 -1.486) 6.277 2.844 ( -2.719 0.000 3.196) 4.196 2.852 ( -3.302 0.000 -6.739) 7.504 2.944 ( -8.667 0.000 -2.628) 9.056 2.965 ( 0.340 0.000 -2.576) 2.598 3.058 ( 0.505 0.000 4.768) 4.794 3.101 ( -3.769 0.000 -0.380) 3.788 3.137 ( -4.826 0.000 9.364) 10.534 3.272 ( -0.052 0.000 -7.136) 7.136 3.277 ( -2.510 0.000 4.565) 5.209 3.375 ( -8.230 0.000 4.778) 9.517 3.465 ( 0.072 0.000 8.694) 8.694 3.490 ( -3.833 0.000 4.955) 6.264 3.519 ( 0.975 0.000 -3.375) 3.513 3.570 ( 0.253 0.000 -4.143) 4.151 3.657 ( -5.608 0.000 -8.947) 10.560 3.716 ( -4.156 0.000 -3.888) 5.692 3.783 ( 6.386 0.000 -10.367) 12.176 3.922 ( -5.058 0.000 -7.437) 8.994 4.049 ( -4.322 0.000 5.337) 6.867 4.128 ( -6.124 0.000 -3.225) 6.922 4.163 ( -4.921 0.000 3.312) 5.932 4.228 ( 1.560 0.000 -3.384) 3.726 4.256 ( -1.899 0.000 3.910) 4.347 4.328 ( 2.023 0.000 6.853) 7.145 4.461 ( 2.398 0.000 2.300) 3.323 4.488 ( -2.821 0.000 -0.907) 2.963 4.523 ( 6.052 0.000 -3.220) 6.855 4.569 ( 3.787 0.000 10.244) 10.922 4.654 ( 9.134 0.000 5.538) 10.681 4.688 ( 2.322 0.000 -1.788) 2.930 4.721 ( 4.688 0.000 -4.553) 6.535 4.920 ( 1.577 0.000 -1.668) 2.295 4.938 ( 2.540 0.000 3.530) 4.349 4.978 ( 1.182 0.000 -4.817) 4.960 5.116 ( 6.730 0.000 0.332) 6.738 5.191 ( -1.593 0.000 -4.919) 5.171 5.208 ( -2.198 0.000 4.358) 4.881 5.258 ( -5.329 0.000 5.593) 7.725 5.318 ( 0.104 0.000 -6.518) 6.518 5.415 ( 1.982 0.000 -5.152) 5.520 5.508 ( 3.487 0.000 -4.107) 5.388 5.614 ( -6.626 0.000 -4.820) 8.194 5.674 ( -4.499 0.000 -5.447) 7.065 5.913 ( 0.168 0.000 0.894) 0.910 5.977 ( -1.335 0.000 4.557) 4.748 5.990 ( -0.697 0.000 2.881) 2.964 6.091 ( 0.649 0.000 2.767) 2.842 6.110 ( -7.148 0.000 0.744) 7.186 6.125 ( -4.908 0.000 2.752) 5.627 6.229 ( 5.452 0.000 1.311) 5.607 6.348 ( -7.526 0.000 0.895) 7.579 6.436 ( 3.165 0.000 2.983) 4.349 6.549 ( 2.489 0.000 -0.033) 2.490 6.601 ( 0.343 0.000 -2.119) 2.146 6.679 ( 1.547 0.000 -0.782) 1.733 6.819 ( -10.378 0.000 0.912) 10.418 6.891 ( -0.483 0.000 0.121) 0.498 6.907 ( -7.283 0.000 -0.504) 7.301 7.175 ( -0.515 0.000 0.915) 1.050 7.646 ( 17.092 0.000 -0.640) 17.103 7.655 ( 19.477 0.000 -0.672) 19.489 7.902 ( 19.233 0.000 -5.149) 19.910 8.046 ( 11.908 0.000 3.621) 12.446 8.626 ( -0.779 0.000 -0.887) 1.181 8.667 ( 1.193 0.000 0.436) 1.270 8.881 ( -1.090 0.000 2.976) 3.169 8.926 ( 1.285 0.000 -1.820) 2.228 9.066 ( -2.567 0.000 0.004) 2.567 9.162 ( -3.257 0.000 0.288) 3.270 9.188 ( -3.109 0.000 1.600) 3.496 9.301 ( 0.696 0.000 -0.501) 0.858 9.340 ( -3.885 0.000 3.011) 4.915 9.372 ( -0.884 0.000 -4.025) 4.121 9.521 ( -1.430 0.000 2.871) 3.208 9.559 ( -6.107 0.000 -1.037) 6.194 9.641 ( 0.934 0.000 0.546) 1.082 9.679 ( 5.772 0.000 -3.287) 6.642 9.755 ( 3.818 0.000 2.818) 4.746 9.795 ( 11.824 0.000 -3.474) 12.323 9.795 ( 7.232 0.000 3.229) 7.920 9.958 ( 9.037 0.000 -0.760) 9.069 10.123 ( 5.870 0.000 -0.494) 5.891 10.227 ( 5.489 0.000 1.744) 5.760 10.496 ( 3.914 0.000 -0.524) 3.949 10.504 ( 4.389 0.000 0.315) 4.401 10.684 ( 1.459 0.000 0.176) 1.470 10.708 ( 5.587 0.000 -0.805) 5.645 11.457 ( -3.909 0.000 0.040) 3.909 11.489 ( -4.507 0.000 0.103) 4.508 11.503 ( -6.020 0.000 0.468) 6.039 11.534 ( -8.689 0.000 0.401) 8.698 11.714 ( 2.172 0.000 0.855) 2.334 11.798 ( 1.757 0.000 -1.252) 2.157 11.855 ( 1.399 0.000 0.321) 1.435 11.864 ( 4.452 0.000 -0.266) 4.460 12.021 ( -3.582 0.000 4.938) 6.101 12.049 ( 1.054 0.000 -1.007) 1.457 12.178 ( -3.741 0.000 -2.690) 4.608 12.204 ( -2.174 0.000 -0.886) 2.348 12.576 ( -3.134 0.000 1.306) 3.395 12.612 ( -3.514 0.000 0.165) 3.518 12.791 ( 1.965 0.000 0.375) 2.000 12.808 ( -0.589 0.000 -1.089) 1.238 13.146 ( -3.339 0.000 -0.629) 3.398 13.152 ( -4.758 0.000 0.562) 4.791 13.554 ( 7.865 0.000 0.190) 7.867 13.561 ( 8.710 0.000 0.032) 8.710 13.851 ( -13.097 0.000 0.077) 13.097 13.954 ( -1.997 0.000 1.879) 2.742 14.020 ( -2.396 0.000 -0.973) 2.586 14.055 ( 1.020 0.000 0.150) 1.031 14.132 ( -4.168 0.000 -1.889) 4.576 14.139 ( -0.880 0.000 1.176) 1.469 14.461 ( 4.951 0.000 0.342) 4.963 14.578 ( 5.138 0.000 0.152) 5.140 14.889 ( -6.287 0.000 0.420) 6.301 14.977 ( -3.813 0.000 -1.440) 4.076 15.190 ( 0.535 0.000 1.506) 1.598 15.221 ( -4.998 0.000 -0.002) 4.998 15.261 ( 0.885 0.000 0.453) 0.994 15.303 ( -4.432 0.000 0.440) 4.454 15.396 ( 0.385 0.000 -0.536) 0.660 15.416 ( -2.929 0.000 -0.520) 2.975 15.627 ( -9.019 0.000 -0.893) 9.063 15.717 ( -10.176 0.000 -1.615) 10.303 15.817 ( 2.559 0.000 0.745) 2.665 15.961 ( -0.671 0.000 -3.361) 3.427 16.293 ( -0.771 0.000 2.285) 2.411 16.302 ( -1.248 0.000 -0.428) 1.319 16.413 ( 0.086 0.000 -1.603) 1.605 16.495 ( 10.227 0.000 -1.467) 10.332 17.044 ( -1.197 0.000 -0.041) 1.197 17.084 ( -0.945 0.000 1.832) 2.062 17.141 ( -2.229 0.000 -0.397) 2.264 17.188 ( -0.081 0.000 -1.405) 1.408 19.597 ( -7.215 0.000 -0.667) 7.246 19.723 ( -5.460 0.000 -1.232) 5.597 19.862 ( -6.620 0.000 -0.493) 6.638 19.970 ( -5.350 0.000 0.317) 5.359 20.200 ( 7.267 0.000 4.508) 8.551 20.254 ( 8.406 0.000 -0.777) 8.441 20.509 ( 6.620 0.000 -3.288) 7.391 20.560 ( 7.114 0.000 0.288) 7.120 21.828 ( -12.474 0.000 -0.058) 12.474 21.887 ( -11.946 0.000 -0.617) 11.962 22.058 ( -12.425 0.000 0.632) 12.441 22.065 ( -10.826 0.000 0.020) 10.826 22.592 ( 11.473 0.000 -2.569) 11.757 22.675 ( 9.959 0.000 2.353) 10.233 22.818 ( 10.109 0.000 2.193) 10.344 22.865 ( 11.504 0.000 -1.328) 11.580 27.026 ( -16.232 0.000 0.128) 16.233 27.121 ( -16.678 0.000 -0.017) 16.678 27.246 ( -22.721 0.000 -0.586) 22.728 27.993 ( 0.593 0.000 -3.658) 3.706 28.327 ( 19.240 0.000 1.041) 19.268 28.420 ( 18.894 0.000 -1.522) 18.955 28.780 ( 13.344 0.000 2.498) 13.576 28.794 ( 20.726 0.000 -4.288) 21.165 30.166 ( -11.681 0.000 1.181) 11.741 30.225 ( -11.296 0.000 -0.268) 11.299 30.377 ( -3.499 0.000 0.269) 3.509 30.406 ( -0.072 0.000 0.616) 0.620 30.503 ( -14.270 0.000 -1.948) 14.402 30.660 ( -6.575 0.000 -0.395) 6.587 30.809 ( -17.394 0.000 1.201) 17.435 30.975 ( 6.997 0.000 -1.207) 7.100 31.128 ( 10.680 0.000 0.976) 10.724 31.236 ( 5.265 0.000 -0.818) 5.328 31.239 ( 9.681 0.000 -2.321) 9.956 31.581 ( 11.268 0.000 -3.247) 11.726 31.782 ( -2.008 0.000 -0.207) 2.018 31.947 ( 3.661 0.000 -6.130) 7.140 32.175 ( -10.086 0.000 -3.767) 10.766 32.479 ( -6.914 0.000 2.975) 7.526 32.509 ( -9.477 0.000 2.209) 9.731 32.724 ( -1.334 0.000 2.543) 2.872 32.740 ( -15.003 0.000 0.974) 15.035 32.878 ( 2.987 0.000 -4.927) 5.762 32.973 ( 1.871 0.000 1.237) 2.243 33.323 ( 11.618 0.000 -2.753) 11.939 33.413 ( 7.073 0.000 -1.816) 7.303 33.488 ( 11.746 0.000 -0.737) 11.769 34.146 ( -5.238 0.000 -12.626) 13.670 34.207 ( -3.853 0.000 -18.663) 19.057 34.437 ( -0.438 0.000 8.155) 8.167 34.450 ( 0.783 0.000 7.160) 7.203 34.993 ( -1.560 0.000 0.885) 1.794 35.015 ( 1.657 0.000 -3.636) 3.996 35.163 ( -2.115 0.000 1.422) 2.549 35.188 ( -0.124 0.000 -2.934) 2.937 35.233 ( -1.560 0.000 7.037) 7.208 35.240 ( 0.019 0.000 1.843) 1.843 35.343 ( 0.387 0.000 6.643) 6.654 35.357 ( 1.285 0.000 -2.114) 2.474 36.153 ( -22.519 0.000 7.607) 23.769 36.820 ( -9.729 0.000 17.730) 20.224 37.147 ( 19.219 0.000 -2.821) 19.424 37.636 ( 23.788 0.000 -3.150) 23.996 ======================= Grid point 97 (50/69) ======================= q-point: (-0.22 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 69 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.953 ( -20.135 0.000 8.014) 21.671 0.980 ( -21.497 0.000 9.695) 23.582 1.420 ( -20.539 0.000 13.306) 24.472 1.587 ( -23.329 0.000 6.832) 24.309 1.730 ( -7.122 0.000 4.517) 8.434 1.763 ( -18.457 0.000 3.945) 18.874 1.884 ( 0.459 0.000 5.645) 5.663 1.897 ( -1.672 0.000 0.305) 1.700 2.004 ( -1.132 0.000 8.489) 8.564 2.081 ( 2.401 0.000 -9.320) 9.624 2.273 ( -1.300 0.000 -7.142) 7.260 2.363 ( 4.032 0.000 8.711) 9.599 2.455 ( -11.232 0.000 3.836) 11.869 2.543 ( -0.394 0.000 -4.458) 4.475 2.561 ( 3.380 0.000 -2.734) 4.348 2.584 ( 3.472 0.000 -2.390) 4.215 2.750 ( 1.127 0.000 -7.644) 7.727 2.754 ( -2.002 0.000 -2.970) 3.582 2.846 ( -3.849 0.000 -0.165) 3.852 2.865 ( -2.156 0.000 5.972) 6.349 2.972 ( 3.117 0.000 1.299) 3.377 3.022 ( -4.294 0.000 -1.118) 4.437 3.060 ( -2.506 0.000 0.058) 2.507 3.144 ( -2.306 0.000 4.495) 5.052 3.195 ( -1.825 0.000 -1.253) 2.214 3.200 ( -7.263 0.000 1.133) 7.351 3.277 ( -8.304 0.000 -1.055) 8.371 3.425 ( -6.091 0.000 -8.197) 10.212 3.468 ( -2.382 0.000 -8.392) 8.724 3.559 ( 2.442 0.000 0.682) 2.535 3.595 ( -0.188 0.000 7.088) 7.090 3.598 ( 0.353 0.000 10.852) 10.858 3.686 ( 0.847 0.000 4.655) 4.731 3.735 ( 0.507 0.000 -3.670) 3.705 3.820 ( 3.358 0.000 -6.791) 7.576 3.838 ( -8.232 0.000 -8.889) 12.116 4.121 ( 0.182 0.000 1.535) 1.545 4.152 ( -4.317 0.000 7.623) 8.761 4.241 ( 1.580 0.000 -1.643) 2.280 4.243 ( -3.968 0.000 1.675) 4.307 4.441 ( 0.238 0.000 -3.498) 3.506 4.446 ( -2.499 0.000 1.443) 2.886 4.509 ( 4.451 0.000 2.755) 5.235 4.604 ( 4.194 0.000 -2.826) 5.057 4.634 ( 1.177 0.000 2.432) 2.701 4.664 ( -1.226 0.000 -3.550) 3.756 4.823 ( 3.670 0.000 10.627) 11.243 4.852 ( -5.040 0.000 -2.512) 5.631 4.873 ( 9.713 0.000 -4.709) 10.794 4.937 ( 1.041 0.000 -0.935) 1.400 5.022 ( 2.690 0.000 0.197) 2.697 5.086 ( 1.678 0.000 -4.597) 4.894 5.199 ( -5.321 0.000 0.156) 5.323 5.222 ( 0.986 0.000 -2.345) 2.544 5.250 ( 4.263 0.000 -2.285) 4.836 5.282 ( 3.433 0.000 4.976) 6.045 5.391 ( 1.666 0.000 -5.739) 5.976 5.477 ( -2.517 0.000 -5.166) 5.747 5.490 ( -1.114 0.000 -1.248) 1.673 5.563 ( -0.637 0.000 -2.558) 2.636 5.897 ( -7.889 0.000 -0.792) 7.929 5.977 ( -3.679 0.000 0.276) 3.689 6.000 ( -0.616 0.000 3.407) 3.462 6.055 ( -0.175 0.000 7.640) 7.642 6.106 ( 0.303 0.000 -0.606) 0.677 6.109 ( -0.659 0.000 0.122) 0.671 6.280 ( -2.187 0.000 0.293) 2.206 6.333 ( 2.639 0.000 4.951) 5.610 6.526 ( 3.850 0.000 2.478) 4.579 6.560 ( -2.361 0.000 -2.897) 3.737 6.594 ( -0.027 0.000 -1.063) 1.064 6.676 ( -3.741 0.000 0.770) 3.820 6.734 ( 4.019 0.000 3.400) 5.264 6.778 ( -6.034 0.000 -1.434) 6.202 6.901 ( 1.373 0.000 0.637) 1.514 7.181 ( 0.364 0.000 1.489) 1.533 7.928 ( 19.122 0.000 0.244) 19.124 7.960 ( 21.155 0.000 -2.048) 21.254 8.205 ( 23.024 0.000 -2.629) 23.173 8.277 ( 13.078 0.000 3.111) 13.444 8.589 ( -2.791 0.000 -0.804) 2.904 8.692 ( 1.087 0.000 0.930) 1.431 8.899 ( -0.449 0.000 1.956) 2.007 8.922 ( 0.149 0.000 -0.889) 0.901 9.048 ( -2.114 0.000 2.121) 2.994 9.100 ( -5.242 0.000 -0.132) 5.243 9.159 ( -2.587 0.000 0.801) 2.708 9.247 ( -7.940 0.000 1.929) 8.170 9.292 ( -3.907 0.000 -5.589) 6.819 9.320 ( 0.803 0.000 -2.313) 2.449 9.450 ( -4.550 0.000 0.651) 4.597 9.487 ( -5.960 0.000 1.204) 6.081 9.653 ( -2.887 0.000 5.029) 5.799 9.721 ( 5.638 0.000 -2.711) 6.256 9.896 ( 9.821 0.000 1.290) 9.905 9.963 ( 13.148 0.000 -2.866) 13.456 9.991 ( 10.827 0.000 2.742) 11.169 10.093 ( 7.075 0.000 -1.803) 7.302 10.234 ( 10.569 0.000 -0.910) 10.608 10.293 ( 1.978 0.000 -0.286) 1.998 10.568 ( 6.351 0.000 -0.599) 6.379 10.577 ( 5.749 0.000 -1.537) 5.950 10.723 ( 3.006 0.000 1.151) 3.219 10.821 ( 8.733 0.000 -0.005) 8.733 11.352 ( -9.978 0.000 -0.476) 9.990 11.358 ( -11.421 0.000 0.554) 11.434 11.412 ( -5.516 0.000 0.953) 5.598 11.458 ( -3.502 0.000 0.182) 3.507 11.787 ( 3.922 0.000 2.247) 4.520 11.795 ( 0.628 0.000 -2.055) 2.149 11.885 ( 2.615 0.000 1.145) 2.855 11.919 ( 4.290 0.000 -1.805) 4.655 11.996 ( -5.823 0.000 3.397) 6.742 12.053 ( 0.399 0.000 -0.878) 0.964 12.078 ( -4.759 0.000 -2.612) 5.429 12.186 ( 0.128 0.000 0.455) 0.472 12.538 ( -4.087 0.000 0.591) 4.130 12.544 ( -5.075 0.000 -0.260) 5.082 12.759 ( -2.781 0.000 -0.835) 2.903 12.817 ( 0.367 0.000 0.536) 0.649 13.101 ( -2.841 0.000 0.697) 2.925 13.113 ( -0.003 0.000 -0.901) 0.901 13.604 ( -15.407 0.000 0.857) 15.430 13.704 ( 8.695 0.000 0.218) 8.697 13.705 ( 9.844 0.000 -0.345) 9.850 13.846 ( -9.659 0.000 -5.754) 11.243 14.037 ( 3.356 0.000 2.440) 4.149 14.094 ( 2.829 0.000 -0.350) 2.851 14.103 ( 0.391 0.000 -0.092) 0.401 14.147 ( 1.371 0.000 -0.182) 1.383 14.528 ( 2.459 0.000 1.215) 2.743 14.597 ( -1.572 0.000 -0.408) 1.624 14.769 ( -10.483 0.000 0.547) 10.497 14.837 ( -11.240 0.000 -3.594) 11.801 15.107 ( -11.383 0.000 -0.141) 11.384 15.134 ( -10.485 0.000 0.772) 10.514 15.192 ( -7.556 0.000 -2.521) 7.966 15.241 ( -8.727 0.000 0.394) 8.735 15.385 ( 1.477 0.000 1.445) 2.066 15.425 ( 5.525 0.000 -0.707) 5.570 15.562 ( -0.229 0.000 1.391) 1.410 15.590 ( -1.296 0.000 -0.789) 1.517 15.826 ( -7.806 0.000 -8.689) 11.681 15.889 ( 5.812 0.000 -2.130) 6.190 16.266 ( -2.678 0.000 0.615) 2.748 16.301 ( -2.127 0.000 1.283) 2.484 16.374 ( -2.269 0.000 -1.335) 2.633 16.552 ( 1.401 0.000 -8.766) 8.877 17.030 ( -0.593 0.000 -0.091) 0.600 17.092 ( -1.502 0.000 2.257) 2.712 17.100 ( -1.501 0.000 -0.706) 1.659 17.159 ( -1.302 0.000 -1.597) 2.061 19.514 ( -3.242 0.000 0.849) 3.351 19.625 ( -4.811 0.000 -2.610) 5.473 19.765 ( -4.440 0.000 0.385) 4.456 19.853 ( -7.250 0.000 -2.481) 7.663 20.369 ( 7.372 0.000 4.111) 8.441 20.371 ( 7.847 0.000 -1.033) 7.915 20.580 ( 6.831 0.000 -2.922) 7.430 20.647 ( 4.260 0.000 -0.873) 4.349 21.670 ( -7.914 0.000 2.139) 8.198 21.698 ( -11.285 0.000 0.459) 11.294 21.891 ( -9.829 0.000 0.418) 9.838 21.906 ( -9.810 0.000 0.145) 9.811 22.738 ( 10.995 0.000 -3.075) 11.417 22.846 ( 8.654 0.000 1.405) 8.767 23.001 ( 9.548 0.000 2.729) 9.930 23.009 ( 9.149 0.000 -1.264) 9.236 26.793 ( -13.660 0.000 0.199) 13.661 26.858 ( -16.164 0.000 -0.142) 16.165 26.920 ( -19.190 0.000 0.518) 19.197 27.709 ( -19.069 0.000 -27.288) 33.290 28.662 ( 21.893 0.000 1.228) 21.927 28.709 ( 21.136 0.000 -1.667) 21.202 29.055 ( 17.588 0.000 3.588) 17.951 29.098 ( 20.490 0.000 -0.995) 20.514 29.967 ( -16.373 0.000 1.679) 16.458 30.011 ( -15.808 0.000 -0.288) 15.811 30.259 ( -13.485 0.000 -1.150) 13.533 30.335 ( -3.258 0.000 0.950) 3.394 30.405 ( -0.324 0.000 -0.230) 0.397 30.537 ( -7.232 0.000 -3.271) 7.938 30.572 ( -16.967 0.000 5.736) 17.911 31.090 ( 8.301 0.000 0.131) 8.302 31.166 ( -1.434 0.000 -17.023) 17.083 31.322 ( 6.153 0.000 -0.229) 6.157 31.347 ( 10.300 0.000 -3.211) 10.789 31.698 ( 10.278 0.000 -8.508) 13.342 31.758 ( -0.819 0.000 -0.022) 0.819 31.811 ( -4.091 0.000 -6.779) 7.918 32.031 ( -3.852 0.000 -1.688) 4.206 32.365 ( -12.537 0.000 3.082) 12.910 32.387 ( -8.184 0.000 0.135) 8.186 32.519 ( -14.429 0.000 0.708) 14.446 32.567 ( -14.177 0.000 -1.388) 14.245 32.946 ( 8.682 0.000 -10.355) 13.513 33.041 ( 2.643 0.000 3.657) 4.512 33.372 ( 7.535 0.000 -19.153) 20.582 33.471 ( 5.487 0.000 -5.651) 7.877 33.613 ( 7.120 0.000 -4.351) 8.344 33.994 ( -1.007 0.000 -4.528) 4.639 34.016 ( 0.205 0.000 1.324) 1.340 34.477 ( -2.959 0.000 3.842) 4.850 34.522 ( -1.218 0.000 6.548) 6.660 34.971 ( -3.420 0.000 2.771) 4.402 35.001 ( 2.263 0.000 -4.344) 4.898 35.132 ( -3.927 0.000 1.409) 4.172 35.157 ( -0.255 0.000 -1.940) 1.956 35.260 ( -0.788 0.000 2.448) 2.571 35.304 ( 0.906 0.000 5.030) 5.111 35.361 ( 1.358 0.000 -0.331) 1.398 35.431 ( 1.121 0.000 3.681) 3.848 36.035 ( -14.611 0.000 26.224) 30.020 37.178 ( 17.487 0.000 37.205) 41.109 37.341 ( 13.540 0.000 -8.668) 16.077 37.945 ( 20.748 0.000 -4.163) 21.161 ======================= Grid point 98 (51/69) ======================= q-point: (-0.11 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 69 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.714 ( -34.112 0.000 12.481) 36.323 0.806 ( -19.295 0.000 17.072) 25.763 1.251 ( -5.585 0.000 19.405) 20.193 1.394 ( -18.821 0.000 -10.176) 21.396 1.618 ( -2.934 0.000 9.095) 9.556 1.712 ( 0.247 0.000 12.006) 12.009 1.863 ( -6.336 0.000 7.349) 9.703 1.901 ( 3.206 0.000 -7.798) 8.431 2.133 ( -0.100 0.000 14.825) 14.825 2.151 ( 5.139 0.000 8.091) 9.585 2.252 ( 4.113 0.000 -1.490) 4.374 2.325 ( -8.795 0.000 6.765) 11.095 2.502 ( 1.078 0.000 -2.076) 2.339 2.510 ( -0.507 0.000 2.926) 2.970 2.538 ( -1.923 0.000 -9.575) 9.766 2.662 ( 3.252 0.000 8.088) 8.717 2.669 ( -3.332 0.000 -0.074) 3.332 2.675 ( 2.538 0.000 -6.773) 7.233 2.776 ( -2.966 0.000 -1.184) 3.193 2.884 ( -8.810 0.000 -5.745) 10.518 2.969 ( 0.415 0.000 1.589) 1.642 3.014 ( -0.115 0.000 -3.147) 3.149 3.041 ( -3.088 0.000 -2.205) 3.794 3.074 ( -1.902 0.000 0.725) 2.036 3.080 ( 0.262 0.000 -5.178) 5.185 3.200 ( 0.632 0.000 -1.657) 1.774 3.228 ( -3.066 0.000 6.064) 6.795 3.320 ( 1.921 0.000 -4.139) 4.563 3.372 ( -0.611 0.000 -1.130) 1.285 3.530 ( -4.227 0.000 -0.571) 4.266 3.541 ( -5.249 0.000 -2.038) 5.631 3.680 ( 0.444 0.000 6.711) 6.726 3.751 ( 1.349 0.000 5.579) 5.739 3.774 ( 1.399 0.000 3.323) 3.605 3.856 ( 7.747 0.000 -1.717) 7.935 3.914 ( 9.942 0.000 5.063) 11.157 4.162 ( -4.672 0.000 -2.649) 5.371 4.175 ( 1.372 0.000 4.354) 4.565 4.204 ( -3.201 0.000 10.609) 11.081 4.207 ( 0.927 0.000 -2.334) 2.511 4.381 ( -0.716 0.000 -8.014) 8.046 4.407 ( -4.075 0.000 0.352) 4.090 4.521 ( -4.070 0.000 -2.874) 4.983 4.542 ( -1.624 0.000 -5.397) 5.636 4.597 ( -1.496 0.000 -0.626) 1.622 4.665 ( 0.002 0.000 1.019) 1.019 4.739 ( -6.336 0.000 0.488) 6.355 4.843 ( 1.294 0.000 -9.312) 9.401 4.891 ( 0.940 0.000 -0.481) 1.056 4.979 ( 2.469 0.000 -6.503) 6.956 5.060 ( 2.150 0.000 0.443) 2.195 5.072 ( -3.673 0.000 -4.168) 5.555 5.183 ( 6.371 0.000 2.015) 6.682 5.269 ( 0.284 0.000 -1.836) 1.858 5.277 ( -4.002 0.000 -7.942) 8.893 5.310 ( 6.523 0.000 1.756) 6.755 5.407 ( 1.899 0.000 -3.005) 3.555 5.427 ( 2.105 0.000 3.391) 3.991 5.569 ( 6.803 0.000 3.364) 7.589 5.569 ( 1.817 0.000 0.163) 1.824 5.768 ( -5.020 0.000 1.238) 5.171 5.914 ( -3.435 0.000 0.291) 3.447 6.003 ( -1.760 0.000 2.274) 2.875 6.098 ( 1.451 0.000 -3.132) 3.452 6.117 ( -0.113 0.000 0.466) 0.480 6.210 ( 7.547 0.000 4.714) 8.898 6.263 ( 0.049 0.000 -2.248) 2.248 6.353 ( -8.477 0.000 3.274) 9.087 6.493 ( 3.260 0.000 -4.432) 5.502 6.555 ( -1.724 0.000 -1.542) 2.313 6.607 ( 2.555 0.000 2.543) 3.605 6.660 ( 1.307 0.000 1.561) 2.036 6.736 ( -0.007 0.000 1.422) 1.422 6.826 ( 0.963 0.000 -1.009) 1.395 7.085 ( 18.494 0.000 5.626) 19.331 7.216 ( 0.164 0.000 3.404) 3.408 8.220 ( 16.796 0.000 1.415) 16.855 8.237 ( 17.244 0.000 -2.667) 17.449 8.491 ( 16.682 0.000 -2.446) 16.860 8.497 ( 8.733 0.000 2.055) 8.971 8.539 ( -1.094 0.000 1.432) 1.802 8.725 ( 1.470 0.000 1.342) 1.990 8.869 ( -6.914 0.000 -1.568) 7.090 8.905 ( -4.426 0.000 1.639) 4.719 8.978 ( -6.306 0.000 -3.436) 7.181 9.011 ( -2.383 0.000 -1.593) 2.867 9.142 ( -7.861 0.000 1.603) 8.023 9.145 ( -1.014 0.000 1.750) 2.022 9.183 ( -0.480 0.000 -4.323) 4.350 9.284 ( -3.527 0.000 -1.428) 3.805 9.413 ( -1.851 0.000 -0.241) 1.866 9.426 ( -2.098 0.000 1.724) 2.715 9.677 ( -2.054 0.000 6.579) 6.892 9.789 ( 6.350 0.000 -2.265) 6.742 10.035 ( 6.367 0.000 -1.164) 6.472 10.104 ( 0.784 0.000 -2.993) 3.093 10.120 ( 9.110 0.000 -0.382) 9.118 10.149 ( 5.473 0.000 -0.531) 5.498 10.307 ( 1.688 0.000 -0.292) 1.713 10.394 ( 9.182 0.000 -1.220) 9.263 10.650 ( 5.602 0.000 -1.474) 5.793 10.661 ( 5.519 0.000 -0.801) 5.577 10.801 ( 4.656 0.000 1.795) 4.990 10.927 ( 4.055 0.000 -1.102) 4.202 11.162 ( -13.059 0.000 0.460) 13.067 11.168 ( -11.801 0.000 -1.608) 11.911 11.362 ( -3.086 0.000 1.614) 3.483 11.405 ( -1.788 0.000 -1.019) 2.058 11.783 ( 1.346 0.000 -2.325) 2.686 11.835 ( -1.833 0.000 2.551) 3.141 11.945 ( -4.266 0.000 3.239) 5.356 11.961 ( 3.906 0.000 -2.430) 4.600 11.986 ( -0.497 0.000 -1.272) 1.365 11.994 ( 5.131 0.000 2.235) 5.597 12.049 ( 0.704 0.000 -1.204) 1.395 12.191 ( -0.478 0.000 0.018) 0.479 12.457 ( -4.914 0.000 -0.820) 4.982 12.457 ( -4.988 0.000 -0.630) 5.028 12.741 ( 0.127 0.000 1.016) 1.024 12.815 ( -0.743 0.000 -0.113) 0.752 13.077 ( -1.543 0.000 1.149) 1.924 13.112 ( 1.335 0.000 -1.617) 2.097 13.378 ( -13.059 0.000 0.362) 13.064 13.485 ( -24.220 0.000 -10.122) 26.250 13.841 ( 7.493 0.000 -0.364) 7.502 13.864 ( 9.364 0.000 0.303) 9.369 14.088 ( 0.699 0.000 0.816) 1.075 14.089 ( -0.716 0.000 -0.586) 0.925 14.163 ( 5.612 0.000 1.311) 5.763 14.211 ( 6.501 0.000 -1.342) 6.638 14.509 ( -8.518 0.000 -1.456) 8.641 14.509 ( -11.449 0.000 1.841) 11.596 14.638 ( -3.953 0.000 1.292) 4.159 14.649 ( -1.573 0.000 -1.217) 1.989 14.916 ( -12.435 0.000 1.114) 12.484 14.926 ( -13.006 0.000 -1.375) 13.078 14.945 ( -14.873 0.000 -3.562) 15.294 15.061 ( -12.295 0.000 0.048) 12.295 15.466 ( 3.601 0.000 2.494) 4.381 15.544 ( 8.782 0.000 0.266) 8.786 15.602 ( 3.747 0.000 0.937) 3.862 15.618 ( -5.342 0.000 -4.137) 6.756 15.649 ( 3.403 0.000 4.060) 5.298 15.929 ( 3.171 0.000 -3.996) 5.101 16.239 ( -1.967 0.000 0.942) 2.181 16.258 ( -3.837 0.000 0.732) 3.906 16.328 ( -2.005 0.000 -0.869) 2.186 16.363 ( -10.411 0.000 -5.244) 11.658 17.026 ( 0.129 0.000 0.152) 0.199 17.063 ( -1.146 0.000 -0.716) 1.351 17.110 ( -0.566 0.000 2.326) 2.394 17.137 ( 0.134 0.000 -0.326) 0.352 19.496 ( -1.716 0.000 0.337) 1.749 19.529 ( -2.780 0.000 -2.863) 3.991 19.740 ( -0.671 0.000 1.248) 1.417 19.756 ( -1.514 0.000 -0.286) 1.541 20.471 ( 6.260 0.000 -0.756) 6.306 20.492 ( 2.764 0.000 3.054) 4.119 20.648 ( 5.501 0.000 -2.276) 5.953 20.680 ( 1.071 0.000 -0.004) 1.071 21.574 ( -6.059 0.000 2.071) 6.404 21.629 ( -1.359 0.000 0.439) 1.428 21.771 ( -5.819 0.000 0.023) 5.819 21.777 ( -6.277 0.000 0.049) 6.277 22.847 ( 7.237 0.000 -2.967) 7.822 22.926 ( 1.925 0.000 -2.508) 3.161 23.135 ( 7.138 0.000 0.681) 7.171 23.150 ( 5.608 0.000 1.947) 5.936 26.622 ( -8.133 0.000 -0.313) 8.139 26.646 ( -9.948 0.000 -0.652) 9.970 26.685 ( -12.072 0.000 1.606) 12.178 26.937 ( -33.483 0.000 -15.869) 37.053 29.017 ( 22.067 0.000 1.391) 22.110 29.031 ( 22.377 0.000 -1.177) 22.408 29.355 ( 11.769 0.000 0.682) 11.788 29.364 ( 15.671 0.000 2.290) 15.837 29.694 ( -20.343 0.000 0.513) 20.350 29.739 ( -18.382 0.000 -0.947) 18.406 30.104 ( -8.828 0.000 7.091) 11.323 30.310 ( -1.737 0.000 1.430) 2.249 30.368 ( -6.236 0.000 -2.498) 6.718 30.398 ( -1.242 0.000 -1.923) 2.289 30.425 ( -12.778 0.000 9.127) 15.702 30.854 ( -7.012 0.000 -13.982) 15.641 31.217 ( 6.216 0.000 1.240) 6.338 31.393 ( -0.528 0.000 -1.886) 1.959 31.421 ( 4.887 0.000 3.745) 6.157 31.737 ( 11.568 0.000 -6.098) 13.077 31.777 ( 3.464 0.000 0.773) 3.549 31.866 ( 7.070 0.000 -0.217) 7.073 32.015 ( 1.760 0.000 0.427) 1.811 32.205 ( -12.002 0.000 3.055) 12.385 32.250 ( -6.980 0.000 -3.124) 7.648 32.321 ( -11.796 0.000 0.519) 11.808 32.326 ( -14.287 0.000 -0.097) 14.287 32.751 ( -2.114 0.000 -32.990) 33.057 33.120 ( 1.472 0.000 4.128) 4.383 33.238 ( 0.855 0.000 -9.612) 9.650 33.465 ( 2.402 0.000 -5.372) 5.884 33.631 ( 3.875 0.000 -7.206) 8.182 34.080 ( 8.873 0.000 3.588) 9.571 34.169 ( 7.824 0.000 9.744) 12.496 34.436 ( -5.272 0.000 0.273) 5.280 34.550 ( -2.525 0.000 3.198) 4.075 34.947 ( -4.336 0.000 3.450) 5.541 34.990 ( 2.699 0.000 -4.430) 5.187 35.090 ( -3.924 0.000 2.637) 4.728 35.140 ( 0.856 0.000 -2.037) 2.210 35.272 ( -1.013 0.000 2.516) 2.713 35.342 ( 0.825 0.000 -0.265) 0.866 35.392 ( 1.438 0.000 1.547) 2.112 35.445 ( -1.130 0.000 0.650) 1.304 36.269 ( -3.735 0.000 36.666) 36.855 37.361 ( 6.790 0.000 -15.998) 17.380 37.916 ( 25.717 0.000 16.002) 30.289 38.165 ( 13.681 0.000 -4.710) 14.469 ======================= Grid point 99 (52/69) ======================= q-point: ( 0.00 0.25 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.735 ( -6.842 19.062 13.561) 24.373 1.050 ( 5.999 18.311 -13.576) 23.571 1.310 ( -2.964 15.818 9.019) 18.448 1.501 ( 3.483 3.575 0.585) 5.025 1.615 ( -2.899 -1.727 -5.046) 6.071 1.726 ( 3.259 -10.752 -6.748) 13.106 1.900 ( 0.613 4.838 22.252) 22.780 2.017 ( 0.761 -6.994 16.933) 18.337 2.134 ( 0.648 -1.876 5.061) 5.437 2.241 ( 2.423 -1.737 9.101) 9.577 2.286 ( 1.257 1.955 2.450) 3.377 2.364 ( -0.337 -3.824 -1.593) 4.156 2.412 ( -8.941 -1.622 -0.278) 9.092 2.481 ( 0.370 1.380 3.250) 3.550 2.542 ( 2.443 -0.451 -1.550) 2.928 2.600 ( 0.212 -0.822 3.875) 3.967 2.672 ( 4.418 3.723 -8.296) 10.110 2.702 ( -2.672 -0.395 -2.260) 3.522 2.766 ( 1.670 1.309 -3.041) 3.708 2.820 ( 1.073 1.106 -5.725) 5.929 2.875 ( -4.414 -1.764 -5.449) 7.231 2.876 ( -2.133 -0.760 -1.228) 2.576 3.018 ( 1.877 5.664 1.865) 6.251 3.067 ( 0.900 -1.447 -3.423) 3.823 3.129 ( 3.624 -0.204 0.611) 3.681 3.176 ( -4.766 -0.168 -1.739) 5.076 3.290 ( -1.333 -0.211 3.866) 4.095 3.317 ( 0.754 -3.602 1.937) 4.159 3.364 ( 1.459 -1.864 -2.764) 3.640 3.409 ( 1.954 -5.320 -6.356) 8.516 3.582 ( -3.045 7.533 6.843) 10.623 3.677 ( 1.806 -2.444 0.239) 3.049 3.867 ( -5.683 -0.849 3.678) 6.823 3.913 ( 6.431 -3.625 -0.309) 7.389 3.925 ( -0.011 3.268 7.614) 8.285 3.964 ( 2.681 0.026 4.989) 5.664 3.997 ( 1.389 -2.278 1.155) 2.907 4.150 ( 0.309 3.377 -4.666) 5.768 4.258 ( -0.966 -1.652 4.023) 4.455 4.329 ( -4.764 -0.706 4.397) 6.521 4.345 ( 2.842 5.270 0.101) 5.988 4.396 ( -2.690 5.589 -4.542) 7.688 4.479 ( 0.462 3.928 1.233) 4.143 4.532 ( 2.653 1.483 -3.697) 4.786 4.625 ( 3.069 -0.562 -0.008) 3.120 4.655 ( -2.053 -0.572 0.411) 2.171 4.695 ( -2.525 -1.474 0.745) 3.017 4.745 ( 1.983 -5.202 -5.253) 7.654 4.832 ( -0.270 -0.034 -0.535) 0.601 4.929 ( -2.381 -0.186 -8.066) 8.412 5.042 ( -1.920 2.680 -2.154) 3.938 5.073 ( -0.924 -3.932 -3.356) 5.251 5.144 ( 3.962 2.976 1.217) 5.103 5.198 ( -3.393 1.252 -3.400) 4.964 5.233 ( 2.944 -3.252 2.153) 4.886 5.322 ( 1.154 -3.911 -4.440) 6.028 5.426 ( 0.807 -0.102 0.514) 0.962 5.454 ( 0.944 -0.143 -0.877) 1.297 5.570 ( 0.806 -2.412 0.723) 2.644 5.604 ( -0.371 -2.635 -2.233) 3.474 5.829 ( 2.940 -1.012 4.881) 5.787 5.888 ( 1.135 -1.569 0.004) 1.936 5.950 ( -4.310 -2.564 0.888) 5.093 6.030 ( -3.106 -1.046 -4.360) 5.455 6.082 ( -0.411 -1.401 3.556) 3.844 6.177 ( -1.975 -3.511 -3.899) 5.606 6.243 ( -0.922 -3.373 1.278) 3.723 6.258 ( 3.017 -3.576 0.076) 4.679 6.506 ( -5.141 1.764 5.092) 7.448 6.581 ( 2.618 -0.440 -0.953) 2.821 6.631 ( 3.224 -0.451 1.065) 3.425 6.665 ( -0.965 -0.931 -2.328) 2.687 6.781 ( -0.260 1.727 1.632) 2.391 6.827 ( 1.922 1.396 -2.643) 3.554 7.105 ( -3.307 -11.675 2.438) 12.377 7.123 ( 2.827 -11.463 0.665) 11.825 8.403 ( -3.106 3.718 0.278) 4.853 8.417 ( 2.503 2.495 -1.126) 3.709 8.555 ( -2.084 -3.581 2.936) 5.078 8.610 ( 1.473 -5.352 -1.973) 5.891 8.633 ( 7.625 4.308 1.709) 8.923 8.679 ( -7.814 1.785 -3.049) 8.576 8.788 ( 1.435 -0.863 1.064) 1.984 8.793 ( 0.455 1.728 0.583) 1.879 8.914 ( -2.332 -2.900 -0.497) 3.754 8.930 ( 1.895 -0.426 -2.029) 2.809 9.066 ( -1.135 -2.058 0.284) 2.368 9.092 ( 0.507 -2.950 -2.145) 3.682 9.225 ( 0.086 3.722 2.346) 4.400 9.265 ( -0.864 3.509 -1.130) 3.787 9.388 ( -1.104 -2.051 1.240) 2.639 9.408 ( 1.520 -1.872 -0.597) 2.484 9.734 ( -2.403 1.844 5.696) 6.451 9.830 ( 4.136 -2.307 -2.314) 5.271 10.044 ( -0.189 -0.062 -3.038) 3.045 10.056 ( -0.576 -0.497 -3.671) 3.749 10.223 ( -1.622 3.954 1.633) 4.575 10.249 ( 0.920 4.473 -0.903) 4.655 10.347 ( 2.107 -1.388 2.986) 3.909 10.404 ( -2.153 -2.317 -2.438) 3.994 10.706 ( -0.313 2.152 0.546) 2.242 10.724 ( -0.161 3.174 -1.197) 3.396 10.848 ( 0.383 -3.482 2.187) 4.129 10.892 ( -0.862 -3.435 -2.022) 4.078 11.072 ( -0.978 3.389 0.292) 3.539 11.083 ( 1.265 3.536 -0.808) 3.842 11.315 ( 0.160 -4.360 1.397) 4.581 11.341 ( 0.068 -4.672 -1.128) 4.807 11.795 ( -3.263 0.832 0.310) 3.382 11.808 ( 2.966 0.124 -1.122) 3.173 11.925 ( -1.467 -0.200 1.165) 1.884 11.933 ( 0.214 -1.415 0.228) 1.450 12.052 ( -0.966 3.057 0.930) 3.338 12.063 ( -0.555 3.246 -0.103) 3.295 12.164 ( 2.208 3.869 1.772) 4.794 12.215 ( 0.267 3.034 -2.715) 4.080 12.489 ( -0.626 6.821 0.508) 6.869 12.511 ( 0.380 7.231 -1.614) 7.419 12.735 ( -0.208 -3.540 1.448) 3.830 12.758 ( 0.528 -3.579 -0.798) 3.705 13.087 ( -0.500 2.026 0.621) 2.177 13.104 ( 0.767 0.280 -0.984) 1.278 13.202 ( 0.844 -2.149 1.163) 2.585 13.222 ( -1.155 -2.450 -0.786) 2.820 14.050 ( 1.539 9.640 1.272) 9.845 14.078 ( -2.683 6.437 -1.300) 7.094 14.113 ( 0.126 1.193 0.362) 1.253 14.128 ( 1.162 1.546 -1.096) 2.223 14.271 ( -1.272 2.918 -0.079) 3.184 14.286 ( -1.195 6.473 -1.932) 6.860 14.442 ( 0.992 2.905 1.327) 3.344 14.472 ( 3.371 3.813 -1.588) 5.331 14.603 ( -2.707 -1.942 0.668) 3.398 14.624 ( 3.047 -0.646 -1.841) 3.618 14.754 ( -0.455 -4.511 1.221) 4.695 14.788 ( 0.819 -2.660 -2.105) 3.490 14.973 ( -3.355 10.222 2.721) 11.097 15.044 ( 3.277 16.276 -4.752) 17.269 15.492 ( 0.162 -4.501 4.102) 6.092 15.540 ( -1.757 -0.933 -1.339) 2.398 15.614 ( -2.003 -2.230 1.513) 3.358 15.638 ( 3.001 -0.865 -0.285) 3.136 15.718 ( 1.810 -2.303 3.242) 4.369 15.832 ( -1.400 -6.388 -7.219) 9.741 16.221 ( 0.124 0.648 0.114) 0.669 16.225 ( -1.532 0.070 -0.387) 1.582 16.251 ( 0.891 -0.804 1.382) 1.830 16.276 ( -0.969 -1.579 -0.967) 2.090 17.048 ( 0.257 1.336 0.401) 1.419 17.057 ( -0.250 1.228 -0.471) 1.339 17.119 ( -0.553 -0.447 1.271) 1.456 17.136 ( 0.904 -0.918 -0.395) 1.347 19.471 ( -0.770 0.686 0.587) 1.187 19.497 ( 0.965 0.520 -2.069) 2.341 19.703 ( -0.448 -3.968 0.988) 4.114 19.712 ( -0.100 -4.102 0.065) 4.104 20.521 ( -3.027 0.875 1.858) 3.658 20.541 ( 1.483 0.161 0.322) 1.526 20.675 ( -0.759 0.020 -0.563) 0.946 20.690 ( 2.268 -0.374 -1.635) 2.821 21.570 ( 0.815 0.887 1.813) 2.177 21.604 ( 0.868 -0.289 -1.417) 1.687 21.708 ( -1.835 -1.046 0.498) 2.170 21.714 ( 0.315 -0.981 -0.054) 1.032 22.868 ( -1.417 -1.493 -0.660) 2.162 22.879 ( 1.711 -1.417 -1.872) 2.905 23.192 ( -1.043 -0.717 0.782) 1.487 23.192 ( 0.058 -0.844 0.613) 1.045 26.557 ( 0.468 0.234 -0.226) 0.570 26.557 ( -0.772 0.310 -0.289) 0.881 26.615 ( 1.424 0.444 0.345) 1.531 26.621 ( -0.731 0.117 -0.230) 0.775 29.372 ( -0.711 1.461 2.416) 2.911 29.412 ( -5.355 0.837 -0.467) 5.440 29.445 ( 14.351 2.931 1.890) 14.769 29.494 ( -1.967 -1.010 -1.689) 2.782 29.545 ( -6.738 11.241 3.603) 13.592 29.703 ( -0.864 24.701 -12.328) 27.620 30.158 ( 2.837 -2.121 11.440) 11.976 30.280 ( -1.914 -0.063 -2.188) 2.907 30.297 ( -0.942 -1.411 2.211) 2.786 30.343 ( -0.864 -2.108 -1.167) 2.560 30.403 ( -2.852 1.749 5.228) 6.207 30.643 ( 3.894 -5.526 -13.394) 15.004 31.371 ( -2.374 3.265 -0.639) 4.087 31.377 ( 1.484 8.490 -2.123) 8.876 31.537 ( 1.574 -2.350 7.581) 8.091 31.772 ( 4.292 -4.652 -13.005) 14.463 31.898 ( 4.115 3.170 0.962) 5.283 31.926 ( -2.964 2.373 -1.523) 4.091 32.030 ( -0.974 -1.834 3.987) 4.495 32.112 ( -6.652 0.449 -0.941) 6.733 32.126 ( -4.031 0.481 -0.002) 4.059 32.173 ( 2.212 -4.152 -2.832) 5.491 32.205 ( 0.908 -1.120 -0.383) 1.491 32.284 ( 2.197 -4.906 -17.154) 17.977 33.166 ( 0.136 0.293 1.368) 1.406 33.183 ( 0.033 -0.186 -1.195) 1.209 33.454 ( -0.298 0.332 -1.026) 1.119 33.541 ( -0.039 -3.050 -7.711) 8.292 34.282 ( 8.147 1.492 3.222) 8.887 34.327 ( -0.808 -0.195 0.557) 1.000 34.415 ( 2.655 2.110 3.627) 4.966 34.492 ( -4.022 -1.012 -2.076) 4.638 34.935 ( -3.536 1.714 3.150) 5.036 34.994 ( 1.322 -0.085 -2.047) 2.438 35.070 ( -1.176 0.010 2.275) 2.561 35.123 ( 1.849 -1.466 -2.441) 3.395 35.301 ( -0.203 1.186 2.716) 2.970 35.352 ( 0.998 1.171 -2.217) 2.698 35.389 ( -0.445 -2.940 2.624) 3.966 35.421 ( 0.223 -1.620 -0.611) 1.746 36.784 ( -1.926 14.884 31.950) 35.300 37.271 ( 0.570 4.424 -14.871) 15.525 37.942 ( -2.951 -17.468 8.964) 19.854 38.111 ( 2.022 -12.858 -7.153) 14.852 ======================= Grid point 100 (53/69) ======================= q-point: ( 0.11 0.25 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.950 ( 18.149 5.963 8.220) 20.797 1.191 ( 21.978 7.887 -7.135) 24.416 1.410 ( 3.768 8.829 7.289) 12.053 1.501 ( 6.505 15.636 -9.662) 19.497 1.584 ( -3.576 -3.342 6.598) 8.215 1.688 ( 3.124 -7.532 -5.617) 9.902 1.999 ( -2.891 -1.500 -8.430) 9.038 2.080 ( 1.504 -5.069 2.139) 5.704 2.204 ( -1.647 3.360 -10.208) 10.872 2.266 ( -0.702 -6.831 -0.974) 6.936 2.302 ( 2.404 2.674 3.244) 4.842 2.340 ( -2.475 -7.145 1.876) 7.791 2.392 ( -3.189 0.612 10.285) 10.785 2.496 ( -0.469 0.417 0.489) 0.796 2.580 ( 3.017 5.799 -7.896) 10.251 2.671 ( 6.024 2.170 5.601) 8.507 2.694 ( 6.784 5.207 -0.760) 8.586 2.735 ( 5.573 -4.250 -4.480) 8.318 2.757 ( -0.517 -0.239 1.204) 1.332 2.800 ( 2.950 -0.927 -1.772) 3.564 2.865 ( 4.132 1.051 4.631) 6.295 2.922 ( 5.408 -2.536 4.230) 7.319 3.012 ( -3.380 -4.282 -1.909) 5.780 3.066 ( 1.257 1.514 -0.033) 1.968 3.088 ( 1.008 5.796 -2.122) 6.254 3.196 ( -1.238 1.261 1.869) 2.572 3.260 ( 1.261 -1.278 0.656) 1.911 3.342 ( 2.753 2.963 -1.904) 4.470 3.402 ( 3.948 -6.409 -0.945) 7.586 3.462 ( 6.809 -1.862 -1.131) 7.149 3.586 ( -3.440 4.777 5.633) 8.148 3.656 ( -1.986 5.661 -3.859) 7.134 3.818 ( -3.354 -4.792 1.044) 5.942 3.913 ( -4.343 -0.263 -5.532) 7.038 3.937 ( -2.356 -6.286 -3.160) 7.420 3.987 ( 2.571 -2.671 -0.607) 3.757 4.084 ( 1.241 4.968 7.263) 8.886 4.105 ( 3.653 7.025 -10.104) 12.837 4.288 ( -2.285 4.820 0.267) 5.341 4.302 ( 1.422 -0.884 2.877) 3.329 4.362 ( 1.780 0.943 7.850) 8.104 4.457 ( 1.734 2.912 -0.749) 3.471 4.469 ( -3.397 4.030 -3.627) 6.398 4.503 ( 3.235 0.754 -2.514) 4.166 4.579 ( -3.557 -3.187 -2.066) 5.204 4.644 ( -1.295 -3.419 4.477) 5.781 4.703 ( -1.545 -5.257 1.482) 5.676 4.733 ( 1.286 -2.221 -1.774) 3.120 4.833 ( -1.356 2.068 0.421) 2.509 4.888 ( 1.109 0.270 4.559) 4.700 4.997 ( 0.829 1.732 0.745) 2.059 5.115 ( -2.884 -5.627 2.311) 6.732 5.123 ( 3.011 4.854 -0.422) 5.728 5.214 ( 0.339 0.908 2.763) 2.929 5.227 ( 0.689 -4.178 -6.911) 8.105 5.325 ( 2.335 0.044 -1.394) 2.720 5.376 ( -2.951 -0.696 -0.034) 3.032 5.480 ( 1.093 -1.288 -2.525) 3.038 5.547 ( -3.265 -2.694 -0.883) 4.324 5.577 ( -2.134 -3.885 0.742) 4.494 5.819 ( -1.795 -1.570 -2.713) 3.612 5.877 ( -0.119 -3.283 -0.620) 3.343 6.006 ( 1.140 -0.247 3.531) 3.719 6.031 ( 5.454 2.243 1.718) 6.142 6.115 ( -1.032 -4.032 -1.500) 4.424 6.148 ( 2.229 -1.332 6.609) 7.101 6.238 ( -0.685 -0.920 -1.517) 1.902 6.289 ( 2.607 -4.032 -0.485) 4.826 6.470 ( -5.596 0.649 3.824) 6.809 6.577 ( -1.770 -2.783 -0.561) 3.345 6.628 ( 0.119 2.493 -2.074) 3.245 6.688 ( 2.707 2.337 -0.363) 3.595 6.763 ( -0.858 -1.520 -0.859) 1.946 6.837 ( 1.484 1.953 -1.961) 3.141 7.024 ( -7.674 -8.460 0.122) 11.423 7.134 ( -1.860 -9.490 0.125) 9.671 8.233 ( -16.390 3.992 0.709) 16.885 8.270 ( -17.423 2.054 -0.766) 17.561 8.401 ( -17.068 -3.115 2.669) 17.554 8.488 ( -12.366 -7.434 -1.907) 14.554 8.618 ( 2.180 5.705 -2.340) 6.540 8.765 ( 1.702 2.779 1.397) 3.546 8.816 ( 6.454 -1.500 -0.627) 6.656 8.886 ( -0.854 1.609 2.996) 3.507 8.934 ( 8.666 -2.959 -1.934) 9.360 8.980 ( 5.873 -1.996 -0.647) 6.237 9.078 ( 1.750 -2.340 1.349) 3.219 9.106 ( 2.671 -3.244 -0.366) 4.218 9.265 ( 2.834 4.081 0.649) 5.011 9.280 ( 1.902 2.713 1.087) 3.487 9.403 ( 3.091 -0.904 -0.095) 3.222 9.435 ( 2.156 -2.076 -0.547) 3.043 9.749 ( -2.134 2.473 2.646) 4.204 9.835 ( 2.635 -0.705 -6.504) 7.053 9.978 ( -5.401 -0.770 1.114) 5.568 10.025 ( -2.844 -1.745 1.156) 3.531 10.166 ( -7.891 4.612 1.515) 9.264 10.208 ( -5.338 3.099 -0.909) 6.239 10.287 ( -7.204 -1.596 -1.236) 7.481 10.335 ( -7.133 -2.034 1.818) 7.637 10.666 ( -5.778 3.033 1.031) 6.607 10.671 ( -4.963 2.920 -0.580) 5.787 10.812 ( -4.980 -2.497 -0.965) 5.654 10.855 ( -3.244 -3.687 1.614) 5.169 11.161 ( 10.030 1.534 -0.038) 10.146 11.190 ( 11.274 1.351 -0.201) 11.357 11.341 ( 2.610 -3.275 -0.141) 4.190 11.367 ( 4.437 -3.105 0.062) 5.416 11.780 ( 0.631 2.736 0.617) 2.874 11.858 ( 1.910 -1.145 0.014) 2.227 11.898 ( -3.249 -0.554 0.237) 3.304 11.939 ( 0.880 -1.866 0.774) 2.203 12.032 ( -3.439 3.604 0.555) 5.012 12.036 ( -2.566 3.320 1.666) 4.514 12.135 ( -3.128 3.637 -3.308) 5.827 12.205 ( 0.661 0.491 -0.252) 0.861 12.515 ( 2.571 5.881 1.301) 6.549 12.530 ( 3.922 6.575 -0.624) 7.681 12.734 ( 0.153 -3.112 -0.007) 3.116 12.775 ( 1.558 -3.270 -0.458) 3.651 13.100 ( 1.342 2.689 0.420) 3.034 13.119 ( 2.593 2.372 -0.688) 3.581 13.298 ( 10.558 -5.557 0.656) 11.949 13.325 ( 11.162 -5.392 -0.043) 12.396 13.971 ( -8.241 8.487 -0.284) 11.833 14.015 ( -8.836 7.771 0.014) 11.768 14.068 ( -1.965 -0.258 0.714) 2.107 14.153 ( -3.768 -1.170 -0.207) 3.951 14.196 ( 1.591 7.598 -1.041) 7.832 14.269 ( -1.111 8.860 2.489) 9.270 14.486 ( 5.241 -1.808 -0.762) 5.596 14.587 ( 3.960 0.057 -1.351) 4.185 14.670 ( 10.998 6.564 -3.528) 13.285 14.687 ( 7.880 1.506 1.227) 8.116 14.865 ( 12.076 -3.589 1.109) 12.646 14.888 ( 12.566 -3.580 -0.975) 13.103 15.018 ( 6.225 9.848 1.951) 11.812 15.118 ( 10.114 7.162 -1.978) 12.550 15.457 ( -5.877 -4.162 0.459) 7.217 15.508 ( -6.533 -2.435 0.724) 7.009 15.574 ( -1.224 -0.005 -0.470) 1.311 15.631 ( -1.706 1.088 0.497) 2.083 15.702 ( -2.509 -6.839 -5.402) 9.069 15.785 ( -1.088 -4.609 4.313) 6.405 16.244 ( 3.052 -0.465 0.063) 3.088 16.264 ( 2.593 -1.165 -0.816) 2.958 16.292 ( 5.003 0.971 1.251) 5.248 16.323 ( 5.284 -0.071 1.412) 5.470 17.047 ( -0.115 1.305 -0.324) 1.350 17.060 ( 0.531 1.102 0.379) 1.281 17.121 ( -0.289 -0.496 0.560) 0.802 17.142 ( 0.940 -0.945 -1.204) 1.796 19.488 ( 1.980 0.581 1.302) 2.440 19.509 ( 2.773 -0.362 -1.672) 3.258 19.711 ( 1.041 -3.004 0.586) 3.233 19.719 ( 1.076 -3.178 0.371) 3.376 20.458 ( -7.210 1.707 1.790) 7.622 20.524 ( -4.203 -0.978 0.522) 4.347 20.633 ( -3.596 1.068 -0.959) 3.872 20.682 ( -1.274 -1.031 -1.180) 2.019 21.630 ( 5.336 0.372 -0.705) 5.396 21.632 ( 5.664 0.506 -1.814) 5.969 21.744 ( 5.011 -0.778 1.526) 5.295 21.768 ( 5.980 -0.680 0.639) 6.052 22.812 ( -5.369 -0.204 0.028) 5.373 22.862 ( -2.170 -2.565 -0.286) 3.371 23.127 ( -7.974 -0.538 0.643) 8.018 23.149 ( -6.249 -1.556 0.468) 6.457 26.620 ( 8.968 0.742 0.027) 8.998 26.652 ( 10.713 0.992 0.812) 10.789 26.718 ( 13.727 -1.251 -2.064) 13.938 26.762 ( 16.240 -1.267 1.169) 16.331 29.099 ( -23.321 7.842 0.165) 24.605 29.151 ( -22.517 7.570 -0.583) 23.763 29.338 ( -14.820 -2.843 0.151) 15.091 29.356 ( -14.058 -3.458 -0.356) 14.481 29.821 ( 18.178 12.609 -0.441) 22.127 29.867 ( 18.741 13.821 3.136) 23.496 30.228 ( 1.871 -0.759 -4.880) 5.281 30.321 ( 5.685 0.075 2.144) 6.076 30.329 ( 1.193 -2.132 -1.016) 2.646 30.361 ( 3.836 -0.713 1.706) 4.258 30.507 ( 4.797 -3.145 13.417) 14.592 30.621 ( 10.389 -5.147 -11.310) 16.197 31.306 ( -5.940 5.142 -0.145) 7.858 31.381 ( -1.554 4.275 1.128) 4.687 31.548 ( -8.588 -4.488 -0.127) 9.690 31.564 ( -8.412 -2.668 -4.382) 9.853 31.831 ( -4.372 2.752 -0.867) 5.238 31.885 ( -4.588 3.163 0.404) 5.587 32.021 ( -1.733 -2.700 -3.197) 4.529 32.113 ( 1.618 -6.515 6.523) 9.360 32.219 ( 12.441 0.070 7.259) 14.404 32.260 ( 10.947 -1.418 -0.557) 11.052 32.339 ( 13.429 0.617 0.077) 13.443 32.352 ( 13.727 0.252 -3.419) 14.149 33.168 ( -0.716 0.361 -0.791) 1.126 33.172 ( -0.549 0.382 0.403) 0.780 33.448 ( -2.874 -1.618 -1.796) 3.756 33.461 ( -2.520 -1.697 3.149) 4.376 34.200 ( -7.157 3.109 -5.042) 9.291 34.321 ( -5.476 -2.490 -6.373) 8.763 34.462 ( 5.766 2.877 0.371) 6.455 34.546 ( 5.407 -1.072 2.260) 5.958 34.927 ( -2.640 2.643 3.980) 5.458 35.011 ( 2.791 -0.466 -0.856) 2.956 35.078 ( -0.747 -0.066 1.830) 1.978 35.129 ( 2.511 -1.940 -2.771) 4.213 35.316 ( -0.192 0.407 0.214) 0.498 35.353 ( 2.047 1.804 -1.473) 3.101 35.380 ( -1.977 -2.513 0.090) 3.198 35.433 ( 1.139 -1.609 -0.015) 1.971 37.034 ( -2.721 11.229 -21.378) 24.300 37.039 ( -5.304 10.298 21.670) 24.572 37.895 ( -15.444 -13.170 10.587) 22.892 37.952 ( -10.986 -14.925 -9.618) 20.880 ======================= Grid point 101 (54/69) ======================= q-point: ( 0.22 0.25 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.261 ( 15.243 5.210 -14.501) 21.674 1.410 ( 12.249 9.739 -5.630) 16.631 1.539 ( 12.671 -3.013 5.147) 14.004 1.582 ( 5.886 -4.575 -0.326) 7.462 1.668 ( 8.177 -0.526 0.176) 8.195 1.741 ( 9.315 2.999 5.381) 11.168 1.925 ( 5.747 2.664 -3.856) 7.416 2.077 ( 2.283 3.129 -8.774) 9.591 2.119 ( 3.993 -4.055 -4.146) 7.041 2.220 ( 3.302 -5.556 -9.363) 11.377 2.245 ( -1.808 -2.867 -8.251) 8.920 2.354 ( 0.303 0.961 3.061) 3.223 2.460 ( 0.705 -1.003 -0.572) 1.353 2.488 ( 2.334 -0.762 6.923) 7.346 2.623 ( -7.621 3.818 -4.204) 9.504 2.645 ( 4.052 0.708 -5.996) 7.272 2.669 ( 0.415 3.540 0.740) 3.640 2.797 ( 3.059 1.322 -0.587) 3.384 2.818 ( 4.706 -0.670 -0.528) 4.783 2.897 ( 1.893 -1.128 0.276) 2.221 2.938 ( 2.671 0.894 2.135) 3.534 3.031 ( 1.735 -4.622 5.292) 7.237 3.062 ( -0.559 0.004 3.488) 3.532 3.101 ( 6.557 -2.152 1.958) 7.174 3.144 ( 2.051 7.053 1.123) 7.431 3.190 ( 3.834 -0.023 1.339) 4.061 3.290 ( 3.503 4.773 -0.996) 6.004 3.381 ( 2.884 2.833 -1.385) 4.273 3.466 ( 6.403 -1.776 -0.140) 6.646 3.494 ( -1.596 0.083 -2.671) 3.113 3.604 ( 2.362 -0.534 0.810) 2.554 3.677 ( 2.274 2.461 2.702) 4.304 3.771 ( -2.115 -0.894 -3.034) 3.804 3.800 ( 2.296 3.120 -2.245) 4.477 3.854 ( 0.611 -1.759 -6.099) 6.377 3.941 ( -1.152 0.571 -6.884) 7.003 4.086 ( 3.715 -3.443 -5.541) 7.507 4.175 ( 0.397 2.387 4.499) 5.108 4.234 ( -2.752 3.981 -0.873) 4.918 4.292 ( 0.523 -2.195 -5.036) 5.518 4.386 ( 0.061 0.084 -1.663) 1.666 4.459 ( -1.862 -0.914 1.714) 2.691 4.487 ( -0.714 -1.164 -0.862) 1.615 4.540 ( 1.380 1.374 6.188) 6.487 4.583 ( 0.463 -0.029 7.962) 7.976 4.634 ( 0.648 -3.635 -2.807) 4.638 4.698 ( -3.617 -3.950 3.135) 6.206 4.785 ( 0.652 -3.102 4.111) 5.191 4.840 ( -2.613 1.003 8.891) 9.321 4.966 ( 0.061 4.795 3.661) 6.033 5.036 ( -5.642 0.874 -1.013) 5.798 5.058 ( 2.627 -4.045 3.434) 5.921 5.120 ( -3.208 3.363 -2.471) 5.264 5.185 ( 1.664 4.047 -0.526) 4.407 5.268 ( 2.864 -2.835 3.584) 5.393 5.318 ( -0.137 1.077 -1.720) 2.034 5.398 ( 0.442 -1.029 -1.929) 2.230 5.412 ( -1.023 -0.133 -1.405) 1.743 5.498 ( -2.684 -3.208 0.903) 4.280 5.505 ( -4.857 -2.831 -1.566) 5.835 5.863 ( 7.836 -1.524 0.251) 7.986 5.897 ( 3.032 -4.052 1.113) 5.181 6.021 ( -0.484 -1.993 -0.577) 2.131 6.079 ( 0.098 -2.569 -0.509) 2.621 6.135 ( 0.920 3.936 -0.226) 4.048 6.184 ( 0.569 0.501 -3.688) 3.765 6.243 ( 1.895 0.989 3.037) 3.714 6.394 ( 4.382 -3.450 5.736) 8.000 6.432 ( -1.952 -0.714 1.020) 2.315 6.547 ( -0.707 -3.520 -0.744) 3.667 6.595 ( -2.068 3.528 -1.325) 4.299 6.713 ( 1.517 2.157 0.173) 2.643 6.778 ( 1.308 -1.647 -0.344) 2.131 6.799 ( 0.924 -0.204 -3.885) 3.999 6.927 ( -2.110 -1.135 -1.338) 2.744 7.098 ( -2.239 -6.475 0.501) 6.869 7.950 ( -20.701 2.313 0.290) 20.832 7.967 ( -19.605 3.398 0.015) 19.897 8.119 ( -22.543 -3.457 2.187) 22.912 8.250 ( -14.641 -7.712 -1.767) 16.642 8.645 ( 3.115 5.915 -0.921) 6.749 8.763 ( -0.361 3.335 -0.984) 3.495 8.887 ( 1.216 -1.018 1.105) 1.933 8.893 ( -0.111 -1.191 0.975) 1.543 9.030 ( 5.242 -3.380 -1.526) 6.421 9.083 ( 5.621 -3.302 1.135) 6.617 9.117 ( 1.247 -2.152 1.549) 2.930 9.157 ( 3.156 -3.549 0.314) 4.760 9.327 ( 4.366 3.191 -0.342) 5.418 9.341 ( 4.053 4.254 2.247) 6.290 9.449 ( 1.512 -0.633 -0.054) 1.640 9.477 ( 5.238 -1.941 -0.800) 5.643 9.717 ( -2.927 2.752 -0.874) 4.112 9.791 ( 1.554 -0.005 -6.305) 6.494 9.886 ( -8.446 -0.197 1.565) 8.592 9.944 ( -11.432 -0.216 1.146) 11.491 10.030 ( -9.886 1.835 -0.326) 10.060 10.097 ( -5.826 3.341 -0.355) 6.725 10.195 ( -10.937 -2.072 1.220) 11.198 10.226 ( -2.822 -2.725 2.263) 4.529 10.570 ( -6.982 2.226 1.098) 7.410 10.586 ( -5.052 3.080 -0.020) 5.917 10.730 ( -4.360 -1.933 -0.504) 4.796 10.781 ( -7.497 -3.341 0.384) 8.217 11.331 ( 10.695 -0.668 0.072) 10.716 11.360 ( 9.400 -1.773 0.200) 9.568 11.409 ( 6.437 0.307 -0.678) 6.480 11.463 ( 6.760 -0.621 0.277) 6.794 11.793 ( -1.028 2.322 0.380) 2.568 11.829 ( -4.895 -0.294 -1.170) 5.041 11.856 ( -0.985 0.237 1.703) 1.982 11.929 ( -2.814 0.838 -1.540) 3.316 12.017 ( -0.990 -0.029 2.213) 2.425 12.029 ( -0.131 1.719 1.870) 2.543 12.092 ( 3.064 0.756 -2.956) 4.324 12.200 ( -0.546 -1.741 -0.805) 1.994 12.585 ( 3.814 4.881 1.365) 6.343 12.599 ( 4.784 4.465 -0.205) 6.547 12.744 ( 1.376 -1.768 -0.313) 2.262 12.787 ( 0.513 -3.719 -0.570) 3.797 13.137 ( 3.260 5.129 0.044) 6.078 13.170 ( 4.617 5.684 -0.349) 7.331 13.476 ( 7.888 -10.558 1.448) 13.258 13.491 ( 8.663 -8.561 -0.112) 12.180 13.863 ( -3.953 9.307 -0.064) 10.112 13.913 ( -2.633 6.635 0.647) 7.168 14.037 ( -2.040 -2.101 -1.072) 3.118 14.064 ( -3.709 -1.961 0.554) 4.232 14.218 ( 1.446 10.572 -1.954) 10.848 14.294 ( -2.387 12.229 2.780) 12.766 14.538 ( -0.293 -2.390 -0.422) 2.445 14.587 ( 0.265 -1.983 -0.721) 2.126 14.808 ( 10.673 5.201 -1.184) 11.931 14.853 ( 8.368 5.321 1.709) 10.063 15.063 ( 10.194 -3.303 -0.530) 10.729 15.096 ( 13.458 -3.337 0.689) 13.883 15.190 ( 11.240 1.918 0.168) 11.404 15.249 ( 5.777 0.910 0.488) 5.869 15.370 ( -4.786 -4.383 -1.718) 6.713 15.373 ( -7.491 -3.970 1.319) 8.580 15.568 ( 3.689 -0.342 -1.040) 3.848 15.604 ( 0.509 -2.773 -4.514) 5.322 15.716 ( 6.062 2.483 4.336) 7.855 15.811 ( -1.665 -2.359 4.012) 4.943 16.279 ( 2.150 -0.539 -0.931) 2.404 16.294 ( 1.302 -1.403 -0.129) 1.918 16.371 ( 2.680 2.405 1.296) 3.827 16.432 ( 3.175 -0.262 3.430) 4.681 17.049 ( 1.008 1.432 -0.485) 1.817 17.082 ( 1.488 0.442 0.943) 1.817 17.129 ( 0.712 -0.613 0.309) 0.989 17.139 ( 0.899 -0.763 -1.773) 2.129 19.536 ( 3.881 -0.467 -1.817) 4.311 19.563 ( 4.984 -0.867 2.009) 5.443 19.757 ( 4.388 -0.749 0.514) 4.481 19.787 ( 6.188 -1.472 2.242) 6.744 20.353 ( -9.046 1.795 2.098) 9.458 20.427 ( -8.229 -1.163 -0.476) 8.325 20.549 ( -6.110 1.543 -0.091) 6.302 20.625 ( -4.704 -1.613 -0.550) 5.003 21.726 ( 8.939 0.996 -1.771) 9.167 21.737 ( 10.326 1.191 -1.358) 10.483 21.877 ( 9.498 -0.638 1.162) 9.590 21.898 ( 9.505 -0.477 0.528) 9.531 22.706 ( -8.512 0.769 0.432) 8.557 22.805 ( -5.675 -3.576 0.600) 6.735 22.975 ( -11.574 -0.636 0.199) 11.593 23.018 ( -10.310 -1.912 -0.553) 10.500 26.811 ( 15.132 1.642 -0.358) 15.225 26.885 ( 16.820 3.741 1.843) 17.330 26.943 ( 19.281 -2.521 -4.048) 19.862 27.151 ( 24.450 -8.039 9.450) 27.418 28.750 ( -22.118 7.127 0.929) 23.257 28.793 ( -23.416 7.897 0.193) 24.712 29.047 ( -22.539 -3.822 0.453) 22.865 29.068 ( -19.470 -5.708 -2.259) 20.415 30.059 ( 13.705 7.050 -0.399) 15.418 30.158 ( 11.536 11.908 3.022) 16.853 30.260 ( 7.559 -0.970 -2.229) 7.940 30.347 ( 2.694 -1.193 -1.044) 3.126 30.425 ( 4.703 3.248 -0.373) 5.728 30.489 ( 10.626 3.395 5.654) 12.507 30.666 ( 10.846 -5.612 -7.105) 14.128 30.774 ( 6.705 -4.417 11.831) 14.298 31.178 ( -9.671 5.661 0.314) 11.210 31.303 ( -9.706 -0.572 0.300) 9.727 31.365 ( -7.368 0.640 -2.320) 7.751 31.483 ( -9.870 -3.239 7.592) 12.867 31.811 ( 1.303 4.275 1.210) 4.630 31.855 ( 0.840 5.983 0.542) 6.066 31.984 ( 0.661 -2.901 -1.034) 3.150 32.237 ( 3.660 -7.766 7.460) 11.374 32.449 ( 12.305 1.596 1.263) 12.472 32.519 ( 11.234 -1.834 8.934) 14.470 32.546 ( 15.067 0.587 -2.607) 15.302 32.580 ( 13.507 -0.933 4.172) 14.167 33.131 ( -1.757 0.399 -3.059) 3.551 33.164 ( -1.207 -0.683 1.265) 1.877 33.390 ( -4.255 0.783 2.570) 5.032 33.467 ( -5.277 -2.220 6.719) 8.828 34.039 ( -5.220 2.586 -4.576) 7.408 34.130 ( -6.330 -1.304 -7.952) 10.247 34.546 ( 4.960 1.548 -1.750) 5.482 34.612 ( 3.474 -1.244 -2.626) 4.529 34.939 ( -2.270 3.655 4.801) 6.447 35.049 ( 3.489 0.611 -1.823) 3.984 35.089 ( -0.810 -1.144 2.681) 3.025 35.142 ( 2.855 -3.060 -1.876) 4.586 35.306 ( 0.549 -0.612 -2.305) 2.447 35.338 ( -0.655 -1.705 -2.926) 3.450 35.376 ( 0.895 1.844 -0.005) 2.050 35.446 ( 0.595 -1.262 -0.267) 1.420 36.730 ( -0.064 12.368 -25.174) 28.049 37.121 ( -9.485 2.699 11.421) 15.089 37.584 ( -16.735 -10.165 -14.303) 24.248 37.730 ( -20.068 -8.913 9.504) 23.927 ======================= Grid point 102 (55/69) ======================= q-point: ( 0.33 0.25 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.323 ( 13.509 3.693 -4.078) 14.587 1.494 ( 10.639 11.488 -6.327) 16.888 1.579 ( 6.838 -5.355 -4.854) 9.950 1.776 ( 4.019 1.189 2.114) 4.694 1.852 ( 4.926 -4.084 -0.978) 6.473 1.925 ( 2.016 -0.642 7.437) 7.732 1.974 ( 2.086 -2.136 -5.071) 5.884 2.065 ( 5.936 0.409 -13.033) 14.327 2.105 ( 4.387 1.110 -3.183) 5.532 2.195 ( 9.211 1.817 -4.137) 10.259 2.273 ( 8.901 -1.032 -0.473) 8.973 2.393 ( -1.265 1.199 -3.404) 3.824 2.429 ( 1.206 -3.818 2.539) 4.741 2.524 ( 1.598 -1.313 1.095) 2.340 2.609 ( 4.118 0.596 0.645) 4.211 2.655 ( 3.192 0.409 -2.309) 3.961 2.720 ( 3.635 2.826 -1.858) 4.965 2.784 ( 0.316 1.262 -1.548) 2.022 2.820 ( 0.807 1.704 1.065) 2.166 2.925 ( 1.212 -0.571 -3.501) 3.748 2.989 ( 1.105 -4.447 2.792) 5.366 3.071 ( 0.255 0.127 3.343) 3.355 3.128 ( 3.603 -4.568 2.037) 6.164 3.153 ( 0.989 5.846 0.896) 5.996 3.166 ( -0.767 -0.483 2.829) 2.971 3.328 ( 3.545 -2.714 1.485) 4.705 3.365 ( 6.701 4.212 0.653) 7.941 3.417 ( -2.092 -0.103 1.585) 2.627 3.487 ( 6.470 4.377 2.590) 8.230 3.540 ( 3.927 2.299 -1.478) 4.785 3.620 ( -2.364 0.015 0.044) 2.364 3.676 ( 1.760 1.251 -1.206) 2.474 3.726 ( 2.284 0.586 -3.622) 4.322 3.814 ( 2.697 1.207 -1.575) 3.348 3.850 ( 3.325 4.907 -7.824) 9.816 4.032 ( 13.929 1.054 3.160) 14.322 4.042 ( -0.878 -6.021 -1.367) 6.236 4.202 ( 0.650 1.466 -0.398) 1.652 4.251 ( 0.394 -1.179 1.911) 2.280 4.277 ( 2.181 0.487 -1.939) 2.959 4.315 ( -1.953 -6.690 -2.451) 7.388 4.481 ( -0.855 -2.031 1.040) 2.437 4.486 ( -2.775 -0.002 2.851) 3.979 4.519 ( -5.183 1.245 0.166) 5.333 4.573 ( -3.545 -1.263 -4.308) 5.720 4.641 ( 0.354 -1.392 1.215) 1.882 4.694 ( -4.717 -1.653 2.451) 5.567 4.785 ( -3.907 -3.041 5.584) 7.463 4.880 ( -3.191 3.948 -5.107) 7.200 4.955 ( -2.232 3.604 6.725) 7.950 5.014 ( -0.805 2.616 5.196) 5.873 5.054 ( -1.616 5.132 -1.040) 5.480 5.147 ( -0.060 -0.740 4.174) 4.239 5.224 ( 1.746 4.805 4.177) 6.602 5.266 ( -0.632 -2.238 -4.235) 4.832 5.318 ( -2.637 4.777 5.176) 7.521 5.385 ( 1.767 -1.523 -1.248) 2.645 5.415 ( -2.670 -1.156 0.104) 2.912 5.466 ( 2.620 -4.571 3.799) 6.496 5.544 ( 4.726 -3.609 2.937) 6.632 5.915 ( -1.111 -1.548 -1.902) 2.693 5.988 ( 5.324 -3.058 1.211) 6.257 6.052 ( 2.941 -0.003 -0.510) 2.985 6.080 ( 2.087 -2.085 -4.293) 5.209 6.109 ( 3.226 -2.139 0.336) 3.885 6.170 ( 0.813 -2.010 -3.108) 3.789 6.264 ( -2.351 3.850 0.097) 4.512 6.411 ( -2.276 0.458 0.273) 2.337 6.461 ( 1.903 -0.829 -1.116) 2.357 6.542 ( -0.606 -3.901 0.416) 3.969 6.569 ( -1.024 1.204 0.127) 1.586 6.665 ( -2.952 -0.593 -0.451) 3.045 6.827 ( 4.770 0.617 1.346) 4.994 6.890 ( 7.963 -1.467 -0.301) 8.103 6.934 ( 6.025 2.166 -1.576) 6.594 7.099 ( 1.227 -4.768 1.158) 5.057 7.639 ( -19.222 1.203 0.814) 19.277 7.675 ( -17.953 3.089 0.089) 18.217 7.796 ( -20.860 -0.970 2.941) 21.088 8.013 ( -13.827 -7.523 -1.133) 15.782 8.680 ( 2.305 5.444 -0.702) 5.953 8.746 ( -0.128 4.046 -1.308) 4.254 8.888 ( -1.777 -0.014 2.152) 2.791 8.911 ( 1.360 -1.379 -0.933) 2.150 9.070 ( 2.999 -1.883 -1.525) 3.856 9.148 ( 1.401 -4.573 1.839) 5.124 9.157 ( 1.409 -1.059 1.169) 2.115 9.200 ( 1.753 -3.651 0.275) 4.060 9.389 ( 1.198 4.184 2.451) 4.995 9.418 ( 6.791 2.133 -3.145) 7.782 9.496 ( 1.523 -0.868 2.699) 3.219 9.539 ( 4.550 -2.680 -1.191) 5.414 9.647 ( -4.937 1.776 -0.982) 5.337 9.710 ( -9.384 -0.010 -0.247) 9.387 9.773 ( -6.214 3.480 -1.354) 7.250 9.801 ( -2.217 -0.985 -1.925) 3.097 9.861 ( -7.182 0.024 -2.521) 7.612 9.959 ( -9.296 -1.688 -3.002) 9.914 10.101 ( -4.897 1.669 2.655) 5.816 10.204 ( -3.832 -3.127 0.846) 5.018 10.501 ( -3.631 2.344 1.563) 4.596 10.526 ( -2.918 2.597 0.285) 3.917 10.661 ( -5.775 -2.882 0.415) 6.468 10.677 ( -3.014 -2.029 -0.727) 3.705 11.455 ( 4.871 -0.591 0.215) 4.911 11.485 ( 6.596 -0.639 -0.123) 6.628 11.504 ( 5.883 0.432 -0.124) 5.900 11.551 ( 4.850 -0.234 -0.475) 4.879 11.750 ( -3.086 0.991 -0.766) 3.331 11.771 ( -2.278 0.175 1.216) 2.588 11.866 ( -0.578 2.311 0.594) 2.455 11.870 ( -2.649 1.463 -0.773) 3.124 12.018 ( -1.560 -1.048 0.694) 2.003 12.044 ( 0.983 -2.056 -0.217) 2.289 12.140 ( 4.791 -2.155 -1.201) 5.388 12.187 ( 0.361 -1.950 -0.084) 1.985 12.634 ( 1.992 2.973 -0.881) 3.685 12.662 ( 3.112 3.720 0.210) 4.855 12.762 ( 0.032 -2.490 -0.579) 2.556 12.778 ( -0.564 -2.185 0.634) 2.344 13.203 ( 5.195 7.229 0.056) 8.902 13.246 ( 5.480 7.832 -0.397) 9.567 13.523 ( -1.808 -4.736 0.262) 5.076 13.547 ( -1.105 -3.225 -0.102) 3.410 13.886 ( 5.611 4.588 0.278) 7.253 13.950 ( 4.084 0.307 -0.100) 4.097 14.022 ( 3.663 -0.375 -0.263) 3.691 14.063 ( 1.586 -1.083 0.092) 1.923 14.207 ( 0.506 9.784 -1.283) 9.881 14.254 ( -4.259 9.163 0.883) 10.143 14.466 ( -6.210 -1.887 -1.005) 6.567 14.565 ( -4.368 -1.950 -0.102) 4.784 14.914 ( 4.356 1.550 -1.150) 4.764 14.958 ( 2.832 1.439 1.404) 3.473 15.146 ( -0.253 -6.217 -1.199) 6.337 15.197 ( -2.649 -5.485 0.557) 6.117 15.248 ( 1.797 0.097 -0.465) 1.858 15.307 ( 6.492 -0.043 -0.829) 6.545 15.358 ( 1.693 -2.238 0.420) 2.837 15.393 ( 5.764 -1.599 0.088) 5.982 15.639 ( 7.907 1.029 -0.664) 8.002 15.685 ( 9.742 -0.849 0.595) 9.797 15.824 ( 0.258 1.355 1.422) 1.981 15.866 ( 4.476 -0.232 3.904) 5.943 16.287 ( -0.441 -0.828 -0.143) 0.949 16.304 ( 0.674 -1.850 0.153) 1.975 16.397 ( -0.787 2.452 0.880) 2.722 16.453 ( -4.259 -0.177 1.900) 4.666 17.064 ( 1.648 1.467 -0.795) 2.346 17.119 ( 0.567 0.700 0.346) 0.965 17.133 ( 2.513 -1.338 -1.600) 3.265 17.151 ( 0.491 -0.648 1.252) 1.493 19.606 ( 7.109 0.700 -0.751) 7.183 19.676 ( 7.034 -2.004 1.159) 7.405 19.857 ( 6.226 1.302 1.376) 6.508 19.926 ( 6.791 -1.529 2.410) 7.367 20.230 ( -9.671 1.200 2.146) 9.978 20.275 ( -9.260 -0.447 -1.452) 9.383 20.457 ( -6.377 1.214 1.492) 6.661 20.535 ( -6.215 -1.907 0.243) 6.505 21.872 ( 11.971 2.151 -1.309) 12.233 21.907 ( 12.005 1.913 -0.088) 12.157 22.042 ( 10.236 -1.335 0.486) 10.334 22.059 ( 10.839 -1.039 -0.226) 10.891 22.570 ( -9.391 1.538 0.578) 9.534 22.694 ( -9.014 -2.605 -0.324) 9.388 22.799 ( -11.196 -1.629 0.527) 11.326 22.837 ( -11.262 -1.690 -1.035) 11.435 27.058 ( 17.152 2.692 -0.603) 17.373 27.177 ( 17.082 6.883 1.427) 18.472 27.222 ( 21.150 -3.894 -1.810) 21.582 27.608 ( 17.550 -13.625 9.327) 24.096 28.442 ( -21.350 6.971 -0.399) 22.463 28.446 ( -19.111 6.407 1.875) 20.244 28.683 ( -24.532 -4.342 1.482) 24.957 28.761 ( -16.226 -6.752 -1.643) 17.651 30.227 ( 8.587 3.706 -0.260) 9.357 30.307 ( 8.005 5.505 -0.853) 9.752 30.368 ( 4.817 -2.200 0.650) 5.335 30.384 ( 3.443 -0.564 -0.982) 3.625 30.536 ( 10.585 5.733 0.732) 12.060 30.678 ( 6.484 4.406 1.848) 8.054 30.803 ( 11.238 -2.436 0.943) 11.538 30.925 ( -1.178 -3.385 3.952) 5.335 31.066 ( -6.877 1.053 4.278) 8.167 31.142 ( -10.114 -1.859 0.225) 10.286 31.259 ( -6.080 3.389 2.710) 7.469 31.402 ( -11.574 -2.534 7.709) 14.135 31.857 ( 2.794 3.604 -0.637) 4.604 31.905 ( 0.610 9.074 4.944) 10.352 32.054 ( 6.274 -2.727 4.628) 8.260 32.376 ( 2.981 -8.514 7.814) 11.934 32.622 ( 8.020 3.607 -0.796) 8.829 32.710 ( -1.627 -1.636 4.962) 5.472 32.745 ( 12.900 -0.076 -0.643) 12.916 32.778 ( 13.095 0.045 -1.384) 13.168 33.057 ( -1.867 1.741 -3.838) 4.610 33.171 ( -1.922 -2.776 3.602) 4.937 33.354 ( -5.986 1.225 4.155) 7.389 33.425 ( -8.944 -1.740 4.272) 10.063 33.992 ( 1.531 1.256 3.084) 3.665 34.027 ( 0.916 -0.273 -0.026) 0.956 34.568 ( 2.654 0.499 -4.929) 5.620 34.599 ( 1.606 -0.759 -6.550) 6.787 34.958 ( -2.143 3.671 4.714) 6.348 35.060 ( 1.962 0.818 -3.540) 4.129 35.118 ( -0.192 -1.166 3.457) 3.653 35.180 ( 2.696 -3.054 0.552) 4.111 35.278 ( -0.259 -1.485 -3.063) 3.414 35.300 ( 1.043 -1.114 -4.424) 4.680 35.373 ( -0.069 1.949 -1.988) 2.785 35.433 ( -0.735 -1.020 -2.526) 2.822 36.547 ( 9.581 10.132 -18.435) 23.115 37.006 ( -7.009 -6.269 -5.212) 10.751 37.235 ( -11.753 1.217 -7.324) 13.902 37.491 ( -21.721 -6.318 5.565) 23.296 ======================= Grid point 103 (56/69) ======================= q-point: ( 0.44 0.25 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.534 ( 10.921 3.185 -1.521) 11.477 1.650 ( 7.008 3.120 1.468) 7.810 1.668 ( 7.908 2.118 -0.837) 8.230 1.737 ( -3.146 2.546 0.788) 4.123 1.853 ( -1.999 -2.415 -6.369) 7.099 1.899 ( -3.392 1.894 -4.371) 5.848 1.932 ( 5.019 -4.613 -0.731) 6.856 2.066 ( 3.106 -2.850 1.940) 4.641 2.171 ( 6.524 3.766 -0.133) 7.534 2.254 ( -6.083 0.242 1.846) 6.362 2.288 ( 3.235 3.149 -0.998) 4.624 2.435 ( -6.081 -2.546 -4.010) 7.717 2.461 ( 1.794 1.233 -6.255) 6.623 2.510 ( 0.135 2.321 -7.615) 7.962 2.577 ( 2.317 -5.121 -0.057) 5.622 2.670 ( 2.548 -1.945 -2.395) 4.002 2.762 ( 3.442 0.676 4.714) 5.876 2.875 ( 1.061 -1.405 4.126) 4.486 2.918 ( 4.040 -2.846 1.468) 5.155 2.963 ( 11.869 -1.770 -3.903) 12.619 3.038 ( -2.623 -2.245 -0.622) 3.508 3.053 ( -1.418 -1.038 3.580) 3.988 3.101 ( -2.081 1.368 4.513) 5.155 3.202 ( 0.574 3.262 -0.134) 3.315 3.240 ( 1.205 -0.371 0.175) 1.273 3.276 ( -1.433 0.698 -2.869) 3.282 3.457 ( 1.677 2.886 3.114) 4.564 3.504 ( 0.046 0.171 5.005) 5.008 3.551 ( -2.485 -0.453 5.761) 6.290 3.571 ( 3.922 2.702 -1.219) 4.916 3.616 ( 0.477 0.471 -0.398) 0.780 3.655 ( 0.704 6.774 -3.830) 7.813 3.768 ( 7.670 -0.359 -3.465) 8.424 3.819 ( 0.682 3.551 -1.092) 3.778 3.952 ( 7.579 -0.264 4.663) 8.902 4.070 ( 3.798 -2.395 2.742) 5.261 4.171 ( -2.012 2.479 1.137) 3.389 4.213 ( 3.064 -1.035 -0.348) 3.253 4.231 ( -1.157 4.188 -2.333) 4.931 4.286 ( -0.489 -1.421 -2.197) 2.662 4.342 ( 1.301 -6.621 1.269) 6.866 4.365 ( -2.502 1.344 -3.498) 4.506 4.411 ( -0.146 -0.841 -4.894) 4.968 4.511 ( -1.708 -2.506 -2.313) 3.814 4.542 ( -1.755 -4.625 0.378) 4.962 4.579 ( -5.542 -2.027 2.446) 6.388 4.660 ( -0.150 1.007 -0.409) 1.097 4.754 ( -4.557 8.065 -3.173) 9.791 4.815 ( 1.084 -1.588 2.708) 3.321 4.913 ( -5.863 1.630 1.404) 6.245 5.041 ( -0.816 4.783 2.249) 5.348 5.068 ( -2.565 1.381 3.241) 4.358 5.180 ( 1.627 2.490 3.148) 4.330 5.260 ( 1.520 0.528 0.034) 1.609 5.298 ( 0.266 0.628 1.720) 1.851 5.314 ( -1.601 -0.841 0.420) 1.857 5.371 ( -1.786 -0.266 4.978) 5.295 5.437 ( 4.015 0.127 0.317) 4.030 5.593 ( 3.569 -4.405 5.889) 8.174 5.639 ( 1.844 -4.643 3.594) 6.154 5.891 ( 0.117 -0.091 0.778) 0.792 6.001 ( -1.470 0.535 -2.529) 2.973 6.049 ( -0.328 -1.359 -1.812) 2.289 6.069 ( 2.207 -2.807 -6.743) 7.630 6.127 ( 0.103 -2.345 -1.091) 2.589 6.170 ( -1.821 -0.061 -0.662) 1.938 6.268 ( 5.905 -0.976 -0.944) 6.059 6.359 ( -3.449 -2.272 -1.386) 4.356 6.490 ( 3.159 0.592 -0.442) 3.245 6.524 ( -1.789 -1.653 0.959) 2.618 6.573 ( 1.427 1.369 0.921) 2.181 6.627 ( -3.432 -0.668 0.091) 3.498 6.908 ( 5.179 1.448 1.260) 5.523 6.996 ( 2.901 -0.644 -1.666) 3.406 7.032 ( 7.114 0.223 -0.699) 7.151 7.105 ( -3.886 -1.741 0.576) 4.297 7.421 ( -9.629 1.015 2.201) 9.930 7.459 ( -7.480 2.738 -0.672) 7.993 7.627 ( -4.295 -2.375 5.246) 7.184 7.814 ( -9.181 -7.378 -1.689) 11.898 8.698 ( 1.370 5.301 -0.822) 5.537 8.727 ( -0.382 4.712 -1.540) 4.972 8.885 ( -1.747 0.725 2.222) 2.918 8.918 ( 1.295 -0.558 -1.263) 1.893 9.111 ( 4.018 -0.962 -0.365) 4.148 9.166 ( -1.545 -0.928 0.410) 1.848 9.184 ( 0.258 -4.416 1.994) 4.852 9.220 ( 1.045 -2.968 -0.314) 3.162 9.420 ( -2.300 4.645 3.660) 6.345 9.476 ( 6.736 1.516 -4.747) 8.378 9.505 ( -6.073 1.049 2.398) 6.613 9.545 ( 1.535 -0.820 -1.654) 2.401 9.576 ( -2.848 -0.225 -1.109) 3.064 9.595 ( -5.372 0.527 1.022) 5.494 9.694 ( -0.770 -2.033 -0.666) 2.273 9.739 ( -3.628 -1.722 -1.735) 4.375 9.821 ( 4.593 0.105 -2.750) 5.354 9.854 ( -0.811 -0.577 -1.015) 1.421 10.053 ( -3.014 0.677 0.860) 3.207 10.122 ( -5.226 -2.426 -1.568) 5.971 10.477 ( -1.992 3.212 1.356) 4.016 10.498 ( -0.648 3.231 -0.419) 3.322 10.613 ( -1.073 -2.976 1.219) 3.390 10.645 ( -0.879 -2.900 -0.537) 3.077 11.503 ( 1.575 1.151 0.525) 2.020 11.537 ( 0.465 1.222 -0.611) 1.443 11.579 ( 4.054 -1.697 0.607) 4.437 11.614 ( 2.038 -1.686 0.037) 2.645 11.725 ( 0.411 1.756 0.195) 1.814 11.758 ( -0.948 0.120 1.468) 1.752 11.833 ( -1.157 0.680 -0.805) 1.565 11.833 ( -2.595 2.107 -1.569) 3.693 11.998 ( -1.547 -0.511 1.236) 2.045 12.046 ( 0.542 -2.873 -1.585) 3.325 12.193 ( 3.057 -3.290 -0.621) 4.534 12.204 ( 0.770 -2.893 0.235) 3.003 12.647 ( 1.370 1.611 -0.592) 2.196 12.683 ( -0.449 1.721 -1.042) 2.061 12.747 ( 0.405 -0.928 0.392) 1.085 12.777 ( -1.323 -1.042 0.383) 1.727 13.287 ( 4.525 7.365 0.197) 8.647 13.313 ( 2.813 7.639 -0.392) 8.150 13.482 ( -2.626 1.549 0.358) 3.069 13.503 ( -2.540 2.358 -0.690) 3.534 13.961 ( 2.712 2.138 0.298) 3.466 13.995 ( 2.112 2.187 -0.822) 3.149 14.074 ( -0.004 2.928 0.607) 2.991 14.106 ( 2.479 1.597 -0.353) 2.970 14.233 ( 5.157 1.232 -1.165) 5.428 14.259 ( 5.752 3.695 0.980) 6.906 14.343 ( -8.199 -2.089 0.076) 8.461 14.449 ( -8.681 -2.819 -1.446) 9.241 14.957 ( 3.250 -1.202 -0.070) 3.466 14.990 ( 0.753 -1.307 0.132) 1.514 15.090 ( -3.476 -4.827 0.239) 5.953 15.119 ( -4.626 -6.492 -0.621) 7.996 15.322 ( 5.334 0.652 -0.462) 5.393 15.370 ( -0.899 -0.044 -0.032) 0.901 15.396 ( 4.639 0.225 -0.084) 4.645 15.438 ( 0.248 -0.453 -0.317) 0.606 15.760 ( 5.614 1.219 0.777) 5.797 15.813 ( 3.076 -0.853 0.161) 3.196 15.854 ( 3.863 0.939 0.659) 4.030 15.920 ( -0.993 -1.428 1.037) 2.025 16.283 ( 0.537 -0.077 0.721) 0.902 16.323 ( 0.106 -1.984 1.048) 2.246 16.368 ( -4.216 1.048 0.334) 4.357 16.388 ( -1.895 0.670 -0.637) 2.109 17.077 ( 1.045 1.075 -0.573) 1.605 17.103 ( -0.743 0.219 -1.226) 1.450 17.166 ( 0.144 -0.397 1.059) 1.140 17.172 ( 1.860 -0.679 -0.086) 1.982 19.727 ( 8.238 1.011 0.094) 8.300 19.789 ( 4.981 -1.436 -0.078) 5.184 19.927 ( 0.843 1.130 0.462) 1.484 19.987 ( -2.221 -1.320 -0.201) 2.592 20.130 ( -5.440 0.750 2.975) 6.246 20.156 ( -3.229 -0.293 -0.258) 3.253 20.404 ( -2.437 0.852 2.295) 3.455 20.460 ( -2.839 -1.416 -0.197) 3.179 22.033 ( 8.039 2.697 -0.209) 8.482 22.060 ( 5.749 3.108 -0.126) 6.537 22.189 ( 7.003 -2.546 0.892) 7.505 22.212 ( 8.165 -3.142 -0.471) 8.761 22.454 ( -4.882 1.649 0.481) 5.176 22.536 ( -8.742 -1.029 -1.635) 8.953 22.662 ( -6.377 -1.466 0.901) 6.605 22.679 ( -6.493 -1.208 -0.503) 6.623 27.300 ( 12.859 4.194 0.167) 13.527 27.385 ( 6.012 7.118 -0.006) 9.317 27.536 ( 18.864 -5.079 1.252) 19.576 27.797 ( -2.947 -10.278 0.453) 10.702 28.174 ( -10.319 5.028 -0.133) 11.479 28.206 ( -12.436 5.829 0.125) 13.735 28.433 ( -8.264 -5.750 5.499) 11.472 28.557 ( -7.786 -7.869 -0.967) 11.112 30.325 ( 4.522 1.870 -0.091) 4.894 30.372 ( 0.440 1.818 -0.568) 1.955 30.415 ( 3.069 -0.187 -1.094) 3.263 30.424 ( 1.363 0.436 -0.088) 1.433 30.737 ( 11.077 3.711 1.736) 11.810 30.767 ( 3.276 2.564 0.970) 4.272 30.881 ( -3.450 1.078 0.535) 3.654 30.948 ( 2.281 -0.411 3.436) 4.145 30.978 ( -6.606 -1.453 -0.390) 6.775 31.058 ( -3.361 -4.181 1.742) 5.640 31.269 ( 4.500 1.683 2.264) 5.311 31.308 ( -11.698 -0.158 7.910) 14.123 31.894 ( 2.939 5.904 0.473) 6.613 31.942 ( -3.309 7.328 4.118) 9.034 32.250 ( 8.889 -2.853 8.340) 12.519 32.475 ( -3.018 -8.371 7.447) 11.604 32.627 ( -4.104 1.683 -5.025) 6.703 32.656 ( 0.559 1.315 -4.493) 4.715 32.886 ( 5.155 -1.051 -1.147) 5.384 32.927 ( 5.695 -2.084 -3.070) 6.797 33.052 ( 6.550 3.338 0.367) 7.360 33.162 ( -3.232 -1.386 1.524) 3.833 33.294 ( -5.470 -0.177 2.229) 5.909 33.300 ( -8.505 -0.643 1.587) 8.676 34.133 ( 4.576 0.617 10.634) 11.594 34.148 ( 5.537 -0.160 9.107) 10.659 34.511 ( -0.309 0.263 -8.983) 8.992 34.529 ( 0.676 -0.537 -8.702) 8.745 34.978 ( -1.529 2.637 4.042) 5.062 35.046 ( 1.079 0.277 -2.676) 2.899 35.152 ( -0.462 0.023 3.437) 3.468 35.217 ( 1.330 -0.115 -0.814) 1.563 35.244 ( -0.300 -2.454 -1.512) 2.898 35.264 ( 0.622 -1.364 -4.022) 4.292 35.334 ( -0.617 1.094 -3.697) 3.905 35.378 ( -0.432 -0.857 -4.313) 4.419 36.628 ( 18.299 7.286 -7.346) 21.022 36.849 ( -14.710 2.024 0.127) 14.849 37.073 ( 8.098 -4.099 -9.665) 13.259 37.195 ( -21.252 -5.148 1.817) 21.942 ======================= Grid point 104 (57/69) ======================= q-point: (-0.44 0.25 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.484 ( -14.380 2.685 1.194) 14.678 1.647 ( 0.557 -2.573 -1.279) 2.926 1.665 ( -6.388 5.319 -0.725) 8.345 1.762 ( -2.603 2.858 -0.672) 3.924 1.794 ( 0.487 3.550 -0.930) 3.702 1.862 ( 0.843 2.598 -2.219) 3.520 2.037 ( -6.303 -2.181 -5.559) 8.683 2.063 ( -4.145 -5.746 0.127) 7.086 2.208 ( -2.084 3.718 5.177) 6.705 2.250 ( -4.528 -0.799 -2.380) 5.178 2.280 ( -2.681 -0.111 3.504) 4.413 2.315 ( 7.393 -1.499 4.046) 8.560 2.422 ( 6.601 -0.944 -2.422) 7.095 2.444 ( 5.426 4.779 -7.664) 10.537 2.603 ( -3.272 -4.863 0.812) 5.918 2.663 ( 0.778 -4.590 -3.182) 5.639 2.860 ( -0.453 -1.207 3.386) 3.623 2.865 ( -9.335 -1.253 2.203) 9.673 2.904 ( -0.699 -1.705 -4.843) 5.181 2.966 ( 0.198 -1.905 0.418) 1.960 3.051 ( -2.328 3.397 -1.772) 4.483 3.077 ( 0.636 -1.352 -1.012) 1.805 3.117 ( -5.407 0.414 5.651) 7.832 3.152 ( -4.238 -1.533 2.746) 5.277 3.252 ( 3.097 3.990 -2.281) 5.542 3.287 ( 3.833 2.382 -2.371) 5.098 3.468 ( -5.292 2.010 1.601) 5.883 3.490 ( -3.835 5.942 5.630) 9.040 3.553 ( -4.843 -0.021 1.631) 5.111 3.572 ( -0.919 2.259 -1.661) 2.951 3.634 ( -0.405 1.012 -0.579) 1.234 3.688 ( 8.611 -0.373 -3.183) 9.188 3.755 ( -5.038 -1.033 -2.173) 5.583 3.839 ( 2.458 -1.284 -1.710) 3.258 4.076 ( -3.355 0.394 -2.451) 4.174 4.097 ( -0.831 4.809 2.802) 5.628 4.135 ( -5.881 -2.689 -3.106) 7.173 4.200 ( -1.363 -0.523 3.820) 4.089 4.230 ( 3.144 0.626 1.943) 3.748 4.282 ( 2.001 3.855 -3.589) 5.635 4.308 ( -1.242 -2.592 -3.894) 4.840 4.320 ( 3.090 1.110 0.012) 3.283 4.421 ( 1.839 -3.020 4.310) 5.575 4.441 ( -0.824 -4.371 -4.196) 6.114 4.512 ( -4.478 -2.613 2.945) 5.963 4.585 ( 1.123 -1.635 1.914) 2.756 4.687 ( 3.875 1.415 1.454) 4.374 4.709 ( 1.468 3.388 -1.746) 4.085 4.840 ( -1.138 2.409 0.643) 2.740 4.910 ( 5.865 -1.206 0.925) 6.059 5.040 ( -2.551 3.010 2.648) 4.752 5.088 ( 2.347 2.269 1.321) 3.522 5.226 ( -3.143 -1.634 -1.114) 3.713 5.249 ( 1.837 4.518 2.625) 5.539 5.281 ( -3.005 -0.552 0.497) 3.095 5.342 ( 4.056 0.036 -1.388) 4.287 5.425 ( 0.913 1.747 2.459) 3.151 5.475 ( 3.099 -0.434 -3.755) 4.888 5.658 ( -2.604 -5.388 1.058) 6.077 5.674 ( 0.285 -4.627 1.110) 4.767 5.919 ( -1.351 -1.122 2.885) 3.378 5.970 ( -1.272 -2.624 -5.736) 6.435 5.980 ( -0.675 0.913 2.839) 3.057 6.020 ( -0.568 -1.053 -1.133) 1.648 6.122 ( -2.347 -0.308 -0.234) 2.378 6.157 ( 1.605 -0.791 -0.030) 1.789 6.265 ( -5.185 -0.045 -1.123) 5.305 6.338 ( 3.288 -3.017 0.332) 4.475 6.481 ( -5.231 1.030 0.373) 5.345 6.544 ( 2.864 -0.726 -0.584) 3.012 6.588 ( -0.453 0.979 -0.469) 1.177 6.622 ( 3.368 -0.471 0.540) 3.443 6.929 ( -4.816 0.845 -0.294) 4.898 6.963 ( -3.599 -0.545 1.027) 3.782 7.008 ( -8.301 1.461 1.409) 8.545 7.108 ( 1.883 -2.619 0.304) 3.240 7.430 ( 8.634 1.966 1.538) 8.987 7.471 ( 10.122 2.337 -2.076) 10.594 7.729 ( 4.680 -5.446 -3.440) 7.962 7.753 ( 9.684 -6.242 3.599) 12.070 8.701 ( -0.755 5.169 -1.098) 5.338 8.713 ( 1.200 5.181 -0.297) 5.327 8.885 ( -1.460 1.101 2.107) 2.790 8.927 ( 1.838 -0.071 -1.647) 2.469 9.120 ( -3.403 -0.116 -1.018) 3.554 9.169 ( 2.362 -1.197 -0.189) 2.655 9.191 ( -1.734 -2.917 1.645) 3.771 9.229 ( 1.076 -4.014 -1.371) 4.376 9.372 ( -7.289 2.598 5.039) 9.235 9.482 ( -2.099 -0.587 2.256) 3.137 9.487 ( -1.638 2.628 -1.944) 3.656 9.556 ( 4.133 -0.429 -1.832) 4.541 9.580 ( 5.760 0.896 -0.905) 5.899 9.604 ( 5.477 0.771 -0.281) 5.538 9.686 ( 0.758 -2.364 2.265) 3.360 9.725 ( 2.383 -2.562 -1.891) 3.977 9.801 ( -4.592 1.608 -1.428) 5.071 9.869 ( 3.548 -0.955 -2.508) 4.448 10.059 ( 1.214 -0.786 0.453) 1.516 10.092 ( 5.221 -1.522 1.042) 5.537 10.479 ( 0.579 3.246 1.304) 3.546 10.501 ( 1.996 3.490 -0.794) 4.099 10.628 ( 0.640 -3.147 0.505) 3.251 10.640 ( 1.555 -2.961 -0.591) 3.396 11.515 ( -2.069 1.107 -0.546) 2.409 11.520 ( -0.673 1.352 0.870) 1.742 11.589 ( -4.401 -1.445 -0.322) 4.643 11.609 ( -1.934 -1.633 0.464) 2.574 11.743 ( -1.238 2.126 -1.009) 2.659 11.766 ( 2.721 0.911 0.856) 2.994 11.806 ( 0.920 0.268 0.666) 1.167 11.829 ( 2.429 0.307 -0.840) 2.588 11.997 ( -1.690 -0.547 2.616) 3.162 12.032 ( 0.142 -2.184 -1.601) 2.712 12.193 ( -1.814 -3.225 -0.441) 3.726 12.216 ( 0.597 -3.262 -0.852) 3.424 12.640 ( -2.719 1.619 0.089) 3.166 12.670 ( 0.843 1.519 0.087) 1.739 12.755 ( -0.878 -0.745 -0.338) 1.200 12.779 ( 2.252 -0.910 0.144) 2.433 13.294 ( -4.255 7.385 -0.440) 8.535 13.305 ( -3.073 7.614 0.342) 8.218 13.488 ( 2.846 2.014 0.458) 3.516 13.492 ( 2.106 1.882 -0.415) 2.855 13.967 ( -2.745 2.305 0.013) 3.585 13.981 ( -2.013 2.543 0.088) 3.245 14.091 ( -0.799 2.898 -0.790) 3.109 14.099 ( -0.712 1.898 0.245) 2.042 14.205 ( -6.617 1.464 1.191) 6.881 14.286 ( -4.973 3.052 -1.280) 5.974 14.357 ( 7.165 -2.734 -1.212) 7.764 14.420 ( 9.446 -1.998 1.160) 9.725 14.959 ( -3.693 -1.422 -0.132) 3.959 14.999 ( 0.756 -1.637 -0.775) 1.963 15.080 ( 1.486 -5.921 1.110) 6.205 15.115 ( 5.191 -5.176 -0.183) 7.333 15.318 ( -5.208 0.943 -0.211) 5.297 15.372 ( 1.224 -0.029 -0.245) 1.249 15.391 ( -5.273 0.110 0.446) 5.293 15.441 ( 0.270 -0.721 -0.473) 0.903 15.779 ( -5.111 1.031 -0.887) 5.289 15.808 ( -0.490 0.606 0.467) 0.909 15.868 ( -5.577 -0.172 -0.651) 5.617 15.926 ( 2.706 -2.201 0.718) 3.561 16.294 ( -1.850 0.511 0.199) 1.929 16.314 ( -0.932 -0.758 0.860) 1.477 16.361 ( 3.992 0.940 1.444) 4.348 16.398 ( 3.289 -1.036 -1.358) 3.706 17.076 ( -1.520 0.572 -0.417) 1.676 17.083 ( -0.196 0.411 0.520) 0.691 17.167 ( -0.933 0.002 0.325) 0.988 17.188 ( 0.821 -0.728 -0.916) 1.429 19.742 ( -7.594 1.013 -1.230) 7.759 19.793 ( -2.695 -1.000 -0.501) 2.918 19.934 ( -0.461 0.630 -0.364) 0.862 19.977 ( 2.684 -1.060 0.839) 3.005 20.113 ( -1.335 1.088 3.743) 4.120 20.154 ( 2.300 -0.593 0.790) 2.504 20.444 ( 4.585 -0.088 1.149) 4.728 20.455 ( 3.662 -0.466 -2.081) 4.237 22.031 ( -7.963 3.268 -0.053) 8.608 22.063 ( -4.859 2.824 -0.393) 5.634 22.199 ( -8.064 -3.250 0.704) 8.723 22.206 ( -8.065 -2.988 -0.580) 8.621 22.478 ( 5.955 1.074 -1.876) 6.335 22.507 ( 9.319 0.492 1.068) 9.393 22.658 ( 4.626 -1.103 1.152) 4.893 22.679 ( 6.558 -2.337 -0.342) 6.970 27.307 ( -13.414 4.891 -0.501) 14.287 27.378 ( -5.663 6.164 0.671) 8.397 27.567 ( -20.626 -4.966 -1.672) 21.281 27.770 ( 5.634 -9.856 3.040) 11.753 28.157 ( 8.643 5.806 1.096) 10.470 28.219 ( 13.795 5.013 -0.789) 14.699 28.511 ( 7.894 -7.541 2.286) 11.154 28.529 ( 8.480 -7.159 -2.052) 11.286 30.324 ( -4.957 2.185 0.068) 5.418 30.368 ( 0.123 1.107 -0.349) 1.168 30.395 ( -4.542 0.351 0.891) 4.641 30.430 ( -0.804 0.406 -0.632) 1.100 30.744 ( -9.658 3.073 0.825) 10.168 30.775 ( -5.317 2.063 0.260) 5.709 30.900 ( 1.553 -0.600 -1.255) 2.085 30.937 ( 4.678 -1.861 1.886) 5.377 31.018 ( -0.327 -0.943 0.220) 1.022 31.062 ( 6.138 -2.466 -0.864) 6.671 31.241 ( -3.623 4.399 5.565) 7.965 31.410 ( 10.373 -1.869 -0.784) 10.569 31.897 ( -4.728 7.101 0.864) 8.575 31.973 ( 4.757 7.402 2.406) 9.122 32.370 ( -10.346 -1.856 -0.924) 10.552 32.505 ( 10.371 -3.691 6.895) 12.989 32.566 ( -3.638 -0.799 -0.376) 3.743 32.587 ( -2.504 -0.795 -2.038) 3.325 32.885 ( -4.006 -1.533 0.308) 4.300 32.907 ( -2.464 -2.786 -2.887) 4.708 33.068 ( -6.716 3.644 -0.807) 7.684 33.167 ( 3.684 -0.933 1.704) 4.165 33.309 ( 6.418 -0.611 0.948) 6.516 33.311 ( 7.247 -0.624 0.569) 7.296 34.314 ( 2.268 0.103 10.378) 10.623 34.322 ( 2.221 -0.443 7.659) 7.987 34.372 ( -1.679 1.088 -10.925) 11.107 34.413 ( -0.327 -0.788 -12.962) 12.990 35.000 ( -0.762 1.487 2.773) 3.237 35.036 ( 0.948 0.346 -2.182) 2.404 35.177 ( -1.435 0.777 3.226) 3.615 35.210 ( 0.403 -0.064 -1.583) 1.634 35.217 ( -0.903 0.073 -0.521) 1.045 35.240 ( -0.496 -0.719 -2.080) 2.256 35.298 ( -0.836 -0.595 0.737) 1.264 35.342 ( 1.206 -1.794 -3.215) 3.874 36.542 ( -22.549 6.048 0.570) 23.353 36.821 ( -4.901 -4.458 1.530) 6.800 36.976 ( 6.955 4.517 -0.212) 8.296 37.256 ( 21.730 -5.976 -4.215) 22.927 ======================= Grid point 105 (58/69) ======================= q-point: (-0.33 0.25 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.269 ( -18.949 4.057 4.563) 19.909 1.417 ( -18.745 12.923 -2.101) 22.865 1.518 ( -12.755 -4.106 1.926) 13.537 1.761 ( -7.456 -1.490 1.410) 7.733 1.800 ( -1.512 0.173 3.151) 3.499 1.844 ( -3.839 -1.397 5.862) 7.145 1.895 ( 1.709 -0.462 -1.268) 2.177 1.971 ( -10.625 0.714 1.656) 10.777 2.062 ( -9.002 4.016 2.050) 10.068 2.208 ( -2.925 2.347 -6.353) 7.377 2.321 ( 0.441 -1.716 -0.515) 1.845 2.363 ( -1.913 5.854 1.590) 6.360 2.469 ( -1.908 -6.704 -2.481) 7.399 2.552 ( 1.754 -0.668 -1.184) 2.219 2.604 ( 3.735 -0.891 0.027) 3.840 2.658 ( 1.517 -1.690 -1.330) 2.632 2.699 ( -1.937 2.775 -0.863) 3.492 2.806 ( -7.536 -2.670 -1.459) 8.127 2.857 ( -0.175 0.352 0.924) 1.004 2.893 ( -3.372 -1.389 -5.171) 6.328 3.007 ( -2.870 0.759 0.283) 2.982 3.073 ( -0.097 0.149 2.613) 2.619 3.119 ( -4.906 -0.815 4.837) 6.938 3.149 ( -0.073 -0.499 1.690) 1.764 3.238 ( -3.428 0.134 -5.821) 6.757 3.276 ( -0.530 1.225 1.921) 2.340 3.385 ( -6.435 0.997 1.990) 6.810 3.464 ( -5.416 0.806 2.868) 6.182 3.510 ( -4.562 -2.404 -1.570) 5.390 3.539 ( -3.651 5.085 1.901) 6.543 3.575 ( -3.210 0.649 2.596) 4.179 3.635 ( -5.492 0.186 -4.513) 7.111 3.752 ( 4.689 -2.409 -5.823) 7.855 3.792 ( -4.100 1.425 -2.939) 5.242 3.938 ( -1.946 3.820 -8.345) 9.382 3.995 ( -7.677 -3.087 1.739) 8.455 4.094 ( -6.908 -5.133 -0.721) 8.636 4.168 ( -3.325 0.160 2.372) 4.088 4.238 ( -4.538 1.300 1.275) 4.889 4.244 ( 1.010 1.301 0.030) 1.648 4.352 ( 3.587 -3.491 -0.259) 5.012 4.377 ( 0.830 1.583 4.180) 4.546 4.475 ( 5.249 -4.312 3.589) 7.683 4.506 ( 2.274 -2.887 1.404) 3.934 4.557 ( 3.774 -0.672 0.176) 3.837 4.625 ( 3.814 -0.364 5.205) 6.463 4.712 ( 4.086 1.914 -4.432) 6.325 4.796 ( 4.204 6.987 3.240) 8.774 4.877 ( 5.152 -1.607 -2.014) 5.760 4.999 ( 2.556 0.152 0.145) 2.565 5.047 ( 1.628 3.284 0.684) 3.728 5.135 ( 2.328 0.889 -1.052) 2.704 5.170 ( -1.967 -0.133 -0.359) 2.004 5.220 ( -2.531 -0.025 -0.717) 2.630 5.291 ( -0.848 4.501 1.432) 4.799 5.349 ( 0.104 3.313 -2.891) 4.398 5.435 ( 1.826 1.633 -4.347) 4.990 5.484 ( 5.404 -1.196 -4.968) 7.437 5.570 ( -5.162 -4.517 -4.572) 8.244 5.621 ( -4.262 -3.962 -4.103) 7.120 5.904 ( 0.183 -1.200 -0.496) 1.311 5.944 ( -2.337 -2.531 4.999) 6.071 5.998 ( -3.109 0.053 2.094) 3.749 6.033 ( -0.474 -1.702 2.227) 2.842 6.100 ( -6.510 -1.958 0.820) 6.848 6.118 ( 0.127 -1.801 1.938) 2.649 6.260 ( 3.873 1.929 -0.170) 4.330 6.394 ( 2.257 -1.112 1.531) 2.945 6.415 ( -4.521 3.840 3.278) 6.777 6.558 ( 1.041 -1.135 -1.282) 2.004 6.576 ( -0.191 -0.389 -0.878) 0.979 6.665 ( 2.148 -1.407 -0.359) 2.593 6.848 ( -9.239 2.029 0.306) 9.464 6.891 ( -1.229 -0.432 -0.999) 1.641 6.906 ( -6.385 0.921 1.135) 6.550 7.098 ( -2.691 -6.621 0.944) 7.209 7.661 ( 18.815 1.863 -1.052) 18.937 7.684 ( 18.244 2.436 -0.542) 18.414 7.872 ( 19.150 -2.460 -4.327) 19.786 7.974 ( 13.123 -6.276 2.810) 14.816 8.678 ( -1.111 5.163 -0.615) 5.317 8.730 ( 0.920 4.793 0.197) 4.884 8.885 ( -1.249 0.396 1.598) 2.067 8.934 ( 1.490 0.159 -1.846) 2.378 9.060 ( -2.713 0.158 -0.750) 2.820 9.162 ( -2.283 -1.632 0.840) 2.929 9.167 ( -3.380 -1.392 0.334) 3.670 9.221 ( 0.623 -5.428 -2.384) 5.962 9.334 ( -5.797 0.920 4.394) 7.332 9.439 ( -0.654 3.889 -2.136) 4.485 9.475 ( -4.276 -4.213 3.753) 7.079 9.547 ( -4.600 -1.559 -0.396) 4.873 9.654 ( 3.465 1.669 -1.422) 4.101 9.702 ( 2.854 1.631 -1.919) 3.807 9.752 ( 5.847 0.098 1.995) 6.179 9.792 ( 8.492 -0.537 3.096) 9.054 9.808 ( 10.800 1.507 -1.750) 11.045 9.931 ( 8.617 -2.795 -0.368) 9.066 10.127 ( 5.702 0.735 0.061) 5.749 10.202 ( 5.743 -2.229 0.905) 6.226 10.520 ( 3.260 2.793 0.152) 4.296 10.539 ( 4.001 2.520 -0.845) 4.804 10.661 ( 2.668 -2.312 0.717) 3.603 10.674 ( 4.814 -3.071 -0.831) 5.770 11.461 ( -4.582 0.177 -0.286) 4.594 11.483 ( -7.114 -0.051 -0.041) 7.115 11.499 ( -5.230 -0.027 0.416) 5.247 11.536 ( -6.711 -0.253 0.720) 6.754 11.743 ( 2.309 2.415 -0.023) 3.341 11.799 ( 1.968 -0.340 -1.196) 2.328 11.852 ( 2.413 0.317 0.957) 2.615 11.872 ( 2.917 0.449 -0.214) 2.959 11.999 ( -2.057 -1.216 3.145) 3.950 12.026 ( 0.416 -1.732 0.030) 1.781 12.146 ( -2.720 -1.569 -1.360) 3.423 12.203 ( -0.098 -1.577 -1.314) 2.055 12.607 ( -2.470 2.706 1.297) 3.887 12.665 ( -2.006 3.969 0.048) 4.447 12.751 ( 0.087 -3.095 0.256) 3.107 12.796 ( 0.190 -1.683 -0.840) 1.891 13.210 ( -4.977 7.068 -0.550) 8.662 13.236 ( -5.529 7.933 0.540) 9.684 13.525 ( 1.650 -4.000 0.063) 4.327 13.541 ( 1.533 -3.662 0.405) 3.990 13.895 ( -6.119 4.917 -0.626) 7.875 13.938 ( -2.378 0.381 1.026) 2.617 14.026 ( -4.801 -0.920 -0.628) 4.928 14.065 ( -1.385 -0.940 -0.107) 1.677 14.181 ( -0.128 8.098 0.991) 8.160 14.270 ( 3.904 9.749 -0.546) 10.515 14.456 ( 5.786 -0.803 -0.217) 5.846 14.557 ( 5.713 -3.030 0.603) 6.495 14.894 ( -5.193 1.528 0.556) 5.442 14.989 ( -0.659 1.719 -1.346) 2.281 15.118 ( -0.426 -6.851 1.284) 6.983 15.201 ( 0.940 -3.993 0.168) 4.106 15.239 ( -1.299 -0.550 0.264) 1.435 15.295 ( -6.001 -1.291 0.236) 6.143 15.362 ( -1.328 -1.723 -0.113) 2.178 15.401 ( -4.271 -1.538 -0.617) 4.581 15.648 ( -8.898 2.042 -1.262) 9.216 15.713 ( -9.626 -0.559 -1.757) 9.801 15.831 ( 1.066 1.567 0.725) 2.029 15.936 ( -0.903 -2.495 -2.139) 3.408 16.293 ( 0.559 -0.361 -0.086) 0.671 16.294 ( -1.537 -0.377 0.352) 1.622 16.417 ( 0.417 0.681 -0.627) 1.015 16.476 ( 7.427 -1.622 -0.049) 7.602 17.052 ( -1.293 0.845 0.228) 1.561 17.085 ( -1.009 -0.189 1.602) 1.903 17.143 ( -1.745 0.386 -0.714) 1.924 17.178 ( -0.421 -0.878 -1.314) 1.635 19.609 ( -7.117 1.373 -0.872) 7.300 19.700 ( -5.695 -2.272 -1.193) 6.246 19.878 ( -6.663 1.589 -0.407) 6.862 19.954 ( -5.686 -1.599 0.176) 5.909 20.215 ( 7.700 1.394 3.825) 8.710 20.253 ( 8.432 -0.187 -0.016) 8.434 20.509 ( 6.540 0.125 -2.897) 7.154 20.544 ( 6.823 -1.367 -0.289) 6.965 21.858 ( -12.462 3.004 -0.190) 12.820 21.915 ( -11.917 2.213 -0.771) 12.145 22.042 ( -11.200 -1.646 0.524) 11.333 22.051 ( -10.551 -1.286 0.440) 10.639 22.600 ( 10.994 1.079 -2.289) 11.281 22.677 ( 9.909 -0.378 1.256) 9.995 22.797 ( 9.898 -2.359 1.503) 10.286 22.815 ( 10.046 -3.182 0.144) 10.539 27.053 ( -17.192 2.820 -0.075) 17.422 27.171 ( -19.405 2.393 0.887) 19.572 27.233 ( -19.388 1.667 -1.445) 19.513 27.738 ( -10.569 -19.111 -2.132) 21.942 28.420 ( 20.643 6.402 1.148) 21.644 28.491 ( 21.286 6.370 -1.476) 22.268 28.712 ( 16.771 -6.539 0.172) 18.002 28.744 ( 19.748 -4.661 -1.415) 20.340 30.224 ( -7.921 3.972 -0.025) 8.862 30.286 ( -9.012 4.825 1.063) 10.277 30.357 ( -2.832 -1.980 0.788) 3.544 30.391 ( -3.684 -0.733 -0.695) 3.820 30.552 ( -12.572 4.004 -0.497) 13.203 30.672 ( -8.907 -0.037 1.468) 9.027 30.840 ( -12.679 3.298 -1.190) 13.155 30.954 ( 4.659 -1.807 -0.517) 5.024 31.107 ( 9.953 -1.611 0.209) 10.085 31.164 ( 7.468 -3.908 -1.570) 8.573 31.335 ( 9.657 6.211 -1.720) 11.610 31.539 ( 9.980 -3.579 -4.110) 11.371 31.843 ( -2.928 5.480 0.616) 6.243 32.037 ( 1.279 2.225 -3.121) 4.041 32.200 ( -3.688 7.230 -8.589) 11.817 32.463 ( -7.079 -1.522 -1.157) 7.332 32.540 ( -7.004 2.600 5.768) 9.439 32.689 ( -0.777 -3.511 4.093) 5.449 32.751 ( -11.589 1.246 0.273) 11.659 32.851 ( 2.946 -2.598 -4.113) 5.687 33.016 ( 1.139 4.286 -0.033) 4.435 33.265 ( 9.173 -5.750 -2.372) 11.083 33.421 ( 7.915 0.790 -1.506) 8.096 33.473 ( 11.115 -1.395 -0.815) 11.232 34.155 ( -5.048 0.924 -13.082) 14.053 34.198 ( -4.093 -0.897 -17.213) 17.716 34.439 ( -0.230 0.156 7.591) 7.596 34.448 ( 0.682 -0.219 6.929) 6.966 35.006 ( -1.335 1.317 0.968) 2.110 35.027 ( 1.179 0.916 -1.981) 2.481 35.159 ( -2.179 -0.071 -1.226) 2.501 35.197 ( -0.254 0.780 -0.566) 0.997 35.221 ( -1.739 -1.531 3.870) 4.510 35.231 ( -0.070 -0.871 1.656) 1.872 35.322 ( 0.478 -0.905 3.263) 3.420 35.349 ( 0.966 -1.049 2.662) 3.020 36.238 ( -21.434 8.446 9.178) 24.799 36.685 ( -13.196 -11.589 15.478) 23.410 37.248 ( 20.258 8.466 -2.190) 22.065 37.575 ( 23.384 -6.095 -3.091) 24.362 ======================= Grid point 106 (59/69) ======================= q-point: (-0.22 0.25 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.017 ( -18.214 7.362 7.423) 21.001 1.192 ( -17.400 14.742 11.913) 25.730 1.397 ( -8.799 -4.539 9.648) 13.824 1.617 ( -14.491 -3.540 1.548) 14.998 1.702 ( -19.835 6.178 3.983) 21.153 1.787 ( -10.755 3.123 3.721) 11.801 1.874 ( 1.046 1.101 3.822) 4.113 1.899 ( -4.768 -0.558 3.687) 6.053 2.039 ( -1.119 1.414 5.344) 5.640 2.123 ( 2.626 2.039 -7.725) 8.410 2.210 ( -4.598 -3.257 -6.938) 8.938 2.398 ( 2.739 3.850 6.025) 7.656 2.451 ( -2.311 -2.839 -2.370) 4.361 2.501 ( -3.260 -3.145 2.673) 5.260 2.546 ( -2.593 -0.626 -0.570) 2.728 2.614 ( 1.258 0.705 -6.354) 6.516 2.740 ( -1.261 -0.732 1.429) 2.042 2.762 ( -3.825 -1.356 -1.801) 4.440 2.801 ( 0.522 3.904 -1.294) 4.146 2.905 ( 1.966 2.040 1.212) 3.081 2.975 ( -1.076 -2.184 -0.861) 2.582 3.084 ( -3.255 -4.369 2.738) 6.098 3.100 ( -0.089 2.501 0.371) 2.530 3.130 ( -3.383 5.076 -0.695) 6.140 3.161 ( 0.916 -2.735 -1.514) 3.257 3.231 ( -5.855 4.629 0.905) 7.519 3.286 ( -7.719 -0.834 -2.540) 8.169 3.381 ( -6.164 -1.522 -1.428) 6.508 3.458 ( -6.714 0.642 0.890) 6.803 3.479 ( 0.119 -6.089 0.407) 6.104 3.558 ( 1.228 0.059 5.738) 5.868 3.617 ( -1.191 -3.099 3.005) 4.478 3.714 ( -4.459 -0.485 4.522) 6.369 3.745 ( 1.398 2.046 -0.927) 2.646 3.855 ( -10.170 3.198 -1.737) 10.801 3.876 ( 3.721 4.513 -5.352) 7.928 4.012 ( -3.067 -9.666 2.732) 10.503 4.168 ( -1.050 0.692 2.627) 2.913 4.192 ( -5.214 1.983 4.594) 7.226 4.273 ( 1.118 -1.184 -1.905) 2.506 4.364 ( 3.157 -3.323 2.040) 5.017 4.457 ( -3.003 -4.525 1.608) 5.664 4.527 ( 1.526 -2.426 5.037) 5.795 4.547 ( 1.124 2.642 -3.465) 4.500 4.623 ( 3.630 -1.131 2.253) 4.420 4.678 ( 0.981 3.304 -7.209) 7.990 4.779 ( 3.459 -4.630 -0.449) 5.797 4.844 ( 0.536 -0.470 1.434) 1.601 4.922 ( 3.833 3.760 -1.219) 5.506 5.013 ( 0.210 3.004 -3.925) 4.947 5.052 ( -0.312 -0.143 -2.776) 2.797 5.116 ( 4.846 4.176 -2.771) 6.972 5.155 ( -1.469 -1.796 -0.711) 2.427 5.231 ( -1.859 -0.387 -2.168) 2.883 5.262 ( 2.461 0.567 -0.713) 2.624 5.314 ( -2.334 2.014 0.155) 3.087 5.419 ( 2.396 2.405 -5.436) 6.409 5.476 ( 0.088 -1.040 -3.062) 3.235 5.494 ( 1.721 1.524 -3.751) 4.399 5.534 ( 2.384 -1.674 -2.513) 3.847 5.871 ( -6.682 -1.839 -0.228) 6.935 5.929 ( -4.363 -3.518 -1.915) 5.923 5.991 ( 1.084 -1.701 2.791) 3.444 6.017 ( -0.806 -2.443 5.996) 6.525 6.104 ( 1.645 0.319 1.542) 2.277 6.133 ( -1.016 0.363 1.299) 1.689 6.293 ( -1.348 1.188 -1.371) 2.260 6.388 ( -2.216 4.536 4.689) 6.890 6.466 ( 1.989 -4.184 0.388) 4.649 6.534 ( -1.671 -2.013 -0.243) 2.627 6.582 ( 0.806 0.487 -0.201) 0.962 6.711 ( -1.231 1.134 0.361) 1.712 6.741 ( 0.316 0.493 1.793) 1.886 6.782 ( -4.566 -0.659 -0.851) 4.691 6.911 ( 1.754 1.309 -0.252) 2.203 7.088 ( 0.125 -7.736 1.084) 7.813 7.958 ( 19.951 2.833 -0.180) 20.151 7.980 ( 20.301 1.876 -1.132) 20.418 8.168 ( 22.098 -3.450 -2.573) 22.514 8.211 ( 14.016 -5.583 2.128) 15.237 8.644 ( -2.590 5.702 -0.708) 6.302 8.745 ( 0.598 4.186 0.511) 4.259 8.879 ( -1.568 -1.282 1.037) 2.275 8.928 ( -0.071 -0.293 -1.423) 1.455 9.016 ( -2.993 -1.278 -0.270) 3.265 9.100 ( -5.850 -1.833 -0.030) 6.131 9.136 ( -2.021 -2.213 0.535) 3.045 9.186 ( -1.257 -5.471 -3.244) 6.484 9.277 ( -6.057 2.920 2.994) 7.360 9.405 ( -2.151 3.205 -2.630) 4.671 9.435 ( -5.775 -3.864 3.295) 7.690 9.449 ( -4.503 0.034 0.115) 4.505 9.684 ( -1.743 2.063 3.550) 4.460 9.717 ( 3.943 -0.299 -1.136) 4.114 9.905 ( 9.920 1.362 0.009) 10.013 9.972 ( 12.532 -0.009 -1.386) 12.609 10.002 ( 11.874 1.316 2.108) 12.131 10.086 ( 8.430 -0.914 0.158) 8.480 10.225 ( 8.511 -0.409 -0.968) 8.576 10.265 ( 2.899 -1.936 -1.274) 3.711 10.584 ( 5.485 1.901 -0.437) 5.822 10.604 ( 6.023 2.010 -1.435) 6.510 10.714 ( 3.628 -0.842 0.995) 3.854 10.784 ( 8.483 -3.332 0.053) 9.115 11.336 ( -10.032 -0.910 -0.395) 10.081 11.366 ( -10.197 -0.648 -0.398) 10.225 11.391 ( -6.387 0.061 0.996) 6.464 11.458 ( -5.815 -0.813 0.762) 5.921 11.799 ( 3.052 0.889 1.320) 3.442 11.809 ( 1.114 0.833 -1.049) 1.742 11.893 ( 1.821 -0.110 -1.181) 2.174 11.902 ( 3.038 0.737 0.424) 3.154 12.000 ( -2.891 -0.103 3.577) 4.601 12.043 ( 1.010 -1.586 0.550) 1.959 12.091 ( -1.207 2.165 -2.328) 3.401 12.202 ( 1.706 0.428 -1.087) 2.068 12.582 ( -3.281 3.675 1.186) 5.067 12.613 ( -3.796 5.413 -0.869) 6.668 12.738 ( -2.151 -2.516 0.205) 3.317 12.783 ( -0.523 -3.142 -0.229) 3.193 13.142 ( -2.911 4.562 -0.447) 5.430 13.162 ( -4.557 5.983 0.414) 7.532 13.482 ( -9.337 -7.928 0.527) 12.260 13.507 ( -5.637 -12.250 -1.051) 13.525 13.867 ( 4.446 9.984 -0.396) 10.936 13.927 ( 2.080 3.312 -0.499) 3.943 14.012 ( 2.375 -1.343 1.129) 2.953 14.079 ( 4.037 -1.773 -0.726) 4.468 14.183 ( -1.967 9.131 1.311) 9.432 14.332 ( 4.039 11.064 -0.669) 11.798 14.527 ( 2.939 -0.614 0.629) 3.068 14.585 ( -2.291 -3.192 -0.579) 3.971 14.778 ( -11.322 3.469 0.931) 11.878 14.920 ( -5.810 7.267 -2.878) 9.739 15.062 ( -7.866 -6.302 -0.865) 10.116 15.099 ( -11.704 -2.353 0.477) 11.947 15.179 ( -8.371 1.040 0.577) 8.455 15.276 ( -4.515 2.145 -1.529) 5.227 15.331 ( 0.967 -4.551 1.439) 4.870 15.401 ( 7.017 -2.920 -1.170) 7.689 15.552 ( -1.350 -0.574 0.632) 1.597 15.572 ( -3.903 -0.972 -1.160) 4.186 15.835 ( -5.313 0.537 -6.003) 8.034 15.872 ( 3.732 -1.525 -2.366) 4.674 16.267 ( -2.063 0.083 0.056) 2.066 16.289 ( -1.705 -0.997 0.264) 1.993 16.393 ( -2.817 2.134 -0.332) 3.550 16.521 ( -0.209 -2.949 -5.185) 5.969 17.040 ( -0.670 1.038 0.261) 1.263 17.087 ( -1.373 -0.713 1.413) 2.095 17.109 ( -1.163 0.891 -0.446) 1.531 17.149 ( -1.266 -0.945 -1.207) 1.989 19.518 ( -3.888 0.913 0.060) 3.995 19.609 ( -3.788 -1.932 -2.258) 4.815 19.767 ( -6.024 0.587 -0.250) 6.057 19.835 ( -7.282 -1.812 -2.135) 7.802 20.379 ( 7.797 0.672 -0.168) 7.827 20.381 ( 7.498 0.852 3.166) 8.183 20.583 ( 6.738 0.364 -2.590) 7.227 20.630 ( 4.778 -1.577 -0.920) 5.115 21.690 ( -9.275 2.003 1.363) 9.586 21.726 ( -10.623 1.854 -0.230) 10.786 21.885 ( -9.543 -0.564 0.252) 9.563 21.900 ( -9.590 -0.652 0.458) 9.623 22.740 ( 10.284 0.312 -2.860) 10.679 22.818 ( 6.729 -3.159 -0.115) 7.434 22.964 ( 10.233 -2.112 1.006) 10.497 22.987 ( 9.768 -1.477 2.425) 10.173 26.806 ( -14.377 1.518 0.090) 14.457 26.887 ( -17.908 -0.418 1.742) 17.997 26.925 ( -17.905 3.955 -1.876) 18.433 27.386 ( -24.758 -21.236 -11.756) 34.671 28.756 ( 21.512 5.290 0.179) 22.154 28.828 ( 24.482 9.121 -2.646) 26.259 29.002 ( 18.710 -5.141 2.894) 19.618 29.065 ( 21.225 -3.437 -0.658) 21.511 30.055 ( -14.400 5.325 -0.025) 15.353 30.177 ( -5.921 9.817 1.103) 11.517 30.251 ( -11.500 -0.085 -1.260) 11.569 30.328 ( -2.497 -0.561 0.756) 2.669 30.424 ( -3.976 1.819 0.025) 4.372 30.533 ( -13.426 -2.678 4.967) 14.563 30.627 ( -9.311 8.712 -6.128) 14.148 30.974 ( -0.797 -7.311 -5.266) 9.045 31.227 ( 8.664 1.512 -3.485) 9.461 31.290 ( 8.652 -2.310 0.726) 8.985 31.447 ( 11.050 7.633 -8.110) 15.689 31.631 ( 8.785 -3.435 -5.723) 11.033 31.826 ( 0.404 3.810 0.338) 3.846 31.984 ( 1.210 6.496 -8.304) 10.612 32.008 ( -5.406 6.714 -10.852) 13.859 32.329 ( -7.914 -2.438 -1.597) 8.433 32.452 ( -11.722 4.617 2.751) 12.895 32.542 ( -12.468 2.652 -4.218) 13.427 32.557 ( -14.359 -0.138 0.000) 14.360 32.895 ( 7.319 -5.502 -13.248) 16.104 33.072 ( 3.416 3.217 1.481) 4.920 33.302 ( 6.266 -6.455 -15.702) 18.097 33.495 ( 6.227 1.967 -5.933) 8.823 33.590 ( 7.030 -2.233 -4.576) 8.680 34.002 ( -0.918 0.692 -3.340) 3.533 34.016 ( -0.051 0.020 0.737) 0.739 34.482 ( -2.643 0.521 4.320) 5.091 34.514 ( -1.396 -0.771 6.208) 6.409 34.987 ( -3.190 1.686 2.320) 4.289 35.029 ( 1.966 2.439 -2.551) 4.040 35.101 ( -3.635 -2.063 -0.239) 4.186 35.167 ( -1.161 -0.265 -2.308) 2.598 35.250 ( -0.480 -1.020 2.543) 2.782 35.271 ( 1.503 -3.008 3.999) 5.225 35.359 ( 0.337 0.771 2.128) 2.288 35.417 ( 0.785 -1.364 3.495) 3.833 36.163 ( -12.837 12.502 27.610) 32.915 36.886 ( 3.919 -21.644 33.214) 39.837 37.498 ( 17.445 10.035 -4.785) 20.686 37.873 ( 20.083 -7.199 -4.840) 21.877 ======================= Grid point 107 (60/69) ======================= q-point: (-0.11 0.25 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.835 ( -19.856 15.054 10.100) 26.886 1.182 ( -8.319 21.597 10.048) 25.231 1.352 ( -8.978 9.452 12.577) 18.115 1.401 ( -9.934 2.227 -2.331) 10.444 1.627 ( 0.382 -7.172 11.554) 13.604 1.689 ( -0.841 1.495 -1.128) 2.053 1.842 ( -9.021 -2.646 11.367) 14.751 1.875 ( -2.005 1.361 -3.958) 4.641 2.106 ( 1.109 -1.527 1.089) 2.179 2.123 ( 0.222 -2.299 5.124) 5.621 2.180 ( 2.174 0.753 7.738) 8.073 2.394 ( 0.745 -1.692 -0.762) 2.000 2.434 ( -1.102 -1.926 0.392) 2.253 2.479 ( -4.300 -3.676 0.142) 5.659 2.572 ( 0.778 2.028 2.121) 3.036 2.636 ( -4.505 -1.385 2.823) 5.494 2.683 ( 0.175 0.598 -1.542) 1.663 2.732 ( -1.704 0.356 4.540) 4.862 2.757 ( 1.689 1.574 -2.175) 3.171 2.887 ( -4.394 1.801 -7.472) 8.853 2.985 ( 1.913 1.292 -2.794) 3.624 3.010 ( -9.234 -3.225 -2.691) 10.144 3.037 ( 0.955 -2.391 -3.373) 4.243 3.074 ( 0.434 2.501 -1.953) 3.203 3.115 ( -3.182 4.340 -3.704) 6.533 3.207 ( -1.984 0.608 2.890) 3.558 3.237 ( 2.529 -2.529 1.618) 3.926 3.311 ( -3.676 0.840 1.460) 4.043 3.399 ( -0.839 0.158 0.246) 0.889 3.475 ( -2.821 -5.775 -1.608) 6.625 3.566 ( -2.389 4.734 0.207) 5.307 3.641 ( -0.419 -5.347 3.901) 6.632 3.786 ( 2.471 2.273 6.658) 7.456 3.804 ( 4.092 -1.149 5.182) 6.702 3.816 ( 2.097 6.000 6.601) 9.163 3.923 ( 4.991 -0.538 0.739) 5.074 3.976 ( -5.924 -8.986 2.377) 11.023 4.179 ( -3.401 -0.256 5.355) 6.349 4.235 ( 1.551 2.902 4.207) 5.341 4.241 ( 0.025 -1.671 1.529) 2.265 4.397 ( -2.798 0.355 -2.990) 4.110 4.445 ( 0.898 2.439 1.494) 2.998 4.546 ( -1.418 4.233 -3.293) 5.548 4.561 ( 3.987 -1.478 -2.524) 4.945 4.585 ( -5.224 0.665 -5.019) 7.275 4.620 ( 1.444 -2.753 2.290) 3.861 4.744 ( -1.262 -2.831 -1.786) 3.577 4.825 ( -0.471 -2.068 -10.485) 10.697 4.895 ( -3.476 2.280 -3.407) 5.375 5.025 ( 4.872 -1.234 -1.321) 5.197 5.052 ( -1.051 1.384 3.294) 3.724 5.099 ( -1.273 1.572 -6.482) 6.791 5.122 ( 1.606 0.379 -1.212) 2.047 5.214 ( 0.318 -5.517 -4.652) 7.223 5.267 ( 2.897 -0.878 -1.012) 3.192 5.313 ( 0.039 -0.283 -1.044) 1.083 5.394 ( 1.277 0.489 -1.761) 2.229 5.455 ( 1.962 1.098 -1.422) 2.661 5.541 ( 2.518 -0.830 -0.149) 2.656 5.593 ( 5.333 -0.237 -1.185) 5.468 5.769 ( -3.207 1.054 1.041) 3.533 5.881 ( -0.115 -3.367 -0.519) 3.409 6.012 ( -2.812 -1.447 1.510) 3.505 6.061 ( -1.345 -3.612 2.278) 4.477 6.109 ( -0.467 2.078 -1.753) 2.758 6.176 ( 3.417 -1.560 3.379) 5.052 6.237 ( -1.512 -2.496 -1.687) 3.371 6.317 ( -7.567 -4.396 -2.435) 9.084 6.497 ( 0.818 1.662 3.259) 3.749 6.546 ( 1.614 -0.782 -0.126) 1.798 6.588 ( -0.324 0.243 1.772) 1.818 6.689 ( -0.481 0.610 -0.069) 0.780 6.740 ( 1.799 0.863 0.714) 2.120 6.832 ( 1.844 -0.017 -0.798) 2.010 6.992 ( 7.859 -5.878 3.079) 10.286 7.112 ( 0.172 -8.893 1.801) 9.075 8.250 ( 16.514 2.877 0.415) 16.768 8.263 ( 17.549 2.522 -1.154) 17.767 8.431 ( 13.038 -4.393 1.185) 13.809 8.465 ( 16.469 -4.367 -1.188) 17.079 8.592 ( -3.088 6.410 0.220) 7.118 8.759 ( 0.053 2.643 0.952) 2.810 8.835 ( -5.699 -1.940 -1.379) 6.176 8.889 ( -6.441 -1.943 1.876) 6.984 8.952 ( -1.619 -0.505 -2.867) 3.331 8.988 ( -6.257 -2.789 -1.205) 6.955 9.105 ( -3.004 -2.090 -0.204) 3.665 9.128 ( -0.777 -3.660 -3.209) 4.929 9.227 ( -4.004 4.081 2.624) 6.290 9.323 ( -4.501 3.004 -0.913) 5.488 9.389 ( -2.393 -2.355 1.583) 3.712 9.420 ( -1.624 -0.627 0.232) 1.756 9.703 ( -1.947 1.999 5.379) 6.060 9.777 ( 4.482 -1.510 -0.629) 4.772 10.021 ( 6.294 0.387 -2.391) 6.744 10.099 ( 4.699 -1.614 -4.693) 6.835 10.170 ( 4.608 3.384 1.794) 5.992 10.183 ( 9.013 3.824 0.351) 9.797 10.280 ( 2.093 -1.220 -0.662) 2.511 10.367 ( 8.629 -2.637 -1.173) 9.099 10.665 ( 4.720 1.580 0.025) 4.977 10.690 ( 5.995 2.626 -1.130) 6.641 10.788 ( 3.959 -1.126 1.172) 4.280 10.888 ( 4.367 -3.687 -1.289) 5.859 11.168 ( -9.665 1.117 -0.725) 9.757 11.189 ( -11.437 2.197 -0.091) 11.647 11.324 ( -3.532 -3.484 1.250) 5.116 11.377 ( -3.807 -3.249 -0.543) 5.034 11.803 ( 0.211 1.446 -1.425) 2.041 11.834 ( -1.693 -0.117 1.894) 2.543 11.911 ( 2.313 -0.709 -0.383) 2.450 11.947 ( -1.296 -1.357 -0.117) 1.880 12.016 ( 2.972 2.337 2.542) 4.556 12.059 ( 0.692 2.557 -0.310) 2.667 12.091 ( 3.673 4.374 -0.085) 5.712 12.217 ( 1.635 1.652 -1.251) 2.639 12.526 ( -4.022 5.605 -0.042) 6.899 12.545 ( -2.619 6.208 -1.516) 6.906 12.720 ( -0.702 -2.150 1.101) 2.515 12.771 ( -0.912 -4.283 -0.019) 4.379 13.105 ( -2.356 3.294 0.345) 4.064 13.113 ( -1.118 1.380 -0.580) 1.869 13.320 ( -11.010 -6.349 -0.694) 12.729 13.328 ( -12.345 -7.375 -0.958) 14.413 13.973 ( 7.744 10.040 -0.396) 12.686 14.014 ( 8.206 4.210 0.019) 9.223 14.077 ( 3.712 -0.217 0.134) 3.720 14.144 ( -0.872 2.108 0.579) 2.353 14.182 ( 6.372 2.528 0.015) 6.856 14.353 ( 0.741 11.524 -4.461) 12.379 14.479 ( -6.984 -3.917 -0.771) 8.044 14.549 ( -5.393 0.966 2.123) 5.875 14.625 ( -5.768 4.208 1.204) 7.241 14.737 ( -10.956 4.833 -4.050) 12.641 14.881 ( -12.300 -5.375 -0.363) 13.428 14.895 ( -11.808 -2.507 -1.805) 12.205 15.046 ( -7.154 11.060 -0.567) 13.185 15.127 ( -7.214 8.908 -3.769) 12.066 15.413 ( 3.142 -5.876 4.054) 7.800 15.526 ( 8.737 -2.501 -0.606) 9.108 15.570 ( 2.059 -0.841 0.058) 2.225 15.589 ( 2.186 -2.960 1.777) 4.086 15.692 ( -1.917 3.585 -3.603) 5.433 15.889 ( 2.701 -4.232 -4.729) 6.897 16.238 ( -1.755 -0.060 0.576) 1.848 16.251 ( -3.153 -0.611 0.274) 3.223 16.329 ( -4.122 0.291 -0.881) 4.225 16.361 ( -10.101 -0.454 -3.869) 10.826 17.040 ( 0.169 1.305 0.332) 1.357 17.070 ( -0.797 0.504 -0.401) 1.025 17.109 ( -0.421 -0.125 1.589) 1.649 17.130 ( 0.023 -0.704 -0.231) 0.741 19.486 ( -1.613 -0.197 0.629) 1.742 19.533 ( -2.010 -0.184 -2.809) 3.459 19.708 ( -2.101 -2.393 0.675) 3.255 19.730 ( -2.898 -2.295 -0.792) 3.780 20.481 ( 5.724 0.922 -0.210) 5.802 20.498 ( 2.990 0.353 2.514) 3.923 20.651 ( 5.190 0.264 -2.110) 5.608 20.672 ( 1.765 -0.721 -0.308) 1.931 21.588 ( -5.876 1.243 1.675) 6.236 21.625 ( -3.009 -0.373 0.434) 3.063 21.762 ( -5.974 -0.464 -0.246) 5.997 21.774 ( -6.708 -0.554 0.164) 6.733 22.840 ( 6.518 -0.619 -2.792) 7.118 22.876 ( 2.208 -3.548 -1.272) 4.368 23.123 ( 7.633 -0.542 0.958) 7.712 23.139 ( 6.103 -0.976 1.593) 6.383 26.624 ( -8.537 0.639 -0.331) 8.567 26.669 ( -11.838 -0.185 -0.433) 11.847 26.682 ( -10.594 1.761 0.788) 10.768 26.842 ( -24.560 -6.534 -6.780) 26.304 29.097 ( 22.549 6.027 0.273) 23.342 29.158 ( 20.452 7.103 -1.138) 21.680 29.320 ( 15.378 -3.257 1.841) 15.827 29.341 ( 14.853 -2.767 0.892) 15.135 29.797 ( -18.888 6.954 0.809) 20.143 30.029 ( -14.319 12.939 -6.593) 20.394 30.109 ( -4.498 9.501 1.385) 10.603 30.305 ( -1.804 -0.491 0.908) 2.078 30.372 ( -8.765 0.153 -2.020) 8.996 30.380 ( -2.860 -1.142 -0.141) 3.082 30.440 ( -8.049 3.667 1.602) 8.989 30.800 ( -5.202 -5.446 -12.025) 14.188 31.334 ( 8.101 6.783 -2.571) 10.874 31.404 ( 4.620 0.005 1.691) 4.920 31.446 ( 0.346 7.373 -5.797) 9.385 31.711 ( 11.781 -2.338 -6.474) 13.644 31.837 ( 1.978 6.035 -2.380) 6.783 31.895 ( 4.922 3.560 -0.626) 6.106 32.001 ( 2.996 -1.309 -0.159) 3.273 32.194 ( -7.269 -1.550 -1.058) 7.507 32.272 ( -10.864 2.442 -1.738) 11.270 32.311 ( -12.849 -0.405 0.466) 12.864 32.327 ( -14.208 -0.184 -0.130) 14.210 32.645 ( -3.759 -10.909 -32.974) 34.934 33.131 ( 1.403 1.140 2.578) 3.149 33.211 ( 0.935 -2.396 -6.218) 6.729 33.485 ( 2.552 2.094 -6.695) 7.465 33.602 ( 3.593 -2.792 -7.552) 8.817 34.098 ( 8.453 1.663 4.679) 9.804 34.159 ( 7.627 -1.004 8.846) 11.723 34.458 ( -4.362 2.060 1.163) 4.962 34.538 ( -2.565 -1.331 3.070) 4.216 34.961 ( -3.879 1.484 2.815) 5.017 35.014 ( 0.726 1.984 -3.855) 4.396 35.066 ( -2.328 -1.708 2.743) 3.982 35.132 ( 0.333 -1.172 -2.372) 2.667 35.273 ( -0.299 0.221 2.799) 2.823 35.337 ( 1.811 -2.292 2.531) 3.865 35.370 ( -0.220 0.272 0.089) 0.361 35.431 ( -0.774 -1.441 0.271) 1.658 36.425 ( -2.964 15.633 36.658) 39.962 37.283 ( 7.128 -14.941 7.531) 18.186 37.746 ( 15.246 -5.616 5.784) 17.247 38.068 ( 12.913 -9.523 -6.532) 17.323 ======================= Grid point 108 (61/69) ======================= q-point: ( 0.00 -0.50 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 68 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.113 ( -6.925 -17.480 5.457) 19.578 1.113 ( -6.925 17.480 5.457) 19.578 1.433 ( 6.686 -13.381 -11.407) 18.812 1.433 ( 6.686 13.381 -11.407) 18.812 1.672 ( 1.005 -9.488 3.051) 10.017 1.672 ( 1.005 9.488 3.051) 10.017 1.952 ( -0.100 -2.703 8.488) 8.908 1.952 ( -0.100 2.703 8.488) 8.908 2.191 ( 1.390 -8.443 8.951) 12.383 2.191 ( 1.390 8.443 8.951) 12.383 2.312 ( 3.683 -3.111 8.594) 9.854 2.312 ( 3.683 3.111 8.594) 9.854 2.408 ( -6.445 -3.606 -2.985) 7.966 2.408 ( -6.445 3.606 -2.985) 7.966 2.603 ( 1.611 -1.966 6.741) 7.204 2.603 ( 1.611 1.966 6.741) 7.204 2.683 ( 0.498 -1.943 0.012) 2.006 2.683 ( 0.498 1.943 0.012) 2.006 2.788 ( -2.718 -1.097 -9.355) 9.804 2.788 ( -2.718 1.097 -9.355) 9.804 2.899 ( 0.294 -1.046 -3.038) 3.227 2.899 ( 0.294 1.046 -3.038) 3.227 3.012 ( -1.478 -3.768 -3.737) 5.509 3.012 ( -1.478 3.768 -3.737) 5.509 3.185 ( 2.747 -3.374 2.901) 5.230 3.185 ( 2.747 3.374 2.901) 5.230 3.275 ( -2.883 -3.845 -1.891) 5.165 3.275 ( -2.883 3.846 -1.891) 5.165 3.327 ( 2.541 -2.706 -0.889) 3.817 3.327 ( 2.541 2.706 -0.889) 3.817 3.683 ( 0.059 -3.122 2.960) 4.302 3.683 ( 0.059 3.122 2.960) 4.302 3.831 ( -0.594 -5.663 4.840) 7.473 3.831 ( -0.594 5.663 4.840) 7.473 3.928 ( 2.368 -0.751 -3.218) 4.066 3.928 ( 2.368 0.751 -3.218) 4.066 4.193 ( -0.933 -9.616 8.542) 12.896 4.193 ( -0.933 9.616 8.542) 12.896 4.232 ( 0.211 -4.912 5.522) 7.394 4.232 ( 0.211 4.912 5.522) 7.394 4.465 ( 0.036 -3.169 -2.723) 4.178 4.465 ( 0.036 3.169 -2.723) 4.178 4.538 ( -0.303 -4.774 -0.364) 4.798 4.538 ( -0.303 4.774 -0.364) 4.798 4.611 ( 2.636 -2.237 -1.732) 3.867 4.611 ( 2.636 2.237 -1.732) 3.867 4.658 ( -0.865 -2.202 -5.905) 6.361 4.658 ( -0.865 2.202 -5.905) 6.361 4.896 ( -3.592 -5.464 0.671) 6.573 4.896 ( -3.592 5.464 0.671) 6.573 5.023 ( 0.530 -2.999 -6.625) 7.291 5.023 ( 0.530 2.999 -6.625) 7.291 5.186 ( 2.818 -0.686 1.236) 3.152 5.186 ( 2.818 0.686 1.236) 3.152 5.261 ( -1.068 -2.753 -2.123) 3.637 5.261 ( -1.068 2.753 -2.123) 3.637 5.443 ( 0.963 -1.460 -1.584) 2.360 5.443 ( 0.963 1.460 -1.584) 2.360 5.552 ( -0.169 -1.560 -0.996) 1.859 5.552 ( -0.169 1.560 -0.996) 1.859 5.837 ( 1.582 -2.112 0.681) 2.725 5.837 ( 1.582 2.112 0.681) 2.725 5.972 ( -3.090 -3.843 2.042) 5.337 5.972 ( -3.090 3.843 2.042) 5.337 6.088 ( -1.419 -3.499 -3.983) 5.489 6.088 ( -1.419 3.499 -3.983) 5.489 6.221 ( 1.677 -0.915 1.408) 2.373 6.221 ( 1.677 0.915 1.408) 2.373 6.548 ( -3.792 -2.056 4.245) 6.052 6.548 ( -3.792 2.056 4.245) 6.052 6.643 ( 2.221 -1.293 -0.978) 2.750 6.643 ( 2.221 1.293 -0.978) 2.750 6.845 ( 1.039 -2.402 -0.230) 2.627 6.845 ( 1.039 2.402 -0.230) 2.627 6.970 ( 0.596 -1.825 -0.723) 2.051 6.970 ( 0.596 1.825 -0.723) 2.051 8.467 ( 0.902 -1.188 -0.035) 1.492 8.467 ( 0.902 1.188 -0.035) 1.492 8.512 ( -2.113 -2.931 -0.049) 3.614 8.512 ( -2.113 2.931 -0.049) 3.614 8.717 ( 2.673 -0.946 -0.356) 2.858 8.717 ( 2.673 0.946 -0.356) 2.858 8.763 ( -1.185 -2.322 -0.080) 2.608 8.763 ( -1.185 2.322 -0.080) 2.608 8.915 ( 0.113 -1.773 -0.426) 1.827 8.915 ( 0.113 1.773 -0.426) 1.827 9.044 ( -0.294 -0.932 -0.897) 1.326 9.044 ( -0.294 0.932 -0.897) 1.326 9.295 ( -1.012 -2.183 1.490) 2.830 9.295 ( -1.012 2.183 1.490) 2.830 9.365 ( 0.164 -1.545 -0.078) 1.556 9.365 ( 0.164 1.545 -0.078) 1.556 9.777 ( 0.855 -2.701 2.018) 3.479 9.777 ( 0.855 2.701 2.018) 3.479 10.049 ( -0.109 -0.373 -4.128) 4.146 10.049 ( -0.109 0.373 -4.128) 4.146 10.291 ( -0.667 -2.156 1.872) 2.932 10.291 ( -0.667 2.156 1.872) 2.932 10.350 ( 0.298 -2.961 -0.939) 3.120 10.350 ( 0.298 2.961 -0.939) 3.120 10.763 ( 0.242 -3.042 1.462) 3.384 10.763 ( 0.242 3.042 1.462) 3.384 10.813 ( -0.654 -3.841 -1.725) 4.261 10.813 ( -0.654 3.841 -1.725) 4.261 11.138 ( -0.067 -1.100 -0.340) 1.153 11.138 ( -0.067 1.100 -0.340) 1.153 11.252 ( 0.252 -1.594 0.147) 1.620 11.252 ( 0.252 1.594 0.147) 1.620 11.808 ( -0.007 -0.337 -0.193) 0.388 11.808 ( -0.007 0.337 -0.193) 0.388 11.921 ( -0.683 -0.059 0.172) 0.707 11.921 ( -0.683 0.059 0.172) 0.707 12.095 ( -0.796 -0.719 1.558) 1.891 12.095 ( -0.796 0.719 1.558) 1.891 12.226 ( 1.316 -2.037 -1.393) 2.797 12.226 ( 1.316 2.037 -1.393) 2.797 12.593 ( -0.366 -1.690 -0.006) 1.729 12.593 ( -0.366 1.690 -0.006) 1.729 12.682 ( 0.399 -1.762 0.238) 1.822 12.682 ( 0.399 1.762 0.238) 1.822 13.134 ( 0.465 -0.797 0.115) 0.930 13.134 ( 0.465 0.797 0.115) 0.930 13.165 ( -0.421 -1.657 0.079) 1.711 13.165 ( -0.421 1.657 0.079) 1.711 14.112 ( -1.616 -0.673 0.766) 1.911 14.112 ( -1.616 0.673 0.766) 1.911 14.151 ( 1.963 -0.098 -1.417) 2.423 14.151 ( 1.963 0.098 -1.417) 2.423 14.345 ( -0.722 -1.660 0.325) 1.839 14.345 ( -0.722 1.660 0.325) 1.839 14.500 ( 0.220 -1.545 0.999) 1.853 14.500 ( 0.220 1.545 0.999) 1.853 14.626 ( -0.300 -5.005 1.472) 5.226 14.626 ( -0.300 5.005 1.472) 5.226 14.697 ( 1.226 -5.213 -3.566) 6.434 14.697 ( 1.226 5.213 -3.566) 6.434 15.232 ( -1.363 -12.072 4.810) 13.067 15.232 ( -1.363 12.072 4.810) 13.067 15.450 ( 2.138 -10.503 -5.664) 12.123 15.450 ( 2.138 10.503 -5.664) 12.123 15.601 ( 1.755 -1.604 -1.263) 2.692 15.601 ( 1.755 1.604 -1.263) 2.692 15.714 ( -2.473 -2.768 -1.599) 4.041 15.714 ( -2.473 2.768 -1.599) 4.041 16.230 ( 0.067 -0.283 0.375) 0.474 16.230 ( 0.067 0.283 0.375) 0.474 16.246 ( -0.836 -1.091 -0.235) 1.395 16.246 ( -0.836 1.091 -0.235) 1.395 17.071 ( -0.036 -0.479 0.263) 0.548 17.071 ( -0.036 0.479 0.263) 0.548 17.116 ( 0.253 -0.709 0.087) 0.757 17.116 ( 0.253 0.709 0.087) 0.757 19.494 ( 0.357 -1.167 -0.688) 1.400 19.494 ( 0.357 1.167 -0.688) 1.400 19.656 ( -0.485 -0.464 0.149) 0.687 19.656 ( -0.485 0.464 0.149) 0.687 20.537 ( -1.044 -0.594 1.297) 1.768 20.537 ( -1.044 0.594 1.297) 1.768 20.680 ( 0.992 -0.480 -1.261) 1.675 20.680 ( 0.992 0.480 -1.261) 1.675 21.590 ( 0.963 -1.051 0.384) 1.476 21.590 ( 0.963 1.051 0.384) 1.476 21.699 ( -0.950 -0.299 0.153) 1.008 21.699 ( -0.950 0.299 0.153) 1.008 22.857 ( 0.406 -0.465 -1.316) 1.454 22.857 ( 0.406 0.465 -1.316) 1.454 23.184 ( -0.561 -0.032 0.539) 0.779 23.184 ( -0.561 0.032 0.539) 0.779 26.560 ( -0.086 -0.040 -0.222) 0.242 26.560 ( -0.086 0.040 -0.222) 0.242 26.621 ( 0.221 -0.156 0.010) 0.271 26.621 ( 0.221 0.156 0.010) 0.271 29.404 ( -0.282 -1.604 1.839) 2.456 29.404 ( -0.282 1.604 1.839) 2.456 29.467 ( 1.155 -1.467 -1.423) 2.347 29.467 ( 1.155 1.467 -1.423) 2.347 29.822 ( -1.527 -11.932 9.541) 15.354 29.822 ( -1.527 11.932 9.541) 15.354 30.247 ( -2.478 -7.345 -7.288) 10.640 30.247 ( -2.478 7.345 -7.288) 10.640 30.290 ( 0.019 -1.051 -0.262) 1.083 30.290 ( 0.019 1.051 -0.262) 1.083 30.494 ( 2.731 -8.415 -8.004) 11.930 30.494 ( 2.731 8.415 -8.004) 11.930 31.447 ( -0.885 -3.978 3.068) 5.101 31.447 ( -0.885 3.978 3.068) 5.101 31.615 ( 2.622 -11.367 -12.123) 16.824 31.615 ( 2.622 11.367 -12.123) 16.824 31.971 ( 0.765 -3.916 1.239) 4.178 31.971 ( 0.765 3.916 1.239) 4.178 32.022 ( -2.500 -7.700 -4.376) 9.202 32.022 ( -2.500 7.700 -4.376) 9.202 32.131 ( -3.986 -0.460 0.004) 4.013 32.131 ( -3.986 0.460 0.004) 4.013 32.217 ( 3.507 -2.202 -2.950) 5.084 32.217 ( 3.507 2.202 -2.950) 5.084 33.175 ( 0.184 -0.599 0.770) 0.993 33.175 ( 0.184 0.599 0.770) 0.993 33.481 ( -0.263 -2.616 -5.372) 5.981 33.481 ( -0.263 2.616 -5.372) 5.981 34.311 ( 5.168 -1.358 3.378) 6.322 34.311 ( 5.168 1.358 3.378) 6.322 34.461 ( -2.105 -2.242 -0.496) 3.115 34.461 ( -2.105 2.242 -0.496) 3.115 34.973 ( -1.931 -1.934 1.737) 3.238 34.973 ( -1.931 1.934 1.737) 3.238 35.089 ( 1.033 -1.822 -1.159) 2.394 35.089 ( 1.033 1.822 -1.159) 2.394 35.335 ( -0.146 -2.435 2.982) 3.852 35.335 ( -0.146 2.435 2.982) 3.852 35.383 ( 0.673 -2.021 -1.750) 2.757 35.383 ( 0.673 2.021 -1.750) 2.757 37.139 ( -2.137 -18.907 20.794) 28.186 37.139 ( -2.137 18.907 20.794) 28.186 37.851 ( 0.859 -10.268 -8.201) 13.169 37.851 ( 0.859 10.268 -8.201) 13.169 ======================= Grid point 110 (62/69) ======================= q-point: ( 0.11 -0.50 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 68 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.145 ( 3.963 -12.314 8.218) 15.326 1.145 ( 3.963 12.314 8.218) 15.326 1.478 ( 10.340 -10.165 -7.832) 16.480 1.478 ( 10.340 10.165 -7.832) 16.480 1.717 ( 4.697 -1.942 -1.303) 5.247 1.717 ( 4.697 1.942 -1.303) 5.247 1.987 ( -0.557 -4.133 -1.220) 4.345 1.987 ( -0.557 4.133 -1.220) 4.345 2.194 ( -5.381 -2.644 -5.764) 8.316 2.194 ( -5.381 2.644 -5.764) 8.316 2.333 ( 4.009 -2.298 3.898) 6.046 2.333 ( 4.009 2.298 3.898) 6.046 2.450 ( -4.447 -4.031 0.039) 6.003 2.450 ( -4.447 4.031 0.039) 6.003 2.643 ( 1.539 -2.922 2.412) 4.090 2.643 ( 1.539 2.922 2.412) 4.090 2.729 ( 6.378 -3.013 -2.034) 7.342 2.729 ( 6.378 3.013 -2.034) 7.342 2.818 ( 9.115 -1.704 3.761) 10.007 2.818 ( 9.115 1.704 3.761) 10.007 2.861 ( -1.261 -1.806 -1.394) 2.607 2.861 ( -1.261 1.806 -1.394) 2.607 3.006 ( 1.246 -5.651 2.959) 6.499 3.006 ( 1.246 5.651 2.959) 6.499 3.173 ( -2.317 -3.619 -2.250) 4.851 3.173 ( -2.317 3.619 -2.250) 4.851 3.277 ( 5.342 -4.941 -0.386) 7.287 3.277 ( 5.342 4.941 -0.386) 7.287 3.413 ( 6.758 -3.196 -0.620) 7.501 3.413 ( 6.758 3.196 -0.620) 7.501 3.696 ( 0.171 -4.674 -0.793) 4.744 3.696 ( 0.171 4.674 -0.793) 4.744 3.803 ( -4.574 -5.288 -0.241) 6.996 3.803 ( -4.574 5.288 -0.241) 6.996 3.916 ( -0.433 -1.835 -1.970) 2.727 3.916 ( -0.433 1.835 -1.970) 2.727 4.232 ( -0.818 -6.355 0.126) 6.409 4.232 ( -0.818 6.355 0.126) 6.409 4.293 ( 2.422 -9.446 -0.219) 9.754 4.293 ( 2.422 9.446 -0.219) 9.754 4.433 ( -1.684 -7.074 -1.221) 7.373 4.433 ( -1.684 7.074 -1.221) 7.373 4.503 ( -3.454 -1.447 -0.326) 3.759 4.503 ( -3.454 1.447 -0.326) 3.759 4.591 ( -0.150 -4.469 -1.697) 4.783 4.591 ( -0.150 4.469 -1.697) 4.783 4.642 ( 0.854 -3.664 3.087) 4.867 4.642 ( 0.854 3.664 3.087) 4.867 4.902 ( -0.307 -3.469 3.062) 4.637 4.902 ( -0.307 3.469 3.062) 4.637 4.984 ( -0.219 -4.239 1.068) 4.377 4.984 ( -0.219 4.239 1.068) 4.377 5.190 ( 1.595 -0.399 -1.986) 2.578 5.190 ( 1.595 0.399 -1.986) 2.578 5.287 ( 2.429 -5.690 -0.272) 6.192 5.287 ( 2.429 5.690 -0.272) 6.192 5.413 ( -2.081 -4.257 -1.336) 4.923 5.413 ( -2.081 4.257 -1.336) 4.923 5.521 ( -3.120 -1.073 0.031) 3.300 5.521 ( -3.120 1.073 0.031) 3.300 5.823 ( -0.349 -2.090 -1.048) 2.364 5.823 ( -0.349 2.090 -1.048) 2.364 6.031 ( 0.960 -3.430 0.484) 3.595 6.031 ( 0.960 3.430 0.484) 3.595 6.090 ( 6.066 -3.797 4.684) 8.553 6.090 ( 6.066 3.797 4.684) 8.553 6.236 ( 0.763 -0.868 -2.411) 2.674 6.236 ( 0.763 0.868 -2.411) 2.674 6.514 ( -5.171 -3.131 3.152) 6.817 6.514 ( -5.171 3.131 3.152) 6.817 6.681 ( 3.369 -2.787 -0.729) 4.433 6.681 ( 3.369 2.787 -0.729) 4.433 6.814 ( -3.146 -5.410 -1.570) 6.452 6.814 ( -3.146 5.410 -1.570) 6.452 6.974 ( 0.764 -5.521 -0.998) 5.662 6.974 ( 0.764 5.521 -0.998) 5.662 8.311 ( -16.925 -1.205 -0.417) 16.973 8.311 ( -16.925 1.205 -0.417) 16.973 8.361 ( -15.497 -3.281 0.982) 15.871 8.361 ( -15.497 3.281 0.982) 15.871 8.740 ( 3.049 -5.734 -1.259) 6.615 8.740 ( 3.049 5.734 -1.259) 6.615 8.845 ( 3.803 -4.119 0.324) 5.616 8.845 ( 3.803 4.119 0.324) 5.616 8.938 ( 4.344 -2.275 -0.212) 4.908 8.938 ( 4.344 2.275 -0.212) 4.908 9.060 ( 2.175 -0.966 0.516) 2.435 9.060 ( 2.175 0.966 0.516) 2.435 9.312 ( 1.464 -0.388 1.440) 2.090 9.312 ( 1.464 0.388 1.440) 2.090 9.397 ( 3.600 -1.022 -0.322) 3.757 9.397 ( 3.600 1.022 -0.322) 3.757 9.799 ( 1.179 -2.581 -1.688) 3.302 9.799 ( 1.179 2.581 -1.688) 3.302 9.989 ( -4.691 -1.639 0.710) 5.020 9.989 ( -4.691 1.639 0.710) 5.020 10.242 ( -7.097 -1.960 1.580) 7.531 10.242 ( -7.097 1.960 1.580) 7.531 10.282 ( -7.183 -3.024 -0.988) 7.855 10.282 ( -7.183 3.024 -0.988) 7.855 10.724 ( -5.746 -1.343 -0.452) 5.918 10.724 ( -5.746 1.343 -0.452) 5.918 10.777 ( -3.339 -2.339 0.923) 4.180 10.777 ( -3.339 2.339 0.923) 4.180 11.202 ( 7.421 -1.520 -0.030) 7.575 11.202 ( 7.421 1.520 -0.030) 7.575 11.306 ( 6.651 -1.491 -0.066) 6.816 11.306 ( 6.651 1.491 -0.066) 6.816 11.831 ( 2.405 -2.130 -0.174) 3.217 11.831 ( 2.405 2.130 -0.174) 3.217 11.904 ( -2.261 -1.329 0.819) 2.747 11.904 ( -2.261 1.329 0.819) 2.747 12.079 ( -3.021 -0.351 1.025) 3.209 12.079 ( -3.021 0.351 1.025) 3.209 12.187 ( -3.011 -2.146 -1.650) 4.050 12.187 ( -3.011 2.146 -1.650) 4.050 12.607 ( 2.095 -1.760 0.611) 2.803 12.607 ( 2.095 1.760 0.611) 2.803 12.698 ( 1.444 -2.680 -0.519) 3.088 12.698 ( 1.444 2.680 -0.519) 3.088 13.181 ( 5.621 -3.723 -0.418) 6.755 13.181 ( 5.621 3.723 -0.418) 6.755 13.215 ( 5.804 -4.216 0.375) 7.183 13.215 ( 5.804 4.216 0.375) 7.183 14.056 ( -5.514 -1.429 0.763) 5.747 14.056 ( -5.514 1.429 0.763) 5.747 14.107 ( -6.774 -3.406 -0.932) 7.640 14.107 ( -6.774 3.406 -0.932) 7.640 14.340 ( 4.699 -4.877 0.525) 6.793 14.340 ( 4.699 4.877 0.525) 6.793 14.523 ( -0.047 -6.074 -0.642) 6.108 14.523 ( -0.047 6.074 -0.642) 6.108 14.762 ( 12.004 -5.696 2.311) 13.487 14.762 ( 12.004 5.696 2.311) 13.487 14.804 ( 14.809 -5.371 -2.994) 16.034 14.804 ( 14.809 5.371 -2.994) 16.034 15.251 ( -1.402 -6.785 2.227) 7.277 15.251 ( -1.402 6.785 2.227) 7.277 15.377 ( -4.373 -6.794 -2.899) 8.584 15.377 ( -4.373 6.794 -2.899) 8.584 15.588 ( -0.305 -2.014 -2.419) 3.162 15.588 ( -0.305 2.014 -2.419) 3.162 15.690 ( -0.944 -3.817 3.364) 5.175 15.690 ( -0.944 3.817 3.364) 5.175 16.245 ( 2.610 -0.598 -0.383) 2.705 16.245 ( 2.610 0.598 -0.383) 2.705 16.312 ( 5.861 -0.949 1.391) 6.098 16.312 ( 5.861 0.949 1.391) 6.098 17.070 ( -0.129 -0.613 0.084) 0.632 17.070 ( -0.129 0.613 0.084) 0.632 17.121 ( 0.536 -0.905 -0.430) 1.136 17.121 ( 0.536 0.905 -0.430) 1.136 19.501 ( 1.553 -0.564 -0.468) 1.717 19.501 ( 1.553 0.564 -0.468) 1.717 19.677 ( 2.632 -0.315 0.742) 2.752 19.677 ( 2.632 0.315 0.742) 2.752 20.496 ( -5.928 -1.941 1.298) 6.371 20.496 ( -5.928 1.941 1.298) 6.371 20.658 ( -2.214 -1.428 -1.195) 2.893 20.658 ( -2.214 1.428 -1.195) 2.893 21.636 ( 5.721 -0.172 -1.331) 5.876 21.636 ( 5.721 0.172 -1.331) 5.876 21.747 ( 5.747 -1.072 1.259) 5.980 21.747 ( 5.747 1.072 1.259) 5.980 22.821 ( -3.672 -1.359 -0.473) 3.944 22.821 ( -3.672 1.359 -0.473) 3.944 23.127 ( -7.386 -0.617 0.695) 7.445 23.127 ( -7.386 0.617 0.695) 7.445 26.643 ( 10.646 -1.438 0.152) 10.744 26.643 ( 10.646 1.438 0.152) 10.744 26.729 ( 13.074 -1.844 -0.207) 13.205 26.729 ( 13.074 1.844 -0.207) 13.205 29.235 ( -21.113 -4.100 0.137) 21.508 29.235 ( -21.113 4.100 0.137) 21.508 29.283 ( -16.462 -2.434 -0.500) 16.649 29.283 ( -16.462 2.434 -0.500) 16.649 30.046 ( 13.798 -4.123 -0.559) 14.411 30.046 ( 13.798 4.123 -0.559) 14.411 30.233 ( 3.994 -6.045 3.593) 8.088 30.233 ( 3.994 6.045 3.593) 8.088 30.330 ( 5.923 -1.197 1.846) 6.319 30.330 ( 5.923 1.197 1.846) 6.319 30.513 ( 6.920 -4.534 -3.403) 8.945 30.513 ( 6.920 4.534 -3.403) 8.945 31.429 ( -6.671 -6.979 1.549) 9.778 31.429 ( -6.671 6.979 1.549) 9.778 31.484 ( -5.842 -5.428 -2.353) 8.314 31.484 ( -5.842 5.428 -2.353) 8.314 31.919 ( -3.926 -4.597 0.046) 6.046 31.919 ( -3.926 4.597 0.046) 6.046 31.984 ( -0.654 -4.173 1.605) 4.519 31.984 ( -0.654 4.173 1.605) 4.519 32.233 ( 11.735 -1.200 2.827) 12.130 32.233 ( 11.735 1.200 2.827) 12.130 32.350 ( 13.924 -0.482 -1.683) 14.034 32.350 ( 13.924 0.482 -1.683) 14.034 33.175 ( -0.625 -0.174 -0.504) 0.822 33.175 ( -0.625 0.174 -0.504) 0.822 33.434 ( -2.446 -0.518 0.984) 2.687 33.434 ( -2.446 0.518 0.984) 2.687 34.265 ( -6.083 -3.382 -5.682) 8.984 34.265 ( -6.083 3.382 -5.682) 8.984 34.514 ( 5.225 -2.296 1.177) 5.828 34.514 ( 5.225 2.296 1.177) 5.828 34.983 ( -0.251 -2.606 2.972) 3.961 34.983 ( -0.251 2.606 2.972) 3.961 35.090 ( 1.080 -1.576 -1.726) 2.575 35.090 ( 1.080 1.576 -1.726) 2.575 35.336 ( -1.178 -1.769 -0.256) 2.140 35.336 ( -1.178 1.769 -0.256) 2.140 35.394 ( 1.989 -2.272 -0.655) 3.090 35.394 ( 1.989 2.272 -0.655) 3.090 37.203 ( -5.836 -0.476 1.464) 6.035 37.203 ( -5.836 0.476 1.464) 6.035 37.718 ( -10.302 -2.190 -0.855) 10.567 37.718 ( -10.302 2.190 -0.855) 10.567 ======================= Grid point 112 (63/69) ======================= q-point: ( 0.22 -0.50 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 68 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.376 ( 12.954 -7.653 -2.680) 15.283 1.376 ( 12.954 7.653 -2.680) 15.283 1.513 ( 7.851 -4.579 -3.180) 9.629 1.513 ( 7.851 4.579 -3.180) 9.629 1.804 ( 6.402 -5.450 0.659) 8.434 1.804 ( 6.402 5.450 0.659) 8.434 1.974 ( 4.083 -5.814 -0.323) 7.112 1.974 ( 4.083 5.814 -0.323) 7.112 2.113 ( 1.474 -2.760 -5.400) 6.242 2.113 ( 1.474 2.760 -5.400) 6.242 2.308 ( -0.856 -7.220 -7.267) 10.279 2.308 ( -0.856 7.220 -7.267) 10.279 2.483 ( 4.823 -2.140 4.990) 7.262 2.483 ( 4.823 2.140 4.990) 7.262 2.642 ( -2.159 -1.008 -5.712) 6.189 2.642 ( -2.159 1.008 -5.712) 6.189 2.768 ( -1.038 -3.594 0.028) 3.741 2.768 ( -1.038 3.594 0.028) 3.741 2.843 ( 4.185 -4.770 1.974) 6.646 2.843 ( 4.185 4.770 1.974) 6.646 2.964 ( 2.136 -0.677 -0.392) 2.275 2.964 ( 2.136 0.677 -0.392) 2.275 3.072 ( 1.865 -1.725 2.684) 3.696 3.072 ( 1.865 1.725 2.684) 3.696 3.209 ( 6.074 -1.347 1.759) 6.465 3.209 ( 6.074 1.347 1.759) 6.465 3.363 ( 6.200 -4.765 -0.740) 7.854 3.363 ( 6.200 4.765 -0.740) 7.854 3.472 ( 3.297 -2.416 -1.368) 4.310 3.472 ( 3.297 2.416 -1.368) 4.310 3.689 ( -0.322 -7.721 -2.387) 8.088 3.689 ( -0.322 7.721 -2.387) 8.088 3.759 ( 2.455 -6.282 -1.188) 6.849 3.759 ( 2.455 6.282 -1.188) 6.849 3.875 ( -1.208 -4.978 -1.111) 5.241 3.875 ( -1.208 4.978 -1.111) 5.241 4.195 ( -0.326 -10.893 -11.368) 15.748 4.195 ( -0.326 10.893 -11.368) 15.748 4.226 ( 0.410 -3.968 -0.720) 4.054 4.226 ( 0.410 3.968 -0.720) 4.054 4.430 ( -4.084 -7.195 2.187) 8.558 4.430 ( -4.084 7.195 2.187) 8.558 4.511 ( 0.094 -4.184 3.237) 5.291 4.511 ( 0.094 4.184 3.237) 5.291 4.583 ( 0.535 -2.996 4.191) 5.179 4.583 ( 0.535 2.996 4.191) 5.179 4.694 ( -1.870 -3.219 4.365) 5.737 4.694 ( -1.870 3.219 4.365) 5.737 4.918 ( 0.410 -5.720 1.856) 6.027 4.918 ( 0.410 5.720 1.856) 6.027 5.048 ( 0.625 -1.932 5.729) 6.078 5.048 ( 0.625 1.932 5.729) 6.078 5.230 ( 4.387 -1.732 -0.996) 4.821 5.230 ( 4.387 1.732 -0.996) 4.821 5.258 ( -1.380 -7.771 -2.702) 8.343 5.258 ( -1.380 7.771 -2.702) 8.343 5.401 ( -0.341 -1.589 2.149) 2.695 5.401 ( -0.341 1.589 2.149) 2.695 5.459 ( -4.839 -1.234 0.454) 5.015 5.459 ( -4.839 1.234 0.454) 5.015 5.851 ( 4.305 -0.950 0.150) 4.411 5.851 ( 4.305 0.950 0.150) 4.411 6.024 ( 0.230 -2.287 -0.840) 2.448 6.024 ( 0.230 2.287 -0.840) 2.448 6.186 ( -1.102 -1.447 -3.270) 3.742 6.186 ( -1.102 1.447 -3.270) 3.742 6.288 ( 7.446 -4.924 4.285) 9.902 6.288 ( 7.446 4.924 4.285) 9.902 6.476 ( -3.276 -3.591 2.074) 5.285 6.476 ( -3.276 3.591 2.074) 5.285 6.694 ( -3.216 -5.652 -1.130) 6.600 6.694 ( -3.216 5.652 -1.130) 6.600 6.768 ( 2.931 -2.323 -0.785) 3.821 6.768 ( 2.931 2.323 -0.785) 3.821 6.972 ( 1.141 -5.545 -1.368) 5.824 6.972 ( 1.141 5.545 -1.368) 5.824 8.003 ( -21.595 -2.235 -0.033) 21.710 8.003 ( -21.595 2.235 -0.033) 21.710 8.109 ( -17.350 -5.311 0.671) 18.157 8.109 ( -17.350 5.311 0.671) 18.157 8.769 ( 2.053 -4.972 -1.018) 5.475 8.769 ( 2.053 4.972 -1.018) 5.475 8.870 ( 0.047 -1.387 1.065) 1.750 8.870 ( 0.047 1.387 1.065) 1.750 9.016 ( 4.560 -2.124 -0.082) 5.031 9.016 ( 4.560 2.124 -0.082) 5.031 9.106 ( 2.407 -1.129 1.048) 2.858 9.106 ( 2.407 1.129 1.048) 2.858 9.373 ( 3.957 -1.162 1.516) 4.393 9.373 ( 3.957 1.162 1.516) 4.393 9.446 ( 3.285 -0.753 -1.108) 3.548 9.446 ( 3.285 0.753 -1.108) 3.548 9.770 ( -0.618 -2.196 -3.855) 4.479 9.770 ( -0.618 2.196 -3.855) 4.479 9.908 ( -8.561 -2.400 2.134) 9.143 9.908 ( -8.561 2.400 2.134) 9.143 10.103 ( -10.914 -3.874 -2.434) 11.834 10.103 ( -10.914 3.874 -2.434) 11.834 10.180 ( -5.254 -1.959 3.105) 6.410 10.180 ( -5.254 1.959 3.105) 6.410 10.618 ( -6.342 -1.410 -0.216) 6.501 10.618 ( -6.342 1.410 -0.216) 6.501 10.715 ( -5.637 -2.195 0.636) 6.083 10.715 ( -5.637 2.195 0.636) 6.083 11.332 ( 8.904 -0.861 -0.014) 8.945 11.332 ( 8.904 0.861 -0.014) 8.945 11.433 ( 8.386 -1.884 0.035) 8.595 11.433 ( 8.386 1.884 0.035) 8.595 11.818 ( -3.542 -0.820 -0.417) 3.660 11.818 ( -3.542 0.820 -0.417) 3.660 11.904 ( 1.276 -3.277 0.214) 3.523 11.904 ( 1.276 3.277 0.214) 3.523 12.031 ( -3.046 -1.673 -0.041) 3.475 12.031 ( -3.046 1.673 -0.041) 3.475 12.141 ( -1.302 -4.058 -0.130) 4.264 12.141 ( -1.302 4.058 -0.130) 4.264 12.666 ( 3.685 -0.741 1.017) 3.894 12.666 ( 3.685 0.741 1.017) 3.894 12.709 ( 0.952 -1.704 -0.973) 2.182 12.709 ( 0.952 1.704 -0.973) 2.182 13.281 ( 6.933 -7.910 -0.135) 10.519 13.281 ( 6.933 7.910 -0.135) 10.519 13.325 ( 7.303 -7.696 0.249) 10.613 13.325 ( 7.303 7.696 0.249) 10.613 13.990 ( -3.105 -2.927 0.388) 4.285 13.990 ( -3.105 2.927 0.388) 4.285 14.002 ( -3.791 -4.195 -0.576) 5.684 14.002 ( -3.791 4.195 -0.576) 5.684 14.432 ( 3.940 -9.084 -0.467) 9.913 14.432 ( 3.940 9.084 -0.467) 9.913 14.492 ( -2.854 -7.541 -0.511) 8.079 14.492 ( -2.854 7.541 -0.511) 8.079 14.932 ( 7.630 -4.436 -0.424) 8.836 14.932 ( 7.630 4.436 -0.424) 8.836 15.015 ( 10.720 -3.803 0.296) 11.379 15.015 ( 10.720 3.803 0.296) 11.379 15.261 ( 0.617 -5.333 0.445) 5.387 15.261 ( 0.617 5.333 0.445) 5.387 15.289 ( -2.236 -2.787 0.123) 3.575 15.289 ( -2.236 2.787 0.123) 3.575 15.570 ( 3.283 -0.715 -2.358) 4.105 15.570 ( 3.283 0.715 -2.358) 4.105 15.762 ( 3.297 -2.468 4.504) 6.103 15.762 ( 3.297 2.468 4.504) 6.103 16.276 ( 1.632 -0.380 -0.623) 1.788 16.276 ( 1.632 0.380 -0.623) 1.788 16.413 ( 3.081 -1.746 2.371) 4.262 16.413 ( 3.081 1.746 2.371) 4.262 17.078 ( 1.267 -1.184 -0.061) 1.735 17.078 ( 1.267 1.184 -0.061) 1.735 17.124 ( 0.645 -0.472 -0.517) 0.952 17.124 ( 0.645 0.472 -0.517) 0.952 19.541 ( 4.252 -1.035 0.041) 4.377 19.541 ( 4.252 1.035 0.041) 4.377 19.759 ( 6.244 -1.033 1.737) 6.563 19.759 ( 6.244 1.033 1.737) 6.563 20.393 ( -8.789 -2.212 1.079) 9.127 20.393 ( -8.789 2.212 1.079) 9.127 20.587 ( -5.383 -2.221 -0.645) 5.859 20.587 ( -5.383 2.221 -0.645) 5.859 21.745 ( 10.231 -0.588 -1.272) 10.327 21.745 ( 10.231 0.588 -1.272) 10.327 21.880 ( 9.267 -0.989 0.876) 9.361 21.880 ( 9.267 0.989 0.876) 9.361 22.738 ( -6.699 -2.764 0.106) 7.247 22.738 ( -6.699 2.764 0.106) 7.247 22.983 ( -11.118 -1.364 -0.066) 11.201 22.983 ( -11.118 1.364 -0.066) 11.201 26.863 ( 17.104 -3.520 -0.820) 17.482 26.863 ( 17.104 3.520 -0.820) 17.482 27.004 ( 20.081 -6.764 2.781) 21.371 27.004 ( 20.081 6.764 2.781) 21.371 28.894 ( -21.993 -3.885 0.253) 22.335 28.894 ( -21.993 3.885 0.253) 22.335 28.964 ( -23.033 -1.563 -0.571) 23.093 28.964 ( -23.033 1.563 -0.571) 23.093 30.195 ( 9.535 -5.743 -1.840) 11.281 30.195 ( 9.535 5.743 -1.840) 11.281 30.310 ( 3.399 -3.376 0.415) 4.808 30.310 ( 3.399 3.376 0.415) 4.808 30.515 ( 11.355 -5.473 -0.796) 12.630 30.515 ( 11.355 5.473 -0.796) 12.630 30.648 ( 8.079 -7.806 7.446) 13.478 30.648 ( 8.079 7.806 7.446) 13.478 31.269 ( -10.771 -3.199 -1.564) 11.344 31.269 ( -10.771 3.199 -1.564) 11.344 31.412 ( -8.852 -3.831 6.023) 11.372 31.412 ( -8.852 3.831 6.023) 11.372 31.902 ( 0.956 -4.508 0.284) 4.617 31.902 ( 0.956 4.508 0.284) 4.617 32.039 ( 1.785 -11.530 6.781) 13.495 32.039 ( 1.785 11.530 6.781) 13.495 32.479 ( 12.413 -1.781 5.721) 13.784 32.479 ( 12.413 1.781 5.721) 13.784 32.564 ( 15.180 -0.975 -1.461) 15.282 32.564 ( 15.180 0.975 -1.461) 15.282 33.146 ( -1.473 -1.033 -1.511) 2.349 33.146 ( -1.473 1.033 -1.511) 2.349 33.420 ( -4.547 -2.311 5.278) 7.340 33.420 ( -4.547 2.311 5.278) 7.340 34.093 ( -5.700 -2.612 -6.358) 8.930 34.093 ( -5.700 2.612 -6.358) 8.930 34.581 ( 3.958 -1.934 -2.347) 4.992 34.581 ( 3.958 1.934 -2.347) 4.992 35.024 ( -0.645 -4.329 4.900) 6.570 35.024 ( -0.645 4.329 4.900) 6.570 35.086 ( 1.935 -1.737 -2.745) 3.781 35.086 ( 1.935 1.737 -2.745) 3.781 35.309 ( 0.154 -0.939 -2.873) 3.026 35.309 ( 0.154 0.939 -2.873) 3.026 35.414 ( 1.136 -1.982 -0.449) 2.328 35.414 ( 1.136 1.982 -0.449) 2.328 37.013 ( -5.183 -14.488 -16.862) 22.828 37.013 ( -5.183 14.488 -16.862) 22.828 37.546 ( -16.507 -7.606 7.032) 19.488 37.546 ( -16.507 7.606 7.032) 19.488 ======================= Grid point 114 (64/69) ======================= q-point: ( 0.33 -0.50 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 68 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.429 ( 9.433 -7.101 -3.108) 12.209 1.429 ( 9.433 7.101 -3.108) 12.209 1.710 ( 11.927 -6.984 -3.995) 14.387 1.710 ( 11.927 6.984 -3.995) 14.387 1.869 ( -1.168 -4.996 2.612) 5.757 1.869 ( -1.168 4.996 2.612) 5.757 2.015 ( 0.947 -4.670 -5.582) 7.339 2.015 ( 0.947 4.670 -5.582) 7.339 2.182 ( 12.420 -6.405 0.197) 13.975 2.182 ( 12.420 6.405 0.197) 13.975 2.278 ( 2.976 -6.636 -2.834) 7.805 2.278 ( 2.976 6.636 -2.834) 7.805 2.483 ( -1.920 -3.537 -1.030) 4.154 2.483 ( -1.920 3.537 -1.030) 4.154 2.649 ( 2.684 -1.941 0.190) 3.318 2.649 ( 2.684 1.941 0.190) 3.318 2.760 ( 2.570 -2.495 -1.092) 3.744 2.760 ( 2.570 2.495 -1.092) 3.744 2.883 ( 0.621 -3.181 -2.727) 4.236 2.883 ( 0.621 3.181 -2.727) 4.236 3.003 ( 1.553 -5.819 2.736) 6.615 3.003 ( 1.553 5.819 2.736) 6.615 3.101 ( 0.221 -2.736 2.471) 3.693 3.101 ( 0.221 2.736 2.471) 3.693 3.278 ( 2.121 -3.524 -1.555) 4.397 3.278 ( 2.121 3.524 -1.555) 4.397 3.426 ( 3.385 -0.861 0.529) 3.532 3.426 ( 3.385 0.861 0.529) 3.532 3.559 ( 4.041 -3.294 2.258) 5.681 3.559 ( 4.041 3.294 2.258) 5.681 3.659 ( 1.893 -7.134 -2.737) 7.872 3.659 ( 1.893 7.134 -2.737) 7.872 3.783 ( 1.956 -6.173 0.097) 6.476 3.783 ( 1.956 6.173 0.097) 6.476 3.907 ( 6.575 -4.496 -3.214) 8.589 3.907 ( 6.575 4.496 -3.214) 8.589 4.123 ( 3.395 -7.385 -4.076) 9.092 4.123 ( 3.395 7.385 -4.076) 9.092 4.245 ( 0.875 -1.202 2.037) 2.522 4.245 ( 0.875 1.202 2.037) 2.522 4.389 ( -1.640 -6.775 -0.848) 7.022 4.389 ( -1.640 6.775 -0.848) 7.022 4.495 ( -4.080 -1.350 1.674) 4.612 4.495 ( -4.080 1.350 1.674) 4.612 4.629 ( -4.650 -3.913 -2.516) 6.578 4.629 ( -4.650 3.913 -2.516) 6.578 4.684 ( -0.858 -5.583 6.353) 8.501 4.684 ( -0.858 5.583 6.353) 8.501 4.968 ( 0.825 -5.136 2.203) 5.649 4.968 ( 0.825 5.136 2.203) 5.649 5.070 ( -2.343 -5.040 0.989) 5.646 5.070 ( -2.343 5.040 0.989) 5.646 5.189 ( -1.285 -5.001 0.008) 5.163 5.189 ( -1.285 5.001 0.008) 5.163 5.335 ( 1.784 -4.516 2.766) 5.588 5.335 ( 1.784 4.516 2.766) 5.588 5.398 ( -2.239 -0.649 1.333) 2.685 5.398 ( -2.239 0.649 1.333) 2.685 5.442 ( 1.614 -6.624 4.354) 8.089 5.442 ( 1.614 6.624 4.354) 8.089 5.924 ( 4.176 -2.861 -0.957) 5.152 5.924 ( 4.176 2.861 -0.957) 5.152 6.044 ( 3.780 -0.593 -0.763) 3.901 6.044 ( 3.780 0.593 -0.763) 3.901 6.124 ( -1.271 -2.392 -3.524) 4.444 6.124 ( -1.271 2.392 -3.524) 4.444 6.353 ( -1.752 -5.157 -0.497) 5.469 6.353 ( -1.752 5.157 -0.497) 5.469 6.477 ( 0.197 -2.648 1.915) 3.274 6.477 ( 0.197 2.648 1.915) 3.274 6.625 ( -2.425 -3.414 -0.591) 4.230 6.625 ( -2.425 3.414 -0.591) 4.230 6.852 ( 5.480 -2.028 1.741) 6.098 6.852 ( 5.480 2.028 1.741) 6.098 7.002 ( 5.327 -4.772 -1.601) 7.329 7.002 ( 5.327 4.772 -1.601) 7.329 7.677 ( -20.066 -2.290 0.933) 20.218 7.677 ( -20.066 2.290 0.933) 20.218 7.860 ( -15.208 -7.272 0.215) 16.859 7.860 ( -15.208 7.272 0.215) 16.859 8.779 ( 0.919 -2.661 -1.030) 2.998 8.779 ( 0.919 2.661 -1.030) 2.998 8.885 ( 0.017 -0.620 1.391) 1.523 8.885 ( 0.017 0.620 1.391) 1.523 9.071 ( 2.488 -2.409 0.529) 3.503 9.071 ( 2.488 2.409 0.529) 3.503 9.151 ( 1.822 -1.036 0.750) 2.226 9.151 ( 1.822 1.036 0.750) 2.226 9.451 ( 3.124 -1.362 1.599) 3.764 9.451 ( 3.124 1.362 1.599) 3.764 9.479 ( 3.762 -1.709 -1.695) 4.466 9.479 ( 3.762 1.709 -1.695) 4.466 9.691 ( -6.968 -1.988 -0.935) 7.306 9.691 ( -6.968 1.988 -0.935) 7.306 9.803 ( -4.175 -0.532 -0.764) 4.277 9.803 ( -4.175 0.532 -0.764) 4.277 9.899 ( -9.694 -3.963 -3.327) 10.989 9.899 ( -9.694 3.963 -3.327) 10.989 10.146 ( -4.013 -2.815 1.500) 5.127 10.146 ( -4.013 2.815 1.500) 5.127 10.549 ( -2.867 -1.636 1.046) 3.462 10.549 ( -2.867 1.636 1.046) 3.462 10.633 ( -4.758 -1.443 -0.291) 4.980 10.633 ( -4.758 1.443 -0.291) 4.980 11.461 ( 7.006 -1.206 0.351) 7.118 11.461 ( 7.006 1.206 0.351) 7.118 11.531 ( 4.312 -1.548 -0.273) 4.590 11.531 ( 4.312 1.548 -0.273) 4.590 11.766 ( -2.422 -0.557 0.305) 2.504 11.766 ( -2.422 0.557 0.305) 2.504 11.897 ( -1.273 -0.614 -1.681) 2.196 11.897 ( -1.273 0.614 -1.681) 2.196 12.009 ( -0.213 -1.890 0.330) 1.930 12.009 ( -0.213 1.890 0.330) 1.930 12.138 ( 0.642 -2.302 0.283) 2.407 12.138 ( 0.642 2.302 0.283) 2.407 12.697 ( 0.146 -3.459 -1.555) 3.795 12.697 ( 0.146 3.459 -1.555) 3.795 12.729 ( 1.773 -2.847 1.174) 3.553 12.729 ( 1.773 2.847 1.174) 3.553 13.374 ( 4.993 -8.528 0.002) 9.883 13.374 ( 4.993 8.528 0.002) 9.883 13.425 ( 4.785 -8.126 0.041) 9.430 13.425 ( 4.785 8.126 0.041) 9.430 13.982 ( 2.472 -0.716 0.165) 2.579 13.982 ( 2.472 0.716 0.165) 2.579 14.001 ( 3.436 -3.378 -0.341) 4.831 14.001 ( 3.436 3.378 -0.341) 4.831 14.395 ( -6.015 -6.280 -0.761) 8.729 14.395 ( -6.015 6.280 -0.761) 8.729 14.444 ( -3.704 -10.531 -0.579) 11.178 14.444 ( -3.704 10.531 -0.579) 11.178 14.986 ( 0.068 -2.686 0.038) 2.687 14.986 ( 0.068 2.686 0.038) 2.687 15.066 ( -2.339 -3.857 0.113) 4.513 15.066 ( -2.339 3.857 0.113) 4.513 15.275 ( 4.420 -2.402 -1.196) 5.170 15.275 ( 4.420 2.402 -1.196) 5.170 15.359 ( 5.856 -1.678 0.533) 6.115 15.359 ( 5.856 1.678 0.533) 6.115 15.663 ( 8.917 -1.381 0.415) 9.033 15.663 ( 8.917 1.381 0.415) 9.033 15.851 ( 2.617 -1.305 2.192) 3.655 15.851 ( 2.617 1.305 2.192) 3.655 16.281 ( -0.088 -0.431 -0.003) 0.440 16.281 ( -0.088 0.431 -0.003) 0.440 16.436 ( -2.412 -1.576 1.163) 3.107 16.436 ( -2.412 1.576 1.163) 3.107 17.099 ( 1.878 -2.008 -1.484) 3.124 17.099 ( 1.878 2.008 -1.484) 3.124 17.135 ( 0.758 -0.906 1.001) 1.549 17.135 ( 0.758 0.906 1.001) 1.549 19.633 ( 7.172 -2.099 0.323) 7.480 19.633 ( 7.172 2.099 0.323) 7.480 19.890 ( 6.781 -2.008 2.015) 7.353 19.890 ( 6.781 2.008 2.015) 7.353 20.257 ( -9.697 -1.361 0.650) 9.814 20.257 ( -9.697 1.361 0.650) 9.814 20.492 ( -6.161 -2.331 0.485) 6.605 20.492 ( -6.161 2.331 0.485) 6.605 21.916 ( 12.600 -1.567 -0.259) 12.699 21.916 ( 12.600 1.567 -0.259) 12.699 22.034 ( 9.526 -0.962 -0.024) 9.575 22.034 ( 9.526 0.962 -0.024) 9.575 22.621 ( -8.520 -3.815 0.248) 9.338 22.621 ( -8.520 3.815 0.248) 9.338 22.803 ( -11.076 -1.533 -0.610) 11.198 22.803 ( -11.076 1.533 -0.610) 11.198 27.133 ( 19.029 -4.797 -1.012) 19.651 27.133 ( 19.029 4.797 -1.012) 19.651 27.357 ( 18.636 -11.734 3.763) 22.342 27.357 ( 18.636 11.734 3.763) 22.342 28.573 ( -22.923 -5.681 1.506) 23.664 28.573 ( -22.923 5.681 1.506) 23.664 28.603 ( -19.003 -8.180 -0.875) 20.708 28.603 ( -19.003 8.180 -0.875) 20.708 30.307 ( 6.220 -4.024 -0.611) 7.433 30.307 ( 6.220 4.024 -0.611) 7.433 30.371 ( 4.577 -1.489 -0.430) 4.832 30.371 ( 4.577 1.489 -0.430) 4.832 30.658 ( 10.124 -6.180 -1.439) 11.949 30.658 ( 10.124 6.180 -1.439) 11.949 30.841 ( 5.304 -5.386 5.982) 9.640 30.841 ( 5.304 5.386 5.982) 9.640 31.095 ( -10.035 -2.289 -0.269) 10.296 31.095 ( -10.035 2.289 -0.269) 10.296 31.339 ( -9.275 -4.113 6.749) 12.186 31.339 ( -9.275 4.113 6.749) 12.186 31.940 ( 2.974 -4.605 0.875) 5.551 31.940 ( 2.974 4.605 0.875) 5.551 32.168 ( 1.053 -12.625 11.000) 16.778 32.168 ( 1.053 12.625 11.000) 16.778 32.675 ( 4.348 -2.057 2.240) 5.306 32.675 ( 4.348 2.057 2.240) 5.306 32.762 ( 12.954 -1.436 -2.010) 13.188 32.762 ( 12.954 1.436 -2.010) 13.188 33.108 ( -1.411 -3.383 -0.465) 3.695 33.108 ( -1.411 3.383 -0.465) 3.695 33.386 ( -7.418 -2.034 4.272) 8.798 33.386 ( -7.418 2.034 4.272) 8.798 34.016 ( 1.140 -0.991 1.363) 2.034 34.016 ( 1.140 0.991 1.363) 2.034 34.582 ( 2.093 -0.897 -5.801) 6.232 34.582 ( 2.093 0.897 -5.801) 6.232 35.041 ( -1.990 -3.938 1.990) 4.840 35.041 ( -1.990 3.938 1.990) 4.840 35.115 ( 2.874 -2.114 1.140) 3.745 35.115 ( 2.874 2.114 1.140) 3.745 35.278 ( 0.869 -0.926 -4.219) 4.406 35.278 ( 0.869 0.926 -4.219) 4.406 35.407 ( -0.277 -1.624 -2.518) 3.009 35.407 ( -0.277 1.624 -2.518) 3.009 36.788 ( 4.226 -13.941 -17.440) 22.723 36.788 ( 4.226 13.941 -17.440) 22.723 37.343 ( -18.891 -8.186 4.855) 21.153 37.343 ( -18.891 8.186 4.855) 21.153 ======================= Grid point 116 (65/69) ======================= q-point: ( 0.44 -0.50 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 68 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.601 ( 7.193 -3.453 0.691) 8.009 1.601 ( 7.193 3.453 0.691) 8.009 1.780 ( 1.464 -2.787 -1.403) 3.446 1.780 ( 1.464 2.787 -1.403) 3.446 1.831 ( 2.553 -2.765 -1.186) 3.946 1.831 ( 2.553 2.765 -1.186) 3.946 1.984 ( 2.446 -6.267 -2.198) 7.078 1.984 ( 2.446 6.267 -2.198) 7.078 2.232 ( -3.737 -2.008 -0.828) 4.322 2.232 ( -3.737 2.008 -0.828) 4.322 2.367 ( 3.557 -4.978 1.507) 6.301 2.367 ( 3.557 4.978 1.507) 6.301 2.474 ( -0.695 -1.395 -4.883) 5.126 2.474 ( -0.695 1.395 -4.883) 5.126 2.610 ( 2.093 -4.329 -6.598) 8.164 2.610 ( 2.093 4.329 -6.598) 8.164 2.816 ( 0.546 -4.709 4.502) 6.538 2.816 ( 0.546 4.709 4.502) 6.538 2.899 ( 3.587 -2.682 -1.755) 4.810 2.899 ( 3.587 2.682 -1.755) 4.810 3.039 ( -0.744 -1.703 6.811) 7.060 3.039 ( -0.744 1.703 6.811) 7.060 3.152 ( 2.704 -4.452 -1.911) 5.548 3.152 ( 2.704 4.452 -1.911) 5.548 3.281 ( 1.318 -1.530 -0.934) 2.225 3.281 ( 1.318 1.530 -0.934) 2.225 3.505 ( 3.247 -0.122 3.390) 4.696 3.505 ( 3.247 0.122 3.390) 4.696 3.569 ( -4.346 -2.496 3.779) 6.277 3.569 ( -4.346 2.496 3.779) 6.277 3.675 ( 3.403 -5.347 -3.544) 7.262 3.675 ( 3.403 5.347 -3.544) 7.262 3.817 ( 1.226 -5.380 -3.276) 6.417 3.817 ( 1.226 5.380 -3.276) 6.417 3.999 ( 7.101 -5.081 3.022) 9.240 3.999 ( 7.101 5.081 3.022) 9.240 4.187 ( 5.341 -2.162 0.411) 5.776 4.187 ( 5.341 2.162 0.411) 5.776 4.266 ( -1.729 -2.140 -0.158) 2.756 4.266 ( -1.729 2.140 -0.158) 2.756 4.378 ( 0.832 -6.755 -1.228) 6.916 4.378 ( 0.832 6.755 -1.228) 6.916 4.435 ( -2.491 -0.965 -0.593) 2.736 4.435 ( -2.491 0.965 -0.593) 2.736 4.491 ( -6.196 -4.705 -2.495) 8.170 4.491 ( -6.196 4.705 -2.495) 8.170 4.728 ( -0.905 -4.755 2.116) 5.282 4.728 ( -0.905 4.755 2.116) 5.282 4.950 ( -2.093 -5.988 -0.481) 6.362 4.950 ( -2.093 5.988 -0.481) 6.362 5.020 ( -3.680 -2.185 0.099) 4.281 5.020 ( -3.680 2.185 0.099) 4.281 5.235 ( 3.074 -2.899 2.969) 5.164 5.235 ( 3.074 2.899 2.969) 5.164 5.303 ( -3.458 -1.019 0.366) 3.624 5.303 ( -3.458 1.019 0.366) 3.624 5.456 ( 1.683 -2.567 4.716) 5.627 5.456 ( 1.683 2.567 4.716) 5.627 5.534 ( 2.388 -2.051 4.184) 5.236 5.534 ( 2.388 2.051 4.184) 5.236 5.946 ( 2.032 -5.676 -2.981) 6.725 5.946 ( 2.032 5.676 -2.981) 6.725 6.031 ( -2.417 -1.082 -2.548) 3.675 6.031 ( -2.417 1.082 -2.548) 3.675 6.134 ( 3.329 -2.468 -0.554) 4.181 6.134 ( 3.329 2.468 -0.554) 4.181 6.297 ( -2.114 -3.465 -1.713) 4.406 6.297 ( -2.114 3.465 -1.713) 4.406 6.502 ( 0.856 -0.808 1.407) 1.835 6.502 ( 0.856 0.808 1.407) 1.835 6.603 ( -1.140 -1.635 0.596) 2.080 6.603 ( -1.140 1.635 0.596) 2.080 6.953 ( 4.993 -2.973 0.386) 5.824 6.953 ( 4.993 2.973 0.386) 5.824 7.064 ( 2.076 -2.403 -0.595) 3.231 7.064 ( 2.076 2.403 -0.595) 3.231 7.457 ( -8.365 -2.416 2.087) 8.954 7.457 ( -8.365 2.416 2.087) 8.954 7.668 ( -7.710 -6.589 -0.859) 10.178 7.668 ( -7.710 6.589 -0.859) 10.178 8.779 ( 0.397 -1.095 -0.820) 1.425 8.779 ( 0.397 1.095 -0.820) 1.425 8.898 ( 0.052 -0.974 0.887) 1.318 8.898 ( 0.052 0.974 0.887) 1.318 9.115 ( 1.989 -1.936 1.321) 3.074 9.115 ( 1.989 1.936 1.321) 3.074 9.170 ( 0.142 -1.537 -0.186) 1.555 9.170 ( 0.142 1.537 -0.186) 1.555 9.492 ( -2.766 -2.472 3.026) 4.788 9.492 ( -2.766 2.472 3.026) 4.788 9.517 ( 4.667 -2.237 -3.423) 6.205 9.517 ( 4.667 2.237 -3.423) 6.205 9.582 ( -4.250 -1.224 1.116) 4.561 9.582 ( -4.250 1.224 1.116) 4.561 9.698 ( -5.151 -2.115 -2.628) 6.158 9.698 ( -5.151 2.115 -2.628) 6.158 9.836 ( 2.706 -1.214 -1.112) 3.167 9.836 ( 2.706 1.214 -1.112) 3.167 10.078 ( -4.353 -1.961 -0.815) 4.843 10.078 ( -4.353 1.961 -0.815) 4.843 10.542 ( -0.497 -2.676 1.351) 3.039 10.542 ( -0.497 2.676 1.351) 3.039 10.577 ( -1.620 -3.226 -0.478) 3.642 10.577 ( -1.620 3.226 -0.478) 3.642 11.536 ( 1.981 -1.940 0.417) 2.804 11.536 ( 1.981 1.940 0.417) 2.804 11.575 ( 1.686 -1.981 0.195) 2.608 11.575 ( 1.686 1.981 0.195) 2.608 11.753 ( -0.026 -0.827 0.781) 1.138 11.753 ( -0.026 0.827 0.781) 1.138 11.849 ( -1.412 -0.752 -2.420) 2.901 11.849 ( -1.412 0.752 -2.420) 2.901 12.009 ( -0.357 -1.693 0.204) 1.742 12.009 ( -0.357 1.693 0.204) 1.742 12.157 ( 1.029 -0.758 0.048) 1.279 12.157 ( 1.029 0.758 0.048) 1.279 12.679 ( -0.362 -1.568 -0.933) 1.860 12.679 ( -0.362 1.568 -0.933) 1.860 12.754 ( 0.364 -1.247 0.530) 1.403 12.754 ( 0.364 1.247 0.530) 1.403 13.434 ( 2.638 -6.067 0.172) 6.618 13.434 ( 2.638 6.067 0.172) 6.618 13.464 ( 0.532 -5.940 -0.298) 5.971 13.464 ( 0.532 5.940 -0.298) 5.971 14.050 ( 4.512 -5.360 0.102) 7.007 14.050 ( 4.512 5.360 0.102) 7.007 14.074 ( 4.669 -4.434 -0.102) 6.440 14.074 ( 4.669 4.434 -0.102) 6.440 14.286 ( -5.841 -3.786 -0.335) 6.969 14.286 ( -5.841 3.786 -0.335) 6.969 14.365 ( -4.100 -5.968 -0.547) 7.262 14.365 ( -4.100 5.968 -0.547) 7.262 14.968 ( -1.345 -1.826 0.111) 2.271 14.968 ( -1.345 1.826 0.111) 2.271 15.024 ( -1.627 -0.361 -0.363) 1.706 15.024 ( -1.627 0.361 -0.363) 1.706 15.344 ( 3.801 -1.603 -0.131) 4.127 15.344 ( 3.801 1.603 -0.131) 4.127 15.421 ( 1.816 -1.324 -0.413) 2.285 15.421 ( 1.816 1.324 -0.413) 2.285 15.788 ( 4.763 -1.564 0.762) 5.071 15.788 ( 4.763 1.564 0.762) 5.071 15.885 ( 0.216 -2.064 0.333) 2.102 15.885 ( 0.216 2.064 0.333) 2.102 16.292 ( 0.992 -1.102 1.152) 1.877 16.292 ( 0.992 1.102 1.152) 1.877 16.387 ( -3.475 -0.695 -0.384) 3.564 16.387 ( -3.475 0.695 -0.384) 3.564 17.099 ( 0.273 -0.856 -1.199) 1.498 17.099 ( 0.273 0.856 -1.199) 1.498 17.162 ( 0.944 -0.196 0.732) 1.211 17.162 ( 0.944 0.196 0.732) 1.211 19.755 ( 7.171 -1.854 0.230) 7.410 19.755 ( 7.171 1.854 0.230) 7.410 19.956 ( -1.140 -1.749 0.048) 2.088 19.956 ( -1.140 1.749 0.048) 2.089 20.146 ( -4.579 -0.800 1.505) 4.886 20.146 ( -4.579 0.800 1.505) 4.886 20.429 ( -2.384 -1.663 0.882) 3.037 20.429 ( -2.384 1.663 0.882) 3.037 22.097 ( 8.770 -2.425 0.523) 9.114 22.097 ( 8.770 2.425 0.523) 9.114 22.150 ( 4.790 -1.940 -0.504) 5.193 22.150 ( 4.790 1.940 -0.504) 5.193 22.498 ( -6.116 -2.661 -0.210) 6.673 22.498 ( -6.116 2.661 -0.210) 6.673 22.656 ( -6.090 -0.820 -0.175) 6.147 22.656 ( -6.090 0.820 -0.175) 6.147 27.407 ( 15.249 -6.403 0.551) 16.548 27.407 ( 15.249 6.403 0.551) 16.548 27.579 ( 3.944 -11.272 0.374) 11.948 27.579 ( 3.944 11.272 0.374) 11.948 28.277 ( -12.426 -4.229 0.948) 13.160 28.277 ( -12.426 4.229 0.948) 13.160 28.391 ( -8.457 -7.139 0.713) 11.091 28.391 ( -8.457 7.139 0.713) 11.091 30.367 ( 2.393 -1.886 -0.643) 3.114 30.367 ( 2.393 1.886 -0.643) 3.114 30.424 ( 2.079 -0.635 -0.332) 2.199 30.424 ( 2.079 0.635 -0.332) 2.199 30.792 ( 6.411 -0.973 0.999) 6.561 30.792 ( 6.411 0.973 0.999) 6.561 30.919 ( -0.973 -2.580 -0.789) 2.868 30.919 ( -0.973 2.580 -0.789) 2.868 30.984 ( -3.316 -2.780 2.941) 5.232 30.984 ( -3.316 2.780 2.941) 5.232 31.295 ( -4.199 -1.199 5.036) 6.665 31.295 ( -4.199 1.199 5.036) 6.665 32.005 ( 2.073 -3.767 2.973) 5.228 32.005 ( 2.073 3.767 2.973) 5.228 32.291 ( -0.568 -8.973 10.050) 13.485 32.291 ( -0.568 8.973 10.050) 13.485 32.658 ( -1.773 -1.069 -5.283) 5.674 32.658 ( -1.773 1.069 -5.283) 5.674 32.889 ( 5.392 -1.407 -3.031) 6.344 32.889 ( 5.392 1.407 -3.031) 6.344 33.117 ( 2.595 -3.186 1.229) 4.289 33.117 ( 2.595 3.186 1.229) 4.289 33.292 ( -7.416 -0.056 1.733) 7.616 33.292 ( -7.416 0.056 1.733) 7.616 34.143 ( 5.025 -0.409 9.663) 10.899 34.143 ( 5.025 0.409 9.663) 10.899 34.518 ( 0.237 -0.507 -8.838) 8.856 34.518 ( 0.237 0.507 -8.838) 8.856 35.031 ( -0.914 -2.206 0.630) 2.470 35.031 ( -0.914 2.206 0.630) 2.470 35.172 ( 0.968 -2.457 3.189) 4.140 35.172 ( 0.968 2.457 3.189) 4.140 35.243 ( 0.582 -1.003 -4.001) 4.166 35.243 ( 0.582 1.003 -4.001) 4.166 35.356 ( -0.582 -1.248 -4.553) 4.757 35.356 ( -0.582 1.248 -4.553) 4.757 36.791 ( 11.221 -8.164 -6.911) 15.503 36.791 ( 11.221 8.164 -6.911) 15.503 37.082 ( -15.938 -5.348 -0.442) 16.817 37.082 ( -15.938 5.348 -0.442) 16.817 ======================= Grid point 118 (66/69) ======================= q-point: (-0.44 -0.50 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 68 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.562 ( -9.012 -5.084 1.236) 10.421 1.562 ( -9.012 5.084 1.236) 10.421 1.755 ( 2.141 -3.793 -1.665) 4.663 1.755 ( 2.141 3.793 -1.665) 4.663 1.918 ( -6.597 -4.262 -2.672) 8.297 1.918 ( -6.597 4.262 -2.672) 8.297 1.968 ( -1.032 -3.131 -2.428) 4.094 1.968 ( -1.032 3.131 -2.428) 4.094 2.243 ( -1.817 -1.292 2.627) 3.446 2.243 ( -1.817 1.292 2.627) 3.446 2.284 ( 4.383 -1.694 3.570) 5.901 2.284 ( 4.383 1.694 3.570) 5.901 2.477 ( -1.330 -6.527 -0.765) 6.705 2.477 ( -1.330 6.527 -0.765) 6.705 2.556 ( 0.816 -6.013 -5.799) 8.394 2.556 ( 0.816 6.013 -5.799) 8.394 2.852 ( -3.567 -0.462 2.628) 4.454 2.852 ( -3.567 0.462 2.628) 4.454 2.920 ( 1.942 -2.636 -1.458) 3.584 2.920 ( 1.942 2.636 -1.458) 3.584 3.078 ( -2.515 -1.242 1.555) 3.207 3.078 ( -2.515 1.242 1.555) 3.207 3.120 ( -3.123 -1.207 -0.020) 3.348 3.120 ( -3.123 1.207 -0.020) 3.348 3.296 ( 1.476 -0.751 -2.191) 2.746 3.296 ( 1.476 0.751 -2.191) 2.746 3.517 ( -5.555 -2.427 2.729) 6.648 3.517 ( -5.555 2.427 2.729) 6.648 3.586 ( -1.451 -1.652 3.514) 4.146 3.586 ( -1.451 1.652 3.514) 4.146 3.671 ( 2.928 -2.166 -5.699) 6.763 3.671 ( 2.928 2.166 -5.699) 6.763 3.788 ( -1.260 -3.483 0.059) 3.704 3.788 ( -1.260 3.483 0.059) 3.704 4.076 ( -2.267 -1.317 -2.145) 3.387 4.076 ( -2.267 1.317 -2.145) 3.387 4.192 ( -5.581 -2.576 0.654) 6.181 4.192 ( -5.581 2.576 0.654) 6.181 4.270 ( 2.654 -2.568 0.918) 3.805 4.270 ( 2.654 2.568 0.918) 3.805 4.346 ( -2.939 -2.869 -1.813) 4.489 4.346 ( -2.939 2.869 -1.813) 4.489 4.377 ( 3.069 -2.192 0.989) 3.899 4.377 ( 3.069 2.192 0.989) 3.899 4.493 ( 1.362 -5.228 1.026) 5.499 4.493 ( 1.362 5.228 1.026) 5.499 4.736 ( 2.325 -2.233 0.860) 3.336 4.736 ( 2.325 2.233 0.860) 3.336 4.940 ( 0.102 -4.491 0.626) 4.536 4.940 ( 0.102 4.491 0.626) 4.536 5.005 ( 1.366 -4.660 1.157) 4.992 5.005 ( 1.366 4.660 1.157) 4.992 5.259 ( -1.587 -2.334 -0.258) 2.834 5.259 ( -1.587 2.334 -0.258) 2.834 5.319 ( 3.978 -2.170 0.693) 4.585 5.319 ( 3.978 2.170 0.693) 4.585 5.505 ( -0.713 -5.221 1.153) 5.394 5.505 ( -0.713 5.221 1.153) 5.394 5.579 ( -0.028 -4.066 0.313) 4.078 5.579 ( -0.028 4.066 0.313) 4.078 5.923 ( -1.503 -1.566 -1.823) 2.834 5.923 ( -1.503 1.566 -1.823) 2.834 5.999 ( 0.997 -1.345 0.397) 1.720 5.999 ( 0.997 1.345 0.397) 1.720 6.128 ( -3.651 -1.364 0.006) 3.898 6.128 ( -3.651 1.364 0.006) 3.898 6.281 ( 1.549 -2.181 -0.531) 2.727 6.281 ( 1.549 2.181 -0.531) 2.727 6.518 ( -0.416 -2.006 0.215) 2.060 6.518 ( -0.416 2.006 0.215) 2.060 6.607 ( 1.015 -0.839 0.068) 1.318 6.607 ( 1.015 0.839 0.068) 1.318 6.948 ( -5.355 -1.060 0.869) 5.527 6.948 ( -5.355 1.060 0.869) 5.527 7.051 ( -3.757 -2.957 0.494) 4.807 7.051 ( -3.757 2.957 0.494) 4.807 7.485 ( 9.311 -2.128 -0.169) 9.552 7.485 ( 9.311 2.128 -0.169) 9.552 7.664 ( 8.724 -1.063 -0.637) 8.811 7.664 ( 8.724 1.063 -0.637) 8.811 8.774 ( -0.086 -0.587 -0.398) 0.714 8.774 ( -0.086 0.587 -0.398) 0.714 8.907 ( 0.401 -1.531 0.093) 1.585 8.907 ( 0.401 1.531 0.093) 1.585 9.139 ( -1.478 -2.020 0.066) 2.503 9.139 ( -1.478 2.020 0.066) 2.503 9.164 ( 0.874 -1.838 -0.568) 2.113 9.164 ( 0.874 1.838 -0.568) 2.113 9.435 ( -6.878 -3.411 4.164) 8.734 9.435 ( -6.878 3.411 4.164) 8.734 9.536 ( -0.163 -1.664 -1.660) 2.356 9.536 ( -0.163 1.664 -1.660) 2.356 9.611 ( 6.715 -0.813 0.031) 6.764 9.611 ( 6.715 0.813 0.031) 6.764 9.669 ( 3.396 -1.772 -0.788) 3.911 9.669 ( 3.396 1.772 -0.788) 3.911 9.840 ( -1.058 -2.080 -1.874) 2.993 9.840 ( -1.058 2.080 -1.874) 2.993 10.062 ( 3.844 -1.145 0.626) 4.060 10.062 ( 3.844 1.145 0.626) 4.060 10.554 ( 0.546 -3.886 0.812) 4.007 10.554 ( 0.546 3.886 0.812) 4.007 10.572 ( 1.643 -3.455 -0.587) 3.870 10.572 ( 1.643 3.455 -0.587) 3.870 11.541 ( -1.844 -0.686 0.115) 1.971 11.541 ( -1.844 0.686 0.115) 1.971 11.573 ( -2.363 -1.164 0.248) 2.645 11.573 ( -2.363 1.164 0.248) 2.645 11.770 ( 0.558 -0.558 0.088) 0.795 11.770 ( 0.558 0.558 0.088) 0.795 11.824 ( 1.798 -0.891 -0.970) 2.229 11.824 ( 1.798 0.891 -0.970) 2.229 12.005 ( -0.769 -0.867 0.576) 1.295 12.005 ( -0.769 0.867 0.576) 1.295 12.161 ( -0.274 -0.970 -0.287) 1.048 12.161 ( -0.274 0.970 -0.287) 1.048 12.669 ( -0.268 -1.224 -0.017) 1.254 12.669 ( -0.268 1.224 -0.017) 1.254 12.760 ( 0.126 -0.970 -0.056) 0.980 12.760 ( 0.126 0.970 -0.056) 0.980 13.438 ( -2.819 -3.874 -0.217) 4.796 13.438 ( -2.819 3.874 -0.217) 4.796 13.457 ( -0.557 -3.620 0.296) 3.675 13.457 ( -0.557 3.620 0.296) 3.675 14.051 ( -4.408 -3.474 0.008) 5.613 14.051 ( -4.408 3.474 0.008) 5.613 14.076 ( -4.413 -3.049 -0.275) 5.371 14.076 ( -4.413 3.049 -0.275) 5.371 14.277 ( 4.867 -4.981 0.375) 6.974 14.277 ( 4.867 4.981 0.375) 6.974 14.367 ( 5.081 -3.814 -0.650) 6.386 14.367 ( 5.081 3.814 -0.650) 6.386 14.964 ( 0.467 -2.448 0.465) 2.535 14.964 ( 0.467 2.448 0.465) 2.535 15.023 ( 2.177 -2.477 -0.328) 3.314 15.023 ( 2.177 2.477 -0.328) 3.314 15.343 ( -4.203 -1.640 -0.071) 4.513 15.343 ( -4.203 1.640 -0.071) 4.513 15.419 ( -1.280 -1.515 -0.213) 1.995 15.419 ( -1.280 1.515 -0.213) 1.995 15.805 ( -2.956 -1.137 -0.778) 3.261 15.805 ( -2.956 1.137 -0.778) 3.261 15.882 ( -0.734 -1.870 0.702) 2.128 15.882 ( -0.734 1.870 0.702) 2.128 16.304 ( -1.562 -0.458 0.258) 1.648 16.304 ( -1.562 0.458 0.258) 1.648 16.378 ( 3.401 -0.972 0.318) 3.551 16.378 ( 3.401 0.972 0.318) 3.551 17.085 ( -1.018 -0.292 0.028) 1.059 17.085 ( -1.018 0.292 0.028) 1.059 17.173 ( 0.156 -0.674 -0.343) 0.772 17.173 ( 0.156 0.674 -0.343) 0.772 19.768 ( -5.928 -1.540 -0.894) 6.190 19.768 ( -5.928 1.540 -0.894) 6.190 19.953 ( 1.828 -1.258 0.285) 2.238 19.953 ( 1.828 1.258 0.285) 2.238 20.137 ( 0.587 -1.218 2.400) 2.755 20.137 ( 0.587 1.218 2.400) 2.755 20.446 ( 4.057 -0.341 -0.628) 4.119 20.446 ( 4.057 0.341 -0.628) 4.119 22.106 ( -8.256 -2.938 -0.258) 8.767 22.106 ( -8.256 2.938 -0.258) 8.767 22.142 ( -5.342 -2.066 0.198) 5.731 22.142 ( -5.342 2.066 0.198) 5.731 22.503 ( 7.667 -1.102 -0.717) 7.779 22.503 ( 7.667 1.102 -0.717) 7.779 22.647 ( 4.544 -0.568 0.626) 4.622 22.647 ( 4.544 0.568 0.626) 4.622 27.422 ( -16.238 -6.027 -0.876) 17.343 27.422 ( -16.238 6.027 -0.876) 17.343 27.567 ( -2.559 -9.687 1.497) 10.131 27.567 ( -2.559 9.687 1.497) 10.131 28.280 ( 10.745 -4.001 0.592) 11.481 28.280 ( 10.745 4.001 0.592) 11.481 28.405 ( 9.921 -2.681 -0.377) 10.284 28.405 ( 9.921 2.681 -0.377) 10.284 30.360 ( -2.818 -1.359 0.015) 3.129 30.360 ( -2.818 1.359 0.015) 3.129 30.422 ( -1.849 -1.339 -0.136) 2.287 30.422 ( -1.849 1.339 -0.136) 2.287 30.796 ( -8.756 -0.967 0.737) 8.840 30.796 ( -8.756 0.967 0.737) 8.840 30.897 ( 2.120 -1.244 0.930) 2.628 30.897 ( 2.120 1.244 0.930) 2.628 31.021 ( 3.734 -1.276 -0.495) 3.977 31.021 ( 3.734 1.276 -0.495) 3.977 31.338 ( 5.129 -5.042 1.226) 7.296 31.338 ( 5.129 5.042 1.226) 7.296 32.031 ( -3.046 -3.935 1.537) 5.208 32.031 ( -3.046 3.935 1.537) 5.208 32.392 ( 3.456 -5.686 4.745) 8.172 32.392 ( 3.456 5.686 4.745) 8.172 32.572 ( -2.888 -0.753 -1.559) 3.367 32.572 ( -2.888 0.753 -1.559) 3.367 32.872 ( -2.839 -0.589 -1.656) 3.339 32.872 ( -2.839 0.589 -1.656) 3.339 33.132 ( -2.620 -2.790 0.251) 3.836 33.132 ( -2.620 2.790 0.251) 3.836 33.302 ( 7.384 -0.121 0.857) 7.435 33.302 ( 7.384 0.121 0.857) 7.435 34.316 ( 1.906 -0.177 8.638) 8.848 34.316 ( 1.906 0.177 8.638) 8.848 34.394 ( -0.618 -1.160 -11.710) 11.784 34.394 ( -0.618 1.160 -11.710) 11.784 35.029 ( -0.264 -1.179 0.478) 1.299 35.029 ( -0.264 1.179 0.478) 1.299 35.200 ( -0.804 -1.262 0.369) 1.541 35.200 ( -0.804 1.262 0.369) 1.541 35.222 ( -0.319 -0.626 0.652) 0.959 35.222 ( -0.319 0.626 0.652) 0.959 35.307 ( 0.376 -1.487 -2.948) 3.323 35.307 ( 0.376 1.487 -2.948) 3.323 36.687 ( -19.739 -8.365 1.963) 21.528 36.687 ( -19.739 8.365 1.963) 21.528 37.111 ( 20.147 -8.390 -2.966) 22.024 37.111 ( 20.147 8.390 -2.966) 22.024 ======================= Grid point 120 (67/69) ======================= q-point: (-0.33 -0.50 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 68 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.387 ( -17.092 -7.568 2.829) 18.906 1.387 ( -17.092 7.568 2.829) 18.906 1.652 ( -13.652 -9.036 -1.481) 16.439 1.652 ( -13.652 9.036 -1.481) 16.439 1.824 ( 0.573 -1.198 5.252) 5.418 1.824 ( 0.573 1.198 5.252) 5.418 1.935 ( -2.199 -3.948 -0.717) 4.576 1.935 ( -2.199 3.948 -0.717) 4.576 2.213 ( -3.564 -9.545 1.502) 10.298 2.213 ( -3.564 9.545 1.502) 10.298 2.294 ( -4.957 -4.268 -5.015) 8.242 2.294 ( -4.957 4.268 -5.015) 8.242 2.496 ( -3.410 -5.385 -1.059) 6.461 2.496 ( -3.410 5.385 -1.059) 6.461 2.606 ( 11.294 -1.921 4.240) 12.216 2.606 ( 11.294 1.921 4.240) 12.216 2.780 ( -7.094 -2.945 -3.000) 8.247 2.780 ( -7.094 2.945 -3.000) 8.247 2.863 ( -0.550 -0.812 -1.780) 2.032 2.863 ( -0.550 0.812 -1.780) 2.032 3.051 ( -5.904 -3.273 1.508) 6.917 3.051 ( -5.904 3.273 1.508) 6.917 3.098 ( 1.546 -2.601 0.320) 3.043 3.098 ( 1.546 2.601 0.320) 3.043 3.267 ( -2.136 -1.768 -1.375) 3.095 3.267 ( -2.136 1.768 -1.375) 3.095 3.432 ( -7.008 -2.271 0.480) 7.382 3.432 ( -7.008 2.271 0.480) 7.382 3.553 ( -6.341 -3.561 4.644) 8.628 3.553 ( -6.341 3.561 4.644) 8.628 3.636 ( -3.430 -3.722 -3.829) 6.346 3.636 ( -3.430 3.722 -3.829) 6.346 3.746 ( -4.312 -4.978 1.132) 6.682 3.746 ( -4.312 4.978 1.132) 6.682 3.954 ( -4.282 -2.721 -4.800) 6.984 3.954 ( -4.282 2.721 -4.800) 6.984 4.120 ( -2.172 -5.599 -2.821) 6.636 4.120 ( -2.172 5.599 -2.821) 6.636 4.260 ( -2.210 -2.539 1.350) 3.626 4.260 ( -2.210 2.539 1.350) 3.626 4.332 ( -2.786 -7.623 3.147) 8.705 4.332 ( -2.786 7.623 3.147) 8.705 4.510 ( 7.873 -0.816 2.295) 8.241 4.510 ( 7.873 0.816 2.295) 8.241 4.538 ( 3.404 -6.026 2.517) 7.364 4.538 ( 3.404 6.026 2.517) 7.364 4.801 ( 4.808 -5.174 -2.765) 7.584 4.801 ( 4.808 5.174 -2.765) 7.584 4.956 ( 0.507 -6.052 1.522) 6.261 4.956 ( 0.507 6.052 1.522) 6.261 5.061 ( 3.042 -2.913 1.542) 4.485 5.061 ( 3.042 2.913 1.542) 4.485 5.219 ( -2.036 -1.070 -1.581) 2.790 5.219 ( -2.036 1.070 -1.581) 2.790 5.385 ( 3.007 -1.569 -1.564) 3.735 5.385 ( 3.007 1.569 -1.564) 3.735 5.460 ( -1.653 -5.084 -2.957) 6.109 5.460 ( -1.653 5.084 -2.957) 6.109 5.544 ( 0.057 -4.936 -4.951) 6.991 5.544 ( 0.057 4.936 -4.951) 6.991 5.896 ( -1.620 -1.551 1.436) 2.663 5.896 ( -1.620 1.551 1.436) 2.663 6.014 ( -4.481 -1.328 2.059) 5.107 6.014 ( -4.481 1.328 2.059) 5.107 6.077 ( 0.372 -0.826 0.515) 1.042 6.077 ( 0.372 0.826 0.515) 1.042 6.325 ( 2.650 -4.526 1.922) 5.585 6.325 ( 2.650 4.526 1.922) 5.585 6.502 ( -1.304 -3.778 -0.255) 4.005 6.502 ( -1.304 3.778 -0.255) 4.005 6.618 ( 0.961 -3.336 -0.297) 3.484 6.618 ( 0.961 3.336 -0.297) 3.484 6.871 ( -6.531 -0.959 0.548) 6.624 6.871 ( -6.531 0.959 0.548) 6.624 6.975 ( -3.865 -5.624 0.263) 6.829 6.975 ( -3.865 5.624 0.263) 6.829 7.704 ( 18.964 -1.457 -1.336) 19.067 7.704 ( 18.964 1.457 -1.336) 19.067 7.866 ( 16.277 -3.422 -0.333) 16.636 7.866 ( 16.277 3.422 -0.333) 16.636 8.769 ( -0.301 -2.315 -0.047) 2.335 8.769 ( -0.301 2.315 -0.047) 2.335 8.909 ( 0.144 -2.320 -0.710) 2.430 8.909 ( 0.144 2.320 -0.710) 2.430 9.098 ( -2.130 -3.730 -1.723) 4.628 9.098 ( -2.130 3.730 -1.723) 4.628 9.155 ( -1.905 -0.835 -0.014) 2.080 9.155 ( -1.905 0.835 -0.014) 2.080 9.387 ( -5.981 -4.175 4.725) 8.691 9.387 ( -5.981 4.175 4.725) 8.691 9.505 ( -2.140 -2.790 -1.200) 3.716 9.505 ( -2.140 2.790 -1.200) 3.716 9.695 ( 2.496 -2.073 -1.636) 3.634 9.695 ( 2.496 2.073 -1.636) 3.634 9.773 ( 9.078 -1.408 2.375) 9.488 9.773 ( 9.078 1.408 2.375) 9.488 9.862 ( 8.356 -3.960 -0.032) 9.247 9.862 ( 8.356 3.960 -0.032) 9.247 10.157 ( 6.028 -2.231 0.253) 6.433 10.157 ( 6.028 2.231 0.253) 6.433 10.574 ( 2.499 -0.909 -1.038) 2.855 10.574 ( 2.499 0.909 -1.038) 2.855 10.622 ( 4.703 -0.484 0.656) 4.773 10.622 ( 4.703 0.484 0.656) 4.773 11.471 ( -6.896 -0.929 -0.554) 6.980 11.471 ( -6.896 0.929 -0.554) 6.980 11.519 ( -5.202 -1.421 0.837) 5.457 11.519 ( -5.202 1.421 0.837) 5.457 11.782 ( 2.110 -1.442 -0.944) 2.725 11.782 ( 2.110 1.442 -0.944) 2.725 11.868 ( 2.876 -0.966 0.755) 3.126 11.868 ( 2.876 0.966 0.755) 3.126 11.999 ( -1.050 -0.999 1.092) 1.815 11.999 ( -1.050 0.999 1.092) 1.815 12.152 ( 0.397 -2.480 -0.868) 2.657 12.152 ( 0.397 2.480 -0.868) 2.657 12.668 ( -0.664 -3.456 1.070) 3.678 12.668 ( -0.664 3.456 1.070) 3.678 12.750 ( -1.171 -2.911 -0.755) 3.227 12.750 ( -1.171 2.911 -0.755) 3.227 13.375 ( -5.021 -6.148 -0.096) 7.938 13.375 ( -5.021 6.148 -0.096) 7.938 13.421 ( -4.670 -5.622 0.318) 7.316 13.421 ( -4.670 5.622 0.318) 7.316 13.981 ( -3.668 -3.196 0.205) 4.869 13.981 ( -3.668 3.196 0.205) 4.869 14.003 ( -2.181 -5.070 -0.485) 5.540 14.003 ( -2.181 5.070 -0.485) 5.540 14.370 ( 4.015 -6.580 1.232) 7.806 14.370 ( 4.015 6.580 1.232) 7.806 14.449 ( 5.517 -5.567 -0.814) 7.880 14.449 ( 5.517 5.567 -0.814) 7.880 14.974 ( -1.721 -6.330 0.938) 6.626 14.974 ( -1.721 6.330 0.938) 6.626 15.076 ( 4.370 -6.788 -0.656) 8.099 15.076 ( 4.370 6.788 -0.656) 8.099 15.257 ( -5.104 -1.992 0.435) 5.496 15.257 ( -5.104 1.992 0.435) 5.496 15.368 ( -4.616 -1.629 -0.317) 4.905 15.368 ( -4.616 1.629 -0.317) 4.905 15.690 ( -8.864 -1.943 -1.785) 9.248 15.690 ( -8.864 1.943 -1.785) 9.248 15.877 ( -0.775 -3.160 -0.081) 3.255 15.877 ( -0.775 3.160 -0.081) 3.255 16.288 ( -0.148 -0.157 -0.633) 0.668 16.288 ( -0.148 0.157 -0.633) 0.668 16.442 ( 2.996 -1.776 0.741) 3.560 16.442 ( 2.996 1.776 0.741) 3.560 17.072 ( -1.328 -1.065 0.899) 1.925 17.072 ( -1.328 1.065 0.899) 1.925 17.159 ( -0.943 -1.075 -1.068) 1.785 17.159 ( -0.943 1.075 -1.068) 1.785 19.649 ( -6.493 -2.655 -1.112) 7.103 19.649 ( -6.493 2.655 -1.112) 7.103 19.916 ( -6.336 -2.162 -0.138) 6.696 19.916 ( -6.336 2.162 -0.138) 6.696 20.241 ( 8.283 -1.082 1.957) 8.580 20.241 ( 8.283 1.082 1.957) 8.580 20.519 ( 6.511 -1.037 -1.696) 6.807 20.519 ( 6.511 1.037 -1.696) 6.807 21.922 ( -12.800 -2.485 -0.816) 13.065 21.922 ( -12.800 2.485 -0.816) 13.065 22.025 ( -9.600 -0.827 0.848) 9.673 22.025 ( -9.600 0.827 0.848) 9.673 22.639 ( 9.962 -2.885 -1.465) 10.474 22.639 ( 9.962 2.885 -1.465) 10.474 22.777 ( 9.577 -1.037 1.728) 9.787 22.777 ( 9.577 1.037 1.728) 9.787 27.124 ( -19.590 -4.160 -0.026) 20.027 27.124 ( -19.590 4.160 -0.026) 20.027 27.410 ( -16.727 -14.146 -0.992) 21.928 27.410 ( -16.727 14.146 -0.992) 21.928 28.555 ( 20.047 -6.748 1.653) 21.217 28.555 ( 20.047 6.748 1.653) 21.217 28.634 ( 20.745 -5.600 -2.082) 21.589 28.634 ( 20.745 5.600 -2.082) 21.589 30.295 ( -5.906 -3.183 0.477) 6.726 30.295 ( -5.906 3.183 0.477) 6.726 30.367 ( -4.790 -2.143 0.045) 5.247 30.367 ( -4.790 2.143 0.045) 5.247 30.632 ( -12.623 -3.854 1.324) 13.265 30.632 ( -12.623 3.854 1.324) 13.265 30.909 ( -1.989 -3.154 -0.902) 3.836 30.909 ( -1.989 3.154 -0.902) 3.836 31.104 ( 8.888 -1.771 -1.062) 9.124 31.104 ( 8.888 1.771 -1.062) 9.124 31.452 ( 9.968 -5.565 -3.060) 11.819 31.452 ( 9.968 5.565 -3.060) 11.819 31.965 ( -4.459 -6.513 -0.794) 7.933 31.965 ( -4.459 6.513 -0.794) 7.933 32.390 ( -1.528 -7.498 -8.064) 11.117 32.390 ( -1.528 7.498 -8.064) 11.117 32.606 ( -1.509 -4.454 7.207) 8.606 32.606 ( -1.509 4.454 7.207) 8.606 32.792 ( -2.734 -3.032 -2.098) 4.591 32.792 ( -2.734 3.032 -2.098) 4.591 33.131 ( 3.583 -7.370 -1.256) 8.290 33.131 ( 3.583 7.370 -1.256) 8.290 33.443 ( 9.521 -1.493 -1.070) 9.697 33.443 ( 9.521 1.493 -1.070) 9.697 34.177 ( -4.594 -1.229 -14.672) 15.423 34.177 ( -4.594 1.229 -14.672) 15.423 34.443 ( 0.280 -0.252 6.884) 6.894 34.443 ( 0.280 0.252 6.884) 6.894 35.031 ( -0.282 -0.814 0.644) 1.076 35.031 ( -0.282 0.814 0.644) 1.076 35.177 ( -1.892 -2.131 -1.348) 3.152 35.177 ( -1.892 2.131 -1.348) 3.152 35.215 ( -0.420 -0.884 0.628) 1.163 35.215 ( -0.420 0.884 0.628) 1.163 35.326 ( 0.706 -1.046 4.180) 4.366 35.326 ( 0.706 1.046 4.180) 4.366 36.446 ( -18.527 -12.578 12.432) 25.613 36.446 ( -18.527 12.578 12.432) 25.613 37.423 ( 22.210 -9.261 -2.773) 24.222 37.423 ( 22.210 9.261 -2.773) 24.222 ======================= Grid point 122 (68/69) ======================= q-point: (-0.22 -0.50 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 68 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.198 ( -11.976 -10.455 9.178) 18.357 1.198 ( -11.976 10.455 9.178) 18.357 1.462 ( -13.386 -9.800 4.814) 17.274 1.462 ( -13.386 9.800 4.814) 17.274 1.830 ( -10.345 -1.605 2.718) 10.816 1.830 ( -10.345 1.605 2.718) 10.816 1.913 ( -1.084 -1.903 4.201) 4.737 1.913 ( -1.084 1.903 4.201) 4.737 2.094 ( -2.007 -6.425 -7.228) 9.877 2.094 ( -2.007 6.425 -7.228) 9.877 2.242 ( -0.799 -9.577 -0.016) 9.610 2.242 ( -0.799 9.577 -0.016) 9.610 2.496 ( 0.240 -2.427 5.369) 5.897 2.496 ( 0.240 2.427 5.369) 5.897 2.575 ( -4.985 -4.675 -5.036) 8.489 2.575 ( -4.985 4.675 -5.036) 8.489 2.746 ( -2.859 -1.612 0.309) 3.296 2.746 ( -2.859 1.612 0.309) 3.296 2.901 ( 3.198 -4.859 0.077) 5.817 2.901 ( 3.198 4.859 0.077) 5.817 2.981 ( -1.063 -3.182 -0.967) 3.492 2.981 ( -1.063 3.182 -0.967) 3.492 3.107 ( -0.502 -0.985 -1.455) 1.828 3.107 ( -0.502 0.985 -1.455) 1.828 3.209 ( -5.016 -3.157 1.392) 6.088 3.209 ( -5.016 3.157 1.392) 6.088 3.338 ( -7.329 -4.319 2.022) 8.744 3.338 ( -7.329 4.319 2.022) 8.744 3.462 ( -5.802 -2.105 -0.154) 6.174 3.462 ( -5.802 2.105 -0.154) 6.174 3.592 ( -3.400 -3.526 7.360) 8.841 3.592 ( -3.400 3.526 7.360) 8.841 3.705 ( -1.775 -5.350 0.882) 5.705 3.705 ( -1.775 5.350 0.882) 5.705 3.882 ( -1.487 -3.728 -0.345) 4.028 3.882 ( -1.487 3.728 -0.345) 4.028 4.073 ( -0.321 -10.907 -1.099) 10.967 4.073 ( -0.321 10.907 -1.099) 10.967 4.233 ( -2.457 -2.010 -0.407) 3.201 4.233 ( -2.457 2.010 -0.407) 3.201 4.362 ( -0.527 -2.996 8.046) 8.602 4.362 ( -0.527 2.996 8.046) 8.602 4.552 ( 1.796 -1.786 -1.952) 3.197 4.552 ( 1.796 1.786 -1.952) 3.197 4.658 ( 1.333 -4.894 0.620) 5.110 4.658 ( 1.333 4.894 0.620) 5.110 4.792 ( 3.578 -4.737 -6.661) 8.922 4.792 ( 3.578 4.737 -6.661) 8.922 4.981 ( 0.885 -4.754 -1.531) 5.072 4.981 ( 0.885 4.754 -1.531) 5.072 5.092 ( 0.844 -4.045 -0.684) 4.188 5.092 ( 0.844 4.045 -0.684) 4.188 5.203 ( -0.101 -2.471 0.698) 2.570 5.203 ( -0.101 2.471 0.698) 2.570 5.305 ( -3.776 -2.590 -4.271) 6.261 5.305 ( -3.776 2.590 -4.271) 6.261 5.449 ( 1.700 -1.483 -3.080) 3.818 5.449 ( 1.700 1.483 -3.080) 3.818 5.527 ( 5.233 -1.432 -5.671) 7.848 5.527 ( 5.233 1.432 -5.671) 7.848 5.864 ( -3.596 -1.930 -1.064) 4.217 5.864 ( -3.596 1.930 -1.064) 4.217 5.982 ( -1.414 -1.050 3.825) 4.211 5.982 ( -1.414 1.050 3.825) 4.211 6.117 ( 1.337 -1.174 2.269) 2.883 6.117 ( 1.337 1.174 2.269) 2.883 6.352 ( -2.604 -4.873 -1.330) 5.683 6.352 ( -2.604 4.873 -1.330) 5.683 6.486 ( -0.175 -3.159 1.571) 3.532 6.486 ( -0.175 3.159 1.571) 3.532 6.656 ( 2.484 -5.881 1.585) 6.578 6.656 ( 2.484 5.881 1.585) 6.578 6.758 ( -5.932 -1.007 0.194) 6.020 6.758 ( -5.932 1.007 0.194) 6.020 6.964 ( 1.358 -4.570 -0.701) 4.819 6.964 ( 1.358 4.570 -0.701) 4.819 8.006 ( 20.384 -0.788 -0.273) 20.401 8.006 ( 20.384 0.788 -0.273) 20.401 8.128 ( 18.094 -1.433 -0.935) 18.175 8.128 ( 18.094 1.433 -0.935) 18.175 8.758 ( -1.241 -4.255 -0.032) 4.433 8.758 ( -1.241 4.255 -0.032) 4.433 8.894 ( -0.857 -2.771 -0.990) 3.065 8.894 ( -0.857 2.771 -0.990) 3.065 9.032 ( -4.225 -3.038 -1.511) 5.419 9.032 ( -4.225 3.038 -1.511) 5.419 9.120 ( -2.061 -1.261 -0.391) 2.447 9.120 ( -2.061 1.261 -0.391) 2.447 9.347 ( -5.436 -4.224 3.738) 7.833 9.347 ( -5.436 4.224 3.738) 7.833 9.447 ( -3.269 -0.656 -0.868) 3.446 9.447 ( -3.269 0.656 -0.868) 3.446 9.709 ( 0.470 -0.651 1.452) 1.659 9.709 ( 0.470 0.651 1.452) 1.659 9.944 ( 10.718 -2.309 -0.768) 10.990 9.944 ( 10.718 2.309 -0.768) 10.990 10.048 ( 11.669 -2.857 2.260) 12.224 10.048 ( 11.669 2.857 2.260) 12.224 10.235 ( 5.426 -1.262 -1.783) 5.849 10.235 ( 5.426 1.262 -1.783) 5.849 10.621 ( 5.015 -1.086 -0.617) 5.168 10.621 ( 5.015 1.086 -0.617) 5.168 10.721 ( 6.781 -2.467 0.269) 7.221 10.721 ( 6.781 2.467 0.269) 7.221 11.337 ( -8.894 -1.104 -0.519) 8.978 11.337 ( -8.894 1.104 -0.519) 8.978 11.425 ( -8.236 -2.270 0.811) 8.582 11.425 ( -8.236 2.270 0.811) 8.582 11.812 ( 2.180 -0.386 0.076) 2.215 11.812 ( 2.180 0.386 0.076) 2.215 11.907 ( 1.353 -0.871 -0.156) 1.617 11.907 ( 1.353 0.871 -0.156) 1.617 12.007 ( 0.394 -1.390 1.897) 2.385 12.007 ( 0.394 1.390 1.897) 2.385 12.162 ( 2.721 -4.191 -1.702) 5.279 12.162 ( 2.721 4.191 -1.702) 5.279 12.662 ( -2.358 -4.643 1.274) 5.361 12.662 ( -2.358 4.643 1.274) 5.361 12.710 ( -2.011 -4.432 -0.994) 4.967 12.710 ( -2.011 4.432 -0.994) 4.967 13.280 ( -7.034 -6.135 -0.079) 9.334 13.280 ( -7.034 6.135 -0.079) 9.334 13.327 ( -7.343 -5.087 0.095) 8.933 13.327 ( -7.343 5.087 0.095) 8.933 13.974 ( 2.251 -1.822 0.952) 3.049 13.974 ( 2.251 1.822 0.952) 3.049 14.018 ( 5.066 -4.605 -1.109) 6.936 14.018 ( 5.066 4.605 -1.109) 6.936 14.397 ( -2.962 -9.230 2.059) 9.910 14.397 ( -2.962 9.230 2.059) 9.910 14.502 ( 2.226 -2.307 -0.955) 3.345 14.502 ( 2.226 2.307 -0.955) 3.345 14.900 ( -9.079 -8.402 1.711) 12.487 14.900 ( -9.079 8.402 1.711) 12.487 15.046 ( -9.272 -4.065 -1.576) 10.246 15.046 ( -9.272 4.065 -1.576) 10.246 15.242 ( 0.103 -4.841 0.815) 4.910 15.242 ( 0.103 4.841 0.815) 4.910 15.326 ( 3.517 -3.717 -1.981) 5.487 15.326 ( 3.517 3.717 -1.981) 5.487 15.556 ( -4.087 -0.782 -0.657) 4.213 15.556 ( -4.087 0.782 -0.657) 4.213 15.846 ( -1.055 -0.890 -3.168) 3.456 15.846 ( -1.055 0.890 -3.168) 3.456 16.273 ( -1.483 -0.590 -0.287) 1.622 16.273 ( -1.483 0.590 -0.287) 1.622 16.453 ( -2.387 -3.795 -1.152) 4.629 16.453 ( -2.387 3.795 -1.152) 4.629 17.065 ( -0.859 -1.411 0.904) 1.883 17.065 ( -0.859 1.411 0.904) 1.883 17.129 ( -1.184 -1.117 -0.791) 1.810 17.129 ( -1.184 1.117 -0.791) 1.810 19.557 ( -3.679 -2.935 -1.289) 4.880 19.557 ( -3.679 2.935 -1.289) 4.880 19.794 ( -7.245 -2.116 -1.378) 7.673 19.794 ( -7.245 2.116 -1.378) 7.673 20.389 ( 7.640 -0.155 1.442) 7.776 20.389 ( 7.640 0.155 1.442) 7.776 20.599 ( 5.941 -1.399 -1.604) 6.311 20.599 ( 5.941 1.399 -1.604) 6.311 21.731 ( -10.618 -1.566 0.009) 10.733 21.731 ( -10.618 1.566 0.009) 10.733 21.884 ( -9.259 -0.663 0.497) 9.296 21.884 ( -9.259 0.663 0.497) 9.296 22.760 ( 7.957 -2.055 -1.990) 8.456 22.760 ( 7.957 2.055 -1.990) 8.456 22.959 ( 10.564 -1.049 2.235) 10.848 22.959 ( 10.564 1.049 2.235) 10.848 26.847 ( -16.200 -2.567 0.531) 16.411 26.847 ( -16.200 2.567 0.531) 16.411 27.076 ( -21.649 -11.554 -3.482) 24.784 27.076 ( -21.649 11.554 -3.482) 24.784 28.878 ( 20.158 -6.837 1.376) 21.331 28.878 ( 20.158 6.837 1.376) 21.331 28.972 ( 23.188 -5.993 -1.016) 23.972 28.972 ( 23.188 5.993 -1.016) 23.972 30.164 ( -12.615 -5.178 1.083) 13.680 30.164 ( -12.615 5.178 1.083) 13.680 30.309 ( -2.470 -2.040 0.375) 3.225 30.309 ( -2.470 2.040 0.375) 3.225 30.471 ( -9.933 -3.161 2.039) 10.621 30.471 ( -9.933 3.161 2.039) 10.621 30.819 ( -4.488 -9.418 -6.023) 12.046 30.819 ( -4.488 9.418 -6.023) 12.046 31.250 ( 9.698 -1.599 0.255) 9.833 31.250 ( 9.698 1.599 0.255) 9.833 31.561 ( 10.722 -4.411 -6.309) 13.199 31.561 ( 10.722 4.411 -6.309) 13.199 31.912 ( -0.853 -4.830 -0.575) 4.938 31.912 ( -0.853 4.830 -0.575) 4.938 32.247 ( -3.423 -7.560 -9.443) 12.572 32.247 ( -3.423 7.560 -9.443) 12.572 32.516 ( -13.713 -2.371 2.473) 14.134 32.516 ( -13.713 2.371 2.473) 14.134 32.723 ( 0.718 -12.141 -17.882) 21.626 32.723 ( 0.718 12.141 -17.882) 21.626 33.166 ( 4.293 -6.655 -5.699) 9.757 33.166 ( 4.293 6.655 -5.699) 9.757 33.540 ( 6.762 -2.721 -5.173) 8.938 33.540 ( 6.762 2.721 -5.173) 8.938 34.013 ( -0.565 -0.410 -1.012) 1.230 34.013 ( -0.565 0.410 -1.012) 1.230 34.496 ( -1.950 -0.919 5.327) 5.746 34.496 ( -1.950 0.919 5.327) 5.746 35.030 ( -2.247 -2.390 2.143) 3.918 35.030 ( -2.247 2.390 2.143) 3.918 35.119 ( -0.774 -3.820 -3.874) 5.495 35.119 ( -0.774 3.820 -3.874) 5.495 35.239 ( 0.295 -0.569 3.362) 3.422 35.239 ( 0.295 0.569 3.362) 3.422 35.385 ( 0.378 -1.731 3.287) 3.734 35.385 ( 0.378 1.731 3.287) 3.734 36.477 ( -7.798 -19.814 31.540) 38.055 36.477 ( -7.798 19.814 31.540) 38.055 37.696 ( 18.676 -10.533 -5.881) 22.233 37.696 ( 18.676 10.533 -5.881) 22.233 ======================= Grid point 124 (69/69) ======================= q-point: (-0.11 -0.50 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 68 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.170 ( -7.487 -16.781 5.774) 19.261 1.170 ( -7.487 16.781 5.774) 19.261 1.435 ( 1.951 -2.572 6.863) 7.585 1.435 ( 1.951 2.572 6.863) 7.585 1.660 ( -9.365 -1.428 0.504) 9.487 1.660 ( -9.365 1.428 0.504) 9.487 1.894 ( -3.909 -5.718 3.270) 7.659 1.894 ( -3.909 5.718 3.270) 7.659 2.110 ( 3.712 -5.502 2.930) 7.255 2.110 ( 3.712 5.502 2.930) 7.255 2.226 ( -2.445 -8.873 2.957) 9.667 2.226 ( -2.445 8.873 2.957) 9.667 2.456 ( -2.438 -1.427 1.283) 3.103 2.456 ( -2.438 1.427 1.283) 3.103 2.607 ( -2.207 -2.720 3.906) 5.247 2.607 ( -2.207 2.720 3.906) 5.247 2.681 ( -3.828 -1.022 2.227) 4.545 2.681 ( -3.828 1.022 2.227) 4.545 2.890 ( 2.249 -9.089 -3.427) 9.970 2.890 ( 2.249 9.089 -3.427) 9.970 2.930 ( -4.993 -3.013 -4.761) 7.529 2.930 ( -4.993 3.013 -4.761) 7.529 3.093 ( 1.632 -5.930 -1.646) 6.367 3.093 ( 1.632 5.930 -1.646) 6.367 3.161 ( -1.991 -0.968 -1.253) 2.544 3.161 ( -1.991 0.968 -1.253) 2.544 3.256 ( -3.734 -5.338 1.776) 6.752 3.256 ( -3.734 5.338 1.776) 6.752 3.410 ( -4.998 -1.399 0.223) 5.195 3.410 ( -4.998 1.399 0.223) 5.195 3.634 ( -0.262 -5.534 5.897) 8.091 3.634 ( -0.262 5.534 5.897) 8.091 3.744 ( 2.904 -8.395 3.599) 9.585 3.744 ( 2.904 8.395 3.599) 9.585 3.898 ( 1.286 -3.233 2.572) 4.326 3.898 ( 1.286 3.233 2.572) 4.326 4.105 ( -0.209 -13.967 7.735) 15.968 4.105 ( -0.209 13.967 7.735) 15.968 4.198 ( -1.638 -2.170 0.855) 2.850 4.198 ( -1.638 2.170 0.855) 2.850 4.464 ( 1.188 -2.668 6.469) 7.098 4.464 ( 1.188 2.668 6.469) 7.098 4.546 ( -1.038 -2.739 -1.170) 3.155 4.546 ( -1.038 2.739 -1.170) 3.155 4.599 ( 1.351 -0.336 -5.863) 6.026 4.599 ( 1.351 0.336 -5.863) 6.026 4.751 ( -0.790 -4.049 -7.631) 8.675 4.751 ( -0.790 4.049 -7.631) 8.675 4.957 ( -0.864 -4.431 -1.807) 4.862 4.957 ( -0.864 4.431 -1.807) 4.862 5.099 ( 1.198 -3.989 -6.069) 7.361 5.099 ( 1.198 3.989 -6.069) 7.361 5.142 ( -1.747 -2.088 -0.087) 2.724 5.142 ( -1.747 2.088 -0.087) 2.724 5.289 ( 1.627 -2.416 -1.224) 3.159 5.289 ( 1.627 2.416 -1.224) 3.159 5.439 ( 1.465 -2.906 -2.410) 4.049 5.439 ( 1.465 2.906 -2.410) 4.049 5.550 ( 3.919 -2.756 -3.829) 6.133 5.550 ( 3.919 2.756 -3.829) 6.133 5.812 ( -0.885 -3.053 -0.034) 3.179 5.812 ( -0.885 3.053 -0.034) 3.179 6.008 ( -1.671 -1.681 2.439) 3.401 6.008 ( -1.671 1.681 2.439) 3.401 6.165 ( 1.146 -0.991 2.808) 3.191 6.165 ( 1.146 0.991 2.808) 3.191 6.216 ( -6.830 -3.496 -5.440) 9.406 6.216 ( -6.830 3.496 -5.440) 9.406 6.528 ( 1.055 -1.196 2.577) 3.031 6.528 ( 1.055 1.196 2.577) 3.031 6.647 ( -3.507 -4.310 2.006) 5.908 6.647 ( -3.507 4.310 2.006) 5.908 6.787 ( 5.194 -3.755 0.730) 6.450 6.787 ( 5.194 3.755 0.730) 6.450 6.973 ( 0.680 -4.079 -0.955) 4.244 6.973 ( 0.680 4.079 -0.955) 4.244 8.300 ( 16.609 -0.958 0.506) 16.644 8.300 ( 16.609 0.958 0.506) 16.644 8.387 ( 15.920 -1.986 -1.197) 16.088 8.387 ( 15.920 1.986 -1.197) 16.088 8.726 ( -2.855 -5.893 0.140) 6.550 8.726 ( -2.855 5.893 0.140) 6.550 8.853 ( -4.511 -1.885 -0.396) 4.905 8.853 ( -4.511 1.885 -0.396) 4.905 8.946 ( -3.872 -0.582 -0.955) 4.031 8.946 ( -3.872 0.582 -0.955) 4.031 9.080 ( -1.923 -0.617 -1.373) 2.442 9.080 ( -1.923 0.617 -1.373) 2.442 9.308 ( -3.342 -4.116 2.053) 5.686 9.308 ( -3.342 4.116 2.053) 5.686 9.393 ( -3.145 -2.241 0.070) 3.862 9.393 ( -3.145 2.241 0.070) 3.862 9.740 ( 0.404 -1.961 2.674) 3.341 9.740 ( 0.404 1.961 2.674) 3.341 10.055 ( 6.197 -2.528 -3.965) 7.779 10.055 ( 6.197 2.528 -3.965) 7.779 10.220 ( 6.560 -1.205 2.157) 7.010 10.220 ( 6.560 1.205 2.157) 7.010 10.303 ( 6.248 -3.607 -1.791) 7.434 10.303 ( 6.248 3.607 -1.791) 7.434 10.705 ( 4.832 -1.966 0.952) 5.302 10.705 ( 4.832 1.966 0.952) 5.302 10.807 ( 4.307 -3.966 -1.454) 6.033 10.807 ( 4.307 3.966 -1.454) 6.033 11.206 ( -6.968 -1.978 -0.379) 7.253 11.206 ( -6.968 1.978 -0.379) 7.253 11.302 ( -7.057 -3.072 0.314) 7.703 11.302 ( -7.057 3.072 0.314) 7.703 11.826 ( -1.264 -0.867 0.356) 1.574 11.826 ( -1.264 0.867 0.356) 1.574 11.919 ( 1.213 -1.293 -0.647) 1.887 11.919 ( 1.213 1.293 -0.647) 1.887 12.058 ( 2.402 -1.683 2.471) 3.835 12.058 ( 2.402 1.683 2.471) 3.835 12.193 ( 3.789 -4.538 -1.816) 6.184 12.193 ( 3.789 4.538 -1.816) 6.184 12.619 ( -2.798 -1.907 -0.383) 3.408 12.619 ( -2.798 1.907 -0.383) 3.408 12.685 ( -1.145 -2.160 0.515) 2.498 12.685 ( -1.145 2.160 0.515) 2.498 13.175 ( -5.717 -3.411 0.146) 6.659 13.175 ( -5.717 3.411 0.146) 6.659 13.219 ( -5.965 -3.907 0.013) 7.131 13.219 ( -5.965 3.907 0.013) 7.131 14.054 ( 5.687 -0.864 0.861) 5.816 14.054 ( 5.687 0.864 0.861) 5.816 14.112 ( 7.088 -3.528 -1.355) 8.033 14.112 ( 7.088 3.528 -1.355) 8.033 14.341 ( -4.079 -9.678 0.498) 10.514 14.341 ( -4.079 9.678 0.498) 10.514 14.504 ( -1.063 -4.880 0.932) 5.081 14.504 ( -1.063 4.880 0.932) 5.081 14.754 ( -12.805 -7.127 1.868) 14.773 14.754 ( -12.805 7.127 1.868) 14.773 14.825 ( -11.603 -4.383 -3.555) 12.902 14.825 ( -11.603 4.383 -3.555) 12.902 15.219 ( -3.554 -8.419 3.208) 9.685 15.219 ( -3.554 8.419 3.208) 9.685 15.413 ( 9.023 -9.642 -4.111) 13.831 15.413 ( 9.023 9.642 -4.111) 13.831 15.564 ( 3.059 -0.123 0.302) 3.076 15.564 ( 3.059 0.123 0.302) 3.076 15.781 ( -0.642 -5.982 -5.554) 8.188 15.781 ( -0.642 5.982 -5.554) 8.188 16.240 ( -2.081 -0.360 0.065) 2.113 16.240 ( -2.081 0.360 0.065) 2.113 16.344 ( -7.943 -1.121 -1.661) 8.192 16.344 ( -7.943 1.121 -1.661) 8.192 17.066 ( -0.021 -1.109 0.496) 1.215 17.066 ( -0.021 1.109 0.496) 1.215 17.114 ( -0.282 -0.779 0.135) 0.840 17.114 ( -0.282 0.779 0.135) 0.840 19.507 ( -1.072 -2.094 -1.094) 2.594 19.507 ( -1.072 2.094 -1.094) 2.594 19.692 ( -3.940 -1.082 -0.755) 4.155 19.692 ( -3.940 1.082 -0.755) 4.155 20.497 ( 4.264 -0.554 1.179) 4.458 20.497 ( 4.264 0.554 1.179) 4.458 20.658 ( 3.587 -0.583 -1.220) 3.833 20.658 ( 3.587 0.583 -1.220) 3.833 21.612 ( -5.159 -1.060 0.935) 5.349 21.612 ( -5.159 1.060 0.935) 5.349 21.762 ( -6.475 -0.491 -0.091) 6.495 21.762 ( -6.475 0.491 -0.091) 6.495 22.836 ( 4.634 -0.585 -1.931) 5.054 22.836 ( 4.634 0.585 -1.931) 5.054 23.123 ( 7.171 -0.484 1.101) 7.271 23.123 ( 7.171 0.484 1.101) 7.271 26.645 ( -9.971 -1.433 -0.067) 10.074 26.645 ( -9.971 1.433 -0.067) 10.074 26.743 ( -15.182 -3.993 -1.501) 15.770 26.743 ( -15.182 3.993 -1.501) 15.770 29.213 ( 20.228 -4.379 1.856) 20.780 29.213 ( 20.228 4.379 1.856) 20.780 29.276 ( 15.917 -2.758 0.220) 16.156 29.276 ( 15.917 2.758 0.220) 16.156 29.954 ( -17.611 -8.221 4.732) 20.003 29.954 ( -17.611 8.221 4.732) 20.003 30.289 ( -0.258 -1.923 -0.718) 2.069 30.289 ( -0.258 1.923 -0.718) 2.069 30.369 ( -5.922 -0.386 0.392) 5.948 30.369 ( -5.922 0.386 0.392) 5.948 30.639 ( -4.453 -11.843 -12.632) 17.879 30.639 ( -4.453 11.843 -12.632) 17.879 31.385 ( 5.497 -1.399 1.946) 5.997 31.385 ( 5.497 1.399 1.946) 5.997 31.634 ( 10.339 -6.687 -10.484) 16.171 31.634 ( 10.339 6.687 -10.484) 16.171 31.930 ( 3.413 -3.098 -0.642) 4.654 31.930 ( 3.413 3.098 -0.642) 4.654 32.100 ( -1.153 -10.030 -9.084) 13.581 32.100 ( -1.153 10.030 -9.084) 13.581 32.313 ( -14.100 -0.402 0.608) 14.119 32.313 ( -14.100 0.402 0.608) 14.119 32.393 ( -10.372 -11.473 -18.149) 23.845 32.393 ( -10.372 11.473 -18.149) 23.845 33.163 ( 1.155 -2.292 -1.033) 2.766 33.163 ( 1.155 2.292 -1.033) 2.766 33.540 ( 3.016 -3.395 -7.782) 9.010 33.540 ( 3.016 3.395 -7.782) 9.010 34.132 ( 7.769 -1.703 6.878) 10.515 34.132 ( 7.769 1.703 6.878) 10.515 34.502 ( -3.063 -2.302 2.448) 4.547 34.502 ( -3.063 2.302 2.448) 4.547 35.001 ( -3.764 -2.466 1.696) 4.809 35.001 ( -3.764 2.466 1.696) 4.809 35.089 ( 1.020 -3.006 -2.128) 3.821 35.089 ( 1.020 3.006 -2.128) 3.821 35.289 ( 0.989 -1.734 3.425) 3.964 35.289 ( 0.989 1.734 3.425) 3.964 35.397 ( -0.589 -1.888 -0.136) 1.982 35.397 ( -0.589 1.888 -0.136) 1.982 36.829 ( 0.793 -25.671 34.443) 42.964 36.829 ( 0.793 25.671 34.443) 42.964 37.851 ( 11.559 -11.489 -8.857) 18.548 37.851 ( 11.559 11.489 -8.857) 18.548 =================== 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 3/38880 10.0 40.263 20.550 12.403 0.000 -2.143 0.000 3/38880 20.0 9.705 5.869 4.592 0.000 0.263 0.000 3/38880 30.0 4.338 2.687 2.384 0.000 0.220 0.000 3/38880 40.0 2.627 1.645 1.555 0.000 0.156 0.000 3/38880 50.0 1.860 1.174 1.147 0.000 0.117 0.000 3/38880 60.0 1.446 0.916 0.910 0.000 0.093 0.000 3/38880 70.0 1.196 0.755 0.757 0.000 0.076 0.000 3/38880 80.0 1.033 0.647 0.650 0.000 0.065 0.000 3/38880 90.0 0.920 0.570 0.571 0.000 0.056 0.000 3/38880 100.0 0.838 0.512 0.510 0.000 0.049 0.000 3/38880 110.0 0.777 0.468 0.462 0.000 0.044 0.000 3/38880 120.0 0.730 0.434 0.423 0.000 0.039 0.000 3/38880 130.0 0.693 0.406 0.390 0.000 0.036 0.000 3/38880 140.0 0.663 0.383 0.363 0.000 0.033 0.000 3/38880 150.0 0.639 0.364 0.341 0.000 0.030 0.000 3/38880 160.0 0.619 0.347 0.321 0.000 0.028 0.000 3/38880 170.0 0.602 0.333 0.304 0.000 0.026 0.000 3/38880 180.0 0.588 0.320 0.290 0.000 0.024 0.000 3/38880 190.0 0.576 0.309 0.277 0.000 0.023 0.000 3/38880 200.0 0.566 0.299 0.266 0.000 0.021 0.000 3/38880 210.0 0.557 0.290 0.257 0.000 0.020 0.000 3/38880 220.0 0.549 0.282 0.249 0.000 0.019 0.000 3/38880 230.0 0.543 0.275 0.242 0.000 0.018 0.000 3/38880 240.0 0.537 0.268 0.235 0.000 0.017 0.000 3/38880 250.0 0.532 0.262 0.230 0.000 0.016 0.000 3/38880 260.0 0.527 0.256 0.225 0.000 0.015 0.000 3/38880 270.0 0.523 0.250 0.221 0.000 0.014 0.000 3/38880 280.0 0.519 0.245 0.218 0.000 0.014 0.000 3/38880 290.0 0.516 0.241 0.215 0.000 0.013 0.000 3/38880 300.0 0.512 0.236 0.212 0.000 0.012 0.000 3/38880 310.0 0.509 0.232 0.210 0.000 0.012 0.000 3/38880 320.0 0.506 0.228 0.208 0.000 0.011 0.000 3/38880 330.0 0.503 0.224 0.206 0.000 0.011 0.000 3/38880 340.0 0.499 0.221 0.205 0.000 0.010 0.000 3/38880 350.0 0.496 0.217 0.203 0.000 0.010 0.000 3/38880 360.0 0.493 0.214 0.202 0.000 0.009 0.000 3/38880 370.0 0.490 0.211 0.201 0.000 0.009 0.000 3/38880 380.0 0.486 0.208 0.199 0.000 0.009 0.000 3/38880 390.0 0.483 0.205 0.198 0.000 0.008 0.000 3/38880 400.0 0.479 0.202 0.197 0.000 0.008 0.000 3/38880 410.0 0.476 0.200 0.196 0.000 0.007 0.000 3/38880 420.0 0.473 0.197 0.195 0.000 0.007 0.000 3/38880 430.0 0.469 0.194 0.194 0.000 0.007 0.000 3/38880 440.0 0.465 0.192 0.193 0.000 0.006 0.000 3/38880 450.0 0.462 0.189 0.192 0.000 0.006 0.000 3/38880 460.0 0.458 0.187 0.191 0.000 0.006 0.000 3/38880 470.0 0.454 0.185 0.190 0.000 0.006 0.000 3/38880 480.0 0.451 0.183 0.189 0.000 0.005 0.000 3/38880 490.0 0.447 0.180 0.188 0.000 0.005 0.000 3/38880 500.0 0.443 0.178 0.187 0.000 0.005 0.000 3/38880 510.0 0.440 0.176 0.186 0.000 0.005 0.000 3/38880 520.0 0.436 0.174 0.185 0.000 0.005 0.000 3/38880 530.0 0.432 0.172 0.184 0.000 0.004 0.000 3/38880 540.0 0.428 0.170 0.183 0.000 0.004 0.000 3/38880 550.0 0.425 0.168 0.182 0.000 0.004 0.000 3/38880 560.0 0.421 0.166 0.180 0.000 0.004 0.000 3/38880 570.0 0.417 0.164 0.179 0.000 0.004 0.000 3/38880 580.0 0.414 0.162 0.178 0.000 0.003 0.000 3/38880 590.0 0.410 0.160 0.177 0.000 0.003 0.000 3/38880 600.0 0.406 0.159 0.176 0.000 0.003 0.000 3/38880 610.0 0.403 0.157 0.175 0.000 0.003 0.000 3/38880 620.0 0.399 0.155 0.174 0.000 0.003 0.000 3/38880 630.0 0.395 0.154 0.172 0.000 0.003 0.000 3/38880 640.0 0.392 0.152 0.171 0.000 0.003 0.000 3/38880 650.0 0.388 0.150 0.170 0.000 0.003 0.000 3/38880 660.0 0.385 0.149 0.169 0.000 0.003 0.000 3/38880 670.0 0.381 0.147 0.168 0.000 0.002 0.000 3/38880 680.0 0.378 0.146 0.166 0.000 0.002 0.000 3/38880 690.0 0.375 0.144 0.165 0.000 0.002 0.000 3/38880 700.0 0.371 0.143 0.164 0.000 0.002 0.000 3/38880 710.0 0.368 0.141 0.163 0.000 0.002 0.000 3/38880 720.0 0.365 0.140 0.162 0.000 0.002 0.000 3/38880 730.0 0.361 0.138 0.161 0.000 0.002 0.000 3/38880 740.0 0.358 0.137 0.159 0.000 0.002 0.000 3/38880 750.0 0.355 0.136 0.158 0.000 0.002 0.000 3/38880 760.0 0.352 0.134 0.157 0.000 0.002 0.000 3/38880 770.0 0.349 0.133 0.156 0.000 0.002 0.000 3/38880 780.0 0.346 0.132 0.155 0.000 0.002 0.000 3/38880 790.0 0.343 0.130 0.154 0.000 0.001 0.000 3/38880 800.0 0.340 0.129 0.153 0.000 0.001 0.000 3/38880 810.0 0.337 0.128 0.151 0.000 0.001 0.000 3/38880 820.0 0.334 0.127 0.150 0.000 0.001 0.000 3/38880 830.0 0.331 0.125 0.149 0.000 0.001 0.000 3/38880 840.0 0.328 0.124 0.148 0.000 0.001 0.000 3/38880 850.0 0.325 0.123 0.147 0.000 0.001 0.000 3/38880 860.0 0.322 0.122 0.146 0.000 0.001 0.000 3/38880 870.0 0.320 0.121 0.145 0.000 0.001 0.000 3/38880 880.0 0.317 0.120 0.144 0.000 0.001 0.000 3/38880 890.0 0.314 0.119 0.143 0.000 0.001 0.000 3/38880 900.0 0.312 0.118 0.142 0.000 0.001 0.000 3/38880 910.0 0.309 0.117 0.141 0.000 0.001 0.000 3/38880 920.0 0.307 0.116 0.140 0.000 0.001 0.000 3/38880 930.0 0.304 0.115 0.139 0.000 0.001 0.000 3/38880 940.0 0.301 0.114 0.138 0.000 0.001 0.000 3/38880 950.0 0.299 0.113 0.137 0.000 0.001 0.000 3/38880 960.0 0.297 0.112 0.136 0.000 0.001 0.000 3/38880 970.0 0.294 0.111 0.135 0.000 0.001 0.000 3/38880 980.0 0.292 0.110 0.134 0.000 0.001 0.000 3/38880 990.0 0.290 0.109 0.133 0.000 0.001 0.000 3/38880 1000.0 0.287 0.108 0.132 0.000 0.001 0.000 3/38880 Thermal conductivity related properties were written into "kappa-m945.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 07:10:35]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|