----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-08 01:05:49]------------------------- Compiled with OpenMP support (max 128 threads). Running in phonopy.load mode. Python version 3.14.2 Spglib version 2.6.1 Crystal structure was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". Unit of length: angstrom Settings: Supercell: [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 7.350730430005534 0.000000000000000 0.000000000000000 b 0.000000000000000 10.174949509999998 0.000000000000000 c -0.192867684419999 0.000000000000000 10.377748063342011 Atomic positions (fractional): *1 O 0.15587344993340 0.60840205944178 0.98488381633709 15.999 2 O 0.84412655006660 0.10840205944178 0.51511618366291 15.999 3 O 0.84412655006660 0.39159794055822 0.01511618366291 15.999 4 O 0.15587344993340 0.89159794055822 0.48488381633709 15.999 *5 O 0.59624658623830 0.88978901665500 0.51169772540527 15.999 6 O 0.40375341376170 0.38978901665500 0.98830227459473 15.999 7 O 0.40375341376170 0.11021098334500 0.48830227459473 15.999 8 O 0.59624658623830 0.61021098334500 0.01169772540527 15.999 *9 O 0.87866923953798 0.83211573402462 0.96129029349873 15.999 10 O 0.12133076046202 0.33211573402462 0.53870970650127 15.999 11 O 0.12133076046202 0.16788426597538 0.03870970650127 15.999 12 O 0.87866923953798 0.66788426597538 0.46129029349873 15.999 *13 O 0.80427906317739 0.00139947469841 0.76338075958645 15.999 14 O 0.19572093682261 0.50139947469841 0.73661924041355 15.999 *15 O 0.64121301089667 0.12194276332667 0.02864421734141 15.999 16 O 0.19572093682261 0.99860052530159 0.23661924041355 15.999 *17 O 0.85482479985618 0.76624672550424 0.22543747375632 15.999 18 O 0.14517520014382 0.26624672550424 0.27456252624368 15.999 19 O 0.14517520014382 0.23375327449576 0.77456252624368 15.999 20 O 0.85482479985618 0.73375327449576 0.72543747375632 15.999 *21 O 0.60515479698490 0.23582923851959 0.74500819122841 15.999 22 O 0.39484520301510 0.73582923851959 0.75499180877159 15.999 23 O 0.39484520301510 0.76417076148041 0.25499180877159 15.999 24 O 0.60515479698490 0.26417076148041 0.24500819122841 15.999 *25 O 0.11631321329842 0.60544813849838 0.27237952623147 15.999 26 O 0.88368678670158 0.10544813849838 0.22762047376853 15.999 27 O 0.88368678670158 0.39455186150162 0.72762047376853 15.999 28 O 0.11631321329842 0.89455186150162 0.77237952623147 15.999 *29 O 0.58468500526386 0.99378267893961 0.25274175092238 15.999 30 O 0.41531499473615 0.49378267893961 0.24725824907762 15.999 31 O 0.41531499473615 0.00621732106039 0.74725824907762 15.999 32 O 0.58468500526386 0.50621732106039 0.75274175092238 15.999 33 O 0.64121301089667 0.37805723667333 0.52864421734141 15.999 34 O 0.35878698910333 0.87805723667333 0.97135578265859 15.999 35 O 0.35878698910333 0.62194276332667 0.47135578265859 15.999 36 O 0.80427906317739 0.49860052530159 0.26338075958645 15.999 *37 Si 0.90022783249474 0.86510104868805 0.81003579137374 28.085 38 Si 0.09977216750526 0.36510104868805 0.68996420862626 28.085 39 Si 0.09977216750526 0.13489895131195 0.18996420862626 28.085 40 Si 0.90022783249474 0.63489895131195 0.31003579137374 28.085 *41 Si 0.33349714283726 0.87660489663392 0.81712497532114 28.085 42 Si 0.66650285716274 0.37660489663392 0.68287502467886 28.085 43 Si 0.66650285716274 0.12339510336608 0.18287502467886 28.085 44 Si 0.33349714283726 0.62339510336608 0.31712497532114 28.085 *45 Ca 0.13569634050347 0.07838855004503 0.61233855097654 40.078 46 Ca 0.86430365949653 0.57838855004503 0.88766144902346 40.078 47 Ca 0.86430365949653 0.92161144995497 0.38766144902346 40.078 48 Ca 0.13569634050347 0.42161144995497 0.11233855097654 40.078 *49 Ca 0.61794135770504 0.67428031298554 0.58975229871538 40.078 50 Ca 0.38205864229496 0.17428031298554 0.91024770128462 40.078 51 Ca 0.38205864229496 0.32571968701446 0.41024770128463 40.078 52 Ca 0.61794135770504 0.82571968701446 0.08975229871538 40.078 *53 Ca 0.12639802758849 0.69702586937026 0.60057499775135 40.078 54 Ca 0.87360197241151 0.19702586937026 0.89942500224865 40.078 55 Ca 0.87360197241151 0.30297413062974 0.39942500224865 40.078 56 Ca 0.12639802758849 0.80297413062974 0.10057499775135 40.078 *57 Zr 0.62257673246810 0.43425146456067 0.11453763011285 91.224 58 Zr 0.37742326753190 0.93425146456067 0.38546236988715 91.224 59 Zr 0.37742326753190 0.56574853543933 0.88546236988715 91.224 60 Zr 0.62257673246810 0.06574853543933 0.61453763011285 91.224 -------------------------------- unit cell --------------------------------- Lattice vectors: a 7.350730430005534 0.000000000000000 0.000000000000000 b 0.000000000000000 10.174949509999998 0.000000000000000 c -0.192867684419999 0.000000000000000 10.377748063342011 Atomic positions (fractional): *1 O 0.15587344993340 0.60840205944178 0.98488381633709 15.999 > 1 2 O 0.84412655006660 0.10840205944178 0.51511618366291 15.999 > 2 3 O 0.84412655006660 0.39159794055822 0.01511618366291 15.999 > 3 4 O 0.15587344993340 0.89159794055822 0.48488381633709 15.999 > 4 *5 O 0.59624658623830 0.88978901665500 0.51169772540527 15.999 > 5 6 O 0.40375341376170 0.38978901665500 0.98830227459473 15.999 > 6 7 O 0.40375341376170 0.11021098334500 0.48830227459473 15.999 > 7 8 O 0.59624658623830 0.61021098334500 0.01169772540527 15.999 > 8 *9 O 0.87866923953798 0.83211573402462 0.96129029349873 15.999 > 9 10 O 0.12133076046202 0.33211573402462 0.53870970650127 15.999 > 10 11 O 0.12133076046202 0.16788426597538 0.03870970650127 15.999 > 11 12 O 0.87866923953798 0.66788426597538 0.46129029349873 15.999 > 12 *13 O 0.80427906317739 0.00139947469841 0.76338075958645 15.999 > 13 14 O 0.19572093682261 0.50139947469841 0.73661924041355 15.999 > 14 *15 O 0.64121301089667 0.12194276332667 0.02864421734141 15.999 > 15 16 O 0.19572093682261 0.99860052530159 0.23661924041355 15.999 > 16 *17 O 0.85482479985618 0.76624672550424 0.22543747375632 15.999 > 17 18 O 0.14517520014382 0.26624672550424 0.27456252624368 15.999 > 18 19 O 0.14517520014382 0.23375327449576 0.77456252624368 15.999 > 19 20 O 0.85482479985618 0.73375327449576 0.72543747375632 15.999 > 20 *21 O 0.60515479698490 0.23582923851959 0.74500819122841 15.999 > 21 22 O 0.39484520301510 0.73582923851959 0.75499180877159 15.999 > 22 23 O 0.39484520301510 0.76417076148041 0.25499180877159 15.999 > 23 24 O 0.60515479698490 0.26417076148041 0.24500819122841 15.999 > 24 *25 O 0.11631321329842 0.60544813849838 0.27237952623147 15.999 > 25 26 O 0.88368678670158 0.10544813849838 0.22762047376853 15.999 > 26 27 O 0.88368678670158 0.39455186150162 0.72762047376853 15.999 > 27 28 O 0.11631321329842 0.89455186150162 0.77237952623147 15.999 > 28 *29 O 0.58468500526386 0.99378267893961 0.25274175092238 15.999 > 29 30 O 0.41531499473615 0.49378267893961 0.24725824907762 15.999 > 30 31 O 0.41531499473615 0.00621732106039 0.74725824907762 15.999 > 31 32 O 0.58468500526386 0.50621732106039 0.75274175092238 15.999 > 32 33 O 0.64121301089667 0.37805723667333 0.52864421734141 15.999 > 33 34 O 0.35878698910333 0.87805723667333 0.97135578265859 15.999 > 34 35 O 0.35878698910333 0.62194276332667 0.47135578265859 15.999 > 35 36 O 0.80427906317739 0.49860052530159 0.26338075958645 15.999 > 36 *37 Si 0.90022783249474 0.86510104868805 0.81003579137374 28.085 > 37 38 Si 0.09977216750526 0.36510104868805 0.68996420862626 28.085 > 38 39 Si 0.09977216750526 0.13489895131195 0.18996420862626 28.085 > 39 40 Si 0.90022783249474 0.63489895131195 0.31003579137374 28.085 > 40 *41 Si 0.33349714283726 0.87660489663392 0.81712497532114 28.085 > 41 42 Si 0.66650285716274 0.37660489663392 0.68287502467886 28.085 > 42 43 Si 0.66650285716274 0.12339510336608 0.18287502467886 28.085 > 43 44 Si 0.33349714283726 0.62339510336608 0.31712497532114 28.085 > 44 *45 Ca 0.13569634050347 0.07838855004503 0.61233855097654 40.078 > 45 46 Ca 0.86430365949653 0.57838855004503 0.88766144902346 40.078 > 46 47 Ca 0.86430365949653 0.92161144995497 0.38766144902346 40.078 > 47 48 Ca 0.13569634050347 0.42161144995497 0.11233855097654 40.078 > 48 *49 Ca 0.61794135770504 0.67428031298554 0.58975229871538 40.078 > 49 50 Ca 0.38205864229496 0.17428031298554 0.91024770128462 40.078 > 50 51 Ca 0.38205864229496 0.32571968701446 0.41024770128463 40.078 > 51 52 Ca 0.61794135770504 0.82571968701446 0.08975229871538 40.078 > 52 *53 Ca 0.12639802758849 0.69702586937026 0.60057499775135 40.078 > 53 54 Ca 0.87360197241151 0.19702586937026 0.89942500224865 40.078 > 54 55 Ca 0.87360197241151 0.30297413062974 0.39942500224865 40.078 > 55 56 Ca 0.12639802758849 0.80297413062974 0.10057499775135 40.078 > 56 *57 Zr 0.62257673246810 0.43425146456067 0.11453763011285 91.224 > 57 58 Zr 0.37742326753190 0.93425146456067 0.38546236988715 91.224 > 58 59 Zr 0.37742326753190 0.56574853543933 0.88546236988715 91.224 > 59 60 Zr 0.62257673246810 0.06574853543933 0.61453763011285 91.224 > 60 -------------------------------- super cell -------------------------------- Lattice vectors: a 14.701460860011068 0.000000000000000 0.000000000000000 b 0.000000000000000 10.174949509999998 0.000000000000000 c -0.192867684419999 0.000000000000000 10.377748063342011 Atomic positions (fractional): *1 O 0.07793672496670 0.60840205944178 0.98488381633709 15.999 > 1 2 O 0.57793672496670 0.60840205944178 0.98488381633709 15.999 > 1 3 O 0.42206327503330 0.10840205944178 0.51511618366291 15.999 > 2 4 O 0.92206327503330 0.10840205944178 0.51511618366291 15.999 > 2 5 O 0.42206327503330 0.39159794055822 0.01511618366291 15.999 > 3 6 O 0.92206327503330 0.39159794055822 0.01511618366291 15.999 > 3 7 O 0.07793672496670 0.89159794055822 0.48488381633709 15.999 > 4 8 O 0.57793672496670 0.89159794055822 0.48488381633709 15.999 > 4 *9 O 0.29812329311915 0.88978901665500 0.51169772540527 15.999 > 5 10 O 0.79812329311915 0.88978901665500 0.51169772540527 15.999 > 5 11 O 0.20187670688085 0.38978901665500 0.98830227459473 15.999 > 6 12 O 0.70187670688085 0.38978901665500 0.98830227459473 15.999 > 6 13 O 0.20187670688085 0.11021098334500 0.48830227459473 15.999 > 7 14 O 0.70187670688085 0.11021098334500 0.48830227459473 15.999 > 7 15 O 0.29812329311915 0.61021098334500 0.01169772540527 15.999 > 8 16 O 0.79812329311915 0.61021098334500 0.01169772540527 15.999 > 8 *17 O 0.43933461976899 0.83211573402462 0.96129029349873 15.999 > 9 18 O 0.93933461976899 0.83211573402462 0.96129029349873 15.999 > 9 19 O 0.06066538023101 0.33211573402462 0.53870970650127 15.999 > 10 20 O 0.56066538023101 0.33211573402462 0.53870970650127 15.999 > 10 21 O 0.06066538023101 0.16788426597538 0.03870970650127 15.999 > 11 22 O 0.56066538023101 0.16788426597538 0.03870970650127 15.999 > 11 23 O 0.43933461976899 0.66788426597538 0.46129029349873 15.999 > 12 24 O 0.93933461976899 0.66788426597538 0.46129029349873 15.999 > 12 *25 O 0.40213953158870 0.00139947469841 0.76338075958645 15.999 > 13 26 O 0.90213953158870 0.00139947469841 0.76338075958645 15.999 > 13 27 O 0.09786046841130 0.50139947469841 0.73661924041355 15.999 > 14 28 O 0.59786046841130 0.50139947469841 0.73661924041355 15.999 > 14 *29 O 0.32060650544834 0.12194276332667 0.02864421734141 15.999 > 15 30 O 0.82060650544834 0.12194276332667 0.02864421734141 15.999 > 15 31 O 0.09786046841130 0.99860052530159 0.23661924041355 15.999 > 16 32 O 0.59786046841130 0.99860052530159 0.23661924041355 15.999 > 16 *33 O 0.42741239992809 0.76624672550424 0.22543747375632 15.999 > 17 34 O 0.92741239992809 0.76624672550424 0.22543747375632 15.999 > 17 35 O 0.07258760007191 0.26624672550424 0.27456252624368 15.999 > 18 36 O 0.57258760007191 0.26624672550424 0.27456252624368 15.999 > 18 37 O 0.07258760007191 0.23375327449576 0.77456252624368 15.999 > 19 38 O 0.57258760007191 0.23375327449576 0.77456252624368 15.999 > 19 39 O 0.42741239992809 0.73375327449576 0.72543747375632 15.999 > 20 40 O 0.92741239992809 0.73375327449576 0.72543747375632 15.999 > 20 *41 O 0.30257739849245 0.23582923851959 0.74500819122841 15.999 > 21 42 O 0.80257739849245 0.23582923851959 0.74500819122841 15.999 > 21 43 O 0.19742260150755 0.73582923851959 0.75499180877159 15.999 > 22 44 O 0.69742260150755 0.73582923851959 0.75499180877159 15.999 > 22 45 O 0.19742260150755 0.76417076148041 0.25499180877159 15.999 > 23 46 O 0.69742260150755 0.76417076148041 0.25499180877159 15.999 > 23 47 O 0.30257739849245 0.26417076148041 0.24500819122841 15.999 > 24 48 O 0.80257739849245 0.26417076148041 0.24500819122841 15.999 > 24 *49 O 0.05815660664921 0.60544813849838 0.27237952623147 15.999 > 25 50 O 0.55815660664921 0.60544813849838 0.27237952623147 15.999 > 25 51 O 0.44184339335079 0.10544813849838 0.22762047376853 15.999 > 26 52 O 0.94184339335079 0.10544813849838 0.22762047376853 15.999 > 26 53 O 0.44184339335079 0.39455186150162 0.72762047376853 15.999 > 27 54 O 0.94184339335079 0.39455186150162 0.72762047376853 15.999 > 27 55 O 0.05815660664921 0.89455186150162 0.77237952623147 15.999 > 28 56 O 0.55815660664921 0.89455186150162 0.77237952623147 15.999 > 28 *57 O 0.29234250263193 0.99378267893961 0.25274175092238 15.999 > 29 58 O 0.79234250263193 0.99378267893961 0.25274175092238 15.999 > 29 59 O 0.20765749736807 0.49378267893961 0.24725824907762 15.999 > 30 60 O 0.70765749736807 0.49378267893961 0.24725824907762 15.999 > 30 61 O 0.20765749736807 0.00621732106039 0.74725824907762 15.999 > 31 62 O 0.70765749736807 0.00621732106039 0.74725824907762 15.999 > 31 63 O 0.29234250263193 0.50621732106039 0.75274175092238 15.999 > 32 64 O 0.79234250263193 0.50621732106039 0.75274175092238 15.999 > 32 65 O 0.32060650544834 0.37805723667333 0.52864421734141 15.999 > 33 66 O 0.82060650544834 0.37805723667333 0.52864421734141 15.999 > 33 67 O 0.17939349455166 0.87805723667333 0.97135578265859 15.999 > 34 68 O 0.67939349455166 0.87805723667333 0.97135578265859 15.999 > 34 69 O 0.17939349455166 0.62194276332667 0.47135578265859 15.999 > 35 70 O 0.67939349455166 0.62194276332667 0.47135578265859 15.999 > 35 71 O 0.40213953158870 0.49860052530159 0.26338075958645 15.999 > 36 72 O 0.90213953158870 0.49860052530159 0.26338075958645 15.999 > 36 *73 Si 0.45011391624737 0.86510104868805 0.81003579137374 28.085 > 37 74 Si 0.95011391624737 0.86510104868805 0.81003579137374 28.085 > 37 75 Si 0.04988608375263 0.36510104868805 0.68996420862626 28.085 > 38 76 Si 0.54988608375263 0.36510104868805 0.68996420862626 28.085 > 38 77 Si 0.04988608375263 0.13489895131195 0.18996420862626 28.085 > 39 78 Si 0.54988608375263 0.13489895131195 0.18996420862626 28.085 > 39 79 Si 0.45011391624737 0.63489895131195 0.31003579137374 28.085 > 40 80 Si 0.95011391624737 0.63489895131195 0.31003579137374 28.085 > 40 *81 Si 0.16674857141863 0.87660489663392 0.81712497532114 28.085 > 41 82 Si 0.66674857141863 0.87660489663392 0.81712497532114 28.085 > 41 83 Si 0.33325142858137 0.37660489663392 0.68287502467886 28.085 > 42 84 Si 0.83325142858137 0.37660489663392 0.68287502467886 28.085 > 42 85 Si 0.33325142858137 0.12339510336608 0.18287502467886 28.085 > 43 86 Si 0.83325142858137 0.12339510336608 0.18287502467886 28.085 > 43 87 Si 0.16674857141863 0.62339510336608 0.31712497532114 28.085 > 44 88 Si 0.66674857141863 0.62339510336608 0.31712497532114 28.085 > 44 *89 Ca 0.06784817025173 0.07838855004503 0.61233855097654 40.078 > 45 90 Ca 0.56784817025173 0.07838855004503 0.61233855097654 40.078 > 45 91 Ca 0.43215182974827 0.57838855004503 0.88766144902346 40.078 > 46 92 Ca 0.93215182974827 0.57838855004503 0.88766144902346 40.078 > 46 93 Ca 0.43215182974827 0.92161144995497 0.38766144902346 40.078 > 47 94 Ca 0.93215182974827 0.92161144995497 0.38766144902346 40.078 > 47 95 Ca 0.06784817025173 0.42161144995497 0.11233855097654 40.078 > 48 96 Ca 0.56784817025173 0.42161144995497 0.11233855097654 40.078 > 48 *97 Ca 0.30897067885252 0.67428031298554 0.58975229871538 40.078 > 49 98 Ca 0.80897067885252 0.67428031298554 0.58975229871538 40.078 > 49 99 Ca 0.19102932114748 0.17428031298554 0.91024770128462 40.078 > 50 100 Ca 0.69102932114748 0.17428031298554 0.91024770128462 40.078 > 50 101 Ca 0.19102932114748 0.32571968701446 0.41024770128463 40.078 > 51 102 Ca 0.69102932114748 0.32571968701446 0.41024770128463 40.078 > 51 103 Ca 0.30897067885252 0.82571968701446 0.08975229871538 40.078 > 52 104 Ca 0.80897067885252 0.82571968701446 0.08975229871538 40.078 > 52 *105 Ca 0.06319901379425 0.69702586937026 0.60057499775135 40.078 > 53 106 Ca 0.56319901379425 0.69702586937026 0.60057499775135 40.078 > 53 107 Ca 0.43680098620575 0.19702586937026 0.89942500224865 40.078 > 54 108 Ca 0.93680098620575 0.19702586937026 0.89942500224865 40.078 > 54 109 Ca 0.43680098620575 0.30297413062974 0.39942500224865 40.078 > 55 110 Ca 0.93680098620575 0.30297413062974 0.39942500224865 40.078 > 55 111 Ca 0.06319901379425 0.80297413062974 0.10057499775135 40.078 > 56 112 Ca 0.56319901379425 0.80297413062974 0.10057499775135 40.078 > 56 *113 Zr 0.31128836623405 0.43425146456067 0.11453763011285 91.224 > 57 114 Zr 0.81128836623405 0.43425146456067 0.11453763011285 91.224 > 57 115 Zr 0.18871163376595 0.93425146456067 0.38546236988715 91.224 > 58 116 Zr 0.68871163376595 0.93425146456067 0.38546236988715 91.224 > 58 117 Zr 0.18871163376595 0.56574853543933 0.88546236988715 91.224 > 59 118 Zr 0.68871163376595 0.56574853543933 0.88546236988715 91.224 > 59 119 Zr 0.31128836623405 0.06574853543933 0.61453763011285 91.224 > 60 120 Zr 0.81128836623405 0.06574853543933 0.61453763011285 91.224 > 60 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 3.4116822 0.0000000 0.0110781 0.0000000 3.3118747 0.0000000 0.0111261 0.0000000 3.3684185 -------------------------- Born effective charges -------------------------- 1 O -2.8814699 0.1948585 0.6246945 0.3930884 -1.9160153 -0.2887752 0.5581973 -0.0531578 -1.9600171 2 O -2.8814699 -0.1948585 0.6246945 -0.3930884 -1.9160153 0.2887752 0.5581973 0.0531578 -1.9600171 3 O -2.8814699 0.1948585 0.6246945 0.3930884 -1.9160153 -0.2887752 0.5581973 -0.0531578 -1.9600171 4 O -2.8814699 -0.1948585 0.6246945 -0.3930884 -1.9160153 0.2887752 0.5581973 0.0531578 -1.9600171 5 O -2.2220605 -0.0615749 -0.6452264 0.0109891 -2.3781087 -0.2812778 -0.5629154 -0.3368748 -2.1318580 6 O -2.2220605 0.0615749 -0.6452264 -0.0109891 -2.3781087 0.2812778 -0.5629154 0.3368748 -2.1318580 7 O -2.2220605 -0.0615749 -0.6452264 0.0109891 -2.3781087 -0.2812778 -0.5629154 -0.3368748 -2.1318580 8 O -2.2220605 0.0615749 -0.6452264 -0.0109891 -2.3781087 0.2812778 -0.5629154 0.3368748 -2.1318580 9 O -1.7787602 0.0689941 0.0597060 0.0273327 -1.5621430 0.1770953 0.0640397 0.2112286 -2.3653793 10 O -1.7787602 -0.0689941 0.0597060 -0.0273327 -1.5621430 -0.1770953 0.0640397 -0.2112286 -2.3653793 11 O -1.7787602 0.0689941 0.0597060 0.0273327 -1.5621430 0.1770953 0.0640397 0.2112286 -2.3653793 12 O -1.7787602 -0.0689941 0.0597060 -0.0273327 -1.5621430 -0.1770953 0.0640397 -0.2112286 -2.3653793 13 O -1.9689382 0.6440308 -0.7943212 0.4822347 -2.1541394 0.4456409 -0.7328415 0.4882353 -2.1136197 14 O -1.9689382 -0.6440308 -0.7943212 -0.4822347 -2.1541394 -0.4456409 -0.7328415 -0.4882353 -2.1136197 15 O -1.6235871 -0.0578106 -0.0894004 -0.0269035 -1.6457657 0.1451925 -0.0909350 0.2141255 -2.3196901 16 O -1.9689382 0.6440308 -0.7943212 0.4822347 -2.1541394 0.4456409 -0.7328415 0.4882353 -2.1136197 17 O -1.7712916 0.2052645 -0.1358517 0.1262471 -2.0317042 0.1200407 -0.0943426 0.0868831 -1.9372051 18 O -1.7712916 -0.2052645 -0.1358517 -0.1262471 -2.0317042 -0.1200407 -0.0943426 -0.0868831 -1.9372051 19 O -1.7712916 0.2052645 -0.1358517 0.1262471 -2.0317042 0.1200407 -0.0943426 0.0868831 -1.9372051 20 O -1.7712916 -0.2052645 -0.1358517 -0.1262471 -2.0317042 -0.1200407 -0.0943426 -0.0868831 -1.9372051 21 O -1.4553655 -0.2249280 0.0923766 -0.1593965 -2.6247217 -0.2748811 0.0847115 -0.3770257 -1.9837734 22 O -1.4553655 0.2249280 0.0923766 0.1593965 -2.6247217 0.2748811 0.0847115 0.3770257 -1.9837734 23 O -1.4553655 -0.2249280 0.0923766 -0.1593965 -2.6247217 -0.2748811 0.0847115 -0.3770257 -1.9837734 24 O -1.4553655 0.2249280 0.0923766 0.1593965 -2.6247217 0.2748811 0.0847115 0.3770257 -1.9837734 25 O -3.0094448 0.0640339 0.0263883 0.0147727 -1.4392460 -0.1932974 -0.0816959 -0.2243119 -1.4333352 26 O -3.0094448 -0.0640339 0.0263883 -0.0147727 -1.4392460 0.1932974 -0.0816959 0.2243119 -1.4333352 27 O -3.0094448 0.0640339 0.0263883 0.0147727 -1.4392460 -0.1932974 -0.0816959 -0.2243119 -1.4333352 28 O -3.0094448 -0.0640339 0.0263883 -0.0147727 -1.4392460 0.1932974 -0.0816959 0.2243119 -1.4333352 29 O -2.0970039 -0.5071745 0.6879185 -0.4268293 -2.0503285 0.4702448 0.6426989 0.5122828 -2.1486695 30 O -2.0970039 0.5071745 0.6879185 0.4268293 -2.0503285 -0.4702448 0.6426989 -0.5122828 -2.1486695 31 O -2.0970039 -0.5071745 0.6879185 -0.4268293 -2.0503285 0.4702448 0.6426989 0.5122828 -2.1486695 32 O -2.0970039 0.5071745 0.6879185 0.4268293 -2.0503285 -0.4702448 0.6426989 -0.5122828 -2.1486695 33 O -1.6235871 0.0578106 -0.0894004 0.0269035 -1.6457657 -0.1451925 -0.0909350 -0.2141255 -2.3196901 34 O -1.6235871 -0.0578106 -0.0894004 -0.0269035 -1.6457657 0.1451925 -0.0909350 0.2141255 -2.3196901 35 O -1.6235871 0.0578106 -0.0894004 0.0269035 -1.6457657 -0.1451925 -0.0909350 -0.2141255 -2.3196901 36 O -1.9689382 -0.6440308 -0.7943212 -0.4822347 -2.1541394 -0.4456409 -0.7328415 -0.4882353 -2.1136197 37 Si 3.1336449 -0.2713946 -0.0365076 -0.1836041 3.1705116 -0.2590655 0.0803162 -0.4966671 2.9907877 38 Si 3.1336449 0.2713946 -0.0365076 0.1836041 3.1705116 0.2590655 0.0803162 0.4966671 2.9907877 39 Si 3.1336449 -0.2713946 -0.0365076 -0.1836041 3.1705116 -0.2590655 0.0803162 -0.4966671 2.9907877 40 Si 3.1336449 0.2713946 -0.0365076 0.1836041 3.1705116 0.2590655 0.0803162 0.4966671 2.9907877 41 Si 2.9180992 0.1862490 0.0747423 0.0017130 3.3329064 -0.2408103 0.0776398 -0.6189491 3.0321535 42 Si 2.9180992 -0.1862490 0.0747423 -0.0017130 3.3329064 0.2408103 0.0776398 0.6189491 3.0321535 43 Si 2.9180992 0.1862490 0.0747423 0.0017130 3.3329064 -0.2408103 0.0776398 -0.6189491 3.0321535 44 Si 2.9180992 -0.1862490 0.0747423 -0.0017130 3.3329064 0.2408103 0.0776398 0.6189491 3.0321535 45 Ca 2.6303166 -0.3078676 -0.0590034 -0.1476365 2.3599787 0.1586767 -0.0430739 0.2535971 2.1575013 46 Ca 2.6303166 0.3078676 -0.0590034 0.1476365 2.3599787 -0.1586767 -0.0430739 -0.2535971 2.1575013 47 Ca 2.6303166 -0.3078676 -0.0590034 -0.1476365 2.3599787 0.1586767 -0.0430739 0.2535971 2.1575013 48 Ca 2.6303166 0.3078676 -0.0590034 0.1476365 2.3599787 -0.1586767 -0.0430739 -0.2535971 2.1575013 49 Ca 2.5262609 0.0624589 0.0260713 0.1040196 2.5161645 -0.2877134 -0.0015661 -0.1727910 2.5241296 50 Ca 2.5262609 -0.0624589 0.0260713 -0.1040196 2.5161645 0.2877134 -0.0015661 0.1727910 2.5241296 51 Ca 2.5262609 0.0624589 0.0260713 0.1040196 2.5161645 -0.2877134 -0.0015661 -0.1727910 2.5241296 52 Ca 2.5262609 -0.0624589 0.0260713 -0.1040196 2.5161645 0.2877134 -0.0015661 0.1727910 2.5241296 53 Ca 2.3983389 0.0381698 -0.0889600 -0.0955732 2.3062571 -0.2318627 0.0471884 -0.1779071 2.6786065 54 Ca 2.3983389 -0.0381698 -0.0889600 0.0955732 2.3062571 0.2318627 0.0471884 0.1779071 2.6786065 55 Ca 2.3983389 0.0381698 -0.0889600 -0.0955732 2.3062571 -0.2318627 0.0471884 -0.1779071 2.6786065 56 Ca 2.3983389 -0.0381698 -0.0889600 0.0955732 2.3062571 0.2318627 0.0471884 0.1779071 2.6786065 57 Zr 5.2012612 -0.4545692 0.2573732 -0.4611890 4.1163542 -0.1955704 0.0525786 -0.4405026 5.0103689 58 Zr 5.2012612 0.4545692 0.2573732 0.4611890 4.1163542 0.1955704 0.0525786 0.4405026 5.0103689 59 Zr 5.2012612 -0.4545692 0.2573732 -0.4611890 4.1163542 -0.1955704 0.0525786 -0.4405026 5.0103689 60 Zr 5.2012612 0.4545692 0.2573732 0.4611890 4.1163542 0.1955704 0.0525786 0.4405026 5.0103689 ---------------------------------------------------------------------------- Displacement-force dataset was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". -------------------------------- Symfc start ------------------------------- Symfc version 1.5.4 (https://github.com/symfc/symfc) Citation: A. Seko and A. Togo, Phys. Rev. B, 110, 214302 (2024) Computing [2] order force constants. Permutation basis: 360/360 Permutation basis: 32580/32580 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 8280 Number of blocks in projector: 8280 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: 1800 Use submatrix version of eigh solver. (1) Block: 500 / 1800 (2) Block: 250 / 500 (2) 220 eigenvectors found. (2) Block: 500 / 500 (2) 222 eigenvectors found. (2) Complementary block size: 58 (2) Compute compressed projector. (2) Use standard solver. (2) 28 eigenvectors found. (1) 470 eigenvectors found. (1) Block: 1000 / 1800 (2) Block: 250 / 500 (2) 224 eigenvectors found. (2) Block: 500 / 500 (2) 226 eigenvectors found. (2) Complementary block size: 50 (2) Compute compressed projector. (2) Use standard solver. (2) 24 eigenvectors found. (1) 474 eigenvectors found. (1) Block: 1500 / 1800 (2) Block: 250 / 500 (2) 230 eigenvectors found. (2) Block: 500 / 500 (2) 234 eigenvectors found. (2) Complementary block size: 36 (2) Compute compressed projector. (2) Use standard solver. (2) 16 eigenvectors found. (1) 480 eigenvectors found. (1) Block: 1800 / 1800 (1) 270 eigenvectors found. (1) Complementary block size: 106 (1) Compute compressed projector. (1) Use standard solver. (1) 76 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 1800 Use submatrix version of eigh solver. (1) Block: 500 / 1800 (2) Block: 250 / 500 (2) 220 eigenvectors found. (2) Block: 500 / 500 (2) 222 eigenvectors found. (2) Complementary block size: 58 (2) Compute compressed projector. (2) Use standard solver. (2) 28 eigenvectors found. (1) 470 eigenvectors found. (1) Block: 1000 / 1800 (2) Block: 250 / 500 (2) 224 eigenvectors found. (2) Block: 500 / 500 (2) 226 eigenvectors found. (2) Complementary block size: 50 (2) Compute compressed projector. (2) Use standard solver. (2) 24 eigenvectors found. (1) 474 eigenvectors found. (1) Block: 1500 / 1800 (2) Block: 250 / 500 (2) 230 eigenvectors found. (2) Block: 500 / 500 (2) 234 eigenvectors found. (2) Complementary block size: 36 (2) Compute compressed projector. (2) Use standard solver. (2) 16 eigenvectors found. (1) 480 eigenvectors found. (1) Block: 1800 / 1800 (1) 270 eigenvectors found. (1) Complementary block size: 106 (1) Compute compressed projector. (1) Use standard solver. (1) 76 eigenvectors found. --- Eigsh_solver_block: 3 / 6 --- Block_size: 1800 Use submatrix version of eigh solver. (1) Block: 500 / 1800 (2) Block: 250 / 500 (2) 221 eigenvectors found. (2) Block: 500 / 500 (2) 223 eigenvectors found. (2) Complementary block size: 56 (2) Compute compressed projector. (2) Use standard solver. (2) 27 eigenvectors found. (1) 471 eigenvectors found. (1) Block: 1000 / 1800 (2) Block: 250 / 500 (2) 225 eigenvectors found. (2) Block: 500 / 500 (2) 227 eigenvectors found. (2) Complementary block size: 48 (2) Compute compressed projector. (2) Use standard solver. (2) 23 eigenvectors found. (1) 475 eigenvectors found. (1) Block: 1500 / 1800 (2) Block: 250 / 500 (2) 231 eigenvectors found. (2) Block: 500 / 500 (2) 233 eigenvectors found. (2) Complementary block size: 36 (2) Compute compressed projector. (2) Use standard solver. (2) 17 eigenvectors found. (1) 481 eigenvectors found. (1) Block: 1800 / 1800 (1) 287 eigenvectors found. (1) Complementary block size: 86 (1) Compute compressed projector. (1) Use standard solver. (1) 57 eigenvectors found. --- Eigsh_solver_block: 4 / 6 --- Block_size: 960 Use submatrix version of eigh solver. (1) Block: 500 / 960 (2) Block: 250 / 500 (2) 235 eigenvectors found. (2) Block: 500 / 500 (2) 237 eigenvectors found. (2) Complementary block size: 28 (2) Compute compressed projector. (2) Use standard solver. (2) 13 eigenvectors found. (1) 485 eigenvectors found. (1) Block: 960 / 960 (1) 445 eigenvectors found. (1) Complementary block size: 30 (1) Compute compressed projector. (1) Use standard solver. (1) 15 eigenvectors found. --- Eigsh_solver_block: 5 / 6 --- Block_size: 960 Use submatrix version of eigh solver. (1) Block: 500 / 960 (2) Block: 250 / 500 (2) 235 eigenvectors found. (2) Block: 500 / 500 (2) 237 eigenvectors found. (2) Complementary block size: 28 (2) Compute compressed projector. (2) Use standard solver. (2) 13 eigenvectors found. (1) 485 eigenvectors found. (1) Block: 960 / 960 (1) 445 eigenvectors found. (1) Complementary block size: 30 (1) Compute compressed projector. (1) Use standard solver. (1) 15 eigenvectors found. --- Eigsh_solver_block: 6 / 6 --- Block_size: 960 Use submatrix version of eigh solver. (1) Block: 500 / 960 (2) Block: 250 / 500 (2) 235 eigenvectors found. (2) Block: 500 / 500 (2) 237 eigenvectors found. (2) Complementary block size: 28 (2) Compute compressed projector. (2) Use standard solver. (2) 13 eigenvectors found. (1) 485 eigenvectors found. (1) Block: 960 / 960 (1) 445 eigenvectors found. (1) Complementary block size: 30 (1) Compute compressed projector. (1) Use standard solver. (1) 15 eigenvectors found. Tree of FC basis block matrices: - (8280, 8146), data: False |-- (960, 945), data: False |-- (960, 15), data: (960, 30) @ (30, 15) |-- (460, 445), data: True |-- (500, 485), data: False |-- (500, 13), data: (500, 28) @ (28, 13) |-- (250, 237), data: True |-- (250, 235), data: True |-- (960, 945), data: False |-- (960, 15), data: (960, 30) @ (30, 15) |-- (460, 445), data: True |-- (500, 485), data: False |-- (500, 13), data: (500, 28) @ (28, 13) |-- (250, 237), data: True |-- (250, 235), data: True |-- (960, 945), data: False |-- (960, 15), data: (960, 30) @ (30, 15) |-- (460, 445), data: True |-- (500, 485), data: False |-- (500, 13), data: (500, 28) @ (28, 13) |-- (250, 237), data: True |-- (250, 235), data: True |-- (1800, 1771), data: False |-- (1800, 57), data: (1800, 86) @ (86, 57) |-- (300, 287), data: True |-- (500, 481), data: False |-- (500, 17), data: (500, 36) @ (36, 17) |-- (250, 233), data: True |-- (250, 231), data: True |-- (500, 475), data: False |-- (500, 23), data: (500, 48) @ (48, 23) |-- (250, 227), data: True |-- (250, 225), data: True |-- (500, 471), data: False |-- (500, 27), data: (500, 56) @ (56, 27) |-- (250, 223), data: True |-- (250, 221), data: True |-- (1800, 1770), data: False |-- (1800, 76), data: (1800, 106) @ (106, 76) |-- (300, 270), data: True |-- (500, 480), data: False |-- (500, 16), data: (500, 36) @ (36, 16) |-- (250, 234), data: True |-- (250, 230), data: True |-- (500, 474), data: False |-- (500, 24), data: (500, 50) @ (50, 24) |-- (250, 226), data: True |-- (250, 224), data: True |-- (500, 470), data: False |-- (500, 28), data: (500, 58) @ (58, 28) |-- (250, 222), data: True |-- (250, 220), data: True |-- (1800, 1770), data: False |-- (1800, 76), data: (1800, 106) @ (106, 76) |-- (300, 270), data: True |-- (500, 480), data: False |-- (500, 16), data: (500, 36) @ (36, 16) |-- (250, 234), data: True |-- (250, 230), data: True |-- (500, 474), data: False |-- (500, 24), data: (500, 50) @ (50, 24) |-- (250, 226), data: True |-- (250, 224), data: True |-- (500, 470), data: False |-- (500, 28), data: (500, 58) @ (58, 28) |-- (250, 222), data: True |-- (250, 220), data: True ----- Solver_atoms: 1 -- 120 / 120 Time (Solver_compr_matrix_reshape): 0.003 Solver_block: 100 / 1840 - Time: 2.432 Solver_block: 200 / 1840 - Time: 2.103 Solver_block: 300 / 1840 - Time: 2.125 Solver_block: 400 / 1840 - Time: 2.132 Solver_block: 500 / 1840 - Time: 2.128 Solver_block: 600 / 1840 - Time: 2.124 Solver_block: 700 / 1840 - Time: 2.137 Solver_block: 800 / 1840 - Time: 2.130 Solver_block: 900 / 1840 - Time: 2.126 Solver_block: 1000 / 1840 - Time: 2.139 Solver_block: 1100 / 1840 - Time: 2.133 Solver_block: 1200 / 1840 - Time: 2.130 Solver_block: 1300 / 1840 - Time: 2.126 Solver_block: 1400 / 1840 - Time: 2.132 Solver_block: 1500 / 1840 - Time: 2.128 Solver_block: 1600 / 1840 - Time: 2.123 Solver_block: 1700 / 1840 - Time: 2.131 Solver_block: 1800 / 1840 - Time: 2.133 Solver_block: 1840 / 1840 - Time: 1.013 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 40.725 --------------------------------- Symfc end -------------------------------- Max drift of force constants: 0.00000000 (zz) 0.00000000 (zz) Permutation basis: 360/360 Permutation basis: 32580/32580 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 8280 Number of blocks in projector: 8280 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: 1800 Use submatrix version of eigh solver. (1) Block: 500 / 1800 (2) Block: 250 / 500 (2) 220 eigenvectors found. (2) Block: 500 / 500 (2) 222 eigenvectors found. (2) Complementary block size: 58 (2) Compute compressed projector. (2) Use standard solver. (2) 28 eigenvectors found. (1) 470 eigenvectors found. (1) Block: 1000 / 1800 (2) Block: 250 / 500 (2) 224 eigenvectors found. (2) Block: 500 / 500 (2) 226 eigenvectors found. (2) Complementary block size: 50 (2) Compute compressed projector. (2) Use standard solver. (2) 24 eigenvectors found. (1) 474 eigenvectors found. (1) Block: 1500 / 1800 (2) Block: 250 / 500 (2) 230 eigenvectors found. (2) Block: 500 / 500 (2) 234 eigenvectors found. (2) Complementary block size: 36 (2) Compute compressed projector. (2) Use standard solver. (2) 16 eigenvectors found. (1) 480 eigenvectors found. (1) Block: 1800 / 1800 (1) 270 eigenvectors found. (1) Complementary block size: 106 (1) Compute compressed projector. (1) Use standard solver. (1) 76 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 1800 Use submatrix version of eigh solver. (1) Block: 500 / 1800 (2) Block: 250 / 500 (2) 220 eigenvectors found. (2) Block: 500 / 500 (2) 222 eigenvectors found. (2) Complementary block size: 58 (2) Compute compressed projector. (2) Use standard solver. (2) 28 eigenvectors found. (1) 470 eigenvectors found. (1) Block: 1000 / 1800 (2) Block: 250 / 500 (2) 224 eigenvectors found. (2) Block: 500 / 500 (2) 226 eigenvectors found. (2) Complementary block size: 50 (2) Compute compressed projector. (2) Use standard solver. (2) 24 eigenvectors found. (1) 474 eigenvectors found. (1) Block: 1500 / 1800 (2) Block: 250 / 500 (2) 230 eigenvectors found. (2) Block: 500 / 500 (2) 234 eigenvectors found. (2) Complementary block size: 36 (2) Compute compressed projector. (2) Use standard solver. (2) 16 eigenvectors found. (1) 480 eigenvectors found. (1) Block: 1800 / 1800 (1) 270 eigenvectors found. (1) Complementary block size: 106 (1) Compute compressed projector. (1) Use standard solver. (1) 76 eigenvectors found. --- Eigsh_solver_block: 3 / 6 --- Block_size: 1800 Use submatrix version of eigh solver. (1) Block: 500 / 1800 (2) Block: 250 / 500 (2) 221 eigenvectors found. (2) Block: 500 / 500 (2) 223 eigenvectors found. (2) Complementary block size: 56 (2) Compute compressed projector. (2) Use standard solver. (2) 27 eigenvectors found. (1) 471 eigenvectors found. (1) Block: 1000 / 1800 (2) Block: 250 / 500 (2) 225 eigenvectors found. (2) Block: 500 / 500 (2) 227 eigenvectors found. (2) Complementary block size: 48 (2) Compute compressed projector. (2) Use standard solver. (2) 23 eigenvectors found. (1) 475 eigenvectors found. (1) Block: 1500 / 1800 (2) Block: 250 / 500 (2) 231 eigenvectors found. (2) Block: 500 / 500 (2) 233 eigenvectors found. (2) Complementary block size: 36 (2) Compute compressed projector. (2) Use standard solver. (2) 17 eigenvectors found. (1) 481 eigenvectors found. (1) Block: 1800 / 1800 (1) 287 eigenvectors found. (1) Complementary block size: 86 (1) Compute compressed projector. (1) Use standard solver. (1) 57 eigenvectors found. --- Eigsh_solver_block: 4 / 6 --- Block_size: 960 Use submatrix version of eigh solver. (1) Block: 500 / 960 (2) Block: 250 / 500 (2) 235 eigenvectors found. (2) Block: 500 / 500 (2) 237 eigenvectors found. (2) Complementary block size: 28 (2) Compute compressed projector. (2) Use standard solver. (2) 13 eigenvectors found. (1) 485 eigenvectors found. (1) Block: 960 / 960 (1) 445 eigenvectors found. (1) Complementary block size: 30 (1) Compute compressed projector. (1) Use standard solver. (1) 15 eigenvectors found. --- Eigsh_solver_block: 5 / 6 --- Block_size: 960 Use submatrix version of eigh solver. (1) Block: 500 / 960 (2) Block: 250 / 500 (2) 235 eigenvectors found. (2) Block: 500 / 500 (2) 237 eigenvectors found. (2) Complementary block size: 28 (2) Compute compressed projector. (2) Use standard solver. (2) 13 eigenvectors found. (1) 485 eigenvectors found. (1) Block: 960 / 960 (1) 445 eigenvectors found. (1) Complementary block size: 30 (1) Compute compressed projector. (1) Use standard solver. (1) 15 eigenvectors found. --- Eigsh_solver_block: 6 / 6 --- Block_size: 960 Use submatrix version of eigh solver. (1) Block: 500 / 960 (2) Block: 250 / 500 (2) 235 eigenvectors found. (2) Block: 500 / 500 (2) 237 eigenvectors found. (2) Complementary block size: 28 (2) Compute compressed projector. (2) Use standard solver. (2) 13 eigenvectors found. (1) 485 eigenvectors found. (1) Block: 960 / 960 (1) 445 eigenvectors found. (1) Complementary block size: 30 (1) Compute compressed projector. (1) Use standard solver. (1) 15 eigenvectors found. Tree of FC basis block matrices: - (8280, 8146), data: False |-- (960, 945), data: False |-- (960, 15), data: (960, 30) @ (30, 15) |-- (460, 445), data: True |-- (500, 485), data: False |-- (500, 13), data: (500, 28) @ (28, 13) |-- (250, 237), data: True |-- (250, 235), data: True |-- (960, 945), data: False |-- (960, 15), data: (960, 30) @ (30, 15) |-- (460, 445), data: True |-- (500, 485), data: False |-- (500, 13), data: (500, 28) @ (28, 13) |-- (250, 237), data: True |-- (250, 235), data: True |-- (960, 945), data: False |-- (960, 15), data: (960, 30) @ (30, 15) |-- (460, 445), data: True |-- (500, 485), data: False |-- (500, 13), data: (500, 28) @ (28, 13) |-- (250, 237), data: True |-- (250, 235), data: True |-- (1800, 1771), data: False |-- (1800, 57), data: (1800, 86) @ (86, 57) |-- (300, 287), data: True |-- (500, 481), data: False |-- (500, 17), data: (500, 36) @ (36, 17) |-- (250, 233), data: True |-- (250, 231), data: True |-- (500, 475), data: False |-- (500, 23), data: (500, 48) @ (48, 23) |-- (250, 227), data: True |-- (250, 225), data: True |-- (500, 471), data: False |-- (500, 27), data: (500, 56) @ (56, 27) |-- (250, 223), data: True |-- (250, 221), data: True |-- (1800, 1770), data: False |-- (1800, 76), data: (1800, 106) @ (106, 76) |-- (300, 270), data: True |-- (500, 480), data: False |-- (500, 16), data: (500, 36) @ (36, 16) |-- (250, 234), data: True |-- (250, 230), data: True |-- (500, 474), data: False |-- (500, 24), data: (500, 50) @ (50, 24) |-- (250, 226), data: True |-- (250, 224), data: True |-- (500, 470), data: False |-- (500, 28), data: (500, 58) @ (58, 28) |-- (250, 222), data: True |-- (250, 220), data: True |-- (1800, 1770), data: False |-- (1800, 76), data: (1800, 106) @ (106, 76) |-- (300, 270), data: True |-- (500, 480), data: False |-- (500, 16), data: (500, 36) @ (36, 16) |-- (250, 234), data: True |-- (250, 230), data: True |-- (500, 474), data: False |-- (500, 24), data: (500, 50) @ (50, 24) |-- (250, 226), data: True |-- (250, 224), data: True |-- (500, 470), data: False |-- (500, 28), data: (500, 58) @ (58, 28) |-- (250, 222), data: True |-- (250, 220), data: True Max drift after symmetrization by symfc projector: 0.00000000 (zz) 0.00000000 (zz) Force constants are written into "force_constants.hdf5". ---------------------------------------------------------------------------- One of the following run modes may be specified for phonon calculations. - Mesh sampling (MESH, --mesh) - Q-points (QPOINTS, --qpoints) - Band structure (BAND, --band) - Animation (ANIME, --anime) - Modulation (MODULATION, --modulation) - Characters of Irreps (IRREPS, --irreps) - Create displacements (CREATE_DISPLACEMENTS, -d) ---------------------------------------------------------------------------- Summary of calculation was written in "phonopy.yaml". -------------------------[time 2026-01-08 01:07:54]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 01:07:55]------------------------- 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: 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 7.350730430005534 0.000000000000000 0.000000000000000 b 0.000000000000000 10.174949509999998 0.000000000000000 c -0.192867684419999 0.000000000000000 10.377748063342011 Atomic positions (fractional): 1 O 0.15587344993340 0.60840205944178 0.98488381633709 15.999 2 O 0.84412655006660 0.10840205944178 0.51511618366291 15.999 3 O 0.84412655006660 0.39159794055822 0.01511618366291 15.999 4 O 0.15587344993340 0.89159794055822 0.48488381633709 15.999 5 O 0.59624658623830 0.88978901665500 0.51169772540527 15.999 6 O 0.40375341376170 0.38978901665500 0.98830227459473 15.999 7 O 0.40375341376170 0.11021098334500 0.48830227459473 15.999 8 O 0.59624658623830 0.61021098334500 0.01169772540527 15.999 9 O 0.87866923953798 0.83211573402462 0.96129029349873 15.999 10 O 0.12133076046202 0.33211573402462 0.53870970650127 15.999 11 O 0.12133076046202 0.16788426597538 0.03870970650127 15.999 12 O 0.87866923953798 0.66788426597538 0.46129029349873 15.999 13 O 0.80427906317739 0.00139947469841 0.76338075958645 15.999 14 O 0.19572093682261 0.50139947469841 0.73661924041355 15.999 15 O 0.64121301089667 0.12194276332667 0.02864421734141 15.999 16 O 0.19572093682261 0.99860052530159 0.23661924041355 15.999 17 O 0.85482479985618 0.76624672550424 0.22543747375632 15.999 18 O 0.14517520014382 0.26624672550424 0.27456252624368 15.999 19 O 0.14517520014382 0.23375327449576 0.77456252624368 15.999 20 O 0.85482479985618 0.73375327449576 0.72543747375632 15.999 21 O 0.60515479698490 0.23582923851959 0.74500819122841 15.999 22 O 0.39484520301510 0.73582923851959 0.75499180877159 15.999 23 O 0.39484520301510 0.76417076148041 0.25499180877159 15.999 24 O 0.60515479698490 0.26417076148041 0.24500819122841 15.999 25 O 0.11631321329842 0.60544813849838 0.27237952623147 15.999 26 O 0.88368678670158 0.10544813849838 0.22762047376853 15.999 27 O 0.88368678670158 0.39455186150162 0.72762047376853 15.999 28 O 0.11631321329842 0.89455186150162 0.77237952623147 15.999 29 O 0.58468500526386 0.99378267893961 0.25274175092238 15.999 30 O 0.41531499473615 0.49378267893961 0.24725824907762 15.999 31 O 0.41531499473615 0.00621732106039 0.74725824907762 15.999 32 O 0.58468500526386 0.50621732106039 0.75274175092238 15.999 33 O 0.64121301089667 0.37805723667333 0.52864421734141 15.999 34 O 0.35878698910333 0.87805723667333 0.97135578265859 15.999 35 O 0.35878698910333 0.62194276332667 0.47135578265859 15.999 36 O 0.80427906317739 0.49860052530159 0.26338075958645 15.999 37 Si 0.90022783249474 0.86510104868805 0.81003579137374 28.085 38 Si 0.09977216750526 0.36510104868805 0.68996420862626 28.085 39 Si 0.09977216750526 0.13489895131195 0.18996420862626 28.085 40 Si 0.90022783249474 0.63489895131195 0.31003579137374 28.085 41 Si 0.33349714283726 0.87660489663392 0.81712497532114 28.085 42 Si 0.66650285716274 0.37660489663392 0.68287502467886 28.085 43 Si 0.66650285716274 0.12339510336608 0.18287502467886 28.085 44 Si 0.33349714283726 0.62339510336608 0.31712497532114 28.085 45 Ca 0.13569634050347 0.07838855004503 0.61233855097654 40.078 46 Ca 0.86430365949653 0.57838855004503 0.88766144902346 40.078 47 Ca 0.86430365949653 0.92161144995497 0.38766144902346 40.078 48 Ca 0.13569634050347 0.42161144995497 0.11233855097654 40.078 49 Ca 0.61794135770504 0.67428031298554 0.58975229871538 40.078 50 Ca 0.38205864229496 0.17428031298554 0.91024770128462 40.078 51 Ca 0.38205864229496 0.32571968701446 0.41024770128463 40.078 52 Ca 0.61794135770504 0.82571968701446 0.08975229871538 40.078 53 Ca 0.12639802758849 0.69702586937026 0.60057499775135 40.078 54 Ca 0.87360197241151 0.19702586937026 0.89942500224865 40.078 55 Ca 0.87360197241151 0.30297413062974 0.39942500224865 40.078 56 Ca 0.12639802758849 0.80297413062974 0.10057499775135 40.078 57 Zr 0.62257673246810 0.43425146456067 0.11453763011285 91.224 58 Zr 0.37742326753190 0.93425146456067 0.38546236988715 91.224 59 Zr 0.37742326753190 0.56574853543933 0.88546236988715 91.224 60 Zr 0.62257673246810 0.06574853543933 0.61453763011285 91.224 -------------------------------- supercell --------------------------------- Lattice vectors: a 14.701460860011068 0.000000000000000 0.000000000000000 b 0.000000000000000 10.174949509999998 0.000000000000000 c -0.192867684419999 0.000000000000000 10.377748063342011 Atomic positions (fractional): 1 O 0.07793672496670 0.60840205944178 0.98488381633709 15.999 > 1 2 O 0.57793672496670 0.60840205944178 0.98488381633709 15.999 > 1 3 O 0.42206327503330 0.10840205944178 0.51511618366291 15.999 > 3 4 O 0.92206327503330 0.10840205944178 0.51511618366291 15.999 > 3 5 O 0.42206327503330 0.39159794055822 0.01511618366291 15.999 > 5 6 O 0.92206327503330 0.39159794055822 0.01511618366291 15.999 > 5 7 O 0.07793672496670 0.89159794055822 0.48488381633709 15.999 > 7 8 O 0.57793672496670 0.89159794055822 0.48488381633709 15.999 > 7 9 O 0.29812329311915 0.88978901665500 0.51169772540527 15.999 > 9 10 O 0.79812329311915 0.88978901665500 0.51169772540527 15.999 > 9 11 O 0.20187670688085 0.38978901665500 0.98830227459473 15.999 > 11 12 O 0.70187670688085 0.38978901665500 0.98830227459473 15.999 > 11 13 O 0.20187670688085 0.11021098334500 0.48830227459473 15.999 > 13 14 O 0.70187670688085 0.11021098334500 0.48830227459473 15.999 > 13 15 O 0.29812329311915 0.61021098334500 0.01169772540527 15.999 > 15 16 O 0.79812329311915 0.61021098334500 0.01169772540527 15.999 > 15 17 O 0.43933461976899 0.83211573402462 0.96129029349873 15.999 > 17 18 O 0.93933461976899 0.83211573402462 0.96129029349873 15.999 > 17 19 O 0.06066538023101 0.33211573402462 0.53870970650127 15.999 > 19 20 O 0.56066538023101 0.33211573402462 0.53870970650127 15.999 > 19 21 O 0.06066538023101 0.16788426597538 0.03870970650127 15.999 > 21 22 O 0.56066538023101 0.16788426597538 0.03870970650127 15.999 > 21 23 O 0.43933461976899 0.66788426597538 0.46129029349873 15.999 > 23 24 O 0.93933461976899 0.66788426597538 0.46129029349873 15.999 > 23 25 O 0.40213953158870 0.00139947469841 0.76338075958645 15.999 > 25 26 O 0.90213953158870 0.00139947469841 0.76338075958645 15.999 > 25 27 O 0.09786046841130 0.50139947469841 0.73661924041355 15.999 > 27 28 O 0.59786046841130 0.50139947469841 0.73661924041355 15.999 > 27 29 O 0.32060650544834 0.12194276332667 0.02864421734141 15.999 > 29 30 O 0.82060650544834 0.12194276332667 0.02864421734141 15.999 > 29 31 O 0.09786046841130 0.99860052530159 0.23661924041355 15.999 > 31 32 O 0.59786046841130 0.99860052530159 0.23661924041355 15.999 > 31 33 O 0.42741239992809 0.76624672550424 0.22543747375632 15.999 > 33 34 O 0.92741239992809 0.76624672550424 0.22543747375632 15.999 > 33 35 O 0.07258760007191 0.26624672550424 0.27456252624368 15.999 > 35 36 O 0.57258760007191 0.26624672550424 0.27456252624368 15.999 > 35 37 O 0.07258760007191 0.23375327449576 0.77456252624368 15.999 > 37 38 O 0.57258760007191 0.23375327449576 0.77456252624368 15.999 > 37 39 O 0.42741239992809 0.73375327449576 0.72543747375632 15.999 > 39 40 O 0.92741239992809 0.73375327449576 0.72543747375632 15.999 > 39 41 O 0.30257739849245 0.23582923851959 0.74500819122841 15.999 > 41 42 O 0.80257739849245 0.23582923851959 0.74500819122841 15.999 > 41 43 O 0.19742260150755 0.73582923851959 0.75499180877159 15.999 > 43 44 O 0.69742260150755 0.73582923851959 0.75499180877159 15.999 > 43 45 O 0.19742260150755 0.76417076148041 0.25499180877159 15.999 > 45 46 O 0.69742260150755 0.76417076148041 0.25499180877159 15.999 > 45 47 O 0.30257739849245 0.26417076148041 0.24500819122841 15.999 > 47 48 O 0.80257739849245 0.26417076148041 0.24500819122841 15.999 > 47 49 O 0.05815660664921 0.60544813849838 0.27237952623147 15.999 > 49 50 O 0.55815660664921 0.60544813849838 0.27237952623147 15.999 > 49 51 O 0.44184339335079 0.10544813849838 0.22762047376853 15.999 > 51 52 O 0.94184339335079 0.10544813849838 0.22762047376853 15.999 > 51 53 O 0.44184339335079 0.39455186150162 0.72762047376853 15.999 > 53 54 O 0.94184339335079 0.39455186150162 0.72762047376853 15.999 > 53 55 O 0.05815660664921 0.89455186150162 0.77237952623147 15.999 > 55 56 O 0.55815660664921 0.89455186150162 0.77237952623147 15.999 > 55 57 O 0.29234250263193 0.99378267893961 0.25274175092238 15.999 > 57 58 O 0.79234250263193 0.99378267893961 0.25274175092238 15.999 > 57 59 O 0.20765749736807 0.49378267893961 0.24725824907762 15.999 > 59 60 O 0.70765749736807 0.49378267893961 0.24725824907762 15.999 > 59 61 O 0.20765749736807 0.00621732106039 0.74725824907762 15.999 > 61 62 O 0.70765749736807 0.00621732106039 0.74725824907762 15.999 > 61 63 O 0.29234250263193 0.50621732106039 0.75274175092238 15.999 > 63 64 O 0.79234250263193 0.50621732106039 0.75274175092238 15.999 > 63 65 O 0.32060650544834 0.37805723667333 0.52864421734141 15.999 > 65 66 O 0.82060650544834 0.37805723667333 0.52864421734141 15.999 > 65 67 O 0.17939349455166 0.87805723667333 0.97135578265859 15.999 > 67 68 O 0.67939349455166 0.87805723667333 0.97135578265859 15.999 > 67 69 O 0.17939349455166 0.62194276332667 0.47135578265859 15.999 > 69 70 O 0.67939349455166 0.62194276332667 0.47135578265859 15.999 > 69 71 O 0.40213953158870 0.49860052530159 0.26338075958645 15.999 > 71 72 O 0.90213953158870 0.49860052530159 0.26338075958645 15.999 > 71 73 Si 0.45011391624737 0.86510104868805 0.81003579137374 28.085 > 73 74 Si 0.95011391624737 0.86510104868805 0.81003579137374 28.085 > 73 75 Si 0.04988608375263 0.36510104868805 0.68996420862626 28.085 > 75 76 Si 0.54988608375263 0.36510104868805 0.68996420862626 28.085 > 75 77 Si 0.04988608375263 0.13489895131195 0.18996420862626 28.085 > 77 78 Si 0.54988608375263 0.13489895131195 0.18996420862626 28.085 > 77 79 Si 0.45011391624737 0.63489895131195 0.31003579137374 28.085 > 79 80 Si 0.95011391624737 0.63489895131195 0.31003579137374 28.085 > 79 81 Si 0.16674857141863 0.87660489663392 0.81712497532114 28.085 > 81 82 Si 0.66674857141863 0.87660489663392 0.81712497532114 28.085 > 81 83 Si 0.33325142858137 0.37660489663392 0.68287502467886 28.085 > 83 84 Si 0.83325142858137 0.37660489663392 0.68287502467886 28.085 > 83 85 Si 0.33325142858137 0.12339510336608 0.18287502467886 28.085 > 85 86 Si 0.83325142858137 0.12339510336608 0.18287502467886 28.085 > 85 87 Si 0.16674857141863 0.62339510336608 0.31712497532114 28.085 > 87 88 Si 0.66674857141863 0.62339510336608 0.31712497532114 28.085 > 87 89 Ca 0.06784817025173 0.07838855004503 0.61233855097654 40.078 > 89 90 Ca 0.56784817025173 0.07838855004503 0.61233855097654 40.078 > 89 91 Ca 0.43215182974827 0.57838855004503 0.88766144902346 40.078 > 91 92 Ca 0.93215182974827 0.57838855004503 0.88766144902346 40.078 > 91 93 Ca 0.43215182974827 0.92161144995497 0.38766144902346 40.078 > 93 94 Ca 0.93215182974827 0.92161144995497 0.38766144902346 40.078 > 93 95 Ca 0.06784817025173 0.42161144995497 0.11233855097654 40.078 > 95 96 Ca 0.56784817025173 0.42161144995497 0.11233855097654 40.078 > 95 97 Ca 0.30897067885252 0.67428031298554 0.58975229871538 40.078 > 97 98 Ca 0.80897067885252 0.67428031298554 0.58975229871538 40.078 > 97 99 Ca 0.19102932114748 0.17428031298554 0.91024770128462 40.078 > 99 100 Ca 0.69102932114748 0.17428031298554 0.91024770128462 40.078 > 99 101 Ca 0.19102932114748 0.32571968701446 0.41024770128463 40.078 > 101 102 Ca 0.69102932114748 0.32571968701446 0.41024770128463 40.078 > 101 103 Ca 0.30897067885252 0.82571968701446 0.08975229871538 40.078 > 103 104 Ca 0.80897067885252 0.82571968701446 0.08975229871538 40.078 > 103 105 Ca 0.06319901379425 0.69702586937026 0.60057499775135 40.078 > 105 106 Ca 0.56319901379425 0.69702586937026 0.60057499775135 40.078 > 105 107 Ca 0.43680098620575 0.19702586937026 0.89942500224865 40.078 > 107 108 Ca 0.93680098620575 0.19702586937026 0.89942500224865 40.078 > 107 109 Ca 0.43680098620575 0.30297413062974 0.39942500224865 40.078 > 109 110 Ca 0.93680098620575 0.30297413062974 0.39942500224865 40.078 > 109 111 Ca 0.06319901379425 0.80297413062974 0.10057499775135 40.078 > 111 112 Ca 0.56319901379425 0.80297413062974 0.10057499775135 40.078 > 111 113 Zr 0.31128836623405 0.43425146456067 0.11453763011285 91.224 > 113 114 Zr 0.81128836623405 0.43425146456067 0.11453763011285 91.224 > 113 115 Zr 0.18871163376595 0.93425146456067 0.38546236988715 91.224 > 115 116 Zr 0.68871163376595 0.93425146456067 0.38546236988715 91.224 > 115 117 Zr 0.18871163376595 0.56574853543933 0.88546236988715 91.224 > 117 118 Zr 0.68871163376595 0.56574853543933 0.88546236988715 91.224 > 117 119 Zr 0.31128836623405 0.06574853543933 0.61453763011285 91.224 > 119 120 Zr 0.81128836623405 0.06574853543933 0.61453763011285 91.224 > 119 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 3.4116822 0.0000000 0.0110781 0.0000000 3.3118747 0.0000000 0.0111261 0.0000000 3.3684185 -------------------------- Born effective charges -------------------------- 1 O -2.8814699 0.1948585 0.6246945 0.3930884 -1.9160153 -0.2887752 0.5581973 -0.0531578 -1.9600171 2 O -2.8814699 -0.1948585 0.6246945 -0.3930884 -1.9160153 0.2887752 0.5581973 0.0531578 -1.9600171 3 O -2.8814699 0.1948585 0.6246945 0.3930884 -1.9160153 -0.2887752 0.5581973 -0.0531578 -1.9600171 4 O -2.8814699 -0.1948585 0.6246945 -0.3930884 -1.9160153 0.2887752 0.5581973 0.0531578 -1.9600171 5 O -2.2220605 -0.0615749 -0.6452264 0.0109891 -2.3781087 -0.2812778 -0.5629154 -0.3368748 -2.1318580 6 O -2.2220605 0.0615749 -0.6452264 -0.0109891 -2.3781087 0.2812778 -0.5629154 0.3368748 -2.1318580 7 O -2.2220605 -0.0615749 -0.6452264 0.0109891 -2.3781087 -0.2812778 -0.5629154 -0.3368748 -2.1318580 8 O -2.2220605 0.0615749 -0.6452264 -0.0109891 -2.3781087 0.2812778 -0.5629154 0.3368748 -2.1318580 9 O -1.7787602 0.0689941 0.0597060 0.0273327 -1.5621430 0.1770953 0.0640397 0.2112286 -2.3653793 10 O -1.7787602 -0.0689941 0.0597060 -0.0273327 -1.5621430 -0.1770953 0.0640397 -0.2112286 -2.3653793 11 O -1.7787602 0.0689941 0.0597060 0.0273327 -1.5621430 0.1770953 0.0640397 0.2112286 -2.3653793 12 O -1.7787602 -0.0689941 0.0597060 -0.0273327 -1.5621430 -0.1770953 0.0640397 -0.2112286 -2.3653793 13 O -1.9689382 0.6440308 -0.7943212 0.4822347 -2.1541394 0.4456409 -0.7328415 0.4882353 -2.1136197 14 O -1.9689382 -0.6440308 -0.7943212 -0.4822347 -2.1541394 -0.4456409 -0.7328415 -0.4882353 -2.1136197 15 O -1.6235871 -0.0578106 -0.0894004 -0.0269035 -1.6457657 0.1451925 -0.0909350 0.2141255 -2.3196901 16 O -1.9689382 0.6440308 -0.7943212 0.4822347 -2.1541394 0.4456409 -0.7328415 0.4882353 -2.1136197 17 O -1.7712916 0.2052645 -0.1358517 0.1262471 -2.0317042 0.1200407 -0.0943426 0.0868831 -1.9372051 18 O -1.7712916 -0.2052645 -0.1358517 -0.1262471 -2.0317042 -0.1200407 -0.0943426 -0.0868831 -1.9372051 19 O -1.7712916 0.2052645 -0.1358517 0.1262471 -2.0317042 0.1200407 -0.0943426 0.0868831 -1.9372051 20 O -1.7712916 -0.2052645 -0.1358517 -0.1262471 -2.0317042 -0.1200407 -0.0943426 -0.0868831 -1.9372051 21 O -1.4553655 -0.2249280 0.0923766 -0.1593965 -2.6247217 -0.2748811 0.0847115 -0.3770257 -1.9837734 22 O -1.4553655 0.2249280 0.0923766 0.1593965 -2.6247217 0.2748811 0.0847115 0.3770257 -1.9837734 23 O -1.4553655 -0.2249280 0.0923766 -0.1593965 -2.6247217 -0.2748811 0.0847115 -0.3770257 -1.9837734 24 O -1.4553655 0.2249280 0.0923766 0.1593965 -2.6247217 0.2748811 0.0847115 0.3770257 -1.9837734 25 O -3.0094448 0.0640339 0.0263883 0.0147727 -1.4392460 -0.1932974 -0.0816959 -0.2243119 -1.4333352 26 O -3.0094448 -0.0640339 0.0263883 -0.0147727 -1.4392460 0.1932974 -0.0816959 0.2243119 -1.4333352 27 O -3.0094448 0.0640339 0.0263883 0.0147727 -1.4392460 -0.1932974 -0.0816959 -0.2243119 -1.4333352 28 O -3.0094448 -0.0640339 0.0263883 -0.0147727 -1.4392460 0.1932974 -0.0816959 0.2243119 -1.4333352 29 O -2.0970039 -0.5071745 0.6879185 -0.4268293 -2.0503285 0.4702448 0.6426989 0.5122828 -2.1486695 30 O -2.0970039 0.5071745 0.6879185 0.4268293 -2.0503285 -0.4702448 0.6426989 -0.5122828 -2.1486695 31 O -2.0970039 -0.5071745 0.6879185 -0.4268293 -2.0503285 0.4702448 0.6426989 0.5122828 -2.1486695 32 O -2.0970039 0.5071745 0.6879185 0.4268293 -2.0503285 -0.4702448 0.6426989 -0.5122828 -2.1486695 33 O -1.6235871 0.0578106 -0.0894004 0.0269035 -1.6457657 -0.1451925 -0.0909350 -0.2141255 -2.3196901 34 O -1.6235871 -0.0578106 -0.0894004 -0.0269035 -1.6457657 0.1451925 -0.0909350 0.2141255 -2.3196901 35 O -1.6235871 0.0578106 -0.0894004 0.0269035 -1.6457657 -0.1451925 -0.0909350 -0.2141255 -2.3196901 36 O -1.9689382 -0.6440308 -0.7943212 -0.4822347 -2.1541394 -0.4456409 -0.7328415 -0.4882353 -2.1136197 37 Si 3.1336449 -0.2713946 -0.0365076 -0.1836041 3.1705116 -0.2590655 0.0803162 -0.4966671 2.9907877 38 Si 3.1336449 0.2713946 -0.0365076 0.1836041 3.1705116 0.2590655 0.0803162 0.4966671 2.9907877 39 Si 3.1336449 -0.2713946 -0.0365076 -0.1836041 3.1705116 -0.2590655 0.0803162 -0.4966671 2.9907877 40 Si 3.1336449 0.2713946 -0.0365076 0.1836041 3.1705116 0.2590655 0.0803162 0.4966671 2.9907877 41 Si 2.9180992 0.1862490 0.0747423 0.0017130 3.3329064 -0.2408103 0.0776398 -0.6189491 3.0321535 42 Si 2.9180992 -0.1862490 0.0747423 -0.0017130 3.3329064 0.2408103 0.0776398 0.6189491 3.0321535 43 Si 2.9180992 0.1862490 0.0747423 0.0017130 3.3329064 -0.2408103 0.0776398 -0.6189491 3.0321535 44 Si 2.9180992 -0.1862490 0.0747423 -0.0017130 3.3329064 0.2408103 0.0776398 0.6189491 3.0321535 45 Ca 2.6303166 -0.3078676 -0.0590034 -0.1476365 2.3599787 0.1586767 -0.0430739 0.2535971 2.1575013 46 Ca 2.6303166 0.3078676 -0.0590034 0.1476365 2.3599787 -0.1586767 -0.0430739 -0.2535971 2.1575013 47 Ca 2.6303166 -0.3078676 -0.0590034 -0.1476365 2.3599787 0.1586767 -0.0430739 0.2535971 2.1575013 48 Ca 2.6303166 0.3078676 -0.0590034 0.1476365 2.3599787 -0.1586767 -0.0430739 -0.2535971 2.1575013 49 Ca 2.5262609 0.0624589 0.0260713 0.1040196 2.5161645 -0.2877134 -0.0015661 -0.1727910 2.5241296 50 Ca 2.5262609 -0.0624589 0.0260713 -0.1040196 2.5161645 0.2877134 -0.0015661 0.1727910 2.5241296 51 Ca 2.5262609 0.0624589 0.0260713 0.1040196 2.5161645 -0.2877134 -0.0015661 -0.1727910 2.5241296 52 Ca 2.5262609 -0.0624589 0.0260713 -0.1040196 2.5161645 0.2877134 -0.0015661 0.1727910 2.5241296 53 Ca 2.3983389 0.0381698 -0.0889600 -0.0955732 2.3062571 -0.2318627 0.0471884 -0.1779071 2.6786065 54 Ca 2.3983389 -0.0381698 -0.0889600 0.0955732 2.3062571 0.2318627 0.0471884 0.1779071 2.6786065 55 Ca 2.3983389 0.0381698 -0.0889600 -0.0955732 2.3062571 -0.2318627 0.0471884 -0.1779071 2.6786065 56 Ca 2.3983389 -0.0381698 -0.0889600 0.0955732 2.3062571 0.2318627 0.0471884 0.1779071 2.6786065 57 Zr 5.2012612 -0.4545692 0.2573732 -0.4611890 4.1163542 -0.1955704 0.0525786 -0.4405026 5.0103689 58 Zr 5.2012612 0.4545692 0.2573732 0.4611890 4.1163542 0.1955704 0.0525786 0.4405026 5.0103689 59 Zr 5.2012612 -0.4545692 0.2573732 -0.4611890 4.1163542 -0.1955704 0.0525786 -0.4405026 5.0103689 60 Zr 5.2012612 0.4545692 0.2573732 0.4611890 4.1163542 0.1955704 0.0525786 0.4405026 5.0103689 ---------------------------------------------------------------------------- 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] [-0.0002 0.0000 0.0100] [ 0.0002 0.0000 -0.0100] 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] [-0.0002 0.0000 0.0100] [ 0.0002 0.0000 -0.0100] Computing fc3[ 17, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0002 0.0000 0.0100] [ 0.0002 0.0000 -0.0100] Computing fc3[ 25, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0002 0.0000 0.0100] [ 0.0002 0.0000 -0.0100] Computing fc3[ 29, 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] [-0.0002 0.0000 0.0100] [ 0.0002 0.0000 -0.0100] 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] [-0.0002 0.0000 0.0100] [ 0.0002 0.0000 -0.0100] 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] [-0.0002 0.0000 0.0100] [ 0.0002 0.0000 -0.0100] Computing fc3[ 49, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0002 0.0000 0.0100] [ 0.0002 0.0000 -0.0100] 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] [-0.0002 0.0000 0.0100] [ 0.0002 0.0000 -0.0100] Computing fc3[ 73, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0002 0.0000 0.0100] [ 0.0002 0.0000 -0.0100] 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] [-0.0002 0.0000 0.0100] [ 0.0002 0.0000 -0.0100] Computing fc3[ 89, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0002 0.0000 0.0100] [ 0.0002 0.0000 -0.0100] Computing fc3[ 97, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0002 0.0000 0.0100] [ 0.0002 0.0000 -0.0100] 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] [-0.0002 0.0000 0.0100] [ 0.0002 0.0000 -0.0100] 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] [-0.0002 0.0000 0.0100] [ 0.0002 0.0000 -0.0100] Expanding fc3. Symmetrizing fc3 by traditional approach (N=3). Symmetrizing fc2 by traditional approach (N=3). Max drift of fc3: -0.00000000 (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 01:09:13]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 01:09:14]------------------------- 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 7.350730430005534 0.000000000000000 0.000000000000000 b 0.000000000000000 10.174949509999998 0.000000000000000 c -0.192867684419999 0.000000000000000 10.377748063342011 Atomic positions (fractional): 1 O 0.15587344993340 0.60840205944178 0.98488381633709 15.999 2 O 0.84412655006660 0.10840205944178 0.51511618366291 15.999 3 O 0.84412655006660 0.39159794055822 0.01511618366291 15.999 4 O 0.15587344993340 0.89159794055822 0.48488381633709 15.999 5 O 0.59624658623830 0.88978901665500 0.51169772540527 15.999 6 O 0.40375341376170 0.38978901665500 0.98830227459473 15.999 7 O 0.40375341376170 0.11021098334500 0.48830227459473 15.999 8 O 0.59624658623830 0.61021098334500 0.01169772540527 15.999 9 O 0.87866923953798 0.83211573402462 0.96129029349873 15.999 10 O 0.12133076046202 0.33211573402462 0.53870970650127 15.999 11 O 0.12133076046202 0.16788426597538 0.03870970650127 15.999 12 O 0.87866923953798 0.66788426597538 0.46129029349873 15.999 13 O 0.80427906317739 0.00139947469841 0.76338075958645 15.999 14 O 0.19572093682261 0.50139947469841 0.73661924041355 15.999 15 O 0.64121301089667 0.12194276332667 0.02864421734141 15.999 16 O 0.19572093682261 0.99860052530159 0.23661924041355 15.999 17 O 0.85482479985618 0.76624672550424 0.22543747375632 15.999 18 O 0.14517520014382 0.26624672550424 0.27456252624368 15.999 19 O 0.14517520014382 0.23375327449576 0.77456252624368 15.999 20 O 0.85482479985618 0.73375327449576 0.72543747375632 15.999 21 O 0.60515479698490 0.23582923851959 0.74500819122841 15.999 22 O 0.39484520301510 0.73582923851959 0.75499180877159 15.999 23 O 0.39484520301510 0.76417076148041 0.25499180877159 15.999 24 O 0.60515479698490 0.26417076148041 0.24500819122841 15.999 25 O 0.11631321329842 0.60544813849838 0.27237952623147 15.999 26 O 0.88368678670158 0.10544813849838 0.22762047376853 15.999 27 O 0.88368678670158 0.39455186150162 0.72762047376853 15.999 28 O 0.11631321329842 0.89455186150162 0.77237952623147 15.999 29 O 0.58468500526386 0.99378267893961 0.25274175092238 15.999 30 O 0.41531499473615 0.49378267893961 0.24725824907762 15.999 31 O 0.41531499473615 0.00621732106039 0.74725824907762 15.999 32 O 0.58468500526386 0.50621732106039 0.75274175092238 15.999 33 O 0.64121301089667 0.37805723667333 0.52864421734141 15.999 34 O 0.35878698910333 0.87805723667333 0.97135578265859 15.999 35 O 0.35878698910333 0.62194276332667 0.47135578265859 15.999 36 O 0.80427906317739 0.49860052530159 0.26338075958645 15.999 37 Si 0.90022783249474 0.86510104868805 0.81003579137374 28.085 38 Si 0.09977216750526 0.36510104868805 0.68996420862626 28.085 39 Si 0.09977216750526 0.13489895131195 0.18996420862626 28.085 40 Si 0.90022783249474 0.63489895131195 0.31003579137374 28.085 41 Si 0.33349714283726 0.87660489663392 0.81712497532114 28.085 42 Si 0.66650285716274 0.37660489663392 0.68287502467886 28.085 43 Si 0.66650285716274 0.12339510336608 0.18287502467886 28.085 44 Si 0.33349714283726 0.62339510336608 0.31712497532114 28.085 45 Ca 0.13569634050347 0.07838855004503 0.61233855097654 40.078 46 Ca 0.86430365949653 0.57838855004503 0.88766144902346 40.078 47 Ca 0.86430365949653 0.92161144995497 0.38766144902346 40.078 48 Ca 0.13569634050347 0.42161144995497 0.11233855097654 40.078 49 Ca 0.61794135770504 0.67428031298554 0.58975229871538 40.078 50 Ca 0.38205864229496 0.17428031298554 0.91024770128462 40.078 51 Ca 0.38205864229496 0.32571968701446 0.41024770128463 40.078 52 Ca 0.61794135770504 0.82571968701446 0.08975229871538 40.078 53 Ca 0.12639802758849 0.69702586937026 0.60057499775135 40.078 54 Ca 0.87360197241151 0.19702586937026 0.89942500224865 40.078 55 Ca 0.87360197241151 0.30297413062974 0.39942500224865 40.078 56 Ca 0.12639802758849 0.80297413062974 0.10057499775135 40.078 57 Zr 0.62257673246810 0.43425146456067 0.11453763011285 91.224 58 Zr 0.37742326753190 0.93425146456067 0.38546236988715 91.224 59 Zr 0.37742326753190 0.56574853543933 0.88546236988715 91.224 60 Zr 0.62257673246810 0.06574853543933 0.61453763011285 91.224 -------------------------------- supercell --------------------------------- Lattice vectors: a 14.701460860011068 0.000000000000000 0.000000000000000 b 0.000000000000000 10.174949509999998 0.000000000000000 c -0.192867684419999 0.000000000000000 10.377748063342011 Atomic positions (fractional): 1 O 0.07793672496670 0.60840205944178 0.98488381633709 15.999 > 1 2 O 0.57793672496670 0.60840205944178 0.98488381633709 15.999 > 1 3 O 0.42206327503330 0.10840205944178 0.51511618366291 15.999 > 3 4 O 0.92206327503330 0.10840205944178 0.51511618366291 15.999 > 3 5 O 0.42206327503330 0.39159794055822 0.01511618366291 15.999 > 5 6 O 0.92206327503330 0.39159794055822 0.01511618366291 15.999 > 5 7 O 0.07793672496670 0.89159794055822 0.48488381633709 15.999 > 7 8 O 0.57793672496670 0.89159794055822 0.48488381633709 15.999 > 7 9 O 0.29812329311915 0.88978901665500 0.51169772540527 15.999 > 9 10 O 0.79812329311915 0.88978901665500 0.51169772540527 15.999 > 9 11 O 0.20187670688085 0.38978901665500 0.98830227459473 15.999 > 11 12 O 0.70187670688085 0.38978901665500 0.98830227459473 15.999 > 11 13 O 0.20187670688085 0.11021098334500 0.48830227459473 15.999 > 13 14 O 0.70187670688085 0.11021098334500 0.48830227459473 15.999 > 13 15 O 0.29812329311915 0.61021098334500 0.01169772540527 15.999 > 15 16 O 0.79812329311915 0.61021098334500 0.01169772540527 15.999 > 15 17 O 0.43933461976899 0.83211573402462 0.96129029349873 15.999 > 17 18 O 0.93933461976899 0.83211573402462 0.96129029349873 15.999 > 17 19 O 0.06066538023101 0.33211573402462 0.53870970650127 15.999 > 19 20 O 0.56066538023101 0.33211573402462 0.53870970650127 15.999 > 19 21 O 0.06066538023101 0.16788426597538 0.03870970650127 15.999 > 21 22 O 0.56066538023101 0.16788426597538 0.03870970650127 15.999 > 21 23 O 0.43933461976899 0.66788426597538 0.46129029349873 15.999 > 23 24 O 0.93933461976899 0.66788426597538 0.46129029349873 15.999 > 23 25 O 0.40213953158870 0.00139947469841 0.76338075958645 15.999 > 25 26 O 0.90213953158870 0.00139947469841 0.76338075958645 15.999 > 25 27 O 0.09786046841130 0.50139947469841 0.73661924041355 15.999 > 27 28 O 0.59786046841130 0.50139947469841 0.73661924041355 15.999 > 27 29 O 0.32060650544834 0.12194276332667 0.02864421734141 15.999 > 29 30 O 0.82060650544834 0.12194276332667 0.02864421734141 15.999 > 29 31 O 0.09786046841130 0.99860052530159 0.23661924041355 15.999 > 31 32 O 0.59786046841130 0.99860052530159 0.23661924041355 15.999 > 31 33 O 0.42741239992809 0.76624672550424 0.22543747375632 15.999 > 33 34 O 0.92741239992809 0.76624672550424 0.22543747375632 15.999 > 33 35 O 0.07258760007191 0.26624672550424 0.27456252624368 15.999 > 35 36 O 0.57258760007191 0.26624672550424 0.27456252624368 15.999 > 35 37 O 0.07258760007191 0.23375327449576 0.77456252624368 15.999 > 37 38 O 0.57258760007191 0.23375327449576 0.77456252624368 15.999 > 37 39 O 0.42741239992809 0.73375327449576 0.72543747375632 15.999 > 39 40 O 0.92741239992809 0.73375327449576 0.72543747375632 15.999 > 39 41 O 0.30257739849245 0.23582923851959 0.74500819122841 15.999 > 41 42 O 0.80257739849245 0.23582923851959 0.74500819122841 15.999 > 41 43 O 0.19742260150755 0.73582923851959 0.75499180877159 15.999 > 43 44 O 0.69742260150755 0.73582923851959 0.75499180877159 15.999 > 43 45 O 0.19742260150755 0.76417076148041 0.25499180877159 15.999 > 45 46 O 0.69742260150755 0.76417076148041 0.25499180877159 15.999 > 45 47 O 0.30257739849245 0.26417076148041 0.24500819122841 15.999 > 47 48 O 0.80257739849245 0.26417076148041 0.24500819122841 15.999 > 47 49 O 0.05815660664921 0.60544813849838 0.27237952623147 15.999 > 49 50 O 0.55815660664921 0.60544813849838 0.27237952623147 15.999 > 49 51 O 0.44184339335079 0.10544813849838 0.22762047376853 15.999 > 51 52 O 0.94184339335079 0.10544813849838 0.22762047376853 15.999 > 51 53 O 0.44184339335079 0.39455186150162 0.72762047376853 15.999 > 53 54 O 0.94184339335079 0.39455186150162 0.72762047376853 15.999 > 53 55 O 0.05815660664921 0.89455186150162 0.77237952623147 15.999 > 55 56 O 0.55815660664921 0.89455186150162 0.77237952623147 15.999 > 55 57 O 0.29234250263193 0.99378267893961 0.25274175092238 15.999 > 57 58 O 0.79234250263193 0.99378267893961 0.25274175092238 15.999 > 57 59 O 0.20765749736807 0.49378267893961 0.24725824907762 15.999 > 59 60 O 0.70765749736807 0.49378267893961 0.24725824907762 15.999 > 59 61 O 0.20765749736807 0.00621732106039 0.74725824907762 15.999 > 61 62 O 0.70765749736807 0.00621732106039 0.74725824907762 15.999 > 61 63 O 0.29234250263193 0.50621732106039 0.75274175092238 15.999 > 63 64 O 0.79234250263193 0.50621732106039 0.75274175092238 15.999 > 63 65 O 0.32060650544834 0.37805723667333 0.52864421734141 15.999 > 65 66 O 0.82060650544834 0.37805723667333 0.52864421734141 15.999 > 65 67 O 0.17939349455166 0.87805723667333 0.97135578265859 15.999 > 67 68 O 0.67939349455166 0.87805723667333 0.97135578265859 15.999 > 67 69 O 0.17939349455166 0.62194276332667 0.47135578265859 15.999 > 69 70 O 0.67939349455166 0.62194276332667 0.47135578265859 15.999 > 69 71 O 0.40213953158870 0.49860052530159 0.26338075958645 15.999 > 71 72 O 0.90213953158870 0.49860052530159 0.26338075958645 15.999 > 71 73 Si 0.45011391624737 0.86510104868805 0.81003579137374 28.085 > 73 74 Si 0.95011391624737 0.86510104868805 0.81003579137374 28.085 > 73 75 Si 0.04988608375263 0.36510104868805 0.68996420862626 28.085 > 75 76 Si 0.54988608375263 0.36510104868805 0.68996420862626 28.085 > 75 77 Si 0.04988608375263 0.13489895131195 0.18996420862626 28.085 > 77 78 Si 0.54988608375263 0.13489895131195 0.18996420862626 28.085 > 77 79 Si 0.45011391624737 0.63489895131195 0.31003579137374 28.085 > 79 80 Si 0.95011391624737 0.63489895131195 0.31003579137374 28.085 > 79 81 Si 0.16674857141863 0.87660489663392 0.81712497532114 28.085 > 81 82 Si 0.66674857141863 0.87660489663392 0.81712497532114 28.085 > 81 83 Si 0.33325142858137 0.37660489663392 0.68287502467886 28.085 > 83 84 Si 0.83325142858137 0.37660489663392 0.68287502467886 28.085 > 83 85 Si 0.33325142858137 0.12339510336608 0.18287502467886 28.085 > 85 86 Si 0.83325142858137 0.12339510336608 0.18287502467886 28.085 > 85 87 Si 0.16674857141863 0.62339510336608 0.31712497532114 28.085 > 87 88 Si 0.66674857141863 0.62339510336608 0.31712497532114 28.085 > 87 89 Ca 0.06784817025173 0.07838855004503 0.61233855097654 40.078 > 89 90 Ca 0.56784817025173 0.07838855004503 0.61233855097654 40.078 > 89 91 Ca 0.43215182974827 0.57838855004503 0.88766144902346 40.078 > 91 92 Ca 0.93215182974827 0.57838855004503 0.88766144902346 40.078 > 91 93 Ca 0.43215182974827 0.92161144995497 0.38766144902346 40.078 > 93 94 Ca 0.93215182974827 0.92161144995497 0.38766144902346 40.078 > 93 95 Ca 0.06784817025173 0.42161144995497 0.11233855097654 40.078 > 95 96 Ca 0.56784817025173 0.42161144995497 0.11233855097654 40.078 > 95 97 Ca 0.30897067885252 0.67428031298554 0.58975229871538 40.078 > 97 98 Ca 0.80897067885252 0.67428031298554 0.58975229871538 40.078 > 97 99 Ca 0.19102932114748 0.17428031298554 0.91024770128462 40.078 > 99 100 Ca 0.69102932114748 0.17428031298554 0.91024770128462 40.078 > 99 101 Ca 0.19102932114748 0.32571968701446 0.41024770128463 40.078 > 101 102 Ca 0.69102932114748 0.32571968701446 0.41024770128463 40.078 > 101 103 Ca 0.30897067885252 0.82571968701446 0.08975229871538 40.078 > 103 104 Ca 0.80897067885252 0.82571968701446 0.08975229871538 40.078 > 103 105 Ca 0.06319901379425 0.69702586937026 0.60057499775135 40.078 > 105 106 Ca 0.56319901379425 0.69702586937026 0.60057499775135 40.078 > 105 107 Ca 0.43680098620575 0.19702586937026 0.89942500224865 40.078 > 107 108 Ca 0.93680098620575 0.19702586937026 0.89942500224865 40.078 > 107 109 Ca 0.43680098620575 0.30297413062974 0.39942500224865 40.078 > 109 110 Ca 0.93680098620575 0.30297413062974 0.39942500224865 40.078 > 109 111 Ca 0.06319901379425 0.80297413062974 0.10057499775135 40.078 > 111 112 Ca 0.56319901379425 0.80297413062974 0.10057499775135 40.078 > 111 113 Zr 0.31128836623405 0.43425146456067 0.11453763011285 91.224 > 113 114 Zr 0.81128836623405 0.43425146456067 0.11453763011285 91.224 > 113 115 Zr 0.18871163376595 0.93425146456067 0.38546236988715 91.224 > 115 116 Zr 0.68871163376595 0.93425146456067 0.38546236988715 91.224 > 115 117 Zr 0.18871163376595 0.56574853543933 0.88546236988715 91.224 > 117 118 Zr 0.68871163376595 0.56574853543933 0.88546236988715 91.224 > 117 119 Zr 0.31128836623405 0.06574853543933 0.61453763011285 91.224 > 119 120 Zr 0.81128836623405 0.06574853543933 0.61453763011285 91.224 > 119 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 3.4116822 0.0000000 0.0110781 0.0000000 3.3118747 0.0000000 0.0111261 0.0000000 3.3684185 -------------------------- Born effective charges -------------------------- 1 O -2.8814699 0.1948585 0.6246945 0.3930884 -1.9160153 -0.2887752 0.5581973 -0.0531578 -1.9600171 2 O -2.8814699 -0.1948585 0.6246945 -0.3930884 -1.9160153 0.2887752 0.5581973 0.0531578 -1.9600171 3 O -2.8814699 0.1948585 0.6246945 0.3930884 -1.9160153 -0.2887752 0.5581973 -0.0531578 -1.9600171 4 O -2.8814699 -0.1948585 0.6246945 -0.3930884 -1.9160153 0.2887752 0.5581973 0.0531578 -1.9600171 5 O -2.2220605 -0.0615749 -0.6452264 0.0109891 -2.3781087 -0.2812778 -0.5629154 -0.3368748 -2.1318580 6 O -2.2220605 0.0615749 -0.6452264 -0.0109891 -2.3781087 0.2812778 -0.5629154 0.3368748 -2.1318580 7 O -2.2220605 -0.0615749 -0.6452264 0.0109891 -2.3781087 -0.2812778 -0.5629154 -0.3368748 -2.1318580 8 O -2.2220605 0.0615749 -0.6452264 -0.0109891 -2.3781087 0.2812778 -0.5629154 0.3368748 -2.1318580 9 O -1.7787602 0.0689941 0.0597060 0.0273327 -1.5621430 0.1770953 0.0640397 0.2112286 -2.3653793 10 O -1.7787602 -0.0689941 0.0597060 -0.0273327 -1.5621430 -0.1770953 0.0640397 -0.2112286 -2.3653793 11 O -1.7787602 0.0689941 0.0597060 0.0273327 -1.5621430 0.1770953 0.0640397 0.2112286 -2.3653793 12 O -1.7787602 -0.0689941 0.0597060 -0.0273327 -1.5621430 -0.1770953 0.0640397 -0.2112286 -2.3653793 13 O -1.9689382 0.6440308 -0.7943212 0.4822347 -2.1541394 0.4456409 -0.7328415 0.4882353 -2.1136197 14 O -1.9689382 -0.6440308 -0.7943212 -0.4822347 -2.1541394 -0.4456409 -0.7328415 -0.4882353 -2.1136197 15 O -1.6235871 -0.0578106 -0.0894004 -0.0269035 -1.6457657 0.1451925 -0.0909350 0.2141255 -2.3196901 16 O -1.9689382 0.6440308 -0.7943212 0.4822347 -2.1541394 0.4456409 -0.7328415 0.4882353 -2.1136197 17 O -1.7712916 0.2052645 -0.1358517 0.1262471 -2.0317042 0.1200407 -0.0943426 0.0868831 -1.9372051 18 O -1.7712916 -0.2052645 -0.1358517 -0.1262471 -2.0317042 -0.1200407 -0.0943426 -0.0868831 -1.9372051 19 O -1.7712916 0.2052645 -0.1358517 0.1262471 -2.0317042 0.1200407 -0.0943426 0.0868831 -1.9372051 20 O -1.7712916 -0.2052645 -0.1358517 -0.1262471 -2.0317042 -0.1200407 -0.0943426 -0.0868831 -1.9372051 21 O -1.4553655 -0.2249280 0.0923766 -0.1593965 -2.6247217 -0.2748811 0.0847115 -0.3770257 -1.9837734 22 O -1.4553655 0.2249280 0.0923766 0.1593965 -2.6247217 0.2748811 0.0847115 0.3770257 -1.9837734 23 O -1.4553655 -0.2249280 0.0923766 -0.1593965 -2.6247217 -0.2748811 0.0847115 -0.3770257 -1.9837734 24 O -1.4553655 0.2249280 0.0923766 0.1593965 -2.6247217 0.2748811 0.0847115 0.3770257 -1.9837734 25 O -3.0094448 0.0640339 0.0263883 0.0147727 -1.4392460 -0.1932974 -0.0816959 -0.2243119 -1.4333352 26 O -3.0094448 -0.0640339 0.0263883 -0.0147727 -1.4392460 0.1932974 -0.0816959 0.2243119 -1.4333352 27 O -3.0094448 0.0640339 0.0263883 0.0147727 -1.4392460 -0.1932974 -0.0816959 -0.2243119 -1.4333352 28 O -3.0094448 -0.0640339 0.0263883 -0.0147727 -1.4392460 0.1932974 -0.0816959 0.2243119 -1.4333352 29 O -2.0970039 -0.5071745 0.6879185 -0.4268293 -2.0503285 0.4702448 0.6426989 0.5122828 -2.1486695 30 O -2.0970039 0.5071745 0.6879185 0.4268293 -2.0503285 -0.4702448 0.6426989 -0.5122828 -2.1486695 31 O -2.0970039 -0.5071745 0.6879185 -0.4268293 -2.0503285 0.4702448 0.6426989 0.5122828 -2.1486695 32 O -2.0970039 0.5071745 0.6879185 0.4268293 -2.0503285 -0.4702448 0.6426989 -0.5122828 -2.1486695 33 O -1.6235871 0.0578106 -0.0894004 0.0269035 -1.6457657 -0.1451925 -0.0909350 -0.2141255 -2.3196901 34 O -1.6235871 -0.0578106 -0.0894004 -0.0269035 -1.6457657 0.1451925 -0.0909350 0.2141255 -2.3196901 35 O -1.6235871 0.0578106 -0.0894004 0.0269035 -1.6457657 -0.1451925 -0.0909350 -0.2141255 -2.3196901 36 O -1.9689382 -0.6440308 -0.7943212 -0.4822347 -2.1541394 -0.4456409 -0.7328415 -0.4882353 -2.1136197 37 Si 3.1336449 -0.2713946 -0.0365076 -0.1836041 3.1705116 -0.2590655 0.0803162 -0.4966671 2.9907877 38 Si 3.1336449 0.2713946 -0.0365076 0.1836041 3.1705116 0.2590655 0.0803162 0.4966671 2.9907877 39 Si 3.1336449 -0.2713946 -0.0365076 -0.1836041 3.1705116 -0.2590655 0.0803162 -0.4966671 2.9907877 40 Si 3.1336449 0.2713946 -0.0365076 0.1836041 3.1705116 0.2590655 0.0803162 0.4966671 2.9907877 41 Si 2.9180992 0.1862490 0.0747423 0.0017130 3.3329064 -0.2408103 0.0776398 -0.6189491 3.0321535 42 Si 2.9180992 -0.1862490 0.0747423 -0.0017130 3.3329064 0.2408103 0.0776398 0.6189491 3.0321535 43 Si 2.9180992 0.1862490 0.0747423 0.0017130 3.3329064 -0.2408103 0.0776398 -0.6189491 3.0321535 44 Si 2.9180992 -0.1862490 0.0747423 -0.0017130 3.3329064 0.2408103 0.0776398 0.6189491 3.0321535 45 Ca 2.6303166 -0.3078676 -0.0590034 -0.1476365 2.3599787 0.1586767 -0.0430739 0.2535971 2.1575013 46 Ca 2.6303166 0.3078676 -0.0590034 0.1476365 2.3599787 -0.1586767 -0.0430739 -0.2535971 2.1575013 47 Ca 2.6303166 -0.3078676 -0.0590034 -0.1476365 2.3599787 0.1586767 -0.0430739 0.2535971 2.1575013 48 Ca 2.6303166 0.3078676 -0.0590034 0.1476365 2.3599787 -0.1586767 -0.0430739 -0.2535971 2.1575013 49 Ca 2.5262609 0.0624589 0.0260713 0.1040196 2.5161645 -0.2877134 -0.0015661 -0.1727910 2.5241296 50 Ca 2.5262609 -0.0624589 0.0260713 -0.1040196 2.5161645 0.2877134 -0.0015661 0.1727910 2.5241296 51 Ca 2.5262609 0.0624589 0.0260713 0.1040196 2.5161645 -0.2877134 -0.0015661 -0.1727910 2.5241296 52 Ca 2.5262609 -0.0624589 0.0260713 -0.1040196 2.5161645 0.2877134 -0.0015661 0.1727910 2.5241296 53 Ca 2.3983389 0.0381698 -0.0889600 -0.0955732 2.3062571 -0.2318627 0.0471884 -0.1779071 2.6786065 54 Ca 2.3983389 -0.0381698 -0.0889600 0.0955732 2.3062571 0.2318627 0.0471884 0.1779071 2.6786065 55 Ca 2.3983389 0.0381698 -0.0889600 -0.0955732 2.3062571 -0.2318627 0.0471884 -0.1779071 2.6786065 56 Ca 2.3983389 -0.0381698 -0.0889600 0.0955732 2.3062571 0.2318627 0.0471884 0.1779071 2.6786065 57 Zr 5.2012612 -0.4545692 0.2573732 -0.4611890 4.1163542 -0.1955704 0.0525786 -0.4405026 5.0103689 58 Zr 5.2012612 0.4545692 0.2573732 0.4611890 4.1163542 0.1955704 0.0525786 0.4405026 5.0103689 59 Zr 5.2012612 -0.4545692 0.2573732 -0.4611890 4.1163542 -0.1955704 0.0525786 -0.4405026 5.0103689 60 Zr 5.2012612 0.4545692 0.2573732 0.4611890 4.1163542 0.1955704 0.0525786 0.4405026 5.0103689 ---------------------------------------------------------------------------- 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 (zz) 0.00000000 (zz) --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperature: 0.0 10.0 20.0 30.0 40.0 ... 1000.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 Length for sampling mesh generation: 50.00 Generating grid system ... [ 7 5 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: 0.45, Number of G-points: 305, Lambda: 0.09 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/54) ======================= 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 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 Number of triplets: 54 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 2.334 ( 0.000 0.000 0.000) 0.000 2.380 ( 0.000 0.000 0.000) 0.000 2.396 ( 0.000 0.000 0.000) 0.000 2.515 ( 0.000 0.000 0.000) 0.000 2.663 ( 0.000 0.000 0.000) 0.000 2.689 ( 0.000 0.000 0.000) 0.000 2.744 ( 0.000 0.000 0.000) 0.000 2.863 ( 0.000 0.000 0.000) 0.000 3.040 ( 0.000 0.000 0.000) 0.000 3.117 ( 0.000 0.000 0.000) 0.000 3.506 ( 0.000 0.000 0.000) 0.000 3.538 ( 0.000 0.000 0.000) 0.000 3.604 ( 0.000 0.000 0.000) 0.000 3.639 ( 0.000 0.000 0.000) 0.000 3.721 ( 0.000 0.000 0.000) 0.000 3.745 ( 0.000 0.000 0.000) 0.000 3.785 ( 0.000 0.000 0.000) 0.000 4.013 ( 0.000 0.000 0.000) 0.000 4.078 ( 0.000 0.000 0.000) 0.000 4.115 ( 0.000 0.000 0.000) 0.000 4.126 ( 0.000 0.000 0.000) 0.000 4.158 ( 0.000 0.000 0.000) 0.000 4.296 ( 0.000 0.000 0.000) 0.000 4.298 ( 0.000 0.000 0.000) 0.000 4.332 ( 0.000 0.000 0.000) 0.000 4.471 ( 0.000 0.000 0.000) 0.000 4.526 ( 0.000 0.000 0.000) 0.000 4.768 ( 0.000 0.000 0.000) 0.000 4.822 ( 0.000 0.000 0.000) 0.000 4.926 ( 0.000 0.000 0.000) 0.000 4.960 ( 0.000 0.000 0.000) 0.000 5.034 ( 0.000 0.000 0.000) 0.000 5.130 ( 0.000 0.000 0.000) 0.000 5.142 ( 0.000 0.000 0.000) 0.000 5.152 ( 0.000 0.000 0.000) 0.000 5.206 ( 0.000 0.000 0.000) 0.000 5.219 ( 0.000 0.000 0.000) 0.000 5.413 ( 0.000 0.000 0.000) 0.000 5.586 ( 0.000 0.000 0.000) 0.000 5.590 ( 0.000 0.000 0.000) 0.000 5.755 ( 0.000 0.000 0.000) 0.000 5.824 ( 0.000 0.000 0.000) 0.000 5.836 ( 0.000 0.000 0.000) 0.000 5.839 ( 0.000 0.000 0.000) 0.000 5.925 ( 0.000 0.000 0.000) 0.000 6.160 ( 0.000 0.000 0.000) 0.000 6.171 ( 0.000 0.000 0.000) 0.000 6.232 ( 0.000 0.000 0.000) 0.000 6.310 ( 0.000 0.000 0.000) 0.000 6.701 ( 0.000 0.000 0.000) 0.000 6.705 ( 0.000 0.000 0.000) 0.000 6.824 ( 0.000 0.000 0.000) 0.000 6.835 ( 0.000 0.000 0.000) 0.000 6.894 ( 0.000 0.000 0.000) 0.000 6.937 ( 0.000 0.000 0.000) 0.000 6.985 ( 0.000 0.000 0.000) 0.000 7.122 ( 0.000 0.000 0.000) 0.000 7.283 ( 0.000 0.000 0.000) 0.000 7.374 ( 0.000 0.000 0.000) 0.000 7.383 ( 0.000 0.000 0.000) 0.000 7.409 ( 0.000 0.000 0.000) 0.000 7.570 ( 0.000 0.000 0.000) 0.000 7.642 ( 0.000 0.000 0.000) 0.000 7.663 ( 0.000 0.000 0.000) 0.000 7.806 ( 0.000 0.000 0.000) 0.000 7.807 ( 0.000 0.000 0.000) 0.000 7.992 ( 0.000 0.000 0.000) 0.000 8.024 ( 0.000 0.000 0.000) 0.000 8.100 ( 0.000 0.000 0.000) 0.000 8.155 ( 0.000 0.000 0.000) 0.000 8.195 ( 0.000 0.000 0.000) 0.000 8.323 ( 0.000 0.000 0.000) 0.000 8.420 ( 0.000 0.000 0.000) 0.000 8.520 ( 0.000 0.000 0.000) 0.000 8.573 ( 0.000 0.000 0.000) 0.000 8.580 ( 0.000 0.000 0.000) 0.000 8.697 ( 0.000 0.000 0.000) 0.000 8.707 ( 0.000 0.000 0.000) 0.000 8.829 ( 0.000 0.000 0.000) 0.000 8.850 ( 0.000 0.000 0.000) 0.000 9.116 ( 0.000 0.000 0.000) 0.000 9.331 ( 0.000 0.000 0.000) 0.000 9.345 ( 0.000 0.000 0.000) 0.000 9.394 ( 0.000 0.000 0.000) 0.000 9.522 ( 0.000 0.000 0.000) 0.000 9.549 ( 0.000 0.000 0.000) 0.000 9.679 ( 0.000 0.000 0.000) 0.000 9.910 ( 0.000 0.000 0.000) 0.000 9.964 ( 0.000 0.000 0.000) 0.000 9.972 ( 0.000 0.000 0.000) 0.000 10.077 ( 0.000 0.000 0.000) 0.000 10.285 ( 0.000 0.000 0.000) 0.000 10.295 ( 0.000 0.000 0.000) 0.000 10.385 ( 0.000 0.000 0.000) 0.000 10.483 ( 0.000 0.000 0.000) 0.000 10.556 ( 0.000 0.000 0.000) 0.000 10.588 ( 0.000 0.000 0.000) 0.000 10.893 ( 0.000 0.000 0.000) 0.000 10.910 ( 0.000 0.000 0.000) 0.000 11.011 ( 0.000 0.000 0.000) 0.000 11.028 ( 0.000 0.000 0.000) 0.000 11.218 ( 0.000 0.000 0.000) 0.000 11.565 ( 0.000 0.000 0.000) 0.000 11.692 ( 0.000 0.000 0.000) 0.000 11.707 ( 0.000 0.000 0.000) 0.000 11.742 ( 0.000 0.000 0.000) 0.000 11.753 ( 0.000 0.000 0.000) 0.000 11.923 ( 0.000 0.000 0.000) 0.000 12.142 ( 0.000 0.000 0.000) 0.000 12.415 ( 0.000 0.000 0.000) 0.000 12.535 ( 0.000 0.000 0.000) 0.000 12.654 ( 0.000 0.000 0.000) 0.000 12.790 ( 0.000 0.000 0.000) 0.000 12.818 ( 0.000 0.000 0.000) 0.000 13.070 ( 0.000 0.000 0.000) 0.000 13.093 ( 0.000 0.000 0.000) 0.000 13.183 ( 0.000 0.000 0.000) 0.000 13.323 ( 0.000 0.000 0.000) 0.000 13.657 ( 0.000 0.000 0.000) 0.000 13.854 ( 0.000 0.000 0.000) 0.000 13.906 ( 0.000 0.000 0.000) 0.000 14.017 ( 0.000 0.000 0.000) 0.000 14.092 ( 0.000 0.000 0.000) 0.000 14.187 ( 0.000 0.000 0.000) 0.000 14.403 ( 0.000 0.000 0.000) 0.000 14.598 ( 0.000 0.000 0.000) 0.000 14.625 ( 0.000 0.000 0.000) 0.000 14.870 ( 0.000 0.000 0.000) 0.000 14.885 ( 0.000 0.000 0.000) 0.000 14.965 ( 0.000 0.000 0.000) 0.000 15.003 ( 0.000 0.000 0.000) 0.000 15.283 ( 0.000 0.000 0.000) 0.000 15.444 ( 0.000 0.000 0.000) 0.000 15.719 ( 0.000 0.000 0.000) 0.000 16.043 ( 0.000 0.000 0.000) 0.000 16.074 ( 0.000 0.000 0.000) 0.000 16.351 ( 0.000 0.000 0.000) 0.000 16.489 ( 0.000 0.000 0.000) 0.000 16.582 ( 0.000 0.000 0.000) 0.000 16.696 ( 0.000 0.000 0.000) 0.000 16.699 ( 0.000 0.000 0.000) 0.000 18.262 ( 0.000 0.000 0.000) 0.000 18.276 ( 0.000 0.000 0.000) 0.000 18.362 ( 0.000 0.000 0.000) 0.000 18.543 ( 0.000 0.000 0.000) 0.000 19.179 ( 0.000 0.000 0.000) 0.000 19.363 ( 0.000 0.000 0.000) 0.000 19.426 ( 0.000 0.000 0.000) 0.000 19.501 ( 0.000 0.000 0.000) 0.000 24.985 ( 0.000 0.000 0.000) 0.000 25.033 ( 0.000 0.000 0.000) 0.000 25.103 ( 0.000 0.000 0.000) 0.000 25.143 ( 0.000 0.000 0.000) 0.000 26.856 ( 0.000 0.000 0.000) 0.000 26.885 ( 0.000 0.000 0.000) 0.000 26.947 ( 0.000 0.000 0.000) 0.000 26.983 ( 0.000 0.000 0.000) 0.000 27.776 ( 0.000 0.000 0.000) 0.000 27.790 ( 0.000 0.000 0.000) 0.000 27.919 ( 0.000 0.000 0.000) 0.000 28.110 ( 0.000 0.000 0.000) 0.000 28.115 ( 0.000 0.000 0.000) 0.000 28.392 ( 0.000 0.000 0.000) 0.000 28.602 ( 0.000 0.000 0.000) 0.000 28.722 ( 0.000 0.000 0.000) 0.000 28.836 ( 0.000 0.000 0.000) 0.000 28.850 ( 0.000 0.000 0.000) 0.000 28.853 ( 0.000 0.000 0.000) 0.000 29.804 ( 0.000 0.000 0.000) 0.000 30.231 ( 0.000 0.000 0.000) 0.000 30.325 ( 0.000 0.000 0.000) 0.000 30.360 ( 0.000 0.000 0.000) 0.000 30.440 ( 0.000 0.000 0.000) 0.000 30.484 ( 0.000 0.000 0.000) 0.000 30.566 ( 0.000 0.000 0.000) 0.000 30.578 ( 0.000 0.000 0.000) 0.000 30.819 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/54) ======================= q-point: ( 0.14 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 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 Number of triplets: 54 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.743 ( 37.017 0.000 2.037) 37.073 0.765 ( 39.593 0.000 -2.058) 39.646 1.466 ( 70.710 0.000 14.169) 72.115 2.231 ( -19.207 0.000 -0.931) 19.230 2.376 ( 1.756 0.000 -2.736) 3.251 2.424 ( -0.103 0.000 2.866) 2.868 2.562 ( -3.665 0.000 -4.192) 5.568 2.571 ( -1.235 0.000 -9.386) 9.467 2.630 ( 6.590 0.000 4.420) 7.935 2.715 ( -16.250 0.000 5.925) 17.297 3.097 ( -1.793 0.000 -12.859) 12.984 3.105 ( -3.617 0.000 -2.642) 4.479 3.186 ( 5.662 0.000 0.138) 5.663 3.429 ( -1.511 0.000 -8.991) 9.117 3.433 ( 12.131 0.000 5.240) 13.215 3.555 ( -0.159 0.000 10.048) 10.049 3.703 ( 0.457 0.000 -5.373) 5.392 3.808 ( 9.082 0.000 5.819) 10.786 3.898 ( 0.639 0.000 5.649) 5.685 3.991 ( 10.481 0.000 -1.927) 10.657 4.045 ( 9.027 0.000 0.901) 9.072 4.073 ( -0.263 0.000 14.965) 14.968 4.136 ( 3.138 0.000 -4.416) 5.418 4.189 ( 2.111 0.000 -2.507) 3.277 4.309 ( -1.718 0.000 -2.101) 2.714 4.343 ( 4.123 0.000 1.546) 4.404 4.349 ( 3.982 0.000 -7.817) 8.773 4.406 ( 4.708 0.000 8.818) 9.996 4.511 ( 17.622 0.000 -14.760) 22.987 4.532 ( 1.024 0.000 -8.818) 8.878 4.631 ( -8.536 0.000 -7.221) 11.181 4.813 ( -6.509 0.000 -6.516) 9.210 4.883 ( -9.139 0.000 -0.806) 9.175 4.968 ( -5.759 0.000 5.981) 8.303 5.031 ( 2.567 0.000 -0.088) 2.568 5.081 ( -3.740 0.000 5.418) 6.583 5.081 ( 1.372 0.000 5.197) 5.375 5.195 ( 0.177 0.000 5.519) 5.522 5.195 ( -2.336 0.000 7.516) 7.870 5.298 ( 3.647 0.000 -3.044) 4.750 5.458 ( 7.908 0.000 2.137) 8.192 5.576 ( 3.655 0.000 2.583) 4.475 5.592 ( -2.307 0.000 -6.240) 6.653 5.608 ( -2.510 0.000 -2.411) 3.481 5.804 ( -0.721 0.000 -5.958) 6.002 5.903 ( -1.323 0.000 -0.597) 1.452 5.992 ( 7.298 0.000 2.674) 7.773 6.018 ( 9.115 0.000 5.988) 10.906 6.060 ( -3.356 0.000 -1.109) 3.535 6.150 ( -5.518 0.000 0.521) 5.543 6.229 ( -0.598 0.000 -2.811) 2.874 6.280 ( -0.814 0.000 3.937) 4.020 6.646 ( -7.407 0.000 -1.364) 7.532 6.664 ( -15.812 0.000 13.535) 20.814 6.765 ( 5.113 0.000 -9.596) 10.873 6.878 ( 2.763 0.000 1.990) 3.405 6.952 ( -0.215 0.000 9.515) 9.517 6.962 ( -1.591 0.000 -10.960) 11.075 6.982 ( -1.462 0.000 0.017) 1.462 7.125 ( -9.802 0.000 -9.629) 13.741 7.156 ( 7.947 0.000 2.617) 8.367 7.355 ( -2.838 0.000 -3.148) 4.238 7.410 ( -4.630 0.000 9.166) 10.269 7.549 ( -5.740 0.000 -0.451) 5.758 7.582 ( -0.790 0.000 -3.403) 3.494 7.690 ( 5.089 0.000 2.543) 5.689 7.700 ( -4.650 0.000 4.447) 6.435 7.736 ( -5.556 0.000 -4.911) 7.416 7.883 ( -0.797 0.000 -1.073) 1.337 7.975 ( -3.077 0.000 -0.647) 3.144 8.008 ( -3.330 0.000 -9.649) 10.208 8.100 ( -6.886 0.000 2.146) 7.213 8.214 ( -0.641 0.000 -13.129) 13.145 8.310 ( -1.052 0.000 1.853) 2.131 8.385 ( 10.498 0.000 -0.755) 10.525 8.445 ( 2.539 0.000 -0.591) 2.607 8.552 ( -2.718 0.000 1.874) 3.301 8.623 ( 2.816 0.000 0.950) 2.972 8.655 ( 4.657 0.000 -0.221) 4.663 8.747 ( 1.702 0.000 -2.963) 3.417 8.772 ( -1.672 0.000 4.322) 4.635 8.856 ( -1.826 0.000 -1.498) 2.362 9.060 ( 3.595 0.000 19.894) 20.216 9.105 ( -1.318 0.000 1.033) 1.674 9.227 ( -7.605 0.000 -7.894) 10.961 9.380 ( 3.053 0.000 0.506) 3.095 9.510 ( -1.463 0.000 -0.394) 1.515 9.522 ( -2.648 0.000 -4.068) 4.854 9.638 ( 6.993 0.000 -7.384) 10.170 9.716 ( 1.142 0.000 5.528) 5.645 9.876 ( -6.768 0.000 -0.803) 6.815 9.965 ( -1.051 0.000 -2.981) 3.160 9.989 ( 7.642 0.000 2.142) 7.937 10.083 ( -0.517 0.000 0.395) 0.650 10.281 ( -4.788 0.000 1.967) 5.177 10.337 ( 0.012 0.000 3.547) 3.547 10.367 ( 1.405 0.000 -1.633) 2.154 10.476 ( -3.174 0.000 0.824) 3.279 10.478 ( -1.529 0.000 -3.052) 3.414 10.540 ( -3.415 0.000 1.543) 3.747 10.898 ( -0.391 0.000 -3.987) 4.006 10.987 ( -1.948 0.000 -3.942) 4.397 10.994 ( 7.787 0.000 -2.199) 8.091 11.195 ( -2.715 0.000 4.030) 4.859 11.260 ( -4.623 0.000 19.723) 20.258 11.543 ( -2.178 0.000 2.333) 3.191 11.580 ( -9.416 0.000 -3.746) 10.134 11.612 ( -6.072 0.000 10.503) 12.132 11.745 ( -0.888 0.000 2.781) 2.919 11.842 ( 1.709 0.000 -4.455) 4.771 11.908 ( -0.684 0.000 1.485) 1.635 12.109 ( -4.458 0.000 -3.044) 5.398 12.381 ( -2.355 0.000 0.714) 2.461 12.545 ( 1.558 0.000 0.390) 1.606 12.648 ( -3.201 0.000 0.908) 3.328 12.790 ( 0.354 0.000 1.948) 1.980 12.904 ( 0.569 0.000 -5.057) 5.089 12.973 ( -13.383 0.000 -0.766) 13.405 13.401 ( 11.739 0.000 8.139) 14.285 13.407 ( 19.330 0.000 0.320) 19.332 13.502 ( -6.383 0.000 -3.235) 7.156 13.618 ( 2.308 0.000 6.554) 6.948 13.941 ( -3.803 0.000 -3.306) 5.039 14.118 ( 5.858 0.000 0.017) 5.858 14.168 ( 7.561 0.000 4.129) 8.615 14.178 ( 5.312 0.000 -1.178) 5.441 14.425 ( 3.152 0.000 -7.523) 8.157 14.547 ( 12.138 0.000 3.911) 12.753 14.680 ( 3.015 0.000 -4.212) 5.180 14.833 ( 1.886 0.000 11.135) 11.294 14.835 ( 2.290 0.000 2.831) 3.642 14.984 ( 4.593 0.000 5.638) 7.272 14.991 ( 2.555 0.000 -3.171) 4.072 15.340 ( 5.896 0.000 -1.443) 6.070 15.399 ( -3.740 0.000 0.543) 3.779 15.575 ( -2.672 0.000 10.898) 11.221 16.078 ( 0.143 0.000 1.542) 1.548 16.089 ( 4.377 0.000 6.783) 8.073 16.329 ( -2.222 0.000 2.478) 3.328 16.464 ( -1.765 0.000 -3.786) 4.177 16.599 ( 1.839 0.000 -2.860) 3.400 16.734 ( 3.474 0.000 -0.535) 3.515 16.779 ( 7.519 0.000 -0.771) 7.558 17.214 ( -4.375 0.000 10.185) 11.085 18.249 ( -1.579 0.000 -1.559) 2.219 18.255 ( -2.130 0.000 0.334) 2.156 18.501 ( -4.127 0.000 3.990) 5.740 18.698 ( -5.940 0.000 -38.908) 39.359 19.105 ( -7.049 0.000 0.151) 7.051 19.303 ( -8.268 0.000 0.185) 8.270 19.428 ( -6.946 0.000 -0.237) 6.950 19.472 ( 0.956 0.000 -1.498) 1.777 24.914 ( -2.471 0.000 0.378) 2.500 25.150 ( 0.696 0.000 -0.578) 0.904 25.189 ( 10.643 0.000 -0.368) 10.650 26.096 ( 3.563 0.000 -8.549) 9.262 26.852 ( -3.238 0.000 1.544) 3.587 26.930 ( -0.314 0.000 13.044) 13.047 26.931 ( -1.414 0.000 -2.106) 2.537 26.982 ( -0.194 0.000 3.066) 3.072 27.771 ( -0.398 0.000 -2.799) 2.828 27.792 ( 0.218 0.000 0.145) 0.261 27.974 ( 1.872 0.000 -9.262) 9.449 28.103 ( -1.177 0.000 0.156) 1.187 28.141 ( 2.576 0.000 -0.228) 2.586 28.566 ( -4.070 0.000 19.138) 19.566 28.642 ( 4.164 0.000 -1.311) 4.365 28.833 ( 8.503 0.000 7.176) 11.126 28.848 ( 3.565 0.000 -0.250) 3.574 28.966 ( 9.357 0.000 1.140) 9.426 29.111 ( 3.571 0.000 -23.736) 24.003 29.780 ( -2.363 0.000 -0.521) 2.419 30.110 ( -10.953 0.000 -0.595) 10.970 30.287 ( -5.895 0.000 -4.495) 7.413 30.347 ( -0.125 0.000 6.109) 6.111 30.361 ( -10.444 0.000 -8.497) 13.464 30.479 ( -5.757 0.000 6.592) 8.752 30.657 ( 4.774 0.000 -6.886) 8.378 30.789 ( 4.587 0.000 -10.806) 11.739 31.223 ( -0.560 0.000 24.869) 24.875 ======================= Grid point 2 (3/54) ======================= q-point: ( 0.29 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 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 Number of triplets: 54 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.398 ( 28.414 0.000 0.926) 28.429 1.508 ( 34.123 0.000 -1.174) 34.143 1.790 ( -22.146 0.000 -0.152) 22.147 2.225 ( -11.489 0.000 1.996) 11.661 2.307 ( 2.464 0.000 0.085) 2.465 2.389 ( -0.225 0.000 -3.453) 3.461 2.534 ( -0.993 0.000 0.133) 1.002 2.602 ( 2.919 0.000 -2.596) 3.907 2.767 ( 24.484 0.000 7.777) 25.690 2.871 ( 4.529 0.000 8.369) 9.516 3.074 ( 18.721 0.000 -9.222) 20.869 3.108 ( 2.517 0.000 -2.088) 3.271 3.340 ( 8.177 0.000 -7.870) 11.349 3.438 ( 3.387 0.000 -8.447) 9.101 3.515 ( -6.183 0.000 -2.133) 6.540 3.676 ( 7.047 0.000 11.970) 13.890 3.791 ( 7.609 0.000 -0.066) 7.609 3.838 ( -6.231 0.000 12.980) 14.398 3.906 ( -1.496 0.000 8.186) 8.321 4.073 ( 8.819 0.000 7.011) 11.266 4.097 ( -3.684 0.000 -10.468) 11.098 4.152 ( -1.165 0.000 -8.089) 8.173 4.172 ( -0.547 0.000 2.846) 2.898 4.238 ( 0.543 0.000 5.983) 6.007 4.340 ( 13.501 0.000 -3.737) 14.009 4.387 ( 1.034 0.000 -2.316) 2.536 4.413 ( -5.394 0.000 2.766) 6.062 4.448 ( 5.129 0.000 1.827) 5.445 4.547 ( 0.412 0.000 -8.438) 8.448 4.571 ( -8.238 0.000 -11.695) 14.306 4.588 ( 5.812 0.000 -4.405) 7.293 4.645 ( -11.646 0.000 5.233) 12.768 4.797 ( -7.863 0.000 0.285) 7.869 4.899 ( 0.471 0.000 0.944) 1.055 4.999 ( 8.390 0.000 -6.997) 10.925 5.121 ( 9.821 0.000 4.954) 10.999 5.142 ( 0.767 0.000 8.478) 8.513 5.250 ( -1.265 0.000 3.710) 3.920 5.336 ( 8.517 0.000 -2.668) 8.925 5.347 ( 10.674 0.000 -4.682) 11.655 5.536 ( 2.545 0.000 12.501) 12.757 5.569 ( 1.064 0.000 -0.152) 1.075 5.623 ( -3.223 0.000 2.635) 4.163 5.734 ( 7.052 0.000 -7.211) 10.086 5.857 ( 1.074 0.000 1.021) 1.482 5.888 ( 3.845 0.000 -2.674) 4.684 5.994 ( -4.664 0.000 0.227) 4.670 6.043 ( 4.737 0.000 -3.263) 5.753 6.134 ( 4.226 0.000 -0.392) 4.244 6.158 ( 2.063 0.000 -0.999) 2.293 6.178 ( -3.737 0.000 -3.508) 5.126 6.234 ( -16.081 0.000 0.557) 16.090 6.397 ( 9.591 0.000 6.588) 11.636 6.609 ( -0.398 0.000 8.081) 8.090 6.729 ( -11.858 0.000 -1.648) 11.972 6.826 ( -1.384 0.000 -4.137) 4.362 6.867 ( -3.662 0.000 0.469) 3.692 6.930 ( -0.495 0.000 -5.037) 5.061 7.003 ( -0.694 0.000 -5.060) 5.107 7.133 ( 4.232 0.000 4.048) 5.857 7.206 ( -3.651 0.000 0.791) 3.736 7.220 ( -11.732 0.000 -4.120) 12.434 7.378 ( 4.255 0.000 11.321) 12.094 7.419 ( -11.100 0.000 -2.711) 11.427 7.522 ( -10.696 0.000 -6.759) 12.653 7.523 ( -2.556 0.000 0.055) 2.557 7.604 ( -8.213 0.000 4.013) 9.140 7.783 ( -5.529 0.000 -0.831) 5.591 7.788 ( 2.233 0.000 1.910) 2.939 7.954 ( -4.356 0.000 -0.154) 4.359 8.016 ( 8.032 0.000 -2.668) 8.463 8.041 ( 0.834 0.000 -3.429) 3.529 8.168 ( -2.309 0.000 -2.988) 3.776 8.289 ( -0.834 0.000 2.558) 2.690 8.462 ( 1.833 0.000 -2.589) 3.172 8.497 ( 2.316 0.000 -0.091) 2.318 8.551 ( -0.336 0.000 0.949) 1.007 8.626 ( -3.844 0.000 1.439) 4.104 8.679 ( 0.567 0.000 2.083) 2.159 8.772 ( 1.312 0.000 1.127) 1.730 8.773 ( -5.974 0.000 -0.713) 6.016 8.869 ( 7.193 0.000 5.462) 9.032 9.043 ( -5.379 0.000 -2.488) 5.926 9.087 ( -3.398 0.000 -5.644) 6.588 9.187 ( 5.485 0.000 0.508) 5.509 9.416 ( -1.402 0.000 0.390) 1.455 9.466 ( -1.714 0.000 -2.109) 2.717 9.470 ( -2.094 0.000 1.561) 2.612 9.750 ( -5.508 0.000 -5.767) 7.975 9.752 ( 2.952 0.000 0.735) 3.042 9.783 ( 6.147 0.000 -2.356) 6.583 9.931 ( -2.196 0.000 -1.644) 2.743 10.031 ( -5.156 0.000 4.777) 7.029 10.129 ( -5.994 0.000 -1.374) 6.150 10.149 ( 6.031 0.000 3.697) 7.074 10.250 ( -2.094 0.000 0.914) 2.285 10.465 ( -1.638 0.000 0.131) 1.644 10.466 ( 5.359 0.000 -4.206) 6.813 10.497 ( 3.414 0.000 3.813) 5.118 10.549 ( 6.163 0.000 0.493) 6.183 10.891 ( -0.323 0.000 -4.204) 4.216 10.924 ( -4.491 0.000 -3.145) 5.483 11.133 ( -4.292 0.000 7.983) 9.064 11.137 ( 5.706 0.000 1.350) 5.864 11.219 ( 0.410 0.000 0.897) 0.986 11.462 ( -1.154 0.000 -3.458) 3.646 11.483 ( -4.883 0.000 -5.034) 7.013 11.507 ( -3.226 0.000 17.466) 17.761 11.683 ( -6.407 0.000 -2.905) 7.035 11.811 ( -4.543 0.000 -1.790) 4.883 11.860 ( -4.842 0.000 2.592) 5.492 12.021 ( -1.063 0.000 -5.214) 5.321 12.342 ( -2.451 0.000 7.840) 8.214 12.546 ( -5.566 0.000 -0.423) 5.582 12.598 ( 1.020 0.000 -1.320) 1.668 12.692 ( -10.896 0.000 -0.802) 10.926 12.814 ( 0.908 0.000 5.321) 5.398 12.896 ( -0.934 0.000 -8.260) 8.313 13.399 ( -3.413 0.000 -0.296) 3.426 13.535 ( -1.734 0.000 2.964) 3.434 13.703 ( 4.967 0.000 2.247) 5.452 13.753 ( 7.578 0.000 3.290) 8.261 13.875 ( 6.199 0.000 -0.107) 6.200 14.192 ( 2.399 0.000 -2.304) 3.326 14.363 ( 10.969 0.000 4.715) 11.940 14.368 ( 12.212 0.000 -3.290) 12.648 14.550 ( 9.556 0.000 -7.076) 11.890 14.723 ( 2.608 0.000 -5.740) 6.305 14.833 ( 15.090 0.000 5.290) 15.990 14.882 ( 2.745 0.000 3.156) 4.183 14.920 ( 4.161 0.000 2.052) 4.639 15.050 ( 3.252 0.000 -2.710) 4.233 15.060 ( 3.321 0.000 6.458) 7.262 15.326 ( -3.412 0.000 -0.113) 3.414 15.486 ( -6.579 0.000 -0.136) 6.580 15.488 ( 8.305 0.000 -1.378) 8.419 16.071 ( -0.987 0.000 -0.077) 0.990 16.198 ( 5.852 0.000 7.957) 9.877 16.276 ( -2.994 0.000 3.683) 4.746 16.443 ( 0.253 0.000 -3.780) 3.788 16.650 ( 3.427 0.000 -2.082) 4.010 16.803 ( 2.860 0.000 -1.149) 3.082 16.951 ( 8.491 0.000 -4.410) 9.568 17.113 ( -5.072 0.000 5.911) 7.789 18.186 ( -5.114 0.000 -2.944) 5.901 18.198 ( -3.503 0.000 0.351) 3.521 18.400 ( -5.905 0.000 5.513) 8.078 18.554 ( -6.598 0.000 -9.970) 11.956 18.944 ( -8.412 0.000 0.440) 8.423 19.125 ( -9.175 0.000 -1.025) 9.232 19.270 ( -8.071 0.000 -0.799) 8.110 19.474 ( -0.421 0.000 -2.105) 2.147 24.896 ( 0.243 0.000 0.387) 0.457 25.166 ( 0.896 0.000 -0.757) 1.173 25.400 ( 10.170 0.000 -0.395) 10.177 26.177 ( 4.403 0.000 -2.276) 4.957 26.775 ( -4.192 0.000 1.283) 4.384 26.899 ( -1.632 0.000 -1.938) 2.534 26.930 ( 0.119 0.000 1.944) 1.948 26.975 ( -0.668 0.000 4.468) 4.517 27.762 ( -0.319 0.000 -2.937) 2.955 27.799 ( 0.453 0.000 0.303) 0.545 28.011 ( 1.973 0.000 -3.229) 3.784 28.074 ( -1.561 0.000 0.721) 1.719 28.182 ( 1.289 0.000 -0.354) 1.337 28.503 ( -2.756 0.000 7.101) 7.617 28.760 ( 7.652 0.000 -2.426) 8.027 28.973 ( 8.977 0.000 0.421) 8.987 29.015 ( 9.033 0.000 2.944) 9.501 29.190 ( 12.897 0.000 1.777) 13.019 29.211 ( 7.645 0.000 -6.363) 9.947 29.718 ( -3.712 0.000 -3.498) 5.101 29.850 ( -14.829 0.000 -0.920) 14.858 30.114 ( -14.190 0.000 -3.361) 14.583 30.129 ( -9.171 0.000 -3.178) 9.706 30.244 ( -10.711 0.000 8.117) 13.439 30.439 ( 1.547 0.000 -0.552) 1.643 30.740 ( 3.612 0.000 -2.891) 4.627 30.861 ( 2.752 0.000 -0.511) 2.799 31.226 ( 0.290 0.000 6.879) 6.885 ======================= Grid point 3 (4/54) ======================= q-point: ( 0.43 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 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 Number of triplets: 54 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.424 ( -10.458 0.000 -0.733) 10.484 1.764 ( 9.078 0.000 -1.552) 9.210 1.879 ( 0.315 0.000 2.711) 2.729 2.326 ( 19.296 0.000 -1.442) 19.350 2.354 ( 2.704 0.000 2.986) 4.029 2.380 ( -1.079 0.000 -6.399) 6.489 2.497 ( -2.737 0.000 2.517) 3.718 2.690 ( 8.667 0.000 -2.436) 9.003 2.841 ( 4.255 0.000 5.204) 6.722 2.955 ( 3.327 0.000 -1.697) 3.735 3.034 ( -15.794 0.000 -1.222) 15.841 3.282 ( -13.886 0.000 -2.691) 14.145 3.362 ( -3.115 0.000 -3.168) 4.442 3.421 ( 5.281 0.000 0.005) 5.281 3.540 ( 0.124 0.000 5.852) 5.853 3.766 ( 4.841 0.000 2.322) 5.369 3.798 ( -3.762 0.000 -0.477) 3.792 3.944 ( 6.912 0.000 11.308) 13.253 3.992 ( 16.455 0.000 -0.579) 16.465 4.081 ( -1.022 0.000 -9.342) 9.397 4.091 ( -3.796 0.000 -0.436) 3.821 4.133 ( -5.703 0.000 -3.538) 6.711 4.203 ( 0.504 0.000 0.713) 0.873 4.345 ( -0.700 0.000 0.549) 0.890 4.360 ( 4.197 0.000 -6.655) 7.867 4.360 ( 1.261 0.000 0.969) 1.590 4.427 ( -6.021 0.000 -2.983) 6.719 4.505 ( 3.406 0.000 -1.075) 3.572 4.523 ( -8.344 0.000 0.874) 8.390 4.540 ( 9.093 0.000 1.424) 9.204 4.572 ( 11.865 0.000 3.502) 12.371 4.762 ( 17.560 0.000 8.213) 19.386 4.819 ( 0.012 0.000 -4.156) 4.156 4.931 ( 0.391 0.000 3.988) 4.007 5.090 ( -4.977 0.000 3.165) 5.898 5.120 ( 7.665 0.000 -0.093) 7.666 5.210 ( 2.710 0.000 -1.803) 3.255 5.300 ( 7.568 0.000 -0.607) 7.592 5.401 ( -4.792 0.000 -0.825) 4.862 5.410 ( -18.145 0.000 -1.015) 18.173 5.498 ( -4.274 0.000 3.001) 5.223 5.524 ( -9.384 0.000 1.099) 9.448 5.721 ( 1.806 0.000 -2.690) 3.239 5.736 ( 6.631 0.000 -1.672) 6.838 5.773 ( 5.540 0.000 2.491) 6.074 5.870 ( -5.251 0.000 0.766) 5.307 5.881 ( -6.929 0.000 0.839) 6.980 6.090 ( 12.143 0.000 -5.888) 13.496 6.209 ( 2.222 0.000 -0.501) 2.278 6.228 ( 7.322 0.000 -3.896) 8.294 6.318 ( 5.257 0.000 2.168) 5.687 6.357 ( 10.739 0.000 -4.562) 11.668 6.461 ( -3.969 0.000 4.711) 6.160 6.613 ( 2.815 0.000 8.760) 9.201 6.633 ( 2.859 0.000 -3.811) 4.764 6.746 ( -6.298 0.000 1.499) 6.474 6.757 ( -5.461 0.000 -0.806) 5.520 6.915 ( -13.218 0.000 -5.867) 14.462 6.930 ( -4.325 0.000 2.482) 4.987 6.972 ( 2.625 0.000 -0.556) 2.683 7.146 ( 2.099 0.000 -7.018) 7.325 7.217 ( -10.556 0.000 -5.256) 11.792 7.220 ( 0.178 0.000 6.486) 6.489 7.242 ( -11.103 0.000 1.036) 11.151 7.459 ( -5.754 0.000 -0.349) 5.765 7.472 ( 3.646 0.000 4.052) 5.451 7.548 ( 3.309 0.000 2.345) 4.055 7.750 ( 1.121 0.000 0.155) 1.132 7.800 ( -0.319 0.000 -1.377) 1.413 7.874 ( -3.564 0.000 0.540) 3.604 8.046 ( 0.030 0.000 -1.312) 1.312 8.107 ( -0.591 0.000 -0.766) 0.968 8.156 ( 0.449 0.000 0.168) 0.480 8.366 ( 8.701 0.000 1.006) 8.759 8.496 ( -0.990 0.000 -0.598) 1.157 8.511 ( -0.653 0.000 -1.776) 1.892 8.560 ( 4.427 0.000 -0.446) 4.449 8.595 ( -0.723 0.000 8.759) 8.789 8.638 ( -5.749 0.000 -4.485) 7.291 8.648 ( -3.366 0.000 0.163) 3.370 8.776 ( -0.512 0.000 0.731) 0.892 8.920 ( -5.204 0.000 -2.428) 5.742 8.985 ( 3.515 0.000 1.491) 3.818 9.053 ( -0.354 0.000 -2.320) 2.347 9.269 ( 2.267 0.000 -0.806) 2.406 9.371 ( -1.717 0.000 1.738) 2.443 9.423 ( -2.181 0.000 -1.460) 2.625 9.441 ( -0.900 0.000 1.579) 1.818 9.656 ( -3.304 0.000 -3.436) 4.767 9.763 ( -1.015 0.000 0.053) 1.016 9.865 ( -3.886 0.000 -0.504) 3.918 9.873 ( 2.505 0.000 -1.641) 2.995 9.998 ( 3.330 0.000 4.157) 5.327 10.073 ( -2.294 0.000 -2.908) 3.704 10.214 ( 3.081 0.000 2.344) 3.871 10.290 ( 1.634 0.000 0.613) 1.745 10.419 ( -1.973 0.000 -0.379) 2.009 10.533 ( 1.625 0.000 3.568) 3.921 10.630 ( 8.311 0.000 -6.973) 10.849 10.710 ( 7.763 0.000 1.020) 7.830 10.843 ( -2.573 0.000 0.594) 2.640 10.873 ( -1.591 0.000 -2.263) 2.767 10.989 ( -8.662 0.000 2.264) 8.953 11.216 ( 3.486 0.000 4.844) 5.968 11.285 ( 4.832 0.000 4.449) 6.568 11.382 ( -4.907 0.000 -4.140) 6.420 11.393 ( -8.444 0.000 -6.059) 10.393 11.493 ( 0.592 0.000 7.326) 7.350 11.626 ( 3.407 0.000 -3.407) 4.818 11.705 ( -4.533 0.000 -1.759) 4.863 11.801 ( -1.059 0.000 2.589) 2.797 12.037 ( 1.183 0.000 -2.075) 2.389 12.276 ( -4.218 0.000 8.123) 9.152 12.429 ( -6.526 0.000 -5.142) 8.308 12.465 ( -2.290 0.000 -0.309) 2.311 12.740 ( 4.613 0.000 0.892) 4.698 12.835 ( 1.257 0.000 7.737) 7.839 12.868 ( -1.510 0.000 -9.010) 9.136 13.358 ( -1.053 0.000 0.610) 1.217 13.392 ( -6.905 0.000 -0.836) 6.956 13.783 ( 2.520 0.000 0.748) 2.629 13.860 ( 3.300 0.000 4.110) 5.271 13.982 ( 2.427 0.000 -1.892) 3.077 14.217 ( 0.395 0.000 -1.408) 1.462 14.541 ( 5.700 0.000 1.874) 6.001 14.559 ( 5.112 0.000 0.074) 5.113 14.730 ( 6.879 0.000 -2.536) 7.332 14.775 ( 1.762 0.000 -2.772) 3.284 14.923 ( 1.274 0.000 1.023) 1.634 14.990 ( 3.619 0.000 -2.002) 4.136 15.089 ( 4.224 0.000 -2.718) 5.023 15.097 ( -0.306 0.000 4.668) 4.678 15.106 ( 8.511 0.000 5.562) 10.168 15.275 ( -2.176 0.000 -0.962) 2.380 15.332 ( -8.187 0.000 -1.988) 8.425 15.619 ( 4.156 0.000 -0.406) 4.175 16.049 ( -0.761 0.000 -0.763) 1.077 16.228 ( -1.676 0.000 1.659) 2.358 16.288 ( 2.488 0.000 3.471) 4.271 16.474 ( 2.175 0.000 -1.677) 2.746 16.722 ( 3.330 0.000 -0.556) 3.376 16.823 ( -0.690 0.000 -0.443) 0.819 16.959 ( -3.617 0.000 -1.659) 3.979 17.155 ( 4.997 0.000 1.486) 5.214 18.073 ( -4.548 0.000 -1.557) 4.807 18.140 ( -1.825 0.000 0.015) 1.825 18.303 ( -3.277 0.000 2.717) 4.256 18.466 ( -2.145 0.000 -1.632) 2.695 18.819 ( -3.626 0.000 0.315) 3.640 18.986 ( -4.100 0.000 -0.584) 4.141 19.154 ( -3.213 0.000 -0.516) 3.255 19.464 ( -0.325 0.000 -0.860) 0.919 24.907 ( 0.488 0.000 0.181) 0.521 25.179 ( 0.408 0.000 -0.349) 0.537 25.548 ( 4.317 0.000 -0.202) 4.322 26.244 ( 2.012 0.000 -0.387) 2.049 26.711 ( -1.971 0.000 0.482) 2.029 26.874 ( -0.739 0.000 -0.749) 1.053 26.937 ( 0.557 0.000 -1.668) 1.759 26.960 ( -0.857 0.000 3.541) 3.643 27.758 ( -0.096 0.000 -1.199) 1.203 27.807 ( 0.271 0.000 0.175) 0.322 28.039 ( 0.883 0.000 -2.987) 3.115 28.050 ( -0.774 0.000 2.382) 2.505 28.192 ( 0.052 0.000 -0.180) 0.187 28.467 ( -1.059 0.000 2.077) 2.331 28.896 ( 4.822 0.000 -1.601) 5.081 29.141 ( 3.347 0.000 -0.448) 3.377 29.174 ( 10.193 0.000 0.380) 10.200 29.403 ( 10.149 0.000 4.671) 11.173 29.406 ( 5.225 0.000 3.059) 6.055 29.588 ( -8.520 0.000 -2.285) 8.821 29.654 ( -1.904 0.000 -10.954) 11.119 29.840 ( -12.157 0.000 3.924) 12.775 29.978 ( -4.420 0.000 -6.294) 7.691 30.029 ( -9.456 0.000 7.838) 12.282 30.471 ( 1.070 0.000 -0.151) 1.081 30.788 ( 1.326 0.000 -0.801) 1.549 30.895 ( 0.856 0.000 0.285) 0.902 31.235 ( 0.304 0.000 1.453) 1.485 ======================= Grid point 7 (5/54) ======================= q-point: ( 0.00 0.20 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 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 Number of triplets: 54 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.769 ( 0.000 38.789 0.000) 38.789 0.790 ( 0.000 39.212 0.000) 39.212 1.188 ( 0.000 52.151 0.000) 52.151 2.304 ( 0.000 -4.382 0.000) 4.382 2.329 ( 0.000 -3.967 0.000) 3.967 2.482 ( 0.000 4.629 0.000) 4.629 2.601 ( 0.000 -3.240 0.000) 3.240 2.769 ( 0.000 -15.576 0.000) 15.576 2.772 ( 0.000 14.205 0.000) 14.205 2.822 ( 0.000 10.873 0.000) 10.873 2.914 ( 0.000 2.118 0.000) 2.118 2.918 ( 0.000 7.166 0.000) 7.166 3.190 ( 0.000 -1.502 0.000) 1.502 3.510 ( 0.000 9.307 0.000) 9.307 3.578 ( 0.000 1.938 0.000) 1.938 3.620 ( 0.000 -2.555 0.000) 2.555 3.680 ( 0.000 5.315 0.000) 5.315 3.731 ( 0.000 5.560 0.000) 5.560 3.802 ( 0.000 4.856 0.000) 4.856 3.872 ( 0.000 5.754 0.000) 5.754 4.025 ( 0.000 -2.206 0.000) 2.206 4.106 ( 0.000 2.586 0.000) 2.586 4.123 ( 0.000 0.187 0.000) 0.187 4.142 ( 0.000 0.869 0.000) 0.869 4.216 ( 0.000 4.369 0.000) 4.369 4.258 ( 0.000 -3.627 0.000) 3.627 4.321 ( 0.000 -3.471 0.000) 3.471 4.341 ( 0.000 4.178 0.000) 4.178 4.555 ( 0.000 4.843 0.000) 4.843 4.650 ( 0.000 -9.191 0.000) 9.191 4.761 ( 0.000 -9.124 0.000) 9.124 4.784 ( 0.000 6.401 0.000) 6.401 4.863 ( 0.000 -10.980 0.000) 10.980 4.958 ( 0.000 0.626 0.000) 0.626 5.067 ( 0.000 3.997 0.000) 3.997 5.088 ( 0.000 -0.136 0.000) 0.136 5.123 ( 0.000 -1.885 0.000) 1.885 5.168 ( 0.000 -2.358 0.000) 2.358 5.202 ( 0.000 -1.409 0.000) 1.409 5.313 ( 0.000 1.475 0.000) 1.475 5.411 ( 0.000 -0.467 0.000) 0.467 5.526 ( 0.000 -6.620 0.000) 6.620 5.565 ( 0.000 -2.324 0.000) 2.324 5.684 ( 0.000 -3.372 0.000) 3.372 5.777 ( 0.000 0.116 0.000) 0.116 5.864 ( 0.000 0.662 0.000) 0.662 5.999 ( 0.000 4.535 0.000) 4.535 6.136 ( 0.000 5.565 0.000) 5.565 6.189 ( 0.000 2.335 0.000) 2.335 6.289 ( 0.000 4.182 0.000) 4.182 6.338 ( 0.000 4.726 0.000) 4.726 6.379 ( 0.000 8.085 0.000) 8.085 6.655 ( 0.000 -5.576 0.000) 5.576 6.759 ( 0.000 2.206 0.000) 2.206 6.827 ( 0.000 -3.594 0.000) 3.594 6.855 ( 0.000 -0.528 0.000) 0.528 6.868 ( 0.000 -5.262 0.000) 5.262 6.927 ( 0.000 -8.197 0.000) 8.197 7.012 ( 0.000 -7.816 0.000) 7.816 7.085 ( 0.000 -4.544 0.000) 4.544 7.294 ( 0.000 -4.323 0.000) 4.323 7.414 ( 0.000 -7.023 0.000) 7.023 7.445 ( 0.000 0.063 0.000) 0.063 7.456 ( 0.000 -4.171 0.000) 4.171 7.503 ( 0.000 3.547 0.000) 3.547 7.676 ( 0.000 3.147 0.000) 3.147 7.819 ( 0.000 2.023 0.000) 2.023 7.879 ( 0.000 3.670 0.000) 3.670 7.907 ( 0.000 6.089 0.000) 6.089 7.979 ( 0.000 -1.610 0.000) 1.610 8.001 ( 0.000 -5.217 0.000) 5.217 8.109 ( 0.000 -3.278 0.000) 3.278 8.143 ( 0.000 -4.643 0.000) 4.643 8.164 ( 0.000 1.281 0.000) 1.281 8.228 ( 0.000 -7.335 0.000) 7.335 8.423 ( 0.000 -4.089 0.000) 4.089 8.449 ( 0.000 -2.429 0.000) 2.429 8.628 ( 0.000 4.593 0.000) 4.593 8.655 ( 0.000 3.866 0.000) 3.866 8.725 ( 0.000 -2.232 0.000) 2.232 8.765 ( 0.000 4.056 0.000) 4.056 8.898 ( 0.000 3.379 0.000) 3.379 8.985 ( 0.000 -2.219 0.000) 2.219 9.024 ( 0.000 -6.166 0.000) 6.166 9.192 ( 0.000 -7.268 0.000) 7.268 9.320 ( 0.000 -8.050 0.000) 8.050 9.389 ( 0.000 1.656 0.000) 1.656 9.553 ( 0.000 3.026 0.000) 3.026 9.677 ( 0.000 10.870 0.000) 10.870 9.801 ( 0.000 4.713 0.000) 4.713 9.888 ( 0.000 3.908 0.000) 3.908 9.986 ( 0.000 0.653 0.000) 0.653 10.103 ( 0.000 2.459 0.000) 2.459 10.208 ( 0.000 -4.548 0.000) 4.548 10.262 ( 0.000 -2.464 0.000) 2.464 10.349 ( 0.000 -3.243 0.000) 3.243 10.508 ( 0.000 2.186 0.000) 2.186 10.543 ( 0.000 -0.848 0.000) 0.848 10.593 ( 0.000 0.500 0.000) 0.500 10.713 ( 0.000 0.184 0.000) 0.184 10.849 ( 0.000 -2.548 0.000) 2.548 10.946 ( 0.000 -4.427 0.000) 4.427 11.101 ( 0.000 4.687 0.000) 4.687 11.140 ( 0.000 2.927 0.000) 2.927 11.223 ( 0.000 1.508 0.000) 1.508 11.543 ( 0.000 -2.230 0.000) 2.230 11.600 ( 0.000 -6.641 0.000) 6.641 11.651 ( 0.000 -3.469 0.000) 3.469 11.803 ( 0.000 3.561 0.000) 3.561 11.890 ( 0.000 2.315 0.000) 2.315 11.942 ( 0.000 1.360 0.000) 1.360 12.246 ( 0.000 -5.393 0.000) 5.393 12.576 ( 0.000 4.042 0.000) 4.042 12.686 ( 0.000 3.041 0.000) 3.041 12.789 ( 0.000 0.018 0.000) 0.018 12.803 ( 0.000 -0.625 0.000) 0.625 12.862 ( 0.000 1.748 0.000) 1.748 13.045 ( 0.000 -3.453 0.000) 3.453 13.220 ( 0.000 2.127 0.000) 2.127 13.271 ( 0.000 -1.466 0.000) 1.466 13.361 ( 0.000 3.938 0.000) 3.938 13.660 ( 0.000 -0.768 0.000) 0.768 13.901 ( 0.000 3.972 0.000) 3.972 13.903 ( 0.000 -3.583 0.000) 3.583 14.022 ( 0.000 -4.807 0.000) 4.807 14.102 ( 0.000 -0.336 0.000) 0.336 14.152 ( 0.000 4.464 0.000) 4.464 14.551 ( 0.000 0.682 0.000) 0.682 14.697 ( 0.000 7.614 0.000) 7.614 14.827 ( 0.000 -3.135 0.000) 3.135 14.854 ( 0.000 -0.437 0.000) 0.437 14.961 ( 0.000 -0.636 0.000) 0.636 15.065 ( 0.000 3.150 0.000) 3.150 15.126 ( 0.000 -6.641 0.000) 6.641 15.492 ( 0.000 4.503 0.000) 4.503 15.688 ( 0.000 -2.353 0.000) 2.353 15.980 ( 0.000 -4.607 0.000) 4.607 16.095 ( 0.000 4.615 0.000) 4.615 16.109 ( 0.000 1.211 0.000) 1.211 16.228 ( 0.000 -7.377 0.000) 7.377 16.473 ( 0.000 -2.665 0.000) 2.665 16.526 ( 0.000 -4.552 0.000) 4.552 16.769 ( 0.000 5.133 0.000) 5.133 16.773 ( 0.000 5.697 0.000) 5.697 18.266 ( 0.000 0.323 0.000) 0.323 18.276 ( 0.000 -0.002 0.000) 0.002 18.382 ( 0.000 1.990 0.000) 1.990 18.609 ( 0.000 -3.983 0.000) 3.983 19.200 ( 0.000 1.367 0.000) 1.367 19.342 ( 0.000 -1.980 0.000) 1.980 19.445 ( 0.000 1.635 0.000) 1.635 19.501 ( 0.000 -0.058 0.000) 0.058 24.993 ( 0.000 0.713 0.000) 0.713 25.045 ( 0.000 -0.477 0.000) 0.477 25.107 ( 0.000 0.372 0.000) 0.372 25.139 ( 0.000 -0.359 0.000) 0.359 26.848 ( 0.000 -0.643 0.000) 0.643 26.925 ( 0.000 -4.175 0.000) 4.175 26.962 ( 0.000 1.548 0.000) 1.548 27.169 ( 0.000 -2.693 0.000) 2.693 27.871 ( 0.000 8.425 0.000) 8.425 27.932 ( 0.000 1.344 0.000) 1.344 28.069 ( 0.000 -0.325 0.000) 0.325 28.126 ( 0.000 1.359 0.000) 1.359 28.152 ( 0.000 4.099 0.000) 4.099 28.384 ( 0.000 -0.995 0.000) 0.995 28.714 ( 0.000 -0.583 0.000) 0.583 28.792 ( 0.000 -2.800 0.000) 2.800 28.815 ( 0.000 1.670 0.000) 1.670 28.879 ( 0.000 1.062 0.000) 1.062 29.830 ( 0.000 2.800 0.000) 2.800 30.128 ( 0.000 1.205 0.000) 1.205 30.202 ( 0.000 -3.252 0.000) 3.252 30.324 ( 0.000 -3.961 0.000) 3.961 30.400 ( 0.000 -0.064 0.000) 0.064 30.424 ( 0.000 -1.424 0.000) 1.424 30.485 ( 0.000 0.071 0.000) 0.071 30.531 ( 0.000 -2.917 0.000) 2.917 30.838 ( 0.000 1.099 0.000) 1.099 30.843 ( 0.000 -0.027 0.000) 0.027 ======================= Grid point 8 (6/54) ======================= q-point: ( 0.14 0.20 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 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 Number of triplets: 88 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.974 ( 22.162 23.580 15.661) 35.951 1.136 ( 29.487 26.804 -7.202) 40.494 1.889 ( 52.791 32.393 5.810) 62.209 2.140 ( -15.284 -7.408 0.254) 16.986 2.375 ( 2.776 0.982 -0.556) 2.996 2.532 ( 0.974 -1.566 0.721) 1.980 2.614 ( -6.381 2.828 -6.505) 9.541 2.680 ( -10.210 8.676 4.894) 14.264 2.716 ( -1.482 14.790 -4.743) 15.603 2.849 ( 6.992 -2.740 2.474) 7.907 2.929 ( 1.947 8.171 2.443) 8.747 3.006 ( -2.758 -7.643 -5.954) 10.073 3.154 ( 11.402 -3.944 -4.882) 13.016 3.466 ( 0.520 4.849 3.812) 6.190 3.493 ( -0.075 6.959 -3.499) 7.790 3.590 ( 4.596 1.844 6.363) 8.063 3.724 ( -2.152 4.950 1.608) 5.632 3.825 ( 5.748 -1.577 -0.715) 6.003 3.890 ( 2.374 -0.458 0.891) 2.577 3.961 ( 1.096 2.518 4.806) 5.536 4.090 ( 4.662 0.951 12.707) 13.569 4.101 ( 1.152 0.472 -0.806) 1.483 4.169 ( 2.338 0.850 0.297) 2.506 4.200 ( 3.564 2.805 -4.260) 6.222 4.295 ( 2.982 0.724 0.425) 3.097 4.334 ( 6.610 0.115 -3.393) 7.431 4.359 ( 6.347 -2.999 -11.280) 13.286 4.467 ( 8.014 0.494 -1.471) 8.163 4.515 ( 0.650 1.802 -9.987) 10.169 4.613 ( 3.378 -0.125 3.619) 4.952 4.664 ( -4.742 1.697 -8.533) 9.908 4.819 ( -5.933 2.287 -1.083) 6.450 4.862 ( -0.547 -2.789 -3.106) 4.210 4.948 ( -8.443 1.440 -0.012) 8.565 4.994 ( -2.570 -4.120 7.430) 8.876 5.030 ( -0.501 0.488 3.337) 3.410 5.107 ( -4.404 -0.496 2.019) 4.870 5.159 ( 3.235 -0.959 4.672) 5.764 5.234 ( 7.420 -3.843 1.920) 8.574 5.317 ( -3.078 1.053 2.769) 4.272 5.362 ( 0.256 -5.314 -4.677) 7.084 5.537 ( 1.150 0.127 3.409) 3.600 5.626 ( 5.294 0.728 -4.032) 6.694 5.664 ( -2.076 0.955 -1.295) 2.627 5.788 ( 2.260 -1.418 -2.805) 3.871 5.881 ( 1.721 -6.238 1.879) 6.739 6.026 ( 3.790 4.163 3.267) 6.509 6.043 ( -10.568 9.648 0.912) 14.339 6.158 ( -2.565 4.135 -1.903) 5.225 6.194 ( -1.640 4.368 2.193) 5.155 6.301 ( -2.261 6.999 -0.008) 7.355 6.357 ( -0.328 6.035 0.463) 6.062 6.583 ( -4.311 -6.013 2.132) 7.700 6.692 ( -15.621 2.721 3.711) 16.285 6.746 ( 2.369 -2.035 -2.923) 4.277 6.808 ( -5.962 -10.948 -6.645) 14.127 6.893 ( 0.134 -3.840 -1.714) 4.208 6.940 ( -8.135 -2.643 1.121) 8.626 6.996 ( 7.628 -2.766 6.094) 10.148 7.052 ( 1.529 -7.131 7.922) 10.768 7.092 ( -8.941 -1.684 -11.705) 14.825 7.283 ( -2.737 -2.303 -0.685) 3.641 7.440 ( -3.561 -3.164 -0.938) 4.855 7.496 ( 1.018 4.552 -0.141) 4.667 7.616 ( 2.958 -4.402 0.708) 5.350 7.666 ( -2.787 5.460 -0.268) 6.136 7.768 ( -4.754 0.883 0.404) 4.852 7.803 ( -6.226 5.229 5.837) 10.009 7.850 ( -3.975 -3.311 -4.966) 7.171 7.995 ( -2.046 -6.125 1.339) 6.595 8.017 ( 0.717 2.557 -6.472) 6.996 8.085 ( -0.401 5.059 0.244) 5.080 8.136 ( 1.236 -6.556 -2.572) 7.150 8.230 ( -0.840 -4.144 -5.350) 6.819 8.377 ( 10.742 -2.567 -3.920) 11.719 8.425 ( 0.538 -0.660 2.188) 2.348 8.480 ( 0.266 -4.335 1.669) 4.653 8.644 ( 0.459 1.985 0.529) 2.104 8.719 ( 3.592 1.800 2.952) 4.986 8.739 ( -1.778 -0.768 2.371) 3.061 8.821 ( 2.994 -0.020 -4.383) 5.308 8.888 ( 2.563 -2.979 5.618) 6.856 8.935 ( 2.529 0.644 1.147) 2.851 9.039 ( -2.036 -5.377 0.804) 5.805 9.188 ( -0.761 -3.242 1.472) 3.641 9.307 ( -1.256 -7.249 -1.011) 7.426 9.456 ( 4.245 -1.438 -3.341) 5.590 9.543 ( -1.290 0.203 -1.580) 2.050 9.670 ( 0.395 8.285 -2.140) 8.566 9.810 ( -0.590 6.113 2.522) 6.639 9.857 ( -4.618 -0.406 -2.930) 5.484 10.012 ( 4.557 1.428 1.917) 5.146 10.027 ( -5.970 0.757 -0.979) 6.097 10.192 ( -5.232 0.173 -0.683) 5.279 10.257 ( -1.548 1.816 -0.420) 2.423 10.340 ( 2.116 -0.524 3.676) 4.273 10.380 ( -8.903 0.141 -0.355) 8.911 10.471 ( -2.568 -1.799 0.245) 3.145 10.492 ( -1.884 4.703 2.756) 5.768 10.623 ( -2.262 6.207 -0.873) 6.664 10.841 ( -3.073 -2.419 -1.284) 4.117 10.981 ( 7.805 -1.283 -2.104) 8.185 11.049 ( -3.459 3.988 -4.666) 7.045 11.199 ( 0.327 -0.730 -3.801) 3.885 11.268 ( -1.252 0.387 14.079) 14.140 11.498 ( -3.927 -3.288 -0.387) 5.136 11.530 ( -7.380 -3.161 2.215) 8.328 11.608 ( -1.425 -1.557 4.400) 4.880 11.783 ( -4.216 -0.185 3.641) 5.574 11.812 ( -0.200 2.698 -4.447) 5.205 11.918 ( -2.461 -0.708 3.133) 4.046 12.134 ( -7.267 -1.091 -1.281) 7.459 12.464 ( -7.523 7.476 -2.007) 10.795 12.568 ( -0.288 2.325 -0.508) 2.397 12.655 ( -5.336 0.817 -1.986) 5.752 12.843 ( -1.581 -3.001 -8.110) 8.791 12.889 ( 0.213 6.606 5.715) 8.738 13.021 ( -8.298 3.040 1.850) 9.029 13.368 ( 15.979 -3.418 -1.997) 16.462 13.427 ( 11.444 2.449 8.884) 14.694 13.487 ( -8.271 -2.114 -3.053) 9.067 13.586 ( 9.408 -2.647 9.598) 13.698 13.929 ( -0.729 0.499 -2.310) 2.473 14.087 ( 4.752 -3.662 -0.093) 6.000 14.139 ( 7.157 -1.746 2.227) 7.696 14.222 ( 10.433 -0.826 0.869) 10.501 14.284 ( 13.697 -2.367 -2.823) 14.184 14.627 ( 5.486 1.907 -2.445) 6.301 14.687 ( 5.216 1.513 4.534) 7.075 14.793 ( -2.070 2.125 0.031) 2.967 14.880 ( 3.208 -5.973 0.738) 6.821 14.970 ( 1.209 2.037 4.737) 5.296 15.000 ( 2.278 3.264 -2.440) 4.669 15.243 ( 3.148 -5.839 1.585) 6.820 15.496 ( 0.732 7.106 1.814) 7.370 15.628 ( -2.246 3.246 3.872) 5.530 15.975 ( -0.255 -8.294 1.732) 8.477 16.127 ( 2.593 0.611 3.106) 4.092 16.226 ( 0.824 -5.438 1.626) 5.735 16.454 ( -1.019 -1.678 -2.008) 2.809 16.561 ( 3.079 -4.593 2.688) 6.148 16.669 ( 12.663 -9.886 -4.169) 16.597 16.835 ( 5.899 4.374 -1.260) 7.451 16.935 ( 18.110 -7.558 -6.660) 20.723 18.244 ( -2.172 0.300 -1.387) 2.594 18.273 ( -1.032 0.811 1.358) 1.888 18.422 ( 1.207 -4.203 -4.335) 6.157 18.564 ( -3.656 -5.949 -8.504) 11.003 19.125 ( -6.969 1.780 -0.120) 7.193 19.285 ( -7.122 -1.977 0.456) 7.405 19.405 ( -1.461 -1.402 0.696) 2.141 19.427 ( -6.991 -0.173 -0.106) 6.994 24.938 ( -2.096 2.306 0.317) 3.132 25.129 ( 1.578 -1.115 -0.395) 1.972 25.156 ( 8.309 -3.136 -0.176) 8.883 25.483 ( 21.843 -21.648 -0.302) 30.754 26.836 ( -1.410 -0.103 0.063) 1.416 26.894 ( -1.668 -0.820 1.004) 2.112 26.972 ( 0.122 0.548 -1.482) 1.585 27.133 ( -2.871 0.333 4.442) 5.300 27.853 ( -0.753 8.306 -1.092) 8.411 27.971 ( 2.635 1.288 -0.871) 3.060 28.026 ( -2.050 5.776 -3.641) 7.128 28.110 ( -1.997 3.596 2.658) 4.897 28.198 ( 3.987 3.171 -2.588) 5.714 28.436 ( 3.393 -4.025 3.670) 6.417 28.755 ( 3.867 -0.071 0.245) 3.875 28.822 ( 2.202 -1.263 2.072) 3.277 28.884 ( 7.232 2.598 2.808) 8.182 28.964 ( 8.665 -0.048 0.012) 8.665 29.534 ( -26.359 24.238 -6.956) 36.478 29.814 ( -3.894 4.157 -1.016) 5.786 30.074 ( -12.189 -3.993 -1.087) 12.872 30.248 ( -7.209 -3.813 -4.229) 9.186 30.324 ( -5.044 -1.547 2.936) 6.037 30.351 ( -2.804 -0.590 -0.752) 2.962 30.518 ( -4.953 2.828 1.577) 5.918 30.632 ( 5.458 -1.904 -5.563) 8.023 30.802 ( 2.868 0.970 -8.387) 8.916 31.066 ( 6.756 -10.478 18.004) 21.900 ======================= Grid point 9 (7/54) ======================= q-point: ( 0.29 0.20 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 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 Number of triplets: 88 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.494 ( 25.476 9.384 7.125) 28.068 1.748 ( 30.964 17.468 -3.633) 35.736 1.814 ( -15.998 1.847 -1.424) 16.167 2.208 ( -12.929 2.813 3.002) 13.567 2.348 ( -4.635 3.539 -2.595) 6.383 2.462 ( -2.241 2.140 -4.903) 5.800 2.575 ( -2.568 1.164 2.039) 3.480 2.731 ( 3.374 15.059 -2.646) 15.657 2.888 ( 3.077 1.114 7.182) 7.893 2.993 ( 13.681 10.038 4.403) 17.530 3.024 ( 8.248 -2.991 -2.566) 9.142 3.125 ( 21.414 8.396 -3.811) 23.315 3.380 ( 11.253 3.625 -6.610) 13.545 3.459 ( 2.219 0.327 -4.953) 5.437 3.605 ( -0.672 3.103 2.139) 3.828 3.610 ( 0.550 3.297 0.551) 3.388 3.771 ( 6.685 1.045 10.517) 12.505 3.838 ( -3.732 -2.877 -1.399) 4.915 3.914 ( 0.384 2.921 7.441) 8.003 4.011 ( 6.662 -6.691 -0.502) 9.455 4.091 ( 2.004 1.774 7.801) 8.247 4.151 ( -3.090 0.538 1.150) 3.341 4.186 ( 3.795 1.191 -4.841) 6.265 4.275 ( 3.133 2.353 -0.022) 3.919 4.385 ( 0.985 2.755 -7.570) 8.116 4.408 ( 0.756 1.045 -1.572) 2.034 4.424 ( 0.453 -0.496 0.506) 0.841 4.472 ( 1.517 0.840 2.316) 2.893 4.536 ( -4.358 -0.606 -6.894) 8.179 4.586 ( 3.778 3.425 -2.548) 5.700 4.677 ( -1.820 5.804 0.390) 6.095 4.714 ( -9.393 5.759 -3.460) 11.548 4.767 ( -5.394 -1.359 1.674) 5.809 4.877 ( -2.753 -1.965 2.590) 4.261 4.956 ( 8.363 -1.955 -4.706) 9.793 5.086 ( 6.593 -2.639 3.079) 7.741 5.174 ( 10.608 -2.308 2.663) 11.178 5.238 ( 2.641 -0.142 5.011) 5.667 5.300 ( 1.135 1.587 -9.157) 9.363 5.383 ( 7.376 -1.823 4.891) 9.036 5.479 ( 2.518 -3.446 5.690) 7.113 5.552 ( 8.246 -5.510 -0.608) 9.936 5.653 ( -1.373 5.749 3.973) 7.121 5.698 ( 3.351 1.309 -2.891) 4.615 5.844 ( -8.057 -0.347 -2.288) 8.383 5.906 ( 5.950 -4.718 -0.696) 7.625 5.961 ( -0.618 1.380 -1.340) 2.021 6.074 ( 9.838 -6.856 2.745) 12.302 6.150 ( 0.565 5.728 -4.440) 7.269 6.195 ( -3.455 5.381 1.247) 6.515 6.222 ( -3.461 4.513 0.479) 5.707 6.293 ( -10.937 5.344 -1.943) 12.327 6.408 ( -6.077 0.457 6.889) 9.197 6.584 ( 5.176 -1.662 2.976) 6.197 6.665 ( -5.856 -6.603 -4.498) 9.906 6.760 ( -7.918 -7.021 -2.650) 10.910 6.785 ( -1.003 -4.153 1.642) 4.577 6.891 ( -1.251 -4.280 -1.150) 4.605 6.996 ( -0.667 -8.390 -10.162) 13.195 7.039 ( -2.806 -2.607 -0.777) 3.908 7.125 ( 1.099 -4.138 2.088) 4.763 7.246 ( 0.060 3.918 6.469) 7.563 7.350 ( -5.173 -2.155 0.961) 5.686 7.434 ( -7.125 0.604 -4.079) 8.232 7.515 ( -9.564 1.741 -0.646) 9.743 7.599 ( -10.064 1.806 -1.795) 10.381 7.657 ( -7.491 4.056 2.103) 8.774 7.730 ( 3.213 -4.665 1.488) 5.856 7.825 ( 1.388 3.619 1.488) 4.152 7.906 ( -5.134 -5.054 2.185) 7.528 8.059 ( 1.050 0.182 -0.890) 1.388 8.076 ( 0.473 3.716 -0.198) 3.752 8.144 ( -0.571 -1.294 -4.530) 4.745 8.229 ( 3.439 -1.217 -1.182) 3.834 8.442 ( -0.269 -1.015 -0.625) 1.222 8.473 ( 1.723 -4.274 3.721) 5.923 8.483 ( 0.945 -2.502 -1.271) 2.961 8.647 ( -2.778 -0.548 1.573) 3.239 8.659 ( -0.635 -0.539 -0.325) 0.894 8.797 ( -0.824 0.573 -2.573) 2.761 8.833 ( -0.396 3.866 1.339) 4.111 8.913 ( -0.414 2.099 2.353) 3.180 8.992 ( -0.563 -1.406 -5.067) 5.289 9.071 ( 5.699 -7.514 0.252) 9.435 9.154 ( -1.075 1.078 -0.155) 1.531 9.302 ( -0.078 -6.740 2.754) 7.281 9.443 ( -2.938 -0.661 -3.585) 4.682 9.551 ( 0.672 1.755 0.877) 2.074 9.678 ( -6.513 -1.069 -4.764) 8.140 9.740 ( 2.596 -2.044 1.626) 3.683 9.820 ( 1.702 2.282 2.115) 3.546 9.977 ( -0.647 1.859 -3.054) 3.634 10.041 ( -7.626 0.394 1.576) 7.797 10.110 ( -8.335 2.257 0.000) 8.636 10.170 ( 7.004 0.118 3.282) 7.735 10.330 ( -1.728 5.121 0.368) 5.417 10.367 ( 3.306 -2.951 -2.278) 4.983 10.501 ( 5.514 -2.602 0.623) 6.129 10.538 ( 3.627 2.211 3.581) 5.556 10.608 ( 1.082 7.028 -1.400) 7.248 10.808 ( -0.495 -4.200 -2.240) 4.786 10.954 ( -5.763 2.251 -2.863) 6.817 11.073 ( -0.583 -3.250 -0.216) 3.309 11.193 ( -2.515 -0.988 1.265) 2.984 11.230 ( 1.227 1.905 0.223) 2.277 11.424 ( 0.569 -0.132 1.824) 1.916 11.464 ( -1.926 -2.871 7.752) 8.489 11.567 ( -2.720 3.895 3.101) 5.673 11.690 ( -6.079 -0.088 -1.771) 6.332 11.812 ( -0.588 0.603 -4.000) 4.087 11.858 ( -4.937 -1.720 6.000) 7.958 12.013 ( -2.702 -0.879 -4.670) 5.466 12.335 ( -6.770 1.147 3.442) 7.681 12.530 ( -6.185 -1.467 -3.248) 7.138 12.602 ( 1.529 0.189 -0.473) 1.612 12.668 ( -10.895 -1.940 -1.899) 11.228 12.881 ( -1.905 4.909 6.468) 8.341 12.919 ( -1.482 2.374 -6.033) 6.650 13.392 ( -2.430 -0.617 -0.252) 2.520 13.506 ( -2.137 -2.968 0.564) 3.701 13.704 ( 8.860 0.581 4.674) 10.034 13.756 ( 7.062 0.795 4.958) 8.665 13.914 ( 5.183 3.861 -0.837) 6.517 14.170 ( 3.362 -2.249 -2.572) 4.794 14.306 ( 10.666 -2.198 0.236) 10.893 14.415 ( 8.679 -1.186 0.320) 8.765 14.562 ( 15.048 2.913 -5.439) 16.264 14.761 ( 6.862 -2.163 -0.615) 7.221 14.780 ( 0.435 2.584 -1.095) 2.840 14.868 ( 9.774 0.570 8.547) 12.997 14.951 ( 3.490 -7.059 3.333) 8.551 15.028 ( 4.306 0.565 0.566) 4.379 15.065 ( 5.120 4.892 -3.424) 7.865 15.260 ( -1.383 -4.972 1.477) 5.368 15.512 ( -1.959 5.937 -0.757) 6.298 15.605 ( 1.967 5.789 -0.792) 6.165 15.959 ( -1.622 -8.747 0.231) 8.899 16.151 ( -0.476 -8.412 0.948) 8.479 16.278 ( 4.407 4.175 3.999) 7.270 16.446 ( 0.455 -0.407 -0.792) 1.000 16.617 ( 2.631 -2.466 1.118) 3.775 16.794 ( 3.846 -1.330 -0.887) 4.165 16.983 ( 8.444 2.780 -3.844) 9.685 17.113 ( 1.848 -0.378 0.340) 1.916 18.177 ( -4.532 0.412 -1.364) 4.751 18.233 ( -3.138 2.294 -0.122) 3.888 18.369 ( -5.177 -2.871 4.544) 7.463 18.489 ( -3.678 -5.487 -7.534) 10.019 18.965 ( -8.485 1.993 0.047) 8.716 19.111 ( -9.187 -1.398 -0.997) 9.346 19.268 ( -7.987 -0.041 -0.538) 8.005 19.396 ( -0.106 -5.593 -0.323) 5.603 24.924 ( 0.283 2.860 0.346) 2.895 25.160 ( 1.684 0.307 -0.544) 1.796 25.321 ( 7.783 -7.222 -0.085) 10.618 25.798 ( 10.994 -24.588 -0.517) 26.939 26.798 ( -2.070 2.627 0.647) 3.407 26.880 ( 0.017 1.152 -0.119) 1.158 26.964 ( -0.699 0.947 -1.523) 1.925 27.082 ( -2.344 2.197 4.338) 5.399 27.849 ( 0.218 8.951 -1.644) 9.103 27.998 ( 0.371 4.899 -5.150) 7.118 28.030 ( 2.062 5.479 0.224) 5.859 28.071 ( -1.900 4.658 4.153) 6.523 28.258 ( 1.728 4.994 -3.041) 6.097 28.481 ( 0.659 -2.208 5.160) 5.651 28.822 ( 2.988 4.385 -0.104) 5.308 28.919 ( 8.488 -3.365 2.298) 9.415 29.070 ( 9.857 3.398 1.155) 10.490 29.183 ( 12.782 -0.721 1.452) 12.884 29.282 ( -1.103 7.982 -5.819) 9.939 29.728 ( -5.017 1.324 -4.123) 6.627 29.803 ( -14.436 -4.606 -0.644) 15.166 30.057 ( -11.675 -4.655 -4.818) 13.461 30.145 ( -11.111 0.770 1.427) 11.229 30.241 ( -10.869 -0.592 5.857) 12.361 30.464 ( 0.828 2.561 -0.925) 2.846 30.711 ( 2.730 -2.860 -2.622) 4.744 30.868 ( 3.461 0.932 -0.163) 3.588 31.149 ( 2.551 -6.765 5.484) 9.075 ======================= Grid point 10 (8/54) ======================= q-point: ( 0.43 0.20 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 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 Number of triplets: 88 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.512 ( -8.749 8.940 0.938) 12.544 1.853 ( 7.981 7.687 -1.766) 11.221 2.004 ( -4.056 8.698 1.804) 9.765 2.323 ( 5.381 1.201 2.015) 5.870 2.401 ( 22.352 0.787 -1.194) 22.397 2.453 ( 2.723 4.393 -6.859) 8.588 2.531 ( -1.477 -3.117 4.753) 5.872 2.750 ( -0.599 15.685 -3.508) 16.084 2.914 ( 5.744 6.269 3.065) 9.038 2.931 ( -14.540 -2.270 -2.501) 14.927 3.114 ( 1.136 7.580 1.296) 7.774 3.293 ( -4.252 -2.271 -1.634) 5.090 3.340 ( -9.013 3.083 -0.368) 9.533 3.511 ( 0.060 5.393 -1.342) 5.557 3.596 ( -0.598 5.424 4.789) 7.260 3.716 ( 5.493 -5.072 0.928) 7.534 3.836 ( 1.071 4.102 -1.527) 4.506 3.928 ( 3.715 -1.200 8.691) 9.527 3.982 ( 9.806 -0.281 0.189) 9.812 4.065 ( -2.832 -1.151 -3.737) 4.828 4.168 ( 1.001 6.697 1.661) 6.972 4.195 ( -4.416 3.987 -8.941) 10.740 4.211 ( 3.701 -6.949 -2.974) 8.416 4.232 ( 2.868 -0.834 2.196) 3.707 4.356 ( -1.437 0.106 -0.439) 1.506 4.379 ( -2.224 0.502 -3.497) 4.175 4.421 ( -1.690 -0.635 0.422) 1.854 4.509 ( -4.820 2.689 -0.218) 5.523 4.584 ( -1.351 1.744 1.396) 2.610 4.612 ( 6.312 9.651 -2.778) 11.862 4.634 ( 10.465 4.571 2.912) 11.785 4.778 ( 12.204 0.869 9.470) 15.472 4.823 ( 9.100 -0.129 -3.791) 9.858 4.928 ( 2.600 0.868 0.865) 2.874 5.063 ( -6.607 -2.253 3.930) 8.011 5.101 ( 10.766 -1.929 6.245) 12.594 5.215 ( 0.055 2.553 -4.807) 5.443 5.344 ( 0.197 0.200 2.390) 2.406 5.390 ( 2.358 -1.360 -4.506) 5.264 5.415 ( -12.558 1.018 1.519) 12.690 5.459 ( -1.902 1.797 -1.649) 3.093 5.587 ( -4.166 2.534 4.454) 6.604 5.630 ( -0.312 -3.568 -5.298) 6.395 5.698 ( -6.701 -2.469 0.806) 7.187 5.833 ( 4.178 3.794 2.583) 6.207 5.891 ( 2.366 2.349 0.342) 3.351 5.990 ( 9.199 -8.131 -3.611) 12.797 6.070 ( -4.393 11.541 -0.780) 12.373 6.206 ( 3.969 -4.001 -5.991) 8.225 6.220 ( 1.927 -0.375 -1.740) 2.624 6.254 ( 3.037 -7.673 2.019) 8.496 6.287 ( -0.255 -4.306 3.269) 5.412 6.397 ( 8.581 -6.221 2.076) 10.800 6.564 ( -4.258 1.094 -0.911) 4.490 6.665 ( -1.281 -7.148 -0.313) 7.268 6.683 ( 2.190 0.095 0.050) 2.193 6.739 ( -2.249 -0.464 3.539) 4.218 6.835 ( -8.277 -4.549 -2.310) 9.722 6.894 ( -3.210 -2.545 -0.463) 4.122 7.032 ( 1.803 2.473 -1.462) 3.392 7.097 ( -1.300 -2.070 -6.869) 7.290 7.194 ( -8.507 -3.577 1.525) 9.354 7.229 ( -6.123 0.168 -1.162) 6.235 7.263 ( -3.623 -1.577 -0.367) 3.968 7.419 ( -0.902 -0.287 2.695) 2.856 7.479 ( -5.819 2.487 1.570) 6.520 7.575 ( 3.555 1.475 1.976) 4.326 7.752 ( -0.630 -2.446 -2.066) 3.263 7.808 ( -2.326 -3.505 2.920) 5.121 7.879 ( 1.153 6.222 -0.236) 6.333 8.058 ( -0.869 -3.028 0.898) 3.276 8.069 ( -0.458 -5.610 -0.866) 5.695 8.119 ( -1.598 0.715 -0.568) 1.841 8.376 ( 9.138 1.575 -0.144) 9.274 8.455 ( -1.186 -3.635 0.786) 3.903 8.467 ( 1.956 -0.402 -1.733) 2.645 8.544 ( 2.796 -1.264 4.164) 5.172 8.583 ( -2.647 0.445 1.020) 2.871 8.664 ( -0.156 -0.241 0.436) 0.522 8.717 ( -3.656 3.074 -3.210) 5.755 8.758 ( -5.642 0.067 -2.574) 6.202 8.935 ( 1.457 -1.338 3.789) 4.275 8.968 ( -2.128 2.335 -3.576) 4.771 9.088 ( 0.058 0.336 -0.634) 0.720 9.208 ( 2.881 -4.283 0.097) 5.163 9.286 ( -1.333 -5.540 0.991) 5.784 9.411 ( -0.288 -0.368 -0.455) 0.652 9.501 ( -4.149 3.231 0.373) 5.272 9.599 ( -0.343 -2.291 -2.774) 3.614 9.808 ( -0.499 2.119 0.769) 2.309 9.851 ( 2.782 -8.728 2.341) 9.455 9.914 ( -3.605 4.485 -0.421) 5.769 9.957 ( -0.662 0.772 -0.058) 1.019 10.036 ( -0.352 1.017 -1.610) 1.937 10.279 ( 3.271 0.339 2.844) 4.348 10.318 ( -0.595 3.489 -2.005) 4.068 10.428 ( 2.007 2.012 -0.302) 2.858 10.573 ( 2.457 3.637 3.333) 5.512 10.636 ( 5.104 -3.903 -1.417) 6.580 10.677 ( 4.418 0.941 -1.877) 4.891 10.807 ( 0.265 -3.537 -2.367) 4.264 10.846 ( -4.472 0.229 -0.773) 4.544 10.972 ( -6.466 -1.629 1.604) 6.859 11.185 ( 2.687 -2.604 2.230) 4.356 11.259 ( -1.229 0.481 1.846) 2.269 11.416 ( -1.779 0.509 -1.657) 2.484 11.491 ( 0.417 1.147 -0.091) 1.224 11.519 ( 0.529 4.009 6.344) 7.523 11.579 ( -3.281 2.701 -5.780) 7.174 11.755 ( -2.750 -4.300 3.331) 6.095 11.816 ( 0.305 6.786 -1.817) 7.032 12.018 ( 0.869 -1.838 -2.336) 3.097 12.236 ( -1.485 -4.126 8.430) 9.503 12.355 ( -9.541 -5.482 -6.715) 12.891 12.506 ( -2.760 3.314 -0.250) 4.320 12.694 ( 3.475 -3.469 0.259) 4.917 12.861 ( -0.233 1.520 3.911) 4.203 12.900 ( -0.498 3.001 -4.347) 5.306 13.359 ( -1.032 0.097 0.685) 1.242 13.386 ( -5.757 -0.584 -0.748) 5.834 13.798 ( 2.345 1.593 0.610) 2.900 13.859 ( 2.758 0.031 3.682) 4.601 14.016 ( 2.900 3.399 -1.114) 4.604 14.208 ( 0.751 -0.983 -1.223) 1.739 14.510 ( 7.321 -2.059 0.574) 7.626 14.547 ( 3.944 -1.672 -0.287) 4.294 14.785 ( 2.624 -0.057 -2.337) 3.515 14.810 ( 5.814 3.953 -2.408) 7.431 14.856 ( 2.889 -1.082 -1.524) 3.441 14.930 ( -0.603 -5.876 7.398) 9.467 15.075 ( 4.459 1.502 2.513) 5.334 15.096 ( 2.429 0.562 -1.083) 2.718 15.196 ( 4.425 1.090 -4.902) 6.694 15.225 ( 1.553 -0.458 3.874) 4.199 15.409 ( -6.805 6.968 -0.913) 9.783 15.672 ( 2.630 2.527 -0.255) 3.656 15.927 ( -1.019 -8.737 -0.962) 8.849 16.131 ( -0.948 -8.360 0.746) 8.447 16.359 ( 2.760 4.941 1.670) 5.901 16.471 ( 1.495 -0.567 -0.731) 1.758 16.655 ( 0.965 -2.760 0.888) 3.055 16.832 ( 0.446 0.457 -0.378) 0.742 17.072 ( -0.087 6.767 -2.707) 7.289 17.156 ( 3.753 0.293 1.433) 4.029 18.088 ( -3.416 1.854 -0.809) 3.970 18.173 ( -2.100 2.944 -0.284) 3.628 18.285 ( -2.716 -1.872 2.621) 4.213 18.430 ( -1.740 -3.523 -1.585) 4.237 18.837 ( -3.811 1.689 0.045) 4.169 18.973 ( -4.010 -1.328 -0.648) 4.274 19.155 ( -3.087 0.356 -0.353) 3.128 19.395 ( -0.043 -6.145 -0.379) 6.157 24.935 ( 0.433 2.881 0.160) 2.917 25.186 ( 0.781 1.479 -0.245) 1.691 25.432 ( 3.134 -10.350 -0.052) 10.815 25.935 ( 3.436 -23.183 -0.171) 23.436 26.768 ( -0.903 5.226 0.300) 5.312 26.886 ( 0.332 2.509 -0.225) 2.541 26.951 ( -0.429 0.850 -0.766) 1.221 27.050 ( -0.997 2.409 1.881) 3.215 27.854 ( 0.244 9.894 -0.836) 9.932 28.008 ( 0.703 7.125 -3.609) 8.018 28.034 ( -1.128 -0.433 2.508) 2.784 28.074 ( 1.231 11.402 1.089) 11.520 28.266 ( -0.308 5.241 -1.411) 5.436 28.471 ( -0.933 0.427 2.479) 2.683 28.896 ( 3.359 0.266 -0.742) 3.450 29.104 ( 7.924 -3.164 1.008) 8.592 29.193 ( 4.463 1.606 -1.496) 4.973 29.387 ( 2.633 -1.684 1.953) 3.686 29.415 ( 10.294 0.906 4.493) 11.268 29.555 ( -5.409 -2.895 -2.820) 6.752 29.657 ( -2.140 0.309 -8.776) 9.039 29.817 ( -11.547 -2.399 1.487) 11.886 29.962 ( -5.311 -1.357 -2.563) 6.051 30.015 ( -10.205 -1.278 6.034) 11.924 30.489 ( 0.984 1.974 -0.221) 2.217 30.744 ( 0.829 -4.016 -0.643) 4.151 30.918 ( 1.410 2.061 0.215) 2.506 31.184 ( 0.882 -4.791 1.178) 5.012 ======================= Grid point 14 (9/54) ======================= q-point: ( 0.00 0.40 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 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 Number of triplets: 54 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.497 ( 0.000 33.382 0.000) 33.382 1.532 ( 0.000 36.629 0.000) 36.629 1.870 ( 0.000 12.708 0.000) 12.708 2.106 ( 0.000 -14.648 0.000) 14.648 2.216 ( 0.000 -7.978 0.000) 7.978 2.240 ( 0.000 -29.331 0.000) 29.331 2.538 ( 0.000 -1.446 0.000) 1.446 2.539 ( 0.000 -0.594 0.000) 0.594 2.922 ( 0.000 3.001 0.000) 3.001 2.935 ( 0.000 1.756 0.000) 1.756 3.230 ( 0.000 17.515 0.000) 17.515 3.239 ( 0.000 11.257 0.000) 11.257 3.285 ( 0.000 20.385 0.000) 20.385 3.469 ( 0.000 -8.361 0.000) 8.361 3.712 ( 0.000 5.542 0.000) 5.542 3.728 ( 0.000 3.564 0.000) 3.564 3.803 ( 0.000 0.210 0.000) 0.210 3.820 ( 0.000 0.395 0.000) 0.395 3.834 ( 0.000 7.527 0.000) 7.527 3.975 ( 0.000 4.936 0.000) 4.936 3.991 ( 0.000 3.961 0.000) 3.961 4.126 ( 0.000 -1.790 0.000) 1.790 4.176 ( 0.000 5.116 0.000) 5.116 4.180 ( 0.000 0.621 0.000) 0.621 4.206 ( 0.000 -2.842 0.000) 2.842 4.277 ( 0.000 2.938 0.000) 2.938 4.300 ( 0.000 1.853 0.000) 1.853 4.346 ( 0.000 -14.770 0.000) 14.770 4.422 ( 0.000 -10.540 0.000) 10.540 4.437 ( 0.000 -10.738 0.000) 10.738 4.680 ( 0.000 3.793 0.000) 3.793 4.704 ( 0.000 -4.158 0.000) 4.158 4.854 ( 0.000 4.885 0.000) 4.885 4.963 ( 0.000 1.082 0.000) 1.082 5.052 ( 0.000 -3.583 0.000) 3.583 5.052 ( 0.000 -8.116 0.000) 8.116 5.092 ( 0.000 -1.500 0.000) 1.500 5.108 ( 0.000 -3.908 0.000) 3.908 5.229 ( 0.000 9.185 0.000) 9.185 5.368 ( 0.000 -1.159 0.000) 1.159 5.401 ( 0.000 -1.263 0.000) 1.263 5.418 ( 0.000 -2.995 0.000) 2.995 5.534 ( 0.000 2.606 0.000) 2.606 5.624 ( 0.000 -3.973 0.000) 3.973 5.842 ( 0.000 5.032 0.000) 5.032 5.874 ( 0.000 0.780 0.000) 0.780 6.096 ( 0.000 7.058 0.000) 7.058 6.203 ( 0.000 -2.248 0.000) 2.248 6.274 ( 0.000 5.028 0.000) 5.028 6.365 ( 0.000 2.203 0.000) 2.203 6.473 ( 0.000 9.740 0.000) 9.740 6.535 ( 0.000 -6.223 0.000) 6.223 6.543 ( 0.000 -3.802 0.000) 3.802 6.648 ( 0.000 5.817 0.000) 5.817 6.715 ( 0.000 -11.473 0.000) 11.473 6.780 ( 0.000 -0.171 0.000) 0.171 6.820 ( 0.000 -2.092 0.000) 2.092 6.836 ( 0.000 -3.126 0.000) 3.126 6.921 ( 0.000 -1.977 0.000) 1.977 6.961 ( 0.000 -6.808 0.000) 6.808 7.229 ( 0.000 -2.546 0.000) 2.546 7.235 ( 0.000 -4.924 0.000) 4.924 7.424 ( 0.000 1.787 0.000) 1.787 7.476 ( 0.000 -1.395 0.000) 1.395 7.610 ( 0.000 6.775 0.000) 6.775 7.733 ( 0.000 -1.416 0.000) 1.416 7.816 ( 0.000 -1.037 0.000) 1.037 7.874 ( 0.000 -3.850 0.000) 3.850 7.938 ( 0.000 3.078 0.000) 3.078 7.963 ( 0.000 0.628 0.000) 0.628 8.021 ( 0.000 0.462 0.000) 0.462 8.075 ( 0.000 1.113 0.000) 1.113 8.078 ( 0.000 -0.700 0.000) 0.700 8.095 ( 0.000 -5.370 0.000) 5.370 8.217 ( 0.000 5.236 0.000) 5.236 8.338 ( 0.000 -5.188 0.000) 5.188 8.446 ( 0.000 2.671 0.000) 2.671 8.581 ( 0.000 -9.989 0.000) 9.989 8.727 ( 0.000 4.610 0.000) 4.610 8.745 ( 0.000 4.110 0.000) 4.110 8.813 ( 0.000 -0.382 0.000) 0.382 8.829 ( 0.000 -5.126 0.000) 5.126 8.986 ( 0.000 3.843 0.000) 3.843 9.026 ( 0.000 1.872 0.000) 1.872 9.087 ( 0.000 -3.092 0.000) 3.092 9.145 ( 0.000 -8.707 0.000) 8.707 9.440 ( 0.000 3.757 0.000) 3.757 9.531 ( 0.000 -4.693 0.000) 4.693 9.862 ( 0.000 7.141 0.000) 7.141 9.913 ( 0.000 7.074 0.000) 7.074 9.962 ( 0.000 -0.437 0.000) 0.437 10.068 ( 0.000 8.604 0.000) 8.604 10.088 ( 0.000 -7.440 0.000) 7.440 10.164 ( 0.000 3.860 0.000) 3.860 10.193 ( 0.000 -4.404 0.000) 4.404 10.264 ( 0.000 -5.450 0.000) 5.450 10.533 ( 0.000 0.071 0.000) 0.071 10.540 ( 0.000 0.139 0.000) 0.139 10.625 ( 0.000 3.404 0.000) 3.404 10.694 ( 0.000 -2.477 0.000) 2.477 10.827 ( 0.000 0.484 0.000) 0.484 10.866 ( 0.000 -3.321 0.000) 3.321 11.148 ( 0.000 0.970 0.000) 0.970 11.166 ( 0.000 -0.378 0.000) 0.378 11.314 ( 0.000 6.515 0.000) 6.515 11.443 ( 0.000 -6.591 0.000) 6.591 11.540 ( 0.000 0.247 0.000) 0.247 11.582 ( 0.000 -3.412 0.000) 3.412 11.895 ( 0.000 4.412 0.000) 4.412 11.919 ( 0.000 0.668 0.000) 0.668 11.974 ( 0.000 3.330 0.000) 3.330 12.107 ( 0.000 -8.145 0.000) 8.145 12.675 ( 0.000 5.437 0.000) 5.437 12.753 ( 0.000 3.051 0.000) 3.051 12.768 ( 0.000 -3.473 0.000) 3.473 12.788 ( 0.000 -0.519 0.000) 0.519 12.908 ( 0.000 3.133 0.000) 3.133 12.976 ( 0.000 -3.549 0.000) 3.549 13.242 ( 0.000 0.165 0.000) 0.165 13.245 ( 0.000 -0.710 0.000) 0.710 13.468 ( 0.000 6.495 0.000) 6.495 13.594 ( 0.000 -5.621 0.000) 5.621 13.861 ( 0.000 -0.594 0.000) 0.594 13.893 ( 0.000 -4.338 0.000) 4.338 13.992 ( 0.000 4.043 0.000) 4.043 14.064 ( 0.000 -3.112 0.000) 3.112 14.339 ( 0.000 11.221 0.000) 11.221 14.513 ( 0.000 -5.324 0.000) 5.324 14.801 ( 0.000 1.236 0.000) 1.236 14.840 ( 0.000 5.878 0.000) 5.878 14.852 ( 0.000 -1.975 0.000) 1.975 14.931 ( 0.000 -3.081 0.000) 3.081 15.017 ( 0.000 -0.696 0.000) 0.696 15.071 ( 0.000 -2.662 0.000) 2.662 15.599 ( 0.000 5.326 0.000) 5.326 15.656 ( 0.000 -1.033 0.000) 1.033 15.907 ( 0.000 -1.243 0.000) 1.243 15.984 ( 0.000 -8.454 0.000) 8.454 16.203 ( 0.000 5.365 0.000) 5.365 16.237 ( 0.000 2.827 0.000) 2.827 16.403 ( 0.000 -3.002 0.000) 3.002 16.429 ( 0.000 -4.669 0.000) 4.669 16.853 ( 0.000 2.664 0.000) 2.664 16.858 ( 0.000 2.235 0.000) 2.235 18.273 ( 0.000 0.271 0.000) 0.271 18.276 ( 0.000 -0.050 0.000) 0.050 18.437 ( 0.000 3.566 0.000) 3.566 18.519 ( 0.000 -4.641 0.000) 4.641 19.238 ( 0.000 2.495 0.000) 2.495 19.293 ( 0.000 -2.851 0.000) 2.851 19.477 ( 0.000 1.387 0.000) 1.387 19.496 ( 0.000 -0.562 0.000) 0.562 25.011 ( 0.000 1.073 0.000) 1.073 25.031 ( 0.000 -0.916 0.000) 0.916 25.117 ( 0.000 0.611 0.000) 0.611 25.129 ( 0.000 -0.614 0.000) 0.614 26.840 ( 0.000 0.054 0.000) 0.054 26.860 ( 0.000 -2.175 0.000) 2.175 27.010 ( 0.000 3.342 0.000) 3.342 27.090 ( 0.000 -4.554 0.000) 4.554 27.967 ( 0.000 2.014 0.000) 2.014 27.993 ( 0.000 0.820 0.000) 0.820 28.091 ( 0.000 3.969 0.000) 3.969 28.142 ( 0.000 -0.448 0.000) 0.448 28.252 ( 0.000 5.485 0.000) 5.485 28.344 ( 0.000 -3.333 0.000) 3.333 28.710 ( 0.000 0.481 0.000) 0.481 28.739 ( 0.000 -2.335 0.000) 2.335 28.854 ( 0.000 2.023 0.000) 2.023 28.883 ( 0.000 -0.705 0.000) 0.705 29.923 ( 0.000 6.826 0.000) 6.826 30.084 ( 0.000 -8.438 0.000) 8.438 30.165 ( 0.000 2.574 0.000) 2.574 30.230 ( 0.000 -4.257 0.000) 4.257 30.399 ( 0.000 0.020 0.000) 0.020 30.404 ( 0.000 -0.543 0.000) 0.543 30.488 ( 0.000 0.279 0.000) 0.279 30.498 ( 0.000 -0.841 0.000) 0.841 30.845 ( 0.000 0.196 0.000) 0.196 30.848 ( 0.000 0.018 0.000) 0.018 ======================= Grid point 15 (10/54) ======================= q-point: ( 0.14 0.40 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 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 Number of triplets: 88 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.482 ( 2.809 25.142 14.943) 29.382 1.702 ( 18.358 27.070 -4.892) 33.072 1.925 ( -9.130 -13.213 8.021) 17.952 2.249 ( 16.329 -14.525 6.166) 22.708 2.371 ( 23.047 7.551 -2.296) 24.361 2.458 ( 4.826 -1.980 -7.931) 9.493 2.549 ( 1.641 -2.993 -9.544) 10.136 2.637 ( 3.636 -9.183 -0.602) 9.895 2.843 ( -0.090 3.473 -0.983) 3.611 2.896 ( -3.325 -2.677 -2.543) 4.969 3.074 ( -7.089 19.064 4.510) 20.833 3.299 ( 5.051 17.205 -1.386) 17.984 3.354 ( 7.487 18.726 -0.533) 20.174 3.410 ( -5.321 -11.227 5.777) 13.701 3.621 ( 0.947 3.692 0.617) 3.861 3.677 ( 1.901 2.983 0.820) 3.631 3.815 ( -0.402 -1.113 3.383) 3.584 3.851 ( -2.183 6.475 -0.552) 6.855 3.905 ( 2.259 7.217 -5.585) 9.401 4.025 ( -1.873 3.285 12.113) 12.689 4.040 ( 4.501 -2.543 0.899) 5.247 4.135 ( 2.449 -2.436 9.039) 9.677 4.206 ( -0.875 2.128 -1.721) 2.873 4.231 ( 2.798 2.459 -3.577) 5.164 4.277 ( 3.714 -2.535 0.069) 4.497 4.328 ( 7.048 -0.170 -8.342) 10.922 4.379 ( 6.070 -4.559 -5.960) 9.651 4.399 ( 5.271 -2.119 -2.851) 6.356 4.448 ( 10.825 -5.689 1.152) 12.283 4.579 ( 8.012 -8.380 -3.431) 12.091 4.658 ( -0.735 3.112 -4.151) 5.239 4.718 ( 0.548 -1.627 -0.988) 1.981 4.912 ( 5.227 0.752 -0.172) 5.283 4.950 ( -4.013 -0.371 0.252) 4.038 4.975 ( -7.397 -0.380 1.440) 7.545 4.996 ( -6.307 -1.223 0.695) 6.462 5.024 ( -3.355 -5.880 -0.490) 6.787 5.104 ( 2.335 -7.289 0.125) 7.655 5.247 ( 1.967 9.689 2.628) 10.230 5.321 ( -1.430 3.761 -3.385) 5.258 5.336 ( -4.928 -1.048 1.950) 5.402 5.517 ( 7.869 -9.452 -2.429) 12.536 5.630 ( 4.604 1.808 8.120) 9.508 5.647 ( 6.775 -1.168 1.289) 6.995 5.792 ( -0.559 5.665 -3.841) 6.868 5.865 ( -2.847 1.048 4.190) 5.173 6.117 ( -2.008 4.764 1.901) 5.508 6.163 ( -8.731 1.832 0.776) 8.954 6.284 ( 0.184 5.484 -2.160) 5.897 6.328 ( -4.842 10.950 1.968) 12.134 6.381 ( 0.262 -0.228 0.771) 0.846 6.429 ( -7.034 -3.187 0.019) 7.722 6.484 ( -6.164 -4.682 -5.301) 9.382 6.532 ( -7.901 -8.388 -0.241) 11.526 6.694 ( -1.950 -1.568 5.595) 6.129 6.768 ( -0.303 0.335 -4.626) 4.648 6.794 ( -2.354 -4.355 -1.617) 5.208 6.822 ( 0.205 -6.802 6.418) 9.354 6.877 ( -9.743 -0.998 -6.526) 11.769 6.926 ( -4.456 -4.011 -4.968) 7.786 7.198 ( 2.822 5.662 5.594) 8.445 7.262 ( 2.505 -1.124 2.055) 3.430 7.394 ( -4.544 0.330 0.343) 4.569 7.486 ( 1.718 -6.581 5.619) 8.822 7.604 ( -3.350 4.128 -4.743) 7.124 7.709 ( -6.524 -6.038 -6.398) 10.953 7.795 ( -2.463 2.244 0.135) 3.335 7.796 ( -0.514 4.497 0.625) 4.570 7.909 ( -8.187 1.403 0.960) 8.361 7.936 ( 0.256 -2.962 3.421) 4.533 8.003 ( -1.243 1.535 -1.835) 2.696 8.071 ( 1.572 1.006 -2.674) 3.261 8.130 ( 3.392 -1.447 -1.842) 4.122 8.176 ( 5.054 -3.129 1.319) 6.089 8.358 ( 8.747 2.944 -4.282) 10.174 8.416 ( 1.855 -1.622 -1.267) 2.770 8.420 ( 0.627 0.323 2.072) 2.189 8.544 ( -0.344 -11.288 -6.912) 13.240 8.713 ( -3.021 1.260 1.287) 3.517 8.730 ( 1.420 -0.521 3.928) 4.209 8.819 ( 3.567 2.263 3.086) 5.231 8.878 ( 1.577 -1.196 -1.155) 2.292 8.980 ( -0.962 2.856 -0.156) 3.017 9.039 ( 1.265 4.934 -0.222) 5.098 9.098 ( 1.201 -5.926 4.767) 7.700 9.151 ( 0.313 -7.262 -1.770) 7.481 9.465 ( 2.146 2.019 -3.239) 4.379 9.523 ( -1.035 -3.026 -3.541) 4.771 9.812 ( -5.301 5.677 -0.382) 7.777 9.858 ( -5.347 1.276 2.097) 5.883 9.974 ( -6.106 5.731 -0.252) 8.378 10.008 ( -0.785 -0.047 0.152) 0.801 10.048 ( 1.473 0.876 1.494) 2.273 10.118 ( -3.354 -4.431 0.817) 5.618 10.280 ( 3.409 0.107 -1.409) 3.690 10.306 ( 6.008 -2.277 1.564) 6.613 10.400 ( -10.298 1.688 1.332) 10.520 10.432 ( -5.980 -1.714 1.491) 6.397 10.605 ( -1.947 5.266 1.178) 5.737 10.677 ( -1.717 -1.420 0.747) 2.350 10.854 ( -0.235 3.860 -0.392) 3.887 10.938 ( 6.178 -3.467 -1.103) 7.170 11.122 ( -2.575 2.787 -3.504) 5.165 11.169 ( -0.096 -2.228 -3.429) 4.091 11.298 ( -1.635 4.214 2.748) 5.290 11.414 ( -3.018 -6.068 -0.610) 6.804 11.495 ( -3.732 1.136 2.840) 4.826 11.556 ( -0.414 -3.813 1.018) 3.968 11.786 ( -7.097 1.810 4.450) 8.570 11.836 ( -6.229 -2.292 0.709) 6.675 11.949 ( -2.315 5.044 0.885) 5.620 12.060 ( -3.840 -5.469 -0.152) 6.684 12.609 ( -8.454 5.805 -5.898) 11.831 12.632 ( -3.924 4.212 -2.778) 6.392 12.668 ( -6.287 -0.004 -4.428) 7.690 12.750 ( -3.819 -5.553 -6.280) 9.212 13.021 ( 2.160 4.932 4.168) 6.809 13.063 ( -2.459 0.656 4.669) 5.317 13.321 ( 7.299 0.162 -2.852) 7.838 13.396 ( -3.959 -6.144 -1.930) 7.559 13.488 ( 11.790 3.212 9.895) 15.724 13.541 ( 13.930 -2.112 10.765) 17.731 13.968 ( 3.071 2.643 0.606) 4.097 14.019 ( 5.823 -2.856 2.514) 6.956 14.099 ( 9.078 -0.386 -0.400) 9.095 14.140 ( 8.821 -3.680 -3.993) 10.358 14.403 ( 8.127 8.732 -0.803) 11.956 14.565 ( 5.865 -6.583 -1.051) 8.880 14.740 ( -1.667 2.222 1.235) 3.040 14.786 ( 0.485 -3.069 -1.740) 3.561 14.891 ( 1.430 5.832 0.532) 6.029 14.964 ( 2.285 -1.353 -0.775) 2.766 15.063 ( 3.900 2.426 0.279) 4.601 15.142 ( 3.369 -4.786 5.413) 7.973 15.639 ( 2.208 5.407 3.929) 7.039 15.668 ( 0.996 1.010 -3.958) 4.204 15.860 ( -1.816 -0.415 -0.063) 1.864 15.983 ( -0.966 -9.879 0.446) 9.936 16.284 ( 5.209 6.438 1.926) 8.503 16.399 ( 1.378 -4.202 -0.321) 4.433 16.469 ( 10.666 -2.177 0.393) 10.893 16.504 ( 11.696 -5.349 -2.820) 13.166 16.910 ( 5.393 2.543 -2.910) 6.635 16.925 ( 7.625 0.888 -4.633) 8.966 18.259 ( -1.507 0.971 -0.108) 1.796 18.275 ( -0.275 -0.563 1.032) 1.207 18.406 ( -2.935 1.844 -1.263) 3.689 18.468 ( -4.582 -4.170 -0.703) 6.235 19.172 ( -6.450 2.867 -0.120) 7.060 19.232 ( -6.207 -3.115 0.139) 6.946 19.408 ( -5.709 0.772 0.274) 5.767 19.421 ( -6.892 -0.470 0.055) 6.908 24.998 ( -0.133 3.691 0.296) 3.705 25.079 ( 3.753 -4.312 0.176) 5.719 25.144 ( 3.270 2.946 -0.189) 4.406 25.242 ( 8.967 -7.128 -0.054) 11.455 26.846 ( 0.700 1.105 0.010) 1.308 26.872 ( 1.117 -1.372 0.215) 1.782 27.005 ( -0.534 2.925 -0.243) 2.983 27.079 ( -1.098 -4.151 1.765) 4.643 27.971 ( 0.415 2.485 -2.372) 3.460 28.000 ( 0.645 -0.129 -0.055) 0.661 28.102 ( 1.268 6.259 -1.063) 6.474 28.184 ( 3.432 -0.375 0.281) 3.464 28.266 ( 1.578 5.059 1.051) 5.402 28.363 ( 1.736 -4.214 2.026) 4.988 28.751 ( 4.216 0.619 -0.006) 4.261 28.784 ( 3.940 -2.287 -0.255) 4.563 28.929 ( 7.463 1.928 0.944) 7.766 28.957 ( 7.664 -0.829 0.249) 7.713 29.802 ( -13.980 7.566 -0.639) 15.909 29.934 ( -10.976 -2.231 1.606) 11.315 29.989 ( -13.178 4.295 -5.036) 14.747 30.138 ( -8.992 -7.054 -2.543) 11.708 30.317 ( -4.122 0.687 1.913) 4.596 30.336 ( -2.790 -0.983 1.276) 3.222 30.567 ( -0.517 2.044 -1.871) 2.820 30.599 ( 3.872 -1.427 -3.498) 5.410 30.829 ( 2.005 2.204 -1.515) 3.342 30.905 ( 4.651 -5.793 8.147) 11.025 ======================= Grid point 16 (11/54) ======================= q-point: ( 0.29 0.40 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 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 Number of triplets: 88 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.674 ( 13.740 7.563 9.271) 18.219 1.786 ( -2.588 -3.702 3.948) 5.999 2.119 ( 17.917 18.328 -4.984) 26.111 2.338 ( -7.650 3.789 -2.803) 8.986 2.416 ( -4.756 2.378 -0.969) 5.405 2.474 ( -1.597 3.300 -4.782) 6.026 2.557 ( -7.777 -2.503 8.609) 11.868 2.679 ( 12.594 -15.144 -4.693) 20.248 2.973 ( 3.181 2.587 -7.086) 8.187 3.050 ( 12.816 -3.344 -1.121) 13.293 3.081 ( 3.230 12.143 -0.947) 12.601 3.309 ( -4.915 -9.887 1.212) 11.107 3.448 ( 10.624 14.697 2.163) 18.264 3.532 ( 8.671 6.807 3.761) 11.648 3.680 ( -3.480 1.595 3.511) 5.195 3.771 ( 1.831 -1.436 -6.802) 7.189 3.807 ( 3.887 7.493 0.769) 8.476 3.885 ( 2.185 3.355 3.215) 5.135 3.933 ( 4.035 6.767 6.402) 10.152 3.995 ( 2.414 4.595 6.810) 8.562 4.125 ( 1.962 1.023 0.138) 2.217 4.169 ( -0.282 -1.551 -10.900) 11.014 4.196 ( 4.007 1.229 0.215) 4.196 4.281 ( 2.930 -5.244 0.687) 6.046 4.370 ( 4.303 4.956 1.160) 6.665 4.416 ( 0.472 -1.579 -1.585) 2.287 4.440 ( 1.652 1.013 -2.116) 2.869 4.494 ( 1.490 1.441 1.104) 2.349 4.559 ( -4.136 0.222 4.191) 5.892 4.597 ( 9.987 -5.282 5.095) 12.394 4.657 ( -3.459 0.277 -0.829) 3.568 4.765 ( -0.923 -3.411 -0.867) 3.638 4.839 ( -6.508 1.207 -1.720) 6.839 4.863 ( -1.338 3.290 -6.904) 7.764 4.933 ( 6.659 0.468 -0.950) 6.743 5.067 ( 8.342 4.042 -1.382) 9.372 5.118 ( 12.859 -9.512 -2.646) 16.212 5.226 ( 9.805 -7.454 -1.668) 12.429 5.263 ( 2.969 5.157 5.423) 8.051 5.332 ( 5.033 -3.493 2.665) 6.681 5.396 ( 4.531 5.792 -0.247) 7.358 5.616 ( -2.052 7.296 -1.327) 7.695 5.642 ( 2.181 -12.288 -1.058) 12.524 5.749 ( -6.215 -1.146 1.864) 6.589 5.838 ( 5.735 5.304 6.728) 10.310 5.893 ( 0.873 0.056 0.228) 0.904 5.951 ( -6.414 -0.657 0.004) 6.447 5.967 ( -2.971 0.659 1.212) 3.276 6.224 ( -7.074 -0.678 0.374) 7.117 6.268 ( -5.697 -0.915 2.059) 6.126 6.286 ( -3.968 1.235 -4.578) 6.183 6.350 ( -7.498 -1.101 1.598) 7.745 6.435 ( -2.164 2.942 1.775) 4.061 6.485 ( 4.075 -2.338 -2.547) 5.344 6.614 ( -2.705 -1.123 -4.945) 5.748 6.674 ( -5.678 -1.454 -1.198) 5.982 6.727 ( -3.161 0.116 -3.513) 4.727 6.806 ( 1.278 -1.417 -1.031) 2.169 6.824 ( 0.118 -5.606 8.492) 10.176 6.913 ( 3.842 -7.855 -3.486) 9.413 7.172 ( -3.748 5.172 -7.767) 10.056 7.267 ( -3.316 -3.610 -4.273) 6.503 7.372 ( -1.139 5.214 7.261) 9.012 7.443 ( -13.553 -1.062 -1.591) 13.687 7.528 ( -1.731 1.734 0.684) 2.544 7.618 ( 2.756 -5.106 1.771) 6.067 7.632 ( -9.919 1.408 -1.267) 10.099 7.689 ( -9.700 -2.525 -2.703) 10.381 7.844 ( -3.747 1.718 3.273) 5.264 7.913 ( 1.081 0.741 4.697) 4.876 7.970 ( -3.153 -1.767 -1.497) 3.912 8.077 ( -1.839 -5.879 -0.214) 6.164 8.170 ( 0.548 4.674 -0.500) 4.732 8.251 ( 3.978 -1.163 -1.884) 4.553 8.436 ( 0.982 0.337 1.010) 1.449 8.445 ( 4.624 2.618 2.380) 5.822 8.459 ( 1.571 0.773 -3.467) 3.885 8.582 ( 0.414 -7.061 -1.715) 7.278 8.674 ( -0.173 4.406 0.850) 4.490 8.782 ( 1.864 -3.335 -2.317) 4.468 8.858 ( -1.065 -1.373 -4.118) 4.470 8.867 ( -2.426 -3.171 -0.794) 4.071 9.000 ( 3.425 3.595 4.625) 6.786 9.048 ( -0.533 2.975 -0.765) 3.117 9.132 ( 1.517 -3.239 3.062) 4.708 9.167 ( 1.683 -5.632 1.267) 6.013 9.475 ( -1.608 2.656 -5.777) 6.559 9.524 ( 2.161 -2.463 -4.021) 5.187 9.715 ( -5.590 1.228 3.740) 6.837 9.720 ( -5.926 1.004 2.832) 6.644 9.856 ( -3.107 2.370 1.083) 4.055 9.939 ( -5.292 -5.038 0.598) 7.331 10.080 ( -0.684 4.118 -0.491) 4.203 10.147 ( 1.512 -2.340 0.842) 2.910 10.211 ( -3.327 6.075 0.230) 6.930 10.319 ( 0.460 -3.804 -0.126) 3.833 10.400 ( 2.991 2.164 -0.137) 3.694 10.440 ( 6.466 -2.219 -0.368) 6.846 10.605 ( 1.979 3.415 2.106) 4.474 10.658 ( 0.088 -1.779 -0.034) 1.781 10.836 ( -1.904 6.412 -1.683) 6.897 10.955 ( -3.945 -4.303 -2.302) 6.275 11.062 ( -3.971 3.656 -3.052) 6.201 11.136 ( -2.574 -3.310 -2.688) 4.981 11.291 ( 1.966 3.883 1.291) 4.539 11.382 ( 0.761 -4.456 2.702) 5.267 11.447 ( -1.753 3.263 7.214) 8.110 11.584 ( 1.840 -7.544 5.124) 9.303 11.670 ( -4.211 3.155 0.986) 5.354 11.750 ( -3.351 -4.344 -0.372) 5.499 11.900 ( -1.743 4.596 -0.176) 4.919 11.979 ( -3.255 -2.869 -2.241) 4.883 12.411 ( -12.469 5.296 -3.331) 13.950 12.492 ( -10.585 -2.635 -6.010) 12.454 12.607 ( -0.374 0.544 -1.495) 1.634 12.629 ( -5.562 -1.732 -2.064) 6.181 12.949 ( -4.691 2.220 3.074) 6.032 12.966 ( -3.356 1.011 1.656) 3.877 13.390 ( 0.111 0.970 -0.647) 1.171 13.436 ( 0.117 -3.431 -1.050) 3.590 13.738 ( 9.513 2.427 7.780) 12.526 13.770 ( 7.352 -0.228 7.411) 10.442 14.012 ( 4.542 5.562 -1.339) 7.305 14.109 ( 4.423 -3.953 -2.325) 6.372 14.285 ( 10.682 0.593 -0.197) 10.701 14.341 ( 10.337 -4.537 -0.649) 11.308 14.623 ( 10.960 2.488 -3.232) 11.695 14.691 ( 5.204 -4.454 1.462) 7.004 14.805 ( 6.010 0.856 1.909) 6.364 14.854 ( 5.186 -2.216 2.018) 5.990 14.953 ( 6.511 6.094 0.344) 8.924 15.029 ( 5.023 -0.353 0.006) 5.035 15.139 ( 3.986 1.576 -1.608) 4.577 15.182 ( 1.206 -2.955 4.390) 5.428 15.625 ( -3.365 4.391 -0.564) 5.561 15.679 ( -1.214 -0.026 -2.585) 2.856 15.848 ( 0.340 0.915 -0.593) 1.142 15.967 ( -0.426 -8.903 -1.299) 9.007 16.364 ( 3.503 3.681 1.517) 5.304 16.420 ( 1.346 -2.207 0.618) 2.658 16.615 ( 5.883 3.268 3.079) 7.401 16.721 ( 7.002 -5.883 1.236) 9.228 17.045 ( 7.505 3.102 -4.575) 9.321 17.093 ( 7.174 -1.700 -4.596) 8.688 18.208 ( -3.438 2.620 0.623) 4.367 18.259 ( -1.487 -1.192 1.737) 2.579 18.326 ( -4.993 0.603 0.468) 5.051 18.386 ( -3.033 -4.452 -2.692) 6.022 19.015 ( -8.658 2.933 -0.529) 9.157 19.071 ( -9.052 -2.565 -0.865) 9.448 19.275 ( -6.895 0.916 0.078) 6.956 19.311 ( -3.673 -2.919 0.552) 4.724 25.010 ( 1.048 5.904 0.367) 6.008 25.154 ( 3.631 -8.230 0.369) 9.003 25.220 ( 3.842 5.796 -0.376) 6.964 25.415 ( 7.817 -14.230 -0.300) 16.238 26.865 ( 1.111 3.304 0.068) 3.487 26.898 ( 1.470 0.029 -0.152) 1.479 26.990 ( -0.964 2.133 -0.293) 2.359 27.053 ( -1.531 -3.575 2.294) 4.515 27.984 ( 1.088 2.584 -2.866) 4.009 28.015 ( 0.757 -0.965 -0.450) 1.306 28.123 ( 0.296 9.422 -0.439) 9.437 28.248 ( 3.110 1.676 1.642) 3.896 28.314 ( 2.862 3.728 -1.242) 4.861 28.418 ( 3.984 -4.298 3.294) 6.723 28.866 ( 5.418 0.221 -0.395) 5.437 28.871 ( 6.421 -1.065 1.494) 6.678 29.126 ( 11.659 2.275 1.019) 11.922 29.162 ( 12.371 -1.386 1.066) 12.494 29.493 ( -13.363 11.141 -2.738) 17.612 29.676 ( -14.531 -7.705 -1.974) 16.565 29.793 ( -7.745 5.401 -3.470) 10.059 29.932 ( -10.993 -7.643 -4.333) 14.073 30.172 ( -10.882 1.992 3.552) 11.619 30.214 ( -10.756 -2.023 4.278) 11.751 30.537 ( -0.008 4.685 -1.449) 4.904 30.634 ( 0.880 -4.739 -1.969) 5.207 30.909 ( 4.680 3.490 0.805) 5.894 31.009 ( 4.747 -6.584 2.780) 8.579 ======================= Grid point 17 (12/54) ======================= q-point: ( 0.43 0.40 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 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 Number of triplets: 88 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.746 ( -0.650 13.475 1.328) 13.556 1.952 ( 10.766 -2.823 1.137) 11.188 2.121 ( -7.429 4.156 -0.835) 8.553 2.212 ( -5.531 -6.788 -2.265) 9.044 2.420 ( 3.482 3.795 2.804) 5.864 2.504 ( 1.800 -3.371 5.785) 6.933 2.638 ( 10.873 11.888 -6.712) 17.453 2.836 ( -4.516 -7.083 -3.955) 9.285 2.991 ( 7.029 6.723 -0.072) 9.727 3.102 ( 2.130 -3.527 0.661) 4.172 3.140 ( 0.768 10.326 -1.404) 10.450 3.334 ( 1.381 -5.163 -2.263) 5.804 3.449 ( -9.953 12.974 2.451) 16.534 3.605 ( -2.167 -4.277 -1.154) 4.931 3.629 ( 2.435 8.998 2.874) 9.755 3.766 ( -3.843 7.057 2.664) 8.465 3.856 ( 7.597 -5.372 3.015) 9.781 3.887 ( 2.633 -3.005 3.603) 5.380 4.003 ( -3.211 2.295 -6.999) 8.035 4.037 ( -0.275 -0.148 1.129) 1.172 4.091 ( -4.203 -1.280 -4.365) 6.193 4.179 ( 2.777 -4.776 -0.200) 5.528 4.263 ( -0.798 2.561 -5.752) 6.347 4.298 ( -3.416 0.287 2.046) 3.992 4.354 ( 2.319 4.503 3.761) 6.309 4.391 ( 1.979 0.863 -0.406) 2.197 4.458 ( 3.698 2.009 -2.115) 4.710 4.539 ( -2.052 -5.550 0.630) 5.950 4.587 ( -1.709 -0.122 2.934) 3.398 4.634 ( -5.920 5.217 -1.480) 8.028 4.768 ( 1.754 -4.076 3.282) 5.519 4.789 ( 5.820 -2.535 -3.238) 7.126 4.898 ( 16.638 6.123 4.512) 18.294 4.984 ( 14.491 2.981 3.126) 15.122 5.109 ( 10.116 10.133 3.670) 14.781 5.131 ( -2.346 12.853 3.960) 13.653 5.300 ( 3.007 5.354 -6.461) 8.913 5.344 ( -4.380 -0.406 -3.903) 5.881 5.374 ( -5.897 -5.993 -0.862) 8.452 5.407 ( 4.367 -4.778 2.516) 6.945 5.480 ( 8.423 0.751 3.117) 9.013 5.554 ( -2.101 -4.781 -0.584) 5.254 5.572 ( 0.695 -1.319 0.010) 1.491 5.667 ( -0.420 -2.859 -1.540) 3.275 5.849 ( -4.613 -1.320 -1.588) 5.054 5.921 ( 1.915 2.209 2.315) 3.729 5.945 ( 1.483 -9.686 -1.942) 9.990 5.975 ( -0.497 6.283 1.438) 6.464 6.055 ( -6.911 -9.908 -1.950) 12.237 6.163 ( -0.060 -7.855 -1.590) 8.015 6.274 ( 0.573 2.158 3.879) 4.476 6.309 ( 1.063 3.426 3.322) 4.889 6.350 ( -3.258 5.510 -1.599) 6.598 6.520 ( -1.198 -5.459 -0.316) 5.598 6.583 ( -1.114 -1.782 -3.225) 3.850 6.615 ( 1.336 -4.587 -2.705) 5.490 6.778 ( 1.292 5.007 2.231) 5.632 6.803 ( -0.883 1.585 -0.469) 1.874 6.860 ( 4.046 -0.943 0.875) 4.245 6.974 ( 1.845 -10.246 -1.074) 10.466 7.098 ( -2.831 4.677 -4.263) 6.932 7.154 ( -9.799 1.166 0.401) 9.876 7.210 ( -6.043 -2.702 -4.379) 7.937 7.222 ( -7.666 -2.466 -1.940) 8.284 7.452 ( -2.759 2.434 0.854) 3.777 7.507 ( -5.746 -2.304 0.085) 6.191 7.609 ( 3.740 4.585 4.049) 7.169 7.702 ( 1.846 -3.395 -0.051) 3.865 7.755 ( -3.375 1.639 1.323) 3.979 7.874 ( -3.379 -9.144 -0.260) 9.751 7.987 ( 3.452 1.757 1.897) 4.313 8.037 ( -1.686 -3.260 0.547) 3.710 8.162 ( -0.875 7.803 0.051) 7.852 8.329 ( 2.257 -7.240 0.639) 7.610 8.456 ( 2.457 3.471 -1.089) 4.390 8.482 ( 0.867 0.462 -0.572) 1.136 8.526 ( 1.289 -0.529 1.627) 2.142 8.571 ( -0.104 -3.402 0.887) 3.517 8.691 ( 1.346 5.988 1.432) 6.302 8.755 ( -2.731 0.426 -1.836) 3.318 8.779 ( -3.793 1.781 -3.851) 5.691 8.872 ( 0.801 -5.805 -0.515) 5.883 9.025 ( -1.258 1.867 -0.273) 2.268 9.039 ( 0.529 -1.512 1.233) 2.021 9.166 ( 1.657 -1.026 0.797) 2.106 9.189 ( 0.078 -3.652 0.752) 3.730 9.444 ( -1.007 3.667 -1.982) 4.288 9.518 ( -3.369 -2.570 -3.797) 5.690 9.623 ( 0.239 4.236 2.169) 4.765 9.706 ( 0.553 -4.365 3.048) 5.352 9.818 ( -1.148 0.093 0.603) 1.300 9.882 ( -0.812 -5.405 1.002) 5.557 10.030 ( -3.143 6.017 -0.831) 6.839 10.094 ( -0.732 0.712 -1.068) 1.478 10.289 ( 3.989 1.444 0.933) 4.343 10.330 ( -0.029 -1.834 -1.232) 2.209 10.488 ( 4.313 3.168 0.583) 5.383 10.548 ( 3.415 -3.406 -0.473) 4.846 10.638 ( 1.296 1.999 0.985) 2.578 10.672 ( 0.412 -1.856 -0.471) 1.959 10.804 ( -0.081 2.953 -0.330) 2.972 10.857 ( -4.830 -1.029 -0.737) 4.993 10.977 ( -3.312 4.437 -1.756) 5.808 11.103 ( -0.652 -5.970 -0.596) 6.035 11.333 ( 0.948 5.414 1.992) 5.847 11.419 ( 1.644 -3.790 2.518) 4.838 11.423 ( -0.153 2.317 -0.016) 2.322 11.556 ( -2.673 -6.319 2.775) 7.401 11.661 ( 0.728 2.490 2.622) 3.688 11.685 ( -2.575 0.443 -1.302) 2.919 11.921 ( 3.962 3.449 -1.384) 5.432 11.976 ( 2.116 -2.395 -2.459) 4.032 12.180 ( -8.280 1.108 1.895) 8.566 12.256 ( -10.899 -4.872 -3.429) 12.421 12.574 ( -0.817 3.196 -0.599) 3.352 12.631 ( 1.507 -2.871 -0.444) 3.273 12.900 ( -0.949 2.332 0.923) 2.681 12.932 ( -0.646 -0.274 -0.313) 0.768 13.363 ( -1.640 0.361 0.520) 1.758 13.373 ( -3.512 -0.624 -0.170) 3.571 13.839 ( 2.137 2.069 0.920) 3.114 13.861 ( 2.185 -0.171 2.337) 3.204 14.101 ( 2.803 4.565 0.176) 5.360 14.174 ( 1.663 -2.648 -0.458) 3.160 14.480 ( 7.085 -0.500 -0.225) 7.106 14.502 ( 4.805 -2.381 -0.340) 5.373 14.729 ( 1.548 -1.273 -1.292) 2.385 14.772 ( 2.351 -5.361 0.687) 5.894 14.904 ( 2.344 2.494 0.661) 3.486 14.922 ( 2.433 1.727 1.232) 3.228 15.084 ( 4.653 2.087 -0.385) 5.114 15.139 ( 0.729 -2.210 1.294) 2.663 15.187 ( 4.467 5.886 0.432) 7.402 15.272 ( 6.505 -0.787 1.096) 6.643 15.528 ( -5.432 4.479 -0.846) 7.091 15.616 ( -3.559 -5.933 -2.242) 7.272 15.865 ( 0.956 2.311 -0.380) 2.529 15.962 ( -0.260 -7.477 -0.222) 7.484 16.426 ( 2.264 1.726 0.005) 2.847 16.452 ( 1.481 -1.203 -0.251) 1.924 16.686 ( 1.457 5.400 1.960) 5.927 16.798 ( 1.485 -4.394 0.830) 4.712 17.154 ( 3.079 1.975 -2.878) 4.655 17.170 ( 1.545 0.479 -0.249) 1.636 18.149 ( -1.962 4.077 0.613) 4.565 18.227 ( -1.306 -2.884 0.925) 3.298 18.249 ( -2.290 3.670 0.394) 4.344 18.342 ( -1.351 -4.995 -1.194) 5.310 18.881 ( -4.050 2.669 -0.446) 4.870 18.934 ( -4.005 -2.553 -0.712) 4.803 19.182 ( -2.433 2.721 0.066) 3.651 19.268 ( -0.971 -5.884 0.196) 5.967 25.028 ( 0.581 6.884 0.167) 6.910 25.207 ( 1.557 -10.970 0.235) 11.082 25.275 ( 1.555 8.041 -0.259) 8.194 25.522 ( 2.890 -17.177 -0.165) 17.419 26.882 ( 0.513 5.319 0.067) 5.344 26.925 ( 1.070 0.746 -0.400) 1.364 26.972 ( -0.730 1.443 -0.082) 1.619 27.028 ( -0.873 -3.446 1.197) 3.751 28.008 ( 1.297 1.422 -2.103) 2.851 28.023 ( -0.100 -0.597 0.362) 0.705 28.114 ( -0.673 11.317 0.393) 11.344 28.285 ( 0.515 -3.758 0.423) 3.816 28.384 ( 3.748 10.688 -0.775) 11.352 28.482 ( 1.314 -0.289 1.806) 2.252 28.929 ( 1.669 3.612 0.879) 4.075 29.023 ( 6.819 -4.967 0.980) 8.493 29.244 ( -0.884 3.827 -1.964) 4.391 29.330 ( -2.098 -4.094 -0.252) 4.607 29.444 ( 8.113 1.983 3.110) 8.912 29.493 ( 2.051 -3.017 -0.095) 3.649 29.675 ( -3.163 2.064 -6.431) 7.458 29.745 ( -7.424 -4.458 -3.751) 9.438 29.951 ( -8.928 0.727 2.701) 9.356 29.982 ( -10.630 -1.937 4.067) 11.545 30.551 ( 0.701 4.266 -0.348) 4.337 30.649 ( 0.523 -5.279 -0.470) 5.326 30.976 ( 1.858 3.959 0.288) 4.383 31.074 ( 1.692 -5.737 0.636) 6.015 ======================= Grid point 35 (13/54) ======================= 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 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 Number of triplets: 54 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.774 ( -2.973 0.000 39.109) 39.221 0.777 ( 6.199 0.000 39.392) 39.877 1.196 ( 13.538 0.000 55.372) 57.003 2.211 ( -3.263 0.000 -9.155) 9.719 2.321 ( 1.137 0.000 -2.787) 3.010 2.362 ( -1.830 0.000 -6.927) 7.164 2.473 ( -0.070 0.000 -0.625) 0.629 2.672 ( -7.781 0.000 -2.306) 8.116 2.704 ( -9.030 0.000 -2.063) 9.262 2.770 ( -1.298 0.000 0.469) 1.380 2.877 ( 15.408 0.000 0.085) 15.409 3.038 ( -0.713 0.000 2.826) 2.914 3.056 ( -5.953 0.000 -1.192) 6.071 3.379 ( -5.661 0.000 -15.819) 16.801 3.438 ( 7.724 0.000 -5.846) 9.686 3.635 ( -5.138 0.000 -0.293) 5.146 3.636 ( 5.475 0.000 2.134) 5.876 3.716 ( 3.522 0.000 4.781) 5.938 3.764 ( 1.308 0.000 -1.503) 1.992 3.905 ( -1.494 0.000 -7.972) 8.111 3.934 ( 1.833 0.000 -6.858) 7.099 4.021 ( 0.046 0.000 17.111) 17.111 4.139 ( -4.829 0.000 -1.937) 5.202 4.159 ( -1.951 0.000 8.484) 8.705 4.209 ( 4.457 0.000 0.744) 4.518 4.334 ( -3.136 0.000 -0.606) 3.194 4.368 ( -2.402 0.000 1.436) 2.798 4.401 ( 2.256 0.000 9.876) 10.130 4.606 ( 0.200 0.000 5.405) 5.409 4.703 ( -6.504 0.000 16.154) 17.414 4.721 ( -11.291 0.000 -0.402) 11.298 4.845 ( -4.435 0.000 -0.293) 4.445 4.875 ( 4.291 0.000 -2.894) 5.176 4.920 ( 0.402 0.000 -12.662) 12.669 4.994 ( 2.892 0.000 -2.191) 3.628 5.110 ( 2.608 0.000 -1.374) 2.948 5.149 ( 5.430 0.000 1.073) 5.535 5.172 ( -4.518 0.000 2.201) 5.025 5.190 ( 7.593 0.000 -0.496) 7.609 5.278 ( 11.968 0.000 1.257) 12.034 5.400 ( -0.151 0.000 -1.420) 1.428 5.599 ( -0.859 0.000 -0.921) 1.260 5.600 ( -4.551 0.000 -0.006) 4.551 5.686 ( -10.070 0.000 -3.346) 10.612 5.714 ( -5.665 0.000 -6.529) 8.644 5.767 ( 0.403 0.000 -12.463) 12.469 5.907 ( 7.357 0.000 -3.317) 8.070 5.939 ( 5.911 0.000 3.362) 6.801 6.115 ( -1.940 0.000 -4.907) 5.276 6.116 ( 1.041 0.000 -3.060) 3.232 6.200 ( 3.735 0.000 -5.968) 7.041 6.251 ( -1.794 0.000 6.347) 6.595 6.642 ( -2.608 0.000 -3.764) 4.580 6.678 ( 4.511 0.000 -2.325) 5.074 6.745 ( -7.034 0.000 2.473) 7.456 6.862 ( 2.761 0.000 0.007) 2.761 6.913 ( 7.003 0.000 2.996) 7.617 7.068 ( -1.149 0.000 -1.838) 2.168 7.208 ( 3.286 0.000 8.852) 9.442 7.249 ( -8.711 0.000 -1.737) 8.883 7.314 ( -14.190 0.000 -6.736) 15.708 7.329 ( -3.773 0.000 -6.664) 7.658 7.376 ( 7.913 0.000 -3.227) 8.546 7.506 ( 3.338 0.000 1.703) 3.748 7.537 ( 4.970 0.000 -8.205) 9.592 7.574 ( 2.749 0.000 6.629) 7.176 7.765 ( -8.088 0.000 -2.458) 8.454 7.821 ( -1.673 0.000 -0.895) 1.897 7.837 ( 1.408 0.000 10.226) 10.323 7.952 ( -0.035 0.000 -3.265) 3.265 8.087 ( 0.830 0.000 5.867) 5.925 8.134 ( -5.452 0.000 2.412) 5.961 8.223 ( -4.856 0.000 2.347) 5.393 8.250 ( -1.023 0.000 -4.017) 4.146 8.410 ( -0.497 0.000 -0.531) 0.727 8.441 ( 1.568 0.000 9.184) 9.317 8.545 ( -0.676 0.000 -2.126) 2.231 8.616 ( 3.025 0.000 3.215) 4.414 8.642 ( 1.704 0.000 -0.394) 1.749 8.747 ( 1.296 0.000 -6.498) 6.626 8.750 ( -3.422 0.000 3.412) 4.832 8.892 ( -3.108 0.000 2.402) 3.928 9.076 ( 4.420 0.000 -2.365) 5.013 9.193 ( 3.873 0.000 -4.773) 6.147 9.391 ( 1.320 0.000 -0.330) 1.361 9.405 ( -0.135 0.000 3.864) 3.867 9.477 ( 6.298 0.000 2.882) 6.926 9.531 ( -4.130 0.000 -1.435) 4.372 9.670 ( -8.787 0.000 -1.242) 8.874 9.806 ( 2.307 0.000 7.590) 7.933 9.906 ( -0.781 0.000 -5.003) 5.063 9.910 ( 2.374 0.000 -0.056) 2.374 9.992 ( 0.214 0.000 -0.060) 0.222 10.049 ( -3.403 0.000 -2.069) 3.983 10.336 ( 3.342 0.000 4.649) 5.725 10.348 ( 2.880 0.000 5.189) 5.934 10.399 ( -1.247 0.000 1.434) 1.900 10.532 ( 0.458 0.000 -3.170) 3.203 10.550 ( 2.389 0.000 -1.337) 2.738 10.565 ( -6.998 0.000 -1.592) 7.177 10.815 ( -3.185 0.000 -4.075) 5.172 10.963 ( 7.100 0.000 -4.561) 8.438 11.046 ( -4.937 0.000 8.518) 9.846 11.171 ( -0.861 0.000 4.152) 4.240 11.520 ( 3.475 0.000 -3.496) 4.929 11.617 ( -3.224 0.000 -5.428) 6.313 11.672 ( 0.752 0.000 0.831) 1.121 11.744 ( 6.085 0.000 4.340) 7.475 11.833 ( 2.591 0.000 3.167) 4.091 11.888 ( 0.787 0.000 -1.980) 2.130 12.134 ( -0.269 0.000 0.301) 0.404 12.424 ( -0.918 0.000 1.339) 1.624 12.547 ( -0.701 0.000 0.885) 1.129 12.633 ( -0.462 0.000 -2.492) 2.534 12.667 ( -23.389 0.000 -3.828) 23.700 12.673 ( 1.406 0.000 -10.456) 10.550 13.065 ( -18.812 0.000 3.272) 19.095 13.074 ( 4.004 0.000 0.577) 4.046 13.160 ( 82.651 0.000 -0.126) 82.651 13.176 ( -3.819 0.000 -0.719) 3.886 13.348 ( 7.028 0.000 2.584) 7.488 13.610 ( -0.974 0.000 -4.333) 4.441 13.850 ( -0.174 0.000 -0.632) 0.656 13.899 ( -0.745 0.000 -0.833) 1.118 14.078 ( 0.909 0.000 -0.638) 1.110 14.148 ( -4.393 0.000 -3.013) 5.326 14.256 ( 5.941 0.000 4.305) 7.337 14.458 ( -6.784 0.000 4.228) 7.993 14.581 ( -4.070 0.000 -3.631) 5.454 14.673 ( 29.967 0.000 -1.706) 30.016 14.881 ( 0.624 0.000 1.036) 1.210 14.927 ( 7.757 0.000 3.668) 8.580 14.944 ( -2.420 0.000 -1.525) 2.861 15.100 ( -12.108 0.000 -0.542) 12.120 15.318 ( -1.141 0.000 3.467) 3.649 15.470 ( 0.748 0.000 1.825) 1.972 16.054 ( -2.421 0.000 1.490) 2.843 16.086 ( 2.344 0.000 1.196) 2.632 16.265 ( -8.606 0.000 -3.804) 9.409 16.338 ( 2.428 0.000 -2.292) 3.340 16.506 ( -3.204 0.000 -3.204) 4.531 16.667 ( 3.802 0.000 -3.105) 4.909 16.795 ( -0.721 0.000 6.306) 6.347 16.826 ( -7.366 0.000 4.413) 8.587 18.273 ( -0.190 0.000 0.974) 0.992 18.284 ( 0.309 0.000 0.688) 0.754 18.557 ( 4.373 0.000 1.557) 4.642 18.758 ( -33.165 0.000 -3.134) 33.313 19.201 ( 0.018 0.000 2.231) 2.231 19.398 ( 0.331 0.000 -2.260) 2.284 19.426 ( 2.079 0.000 0.450) 2.127 19.491 ( -0.071 0.000 -0.985) 0.987 24.995 ( 1.894 0.000 1.008) 2.145 25.043 ( -1.931 0.000 1.067) 2.207 25.090 ( -2.838 0.000 -1.261) 3.106 25.133 ( 3.018 0.000 -1.021) 3.186 26.867 ( 0.957 0.000 -1.200) 1.535 26.918 ( 3.147 0.000 -3.305) 4.564 26.972 ( -1.624 0.000 1.902) 2.501 27.022 ( 2.015 0.000 1.124) 2.308 27.777 ( -0.132 0.000 0.118) 0.177 27.789 ( 0.106 0.000 -0.087) 0.137 28.056 ( -3.938 0.000 -0.720) 4.003 28.103 ( -0.179 0.000 -0.699) 0.721 28.247 ( -1.495 0.000 9.201) 9.321 28.554 ( 9.204 0.000 2.079) 9.436 28.592 ( -1.211 0.000 -1.142) 1.664 28.729 ( 0.873 0.000 0.750) 1.151 28.807 ( -2.677 0.000 -3.162) 4.143 28.832 ( 3.520 0.000 -1.613) 3.872 29.468 ( -9.063 0.000 1.849) 9.250 29.863 ( -1.871 0.000 5.721) 6.019 30.044 ( -1.025 0.000 -18.131) 18.160 30.216 ( 2.662 0.000 -2.631) 3.743 30.371 ( 1.438 0.000 0.816) 1.653 30.449 ( -6.761 0.000 -1.028) 6.839 30.478 ( 1.376 0.000 -0.599) 1.501 30.478 ( 0.225 0.000 -1.572) 1.588 30.946 ( -2.480 0.000 21.324) 21.468 31.911 ( 9.793 0.000 -8.447) 12.933 ======================= Grid point 36 (14/54) ======================= q-point: ( 0.14 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 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 Number of triplets: 54 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.045 ( 26.090 0.000 25.918) 36.776 1.125 ( 21.680 0.000 28.754) 36.011 2.012 ( 54.435 0.000 33.428) 63.879 2.090 ( -10.280 0.000 -9.876) 14.255 2.293 ( -2.623 0.000 -7.613) 8.052 2.369 ( 2.958 0.000 -7.409) 7.978 2.480 ( -8.227 0.000 3.318) 8.871 2.559 ( -2.953 0.000 0.767) 3.051 2.652 ( 8.005 0.000 -1.523) 8.149 2.839 ( -18.184 0.000 4.595) 18.756 2.895 ( 7.594 0.000 0.018) 7.594 3.079 ( 4.711 0.000 -2.195) 5.197 3.106 ( 2.476 0.000 3.172) 4.024 3.192 ( -3.303 0.000 -14.979) 15.339 3.458 ( 14.346 0.000 -8.802) 16.831 3.614 ( -4.808 0.000 0.723) 4.862 3.755 ( 8.003 0.000 9.977) 12.790 3.804 ( -4.618 0.000 -15.866) 16.524 3.890 ( 2.388 0.000 -9.123) 9.430 4.019 ( 11.728 0.000 3.715) 12.302 4.028 ( 9.827 0.000 -9.093) 13.388 4.087 ( -0.751 0.000 -0.874) 1.152 4.153 ( 10.636 0.000 14.657) 18.109 4.193 ( 7.249 0.000 0.034) 7.249 4.245 ( -1.416 0.000 0.510) 1.505 4.375 ( 5.422 0.000 -3.926) 6.694 4.387 ( 3.256 0.000 6.297) 7.089 4.427 ( 2.674 0.000 4.883) 5.567 4.475 ( -7.613 0.000 -0.728) 7.648 4.537 ( -10.929 0.000 12.158) 16.348 4.632 ( -2.364 0.000 4.662) 5.227 4.784 ( -2.389 0.000 3.139) 3.945 4.850 ( -6.899 0.000 -2.285) 7.268 4.949 ( 6.735 0.000 -9.919) 11.989 4.989 ( -3.446 0.000 -0.818) 3.542 5.132 ( 1.764 0.000 -3.054) 3.527 5.164 ( -9.307 0.000 0.547) 9.323 5.241 ( 8.552 0.000 6.888) 10.981 5.319 ( -0.050 0.000 1.577) 1.577 5.368 ( -4.067 0.000 8.271) 9.217 5.430 ( 3.733 0.000 -1.327) 3.962 5.518 ( 3.420 0.000 -3.872) 5.166 5.590 ( 13.578 0.000 0.046) 13.578 5.617 ( 5.030 0.000 4.076) 6.474 5.706 ( 0.111 0.000 -4.904) 4.905 5.808 ( 2.845 0.000 -8.878) 9.322 5.980 ( -5.510 0.000 -4.893) 7.369 6.038 ( 0.428 0.000 -11.396) 11.404 6.081 ( -0.081 0.000 -1.915) 1.916 6.125 ( 2.058 0.000 2.816) 3.488 6.206 ( -1.720 0.000 4.222) 4.559 6.291 ( 7.766 0.000 -0.292) 7.771 6.537 ( -6.482 0.000 -3.693) 7.460 6.601 ( -2.935 0.000 -0.082) 2.936 6.834 ( 1.046 0.000 -2.371) 2.591 6.851 ( -1.604 0.000 -3.292) 3.662 6.935 ( -6.301 0.000 -3.040) 6.996 6.973 ( -16.282 0.000 8.513) 18.373 7.009 ( -7.357 0.000 -0.825) 7.403 7.171 ( 6.377 0.000 5.825) 8.638 7.245 ( -4.759 0.000 -9.114) 10.282 7.284 ( 4.985 0.000 7.634) 9.117 7.460 ( -3.861 0.000 -4.503) 5.932 7.547 ( 0.969 0.000 1.483) 1.772 7.607 ( -0.492 0.000 -5.480) 5.502 7.642 ( -3.388 0.000 -11.996) 12.466 7.651 ( 0.506 0.000 9.846) 9.859 7.781 ( -2.092 0.000 -3.480) 4.061 7.809 ( 0.209 0.000 8.933) 8.935 7.959 ( -0.220 0.000 -2.523) 2.532 8.016 ( -3.785 0.000 1.456) 4.055 8.036 ( -5.228 0.000 6.903) 8.659 8.220 ( -0.980 0.000 3.005) 3.160 8.271 ( 2.125 0.000 -4.740) 5.194 8.426 ( 1.801 0.000 -0.876) 2.002 8.452 ( -1.597 0.000 5.161) 5.402 8.595 ( 4.800 0.000 -3.249) 5.796 8.605 ( -4.712 0.000 2.922) 5.545 8.673 ( 0.297 0.000 1.375) 1.406 8.747 ( 5.365 0.000 2.369) 5.865 8.774 ( 0.420 0.000 -6.044) 6.058 8.853 ( 2.064 0.000 2.460) 3.211 9.097 ( -7.582 0.000 -5.324) 9.265 9.117 ( -1.041 0.000 2.197) 2.431 9.356 ( -14.011 0.000 8.311) 16.291 9.424 ( -5.296 0.000 -5.061) 7.325 9.446 ( 3.501 0.000 4.299) 5.545 9.469 ( 4.327 0.000 -1.802) 4.687 9.589 ( 4.167 0.000 2.216) 4.720 9.824 ( 0.815 0.000 5.538) 5.598 9.829 ( -7.447 0.000 -4.427) 8.664 9.942 ( -3.303 0.000 -0.232) 3.311 10.028 ( 8.310 0.000 1.822) 8.508 10.049 ( 2.511 0.000 -3.291) 4.139 10.342 ( -7.313 0.000 4.746) 8.718 10.354 ( -1.087 0.000 0.438) 1.172 10.400 ( -2.337 0.000 2.015) 3.086 10.480 ( -1.603 0.000 -0.456) 1.666 10.536 ( -1.463 0.000 -2.391) 2.803 10.557 ( 4.410 0.000 6.316) 7.703 10.857 ( -0.324 0.000 -0.373) 0.494 10.953 ( -6.929 0.000 -0.545) 6.951 10.955 ( 3.224 0.000 -1.031) 3.385 11.140 ( 0.948 0.000 -3.593) 3.716 11.455 ( -8.956 0.000 0.787) 8.991 11.473 ( -8.895 0.000 -6.146) 10.812 11.573 ( -8.322 0.000 3.554) 9.049 11.790 ( 1.469 0.000 2.205) 2.649 11.795 ( -6.779 0.000 -0.489) 6.797 11.908 ( 1.167 0.000 -2.750) 2.987 12.077 ( -5.511 0.000 3.606) 6.586 12.117 ( -14.708 0.000 21.748) 26.254 12.424 ( 1.829 0.000 3.118) 3.615 12.550 ( 1.291 0.000 0.180) 1.303 12.618 ( -4.924 0.000 -6.806) 8.400 12.690 ( 1.484 0.000 -6.302) 6.475 12.903 ( 0.697 0.000 2.808) 2.893 12.959 ( -12.827 0.000 -1.206) 12.884 13.393 ( -8.807 0.000 -7.655) 11.669 13.417 ( 17.521 0.000 0.996) 17.549 13.522 ( 15.041 0.000 3.631) 15.473 13.664 ( 4.850 0.000 -1.593) 5.105 13.920 ( -5.204 0.000 1.254) 5.353 14.116 ( 2.209 0.000 0.298) 2.229 14.133 ( 9.328 0.000 -3.595) 9.997 14.281 ( 11.080 0.000 6.360) 12.775 14.311 ( -4.664 0.000 -3.520) 5.843 14.535 ( 19.371 0.000 -5.386) 20.105 14.593 ( 2.452 0.000 -4.857) 5.441 14.826 ( -1.748 0.000 -4.598) 4.919 14.895 ( 2.689 0.000 3.385) 4.323 14.969 ( -2.526 0.000 -2.440) 3.512 15.108 ( 6.978 0.000 6.608) 9.611 15.355 ( 5.483 0.000 2.867) 6.187 15.440 ( -1.553 0.000 -0.114) 1.558 15.647 ( 5.872 0.000 -4.274) 7.263 16.070 ( 14.777 0.000 -12.729) 19.504 16.118 ( -0.270 0.000 2.505) 2.520 16.295 ( 4.749 0.000 -8.007) 9.310 16.358 ( -0.476 0.000 -0.372) 0.604 16.493 ( 2.861 0.000 -4.688) 5.492 16.773 ( 3.728 0.000 2.004) 4.233 16.806 ( 1.482 0.000 5.611) 5.803 16.923 ( 17.328 0.000 -16.774) 24.117 18.211 ( -7.820 0.000 2.460) 8.198 18.270 ( -1.791 0.000 1.066) 2.084 18.343 ( -2.370 0.000 -0.175) 2.376 18.587 ( -1.532 0.000 5.068) 5.295 19.126 ( -7.184 0.000 1.966) 7.448 19.288 ( -9.420 0.000 -1.771) 9.585 19.414 ( -7.218 0.000 -1.129) 7.306 19.422 ( -1.541 0.000 -1.827) 2.390 24.933 ( -2.266 0.000 1.541) 2.741 25.088 ( 0.619 0.000 -4.850) 4.889 25.199 ( 11.111 0.000 1.409) 11.200 25.581 ( 27.015 0.000 -19.376) 33.245 26.867 ( -0.938 0.000 -0.901) 1.301 26.914 ( -3.960 0.000 1.198) 4.137 26.923 ( -1.384 0.000 -3.226) 3.511 27.049 ( -0.216 0.000 -1.107) 1.128 27.763 ( -1.346 0.000 0.635) 1.489 27.794 ( 0.438 0.000 0.088) 0.446 28.020 ( 0.707 0.000 4.264) 4.322 28.130 ( 2.425 0.000 -0.832) 2.564 28.211 ( -1.742 0.000 10.386) 10.531 28.603 ( 2.434 0.000 -2.761) 3.681 28.770 ( 3.724 0.000 1.053) 3.870 28.789 ( 9.645 0.000 -5.085) 10.903 28.812 ( 3.567 0.000 -3.366) 4.905 28.971 ( 10.334 0.000 -0.792) 10.365 29.201 ( -10.250 0.000 18.036) 20.745 29.743 ( -6.357 0.000 0.683) 6.394 29.960 ( -6.975 0.000 -14.365) 15.969 30.149 ( -8.470 0.000 -4.837) 9.754 30.324 ( -6.987 0.000 1.114) 7.075 30.387 ( 1.805 0.000 1.476) 2.332 30.547 ( 3.448 0.000 -1.156) 3.637 30.655 ( 10.526 0.000 -3.699) 11.157 30.843 ( -7.655 0.000 18.843) 20.339 31.641 ( -20.724 0.000 6.965) 21.863 ======================= Grid point 37 (15/54) ======================= q-point: ( 0.29 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 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 Number of triplets: 54 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.540 ( 16.771 0.000 11.647) 20.419 1.642 ( 26.996 0.000 14.232) 30.518 1.801 ( -12.952 0.000 1.266) 13.014 2.190 ( -2.092 0.000 -10.249) 10.460 2.325 ( -9.894 0.000 8.721) 13.189 2.383 ( -3.678 0.000 1.973) 4.174 2.476 ( 5.430 0.000 -5.788) 7.937 2.586 ( -2.698 0.000 0.714) 2.791 2.827 ( 11.458 0.000 -4.043) 12.150 2.940 ( -0.607 0.000 -0.813) 1.015 3.133 ( 1.040 0.000 3.496) 3.647 3.152 ( 12.755 0.000 1.605) 12.856 3.199 ( 35.185 0.000 10.902) 36.835 3.231 ( 5.552 0.000 -8.111) 9.829 3.415 ( -11.716 0.000 -9.891) 15.333 3.672 ( -5.775 0.000 -17.097) 18.046 3.807 ( -5.833 0.000 -7.895) 9.816 3.824 ( 8.544 0.000 2.054) 8.787 3.950 ( -0.962 0.000 5.923) 6.000 4.008 ( 5.531 0.000 -12.854) 13.994 4.116 ( 2.638 0.000 -1.725) 3.152 4.141 ( 0.263 0.000 -3.821) 3.830 4.264 ( 4.847 0.000 16.230) 16.938 4.317 ( 0.128 0.000 -8.000) 8.001 4.329 ( -3.143 0.000 9.027) 9.559 4.373 ( -2.452 0.000 -2.046) 3.194 4.378 ( -2.798 0.000 5.504) 6.175 4.476 ( 10.692 0.000 1.924) 10.864 4.513 ( 6.524 0.000 -2.846) 7.118 4.547 ( 7.883 0.000 9.063) 12.011 4.570 ( -3.630 0.000 7.635) 8.454 4.739 ( 0.771 0.000 6.211) 6.258 4.807 ( 2.999 0.000 1.073) 3.186 4.926 ( -2.303 0.000 0.965) 2.497 4.956 ( -4.421 0.000 -0.715) 4.479 5.155 ( 12.799 0.000 -7.466) 14.817 5.167 ( 1.309 0.000 -1.781) 2.210 5.341 ( 4.895 0.000 5.766) 7.564 5.345 ( 3.236 0.000 9.553) 10.086 5.461 ( 6.999 0.000 6.392) 9.478 5.523 ( 0.840 0.000 -2.837) 2.959 5.586 ( 4.808 0.000 -9.008) 10.211 5.601 ( -5.132 0.000 -0.219) 5.137 5.737 ( 3.206 0.000 5.267) 6.166 5.805 ( -2.720 0.000 -7.770) 8.233 5.903 ( 5.289 0.000 4.240) 6.779 5.960 ( -4.707 0.000 -2.503) 5.331 6.005 ( 19.871 0.000 0.896) 19.891 6.078 ( -6.138 0.000 -1.323) 6.279 6.169 ( -3.504 0.000 2.158) 4.115 6.171 ( 3.953 0.000 2.382) 4.615 6.382 ( -12.387 0.000 9.403) 15.552 6.427 ( 4.575 0.000 -8.713) 9.841 6.567 ( 4.528 0.000 -12.420) 13.220 6.681 ( -5.304 0.000 0.934) 5.385 6.806 ( -1.255 0.000 7.683) 7.785 6.816 ( -4.491 0.000 -1.575) 4.759 6.858 ( 1.039 0.000 -3.728) 3.870 6.981 ( -0.501 0.000 0.179) 0.532 7.106 ( -10.299 0.000 -7.722) 12.873 7.149 ( -7.959 0.000 1.876) 8.177 7.264 ( -13.358 0.000 -6.709) 14.948 7.426 ( 3.834 0.000 12.952) 13.508 7.513 ( -7.921 0.000 2.451) 8.291 7.536 ( -0.085 0.000 1.817) 1.819 7.560 ( -5.903 0.000 -9.300) 11.015 7.600 ( -2.509 0.000 8.726) 9.080 7.729 ( -3.083 0.000 -4.118) 5.144 7.857 ( -0.686 0.000 5.934) 5.974 7.935 ( -2.884 0.000 -2.586) 3.874 7.983 ( 0.474 0.000 -1.277) 1.362 8.008 ( 4.493 0.000 0.608) 4.534 8.165 ( -3.171 0.000 1.751) 3.622 8.292 ( 0.427 0.000 -2.178) 2.219 8.434 ( 1.326 0.000 0.857) 1.579 8.437 ( -0.491 0.000 -4.384) 4.412 8.549 ( -1.531 0.000 -0.303) 1.560 8.637 ( 0.223 0.000 -4.239) 4.245 8.657 ( -3.980 0.000 -1.934) 4.425 8.727 ( -1.450 0.000 -1.348) 1.980 8.843 ( -0.413 0.000 3.133) 3.160 8.909 ( -0.048 0.000 -2.735) 2.736 9.015 ( 0.952 0.000 -2.337) 2.523 9.085 ( -0.708 0.000 9.050) 9.078 9.214 ( -1.182 0.000 2.476) 2.744 9.358 ( -0.474 0.000 -4.833) 4.856 9.511 ( 0.982 0.000 4.496) 4.602 9.512 ( 0.050 0.000 2.631) 2.631 9.647 ( -8.685 0.000 -5.397) 10.225 9.679 ( 4.366 0.000 -1.772) 4.712 9.877 ( 4.080 0.000 6.798) 7.928 9.899 ( -1.966 0.000 -2.088) 2.868 10.081 ( 0.107 0.000 -0.264) 0.285 10.152 ( -8.125 0.000 4.602) 9.337 10.178 ( 5.513 0.000 -1.581) 5.735 10.272 ( -4.378 0.000 1.262) 4.556 10.403 ( 2.877 0.000 -1.576) 3.280 10.445 ( -3.232 0.000 -2.091) 3.850 10.572 ( 5.976 0.000 1.314) 6.119 10.615 ( 0.044 0.000 7.152) 7.153 10.812 ( -1.023 0.000 -2.834) 3.013 10.836 ( -3.826 0.000 -5.259) 6.504 11.131 ( 10.010 0.000 -2.006) 10.209 11.186 ( 3.465 0.000 -4.709) 5.846 11.273 ( -8.254 0.000 5.773) 10.073 11.365 ( -0.736 0.000 -5.577) 5.625 11.447 ( -5.564 0.000 2.462) 6.084 11.580 ( -13.236 0.000 -7.216) 15.075 11.782 ( -1.935 0.000 4.178) 4.604 11.902 ( -11.608 0.000 14.933) 18.914 11.931 ( 0.832 0.000 -4.084) 4.168 11.974 ( -4.381 0.000 7.854) 8.993 12.464 ( 0.410 0.000 2.834) 2.864 12.514 ( -4.692 0.000 -4.311) 6.372 12.574 ( -3.008 0.000 -0.052) 3.008 12.695 ( -0.340 0.000 -8.793) 8.799 12.700 ( -7.727 0.000 1.954) 7.970 12.935 ( 1.179 0.000 5.049) 5.185 13.312 ( -0.313 0.000 -7.655) 7.661 13.524 ( -7.022 0.000 -2.772) 7.549 13.763 ( 4.949 0.000 2.580) 5.581 13.791 ( 10.877 0.000 0.761) 10.904 13.934 ( 2.739 0.000 3.912) 4.776 14.131 ( 0.218 0.000 -3.467) 3.474 14.337 ( 16.369 0.000 0.358) 16.372 14.426 ( 12.550 0.000 -4.743) 13.417 14.475 ( 8.978 0.000 6.293) 10.964 14.635 ( 2.489 0.000 -3.315) 4.146 14.816 ( 2.088 0.000 -4.018) 4.528 14.904 ( 16.115 0.000 -1.785) 16.214 14.974 ( 2.547 0.000 -5.136) 5.733 14.983 ( 4.823 0.000 3.727) 6.095 15.164 ( 0.002 0.000 4.428) 4.428 15.373 ( -4.679 0.000 1.970) 5.077 15.530 ( 10.576 0.000 5.285) 11.823 15.543 ( -8.617 0.000 6.848) 11.007 16.067 ( -4.282 0.000 -0.830) 4.362 16.272 ( 6.942 0.000 -2.930) 7.535 16.319 ( -3.243 0.000 1.610) 3.621 16.353 ( 2.328 0.000 -5.707) 6.164 16.603 ( 7.253 0.000 -2.456) 7.657 16.843 ( 1.639 0.000 4.765) 5.039 16.860 ( 3.730 0.000 -2.669) 4.586 17.097 ( 2.976 0.000 -7.411) 7.986 18.116 ( -3.484 0.000 -3.253) 4.766 18.214 ( -3.907 0.000 1.307) 4.120 18.368 ( 1.998 0.000 -6.744) 7.034 18.504 ( -6.845 0.000 5.139) 8.560 18.961 ( -8.794 0.000 1.378) 8.901 19.090 ( -9.673 0.000 -2.481) 9.986 19.256 ( -7.542 0.000 -0.511) 7.559 19.392 ( -0.956 0.000 -4.450) 4.552 24.918 ( 0.229 0.000 1.859) 1.873 25.105 ( 1.212 0.000 -4.822) 4.972 25.421 ( 10.766 0.000 2.691) 11.097 25.963 ( 13.797 0.000 -14.862) 20.279 26.812 ( -4.504 0.000 2.371) 5.090 26.862 ( -0.978 0.000 -1.811) 2.058 26.892 ( -1.303 0.000 -3.247) 3.499 27.020 ( -2.371 0.000 -1.258) 2.684 27.745 ( -0.257 0.000 0.907) 0.943 27.805 ( 0.507 0.000 0.280) 0.579 28.051 ( 1.486 0.000 4.537) 4.774 28.171 ( 1.403 0.000 -0.819) 1.625 28.192 ( -0.558 0.000 10.450) 10.465 28.685 ( 5.955 0.000 -5.138) 7.865 28.709 ( -6.719 0.000 12.309) 14.023 28.937 ( 9.067 0.000 -4.101) 9.952 28.982 ( 8.708 0.000 -5.361) 10.226 29.216 ( 14.151 0.000 0.406) 14.157 29.245 ( 11.636 0.000 8.448) 14.379 29.612 ( -7.380 0.000 -3.384) 8.119 29.762 ( -12.822 0.000 -7.929) 15.076 29.959 ( -9.363 0.000 -9.185) 13.116 30.160 ( -10.175 0.000 4.371) 11.074 30.398 ( -5.410 0.000 3.635) 6.518 30.503 ( -4.287 0.000 5.686) 7.122 30.780 ( 1.647 0.000 7.391) 7.572 30.802 ( 4.726 0.000 -4.451) 6.492 31.351 ( -9.470 0.000 3.204) 9.997 ======================= Grid point 38 (16/54) ======================= q-point: ( 0.43 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 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 Number of triplets: 54 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.484 ( -8.834 0.000 7.176) 11.381 1.733 ( 6.568 0.000 -0.979) 6.641 2.003 ( -6.323 0.000 9.243) 11.199 2.220 ( 2.775 0.000 -10.351) 10.716 2.321 ( 14.345 0.000 1.088) 14.386 2.497 ( 9.960 0.000 10.411) 14.408 2.560 ( 0.548 0.000 3.196) 3.243 2.686 ( 15.146 0.000 2.650) 15.376 2.865 ( -1.103 0.000 -4.175) 4.318 2.881 ( -2.871 0.000 -1.843) 3.412 3.061 ( -15.151 0.000 4.226) 15.730 3.165 ( -5.102 0.000 -7.755) 9.282 3.220 ( -0.346 0.000 -13.681) 13.685 3.318 ( 3.268 0.000 -10.097) 10.613 3.550 ( -13.173 0.000 -6.926) 14.882 3.568 ( -1.305 0.000 -13.412) 13.476 3.820 ( 10.737 0.000 6.430) 12.515 3.937 ( 6.353 0.000 -5.081) 8.135 3.951 ( 3.428 0.000 -0.160) 3.431 3.982 ( -8.864 0.000 -4.926) 10.141 4.192 ( -3.104 0.000 -0.076) 3.105 4.243 ( 3.521 0.000 -8.586) 9.280 4.246 ( 2.439 0.000 2.963) 3.837 4.315 ( 3.582 0.000 -1.174) 3.770 4.324 ( 1.277 0.000 13.498) 13.558 4.335 ( 3.533 0.000 -1.518) 3.845 4.378 ( 0.406 0.000 10.627) 10.635 4.498 ( -2.693 0.000 3.036) 4.059 4.599 ( 10.336 0.000 1.589) 10.457 4.675 ( 8.891 0.000 -0.250) 8.895 4.741 ( 2.271 0.000 11.297) 11.523 4.776 ( -4.547 0.000 8.414) 9.564 4.882 ( 1.133 0.000 0.405) 1.203 5.007 ( 5.838 0.000 -7.617) 9.598 5.047 ( 12.919 0.000 5.466) 14.027 5.168 ( -0.759 0.000 8.539) 8.573 5.224 ( 0.357 0.000 5.543) 5.554 5.329 ( -2.032 0.000 -1.512) 2.533 5.411 ( 2.228 0.000 2.259) 3.173 5.464 ( -22.111 0.000 1.483) 22.161 5.516 ( -10.229 0.000 3.114) 10.693 5.533 ( 4.393 0.000 -4.624) 6.378 5.700 ( 4.974 0.000 -1.531) 5.204 5.743 ( -0.899 0.000 -1.127) 1.442 5.767 ( 4.263 0.000 3.953) 5.814 5.851 ( -4.189 0.000 0.466) 4.215 5.875 ( -3.847 0.000 -0.474) 3.876 6.055 ( 12.285 0.000 0.111) 12.285 6.181 ( 8.211 0.000 1.050) 8.278 6.238 ( -0.388 0.000 2.836) 2.863 6.344 ( -0.588 0.000 0.042) 0.590 6.393 ( 14.135 0.000 4.604) 14.865 6.496 ( 0.687 0.000 -3.742) 3.805 6.554 ( 5.229 0.000 -2.897) 5.978 6.716 ( -1.081 0.000 -3.672) 3.828 6.778 ( -11.501 0.000 -4.388) 12.310 6.782 ( -2.144 0.000 2.127) 3.020 6.863 ( 4.973 0.000 10.946) 12.023 6.901 ( -8.476 0.000 -3.060) 9.011 6.941 ( 4.128 0.000 -4.548) 6.142 7.027 ( 1.619 0.000 -0.179) 1.629 7.078 ( -4.844 0.000 -4.960) 6.933 7.316 ( -11.870 0.000 3.824) 12.471 7.373 ( -5.691 0.000 7.630) 9.519 7.438 ( -3.002 0.000 -2.317) 3.792 7.540 ( -4.759 0.000 0.895) 4.842 7.575 ( -0.838 0.000 0.723) 1.107 7.701 ( 0.785 0.000 -3.413) 3.502 7.848 ( 0.847 0.000 4.999) 5.070 7.851 ( -4.044 0.000 -2.908) 4.981 8.022 ( 2.388 0.000 -0.568) 2.454 8.074 ( 1.245 0.000 -2.176) 2.507 8.129 ( -0.487 0.000 -2.282) 2.333 8.326 ( 3.512 0.000 -3.848) 5.210 8.443 ( 0.982 0.000 -3.620) 3.751 8.491 ( 0.374 0.000 0.074) 0.381 8.514 ( -7.559 0.000 -8.090) 11.072 8.531 ( 2.135 0.000 -3.486) 4.088 8.630 ( -0.527 0.000 -1.057) 1.182 8.709 ( -2.201 0.000 1.479) 2.652 8.801 ( -1.678 0.000 1.973) 2.590 8.901 ( 1.360 0.000 2.300) 2.672 9.051 ( 2.374 0.000 2.130) 3.190 9.075 ( -1.536 0.000 5.241) 5.462 9.248 ( 2.600 0.000 -1.614) 3.061 9.379 ( -4.566 0.000 -1.346) 4.760 9.415 ( 0.749 0.000 0.542) 0.925 9.491 ( -2.195 0.000 3.196) 3.877 9.615 ( 2.259 0.000 0.335) 2.284 9.720 ( 0.461 0.000 -1.769) 1.828 9.844 ( -2.293 0.000 -1.777) 2.902 9.961 ( 3.676 0.000 8.045) 8.845 10.056 ( -1.781 0.000 1.595) 2.391 10.103 ( 1.079 0.000 5.883) 5.981 10.189 ( -2.496 0.000 -4.307) 4.978 10.273 ( 1.124 0.000 -4.369) 4.511 10.398 ( -0.942 0.000 -2.038) 2.245 10.476 ( 2.819 0.000 -3.688) 4.641 10.612 ( 3.178 0.000 2.570) 4.087 10.707 ( 5.208 0.000 -1.237) 5.353 10.770 ( -4.168 0.000 -5.137) 6.615 10.808 ( 1.189 0.000 -4.102) 4.271 11.142 ( -5.298 0.000 8.490) 10.008 11.245 ( 0.353 0.000 -6.053) 6.064 11.263 ( -9.999 0.000 -3.460) 10.581 11.315 ( 8.915 0.000 1.625) 9.062 11.384 ( 1.404 0.000 4.954) 5.149 11.511 ( 7.131 0.000 -7.423) 10.294 11.646 ( -13.648 0.000 4.872) 14.491 11.754 ( -1.263 0.000 7.481) 7.587 11.854 ( -6.599 0.000 2.198) 6.956 11.985 ( 3.004 0.000 -3.465) 4.586 12.312 ( -11.809 0.000 -1.676) 11.927 12.454 ( -1.006 0.000 -1.815) 2.075 12.510 ( 0.795 0.000 9.929) 9.961 12.682 ( -0.438 0.000 -8.514) 8.525 12.734 ( 2.855 0.000 -0.839) 2.976 12.967 ( 2.093 0.000 4.994) 5.415 13.306 ( -0.782 0.000 -5.100) 5.159 13.366 ( -5.205 0.000 -1.839) 5.520 13.832 ( 1.395 0.000 3.329) 3.609 13.878 ( -3.991 0.000 -1.310) 4.200 13.988 ( 5.739 0.000 1.753) 6.001 14.149 ( 2.098 0.000 -5.264) 5.667 14.597 ( 3.161 0.000 3.350) 4.606 14.597 ( 3.269 0.000 3.315) 4.656 14.679 ( 11.671 0.000 -3.421) 12.162 14.726 ( 7.637 0.000 -0.300) 7.643 14.842 ( 0.499 0.000 -5.259) 5.282 15.016 ( -1.644 0.000 4.084) 4.402 15.025 ( 1.827 0.000 -5.741) 6.025 15.168 ( 0.033 0.000 2.166) 2.166 15.178 ( 10.681 0.000 0.048) 10.681 15.281 ( -4.592 0.000 0.945) 4.688 15.380 ( -6.411 0.000 7.557) 9.911 15.702 ( 5.432 0.000 8.154) 9.798 15.994 ( -2.075 0.000 -4.975) 5.390 16.252 ( -3.172 0.000 1.859) 3.677 16.322 ( -2.264 0.000 -1.128) 2.529 16.432 ( 5.543 0.000 -2.917) 6.263 16.735 ( 5.859 0.000 0.397) 5.873 16.853 ( -1.097 0.000 4.400) 4.534 16.873 ( -0.954 0.000 -4.920) 5.011 17.157 ( 2.876 0.000 -2.331) 3.702 18.060 ( -1.016 0.000 0.180) 1.031 18.137 ( -3.230 0.000 0.185) 3.235 18.359 ( -6.948 0.000 2.465) 7.372 18.395 ( 1.549 0.000 -5.201) 5.427 18.824 ( -4.418 0.000 0.429) 4.439 18.954 ( -3.314 0.000 -2.667) 4.254 19.161 ( -1.966 0.000 1.262) 2.336 19.388 ( 0.646 0.000 -5.754) 5.791 24.926 ( 0.143 0.000 1.740) 1.745 25.127 ( 1.086 0.000 -4.434) 4.565 25.583 ( 4.845 0.000 3.802) 6.159 26.134 ( 4.525 0.000 -9.971) 10.949 26.736 ( -2.817 0.000 2.055) 3.487 26.858 ( 0.653 0.000 -0.847) 1.069 26.878 ( 0.008 0.000 -3.801) 3.801 26.965 ( -2.902 0.000 -2.152) 3.613 27.755 ( 1.098 0.000 0.974) 1.468 27.810 ( -0.052 0.000 0.108) 0.120 28.069 ( 0.280 0.000 4.045) 4.055 28.186 ( 0.410 0.000 -0.536) 0.675 28.197 ( 0.494 0.000 11.536) 11.547 28.591 ( -5.273 0.000 10.685) 11.916 28.804 ( 5.408 0.000 -7.194) 9.000 29.126 ( 5.980 0.000 -0.946) 6.054 29.138 ( 10.687 0.000 -4.659) 11.659 29.446 ( -2.259 0.000 0.331) 2.283 29.459 ( -7.804 0.000 -4.790) 9.157 29.511 ( -2.137 0.000 -5.197) 5.619 29.546 ( 17.613 0.000 6.531) 18.785 29.826 ( -2.246 0.000 -7.509) 7.838 29.942 ( -11.563 0.000 5.370) 12.749 30.162 ( -13.028 0.000 4.508) 13.786 30.508 ( 1.112 0.000 3.745) 3.907 30.830 ( 2.213 0.000 4.925) 5.400 30.848 ( 0.642 0.000 -4.635) 4.679 31.239 ( -3.178 0.000 -1.617) 3.565 ======================= Grid point 39 (17/54) ======================= q-point: (-0.43 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 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 Number of triplets: 54 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.499 ( 9.803 0.000 6.772) 11.915 1.803 ( -3.944 0.000 3.324) 5.158 1.895 ( -1.454 0.000 3.241) 3.553 2.287 ( 5.376 0.000 -6.591) 8.506 2.371 ( -19.479 0.000 3.144) 19.731 2.495 ( 3.255 0.000 2.834) 4.316 2.541 ( -1.706 0.000 10.341) 10.481 2.717 ( -8.635 0.000 -5.452) 10.212 2.763 ( -8.344 0.000 4.693) 9.573 2.898 ( -12.870 0.000 -7.164) 14.730 3.069 ( 12.687 0.000 0.389) 12.693 3.181 ( 16.485 0.000 -9.969) 19.265 3.344 ( 2.292 0.000 -7.702) 8.036 3.344 ( 13.047 0.000 -5.916) 14.326 3.395 ( -3.106 0.000 -10.047) 10.516 3.629 ( 6.666 0.000 -6.700) 9.451 3.760 ( -9.802 0.000 1.449) 9.908 3.788 ( -8.307 0.000 -6.132) 10.325 4.025 ( 1.353 0.000 -1.509) 2.027 4.071 ( 5.362 0.000 -7.223) 8.996 4.117 ( -6.449 0.000 8.668) 10.804 4.219 ( -4.714 0.000 -4.409) 6.454 4.268 ( -0.670 0.000 -0.378) 0.769 4.296 ( -0.269 0.000 -1.130) 1.162 4.325 ( 4.024 0.000 1.765) 4.394 4.429 ( -5.090 0.000 1.752) 5.383 4.478 ( -4.684 0.000 -0.208) 4.689 4.535 ( 7.272 0.000 12.574) 14.526 4.569 ( -19.147 0.000 2.426) 19.300 4.638 ( 1.074 0.000 5.889) 5.986 4.726 ( -14.137 0.000 14.258) 20.079 4.823 ( -8.290 0.000 14.002) 16.272 4.866 ( 2.400 0.000 1.027) 2.610 4.917 ( 7.032 0.000 2.442) 7.443 4.997 ( -0.231 0.000 -4.070) 4.077 5.125 ( 4.215 0.000 -2.318) 4.810 5.202 ( -6.804 0.000 -1.254) 6.919 5.207 ( -3.774 0.000 -5.806) 6.925 5.368 ( -3.508 0.000 0.497) 3.543 5.391 ( 0.742 0.000 -2.673) 2.774 5.612 ( -4.791 0.000 -7.280) 8.715 5.632 ( 12.935 0.000 10.826) 16.867 5.702 ( 4.497 0.000 10.806) 11.704 5.776 ( -3.519 0.000 0.191) 3.524 5.785 ( -1.458 0.000 0.773) 1.651 5.810 ( -2.345 0.000 -1.967) 3.060 5.861 ( 9.459 0.000 1.664) 9.604 6.215 ( -0.751 0.000 -0.308) 0.812 6.239 ( -8.648 0.000 -4.803) 9.892 6.247 ( 0.099 0.000 1.658) 1.661 6.289 ( -4.448 0.000 2.293) 5.004 6.359 ( -10.869 0.000 0.658) 10.889 6.490 ( 3.622 0.000 3.703) 5.180 6.637 ( -8.472 0.000 11.482) 14.269 6.656 ( 3.604 0.000 -6.082) 7.070 6.711 ( 2.223 0.000 -1.010) 2.441 6.761 ( -1.283 0.000 -3.510) 3.737 6.845 ( 5.878 0.000 -2.369) 6.337 6.972 ( 3.546 0.000 1.314) 3.781 7.026 ( 9.000 0.000 3.233) 9.563 7.065 ( 0.059 0.000 -1.748) 1.749 7.171 ( 6.324 0.000 -4.358) 7.680 7.273 ( -2.502 0.000 1.085) 2.727 7.280 ( 13.697 0.000 -2.232) 13.877 7.414 ( -7.013 0.000 -2.632) 7.490 7.514 ( 10.969 0.000 5.897) 12.454 7.528 ( -1.436 0.000 2.133) 2.571 7.689 ( -2.408 0.000 -4.638) 5.226 7.854 ( -2.159 0.000 1.714) 2.757 7.858 ( 4.844 0.000 -0.193) 4.847 8.070 ( 3.266 0.000 1.716) 3.690 8.104 ( 1.667 0.000 -0.901) 1.895 8.125 ( -0.121 0.000 -2.642) 2.645 8.339 ( -4.327 0.000 0.230) 4.333 8.417 ( 1.911 0.000 -8.726) 8.932 8.472 ( 0.308 0.000 -3.002) 3.017 8.485 ( 1.805 0.000 -3.820) 4.225 8.567 ( -1.646 0.000 -4.086) 4.405 8.619 ( 0.240 0.000 1.285) 1.308 8.689 ( 1.020 0.000 0.902) 1.362 8.795 ( 0.421 0.000 2.810) 2.841 8.914 ( -2.303 0.000 -1.126) 2.563 9.038 ( -0.995 0.000 2.519) 2.708 9.122 ( 4.782 0.000 4.346) 6.462 9.277 ( -0.482 0.000 -0.215) 0.528 9.325 ( 2.255 0.000 -2.498) 3.365 9.442 ( -1.972 0.000 1.320) 2.373 9.487 ( 3.022 0.000 5.005) 5.847 9.707 ( 7.948 0.000 1.154) 8.031 9.729 ( 0.063 0.000 -1.423) 1.424 9.866 ( 4.319 0.000 -0.152) 4.321 9.975 ( -5.178 0.000 3.497) 6.248 9.989 ( -4.705 0.000 4.089) 6.234 10.108 ( -1.445 0.000 -4.858) 5.068 10.144 ( 1.845 0.000 3.767) 4.195 10.270 ( -2.205 0.000 -2.247) 3.148 10.413 ( 1.888 0.000 -1.238) 2.258 10.481 ( -0.155 0.000 -2.301) 2.306 10.645 ( -7.578 0.000 -3.756) 8.457 10.678 ( -5.873 0.000 -1.801) 6.143 10.780 ( 10.669 0.000 -3.018) 11.087 10.880 ( 3.965 0.000 -1.967) 4.427 11.087 ( -0.340 0.000 7.827) 7.835 11.123 ( -3.086 0.000 -4.339) 5.324 11.169 ( -6.242 0.000 -4.834) 7.895 11.405 ( -9.415 0.000 -0.055) 9.415 11.497 ( 4.596 0.000 3.879) 6.014 11.504 ( 7.091 0.000 6.490) 9.613 11.624 ( 3.706 0.000 -3.133) 4.853 11.758 ( 1.202 0.000 -2.081) 2.404 11.773 ( 3.410 0.000 4.136) 5.361 12.054 ( 4.023 0.000 -0.802) 4.102 12.165 ( -2.929 0.000 -1.574) 3.325 12.476 ( 3.015 0.000 0.335) 3.033 12.577 ( 6.130 0.000 8.594) 10.556 12.677 ( 0.266 0.000 -7.576) 7.581 12.705 ( -5.162 0.000 -1.687) 5.431 13.009 ( 1.576 0.000 4.437) 4.708 13.291 ( 0.225 0.000 -4.951) 4.956 13.380 ( 4.820 0.000 -2.793) 5.571 13.787 ( -3.988 0.000 -1.616) 4.303 13.811 ( -3.505 0.000 2.978) 4.599 14.023 ( -2.864 0.000 1.777) 3.371 14.194 ( 2.018 0.000 -4.021) 4.499 14.530 ( -8.738 0.000 0.769) 8.772 14.597 ( -3.889 0.000 3.673) 5.349 14.774 ( -2.428 0.000 1.214) 2.715 14.803 ( 0.894 0.000 0.394) 0.978 14.805 ( -4.280 0.000 -7.113) 8.302 14.988 ( -7.689 0.000 -6.837) 10.289 14.992 ( -0.797 0.000 -1.620) 1.805 15.112 ( -6.079 0.000 6.184) 8.671 15.157 ( -5.200 0.000 2.764) 5.889 15.271 ( 2.721 0.000 -1.674) 3.195 15.452 ( 8.521 0.000 9.314) 12.624 15.714 ( -4.428 0.000 8.833) 9.881 16.003 ( 3.260 0.000 -6.092) 6.910 16.204 ( -2.203 0.000 0.542) 2.269 16.211 ( -8.423 0.000 -4.625) 9.609 16.495 ( 0.740 0.000 0.250) 0.781 16.781 ( -3.367 0.000 5.111) 6.120 16.842 ( 2.213 0.000 1.306) 2.569 16.887 ( 2.469 0.000 -7.804) 8.186 17.140 ( -4.768 0.000 -0.744) 4.826 18.117 ( 6.280 0.000 2.707) 6.838 18.121 ( 1.981 0.000 -1.796) 2.674 18.273 ( -1.572 0.000 -0.545) 1.663 18.456 ( 5.955 0.000 -2.305) 6.385 18.815 ( 3.611 0.000 0.186) 3.616 18.974 ( 5.210 0.000 -1.905) 5.547 19.177 ( 3.405 0.000 1.775) 3.840 19.405 ( 1.191 0.000 -6.079) 6.195 24.919 ( -0.841 0.000 1.401) 1.634 25.139 ( 0.168 0.000 -4.013) 4.016 25.590 ( -4.297 0.000 4.191) 6.003 26.136 ( -3.762 0.000 -10.700) 11.342 26.718 ( 0.979 0.000 1.177) 1.531 26.870 ( -1.564 0.000 -3.974) 4.271 26.886 ( 2.134 0.000 0.532) 2.199 26.931 ( 0.450 0.000 -2.070) 2.119 27.782 ( 1.372 0.000 1.206) 1.827 27.803 ( -0.568 0.000 -0.277) 0.632 28.073 ( 0.226 0.000 3.507) 3.514 28.192 ( 0.210 0.000 -0.232) 0.313 28.207 ( -0.106 0.000 11.756) 11.756 28.521 ( -2.199 0.000 8.064) 8.358 28.847 ( -1.317 0.000 -6.465) 6.598 29.150 ( -12.075 0.000 -1.662) 12.189 29.160 ( -4.793 0.000 2.464) 5.389 29.320 ( -2.040 0.000 -6.620) 6.927 29.353 ( -1.111 0.000 -1.117) 1.576 29.596 ( 6.703 0.000 -1.624) 6.897 29.721 ( -5.779 0.000 -1.691) 6.021 29.850 ( 1.172 0.000 -7.743) 7.831 29.943 ( 18.175 0.000 11.496) 21.506 30.081 ( 7.414 0.000 2.289) 7.759 30.516 ( -0.392 0.000 4.298) 4.316 30.836 ( -1.502 0.000 -5.285) 5.494 30.859 ( 0.713 0.000 6.286) 6.326 31.193 ( -1.958 0.000 -3.209) 3.759 ======================= Grid point 40 (18/54) ======================= q-point: (-0.29 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 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 Number of triplets: 54 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.532 ( -21.788 0.000 13.631) 25.701 1.663 ( -25.471 0.000 12.300) 28.286 1.825 ( 17.011 0.000 4.845) 17.688 2.201 ( 11.938 0.000 -1.882) 12.086 2.289 ( -24.152 0.000 -0.807) 24.166 2.414 ( 3.926 0.000 -2.432) 4.618 2.540 ( 1.071 0.000 1.674) 1.987 2.599 ( -7.489 0.000 -9.475) 12.077 2.651 ( -4.837 0.000 2.344) 5.375 2.768 ( -0.565 0.000 -0.666) 0.873 3.126 ( -9.120 0.000 -7.814) 12.010 3.152 ( -0.384 0.000 0.353) 0.521 3.408 ( 2.970 0.000 -14.559) 14.859 3.454 ( -23.986 0.000 10.661) 26.248 3.542 ( -6.969 0.000 0.645) 6.999 3.568 ( 2.728 0.000 -1.836) 3.288 3.664 ( 9.422 0.000 -7.173) 11.842 3.793 ( -8.543 0.000 8.917) 12.349 3.857 ( 7.193 0.000 -0.366) 7.202 3.965 ( -4.927 0.000 0.565) 4.960 4.059 ( -3.609 0.000 -6.239) 7.208 4.148 ( -2.460 0.000 0.016) 2.460 4.152 ( -3.962 0.000 -5.972) 7.167 4.257 ( -2.582 0.000 -5.770) 6.322 4.310 ( 2.323 0.000 2.567) 3.462 4.347 ( -2.295 0.000 -6.067) 6.486 4.480 ( 1.832 0.000 3.760) 4.182 4.486 ( -12.948 0.000 5.401) 14.029 4.550 ( 6.594 0.000 1.855) 6.850 4.675 ( 8.799 0.000 1.397) 8.909 4.771 ( -1.358 0.000 7.563) 7.684 4.792 ( 3.119 0.000 8.715) 9.256 4.822 ( 10.549 0.000 3.257) 11.041 4.932 ( -1.728 0.000 6.884) 7.098 5.023 ( -0.697 0.000 -2.352) 2.453 5.055 ( -7.544 0.000 1.218) 7.642 5.115 ( -4.179 0.000 -3.444) 5.415 5.224 ( -3.684 0.000 1.627) 4.027 5.353 ( -10.804 0.000 0.526) 10.817 5.449 ( 6.177 0.000 -0.317) 6.186 5.466 ( 2.916 0.000 4.468) 5.335 5.547 ( -13.388 0.000 3.322) 13.794 5.582 ( -10.941 0.000 5.014) 12.035 5.752 ( -4.376 0.000 -11.924) 12.702 5.801 ( 1.665 0.000 -0.709) 1.809 5.846 ( 3.173 0.000 -5.606) 6.441 6.040 ( -7.910 0.000 4.842) 9.274 6.065 ( -5.117 0.000 -4.432) 6.769 6.114 ( 1.202 0.000 3.037) 3.267 6.176 ( -4.827 0.000 -0.681) 4.875 6.271 ( 9.294 0.000 4.050) 10.138 6.284 ( -5.569 0.000 -2.345) 6.043 6.398 ( -5.772 0.000 12.847) 14.084 6.546 ( -5.810 0.000 -18.976) 19.846 6.573 ( 2.020 0.000 1.974) 2.824 6.793 ( 5.203 0.000 1.759) 5.492 6.854 ( 6.217 0.000 -5.147) 8.071 7.023 ( 6.541 0.000 -8.371) 10.623 7.045 ( 2.531 0.000 6.422) 6.902 7.067 ( 6.555 0.000 8.000) 10.343 7.251 ( 10.793 0.000 -1.916) 10.962 7.268 ( -2.580 0.000 -1.505) 2.987 7.372 ( 7.955 0.000 -6.765) 10.442 7.372 ( 5.082 0.000 8.627) 10.012 7.444 ( 3.266 0.000 -8.335) 8.952 7.554 ( 4.503 0.000 4.711) 6.517 7.692 ( 7.809 0.000 5.379) 9.482 7.747 ( -7.728 0.000 -2.850) 8.236 7.798 ( 9.536 0.000 3.374) 10.116 7.958 ( 6.514 0.000 1.018) 6.593 8.100 ( -2.125 0.000 1.882) 2.839 8.120 ( 1.380 0.000 3.857) 4.096 8.197 ( 7.864 0.000 -1.824) 8.073 8.282 ( -1.088 0.000 5.453) 5.561 8.430 ( -0.244 0.000 -5.508) 5.513 8.463 ( -4.120 0.000 -4.051) 5.778 8.525 ( 1.186 0.000 -0.475) 1.277 8.580 ( 7.225 0.000 -4.149) 8.332 8.620 ( -0.705 0.000 -0.964) 1.194 8.733 ( 2.266 0.000 -3.705) 4.343 8.794 ( -0.813 0.000 1.746) 1.926 8.815 ( -5.633 0.000 -0.787) 5.688 9.054 ( 1.358 0.000 -1.776) 2.236 9.170 ( -10.007 0.000 1.488) 10.117 9.246 ( 6.976 0.000 7.113) 9.963 9.401 ( 3.638 0.000 -0.652) 3.696 9.451 ( 2.130 0.000 -0.893) 2.310 9.539 ( 2.199 0.000 4.164) 4.709 9.680 ( -3.944 0.000 -2.829) 4.853 9.840 ( -6.032 0.000 -0.798) 6.084 9.879 ( -2.694 0.000 3.050) 4.069 9.897 ( 10.022 0.000 -1.617) 10.152 10.000 ( 4.757 0.000 2.380) 5.319 10.084 ( -6.687 0.000 -2.608) 7.178 10.177 ( 2.448 0.000 3.566) 4.325 10.243 ( 4.227 0.000 1.072) 4.361 10.431 ( -0.219 0.000 -3.138) 3.146 10.503 ( -4.170 0.000 2.953) 5.110 10.518 ( 2.095 0.000 -0.350) 2.125 10.574 ( -3.623 0.000 2.959) 4.678 10.896 ( -1.434 0.000 -3.246) 3.549 10.939 ( 2.401 0.000 0.281) 2.418 11.064 ( -1.395 0.000 -0.915) 1.668 11.087 ( -1.963 0.000 -3.404) 3.930 11.168 ( 8.448 0.000 -2.365) 8.772 11.299 ( -1.242 0.000 -2.747) 3.015 11.475 ( 0.079 0.000 -1.416) 1.418 11.612 ( 3.646 0.000 7.448) 8.292 11.701 ( 2.855 0.000 -1.215) 3.103 11.871 ( 4.986 0.000 2.553) 5.602 11.888 ( 7.272 0.000 5.872) 9.347 12.097 ( 0.525 0.000 1.341) 1.440 12.234 ( 9.647 0.000 -1.496) 9.762 12.552 ( 4.130 0.000 0.321) 4.143 12.596 ( -4.630 0.000 -1.052) 4.748 12.685 ( 0.714 0.000 -7.169) 7.204 12.752 ( 11.229 0.000 5.427) 12.472 13.019 ( -0.779 0.000 2.386) 2.509 13.340 ( 5.252 0.000 -3.562) 6.346 13.395 ( -5.353 0.000 -9.745) 11.118 13.704 ( -7.531 0.000 1.715) 7.724 13.724 ( -8.758 0.000 0.411) 8.767 13.937 ( 0.971 0.000 5.008) 5.102 14.203 ( -1.229 0.000 -1.614) 2.029 14.309 ( -12.292 0.000 -0.730) 12.313 14.448 ( -12.100 0.000 4.901) 13.054 14.657 ( -6.970 0.000 3.315) 7.718 14.672 ( -10.103 0.000 -9.327) 13.750 14.741 ( -13.501 0.000 -9.428) 16.467 14.794 ( -1.459 0.000 0.848) 1.687 14.918 ( -7.006 0.000 -4.856) 8.524 14.999 ( -4.505 0.000 8.178) 9.337 15.101 ( -2.383 0.000 1.630) 2.887 15.345 ( 4.295 0.000 -0.058) 4.296 15.559 ( -0.067 0.000 7.286) 7.286 15.569 ( -9.496 0.000 6.602) 11.566 16.045 ( -6.208 0.000 -7.008) 9.362 16.070 ( 1.279 0.000 -0.910) 1.570 16.182 ( 2.052 0.000 -4.822) 5.240 16.497 ( 0.120 0.000 1.855) 1.859 16.693 ( -5.084 0.000 2.913) 5.859 16.862 ( -7.096 0.000 -12.766) 14.606 16.862 ( -0.967 0.000 3.387) 3.522 17.055 ( -1.757 0.000 0.986) 2.015 18.196 ( 4.575 0.000 -0.137) 4.577 18.229 ( 3.790 0.000 1.752) 4.175 18.299 ( 4.467 0.000 -4.547) 6.374 18.668 ( 15.957 0.000 1.910) 16.071 18.948 ( 9.076 0.000 0.932) 9.123 19.125 ( 9.283 0.000 -1.181) 9.358 19.285 ( 7.113 0.000 0.725) 7.150 19.418 ( 0.027 0.000 -6.788) 6.788 24.903 ( -0.424 0.000 1.140) 1.216 25.131 ( -0.798 0.000 -3.886) 3.967 25.437 ( -10.801 0.000 3.449) 11.338 25.980 ( -12.206 0.000 -17.456) 21.300 26.765 ( 3.342 0.000 0.211) 3.349 26.833 ( -1.301 0.000 -2.694) 2.992 26.933 ( 2.479 0.000 1.605) 2.953 26.962 ( 1.962 0.000 -0.821) 2.127 27.792 ( -0.397 0.000 -0.399) 0.563 27.799 ( 0.125 0.000 0.801) 0.811 28.087 ( 1.092 0.000 3.102) 3.288 28.184 ( -1.370 0.000 -0.236) 1.390 28.203 ( -0.395 0.000 9.739) 9.747 28.503 ( -0.382 0.000 7.100) 7.110 28.764 ( -5.955 0.000 -2.549) 6.477 28.928 ( -9.147 0.000 -3.437) 9.772 28.986 ( -10.851 0.000 1.224) 10.920 29.153 ( -11.915 0.000 -2.303) 12.136 29.380 ( 2.735 0.000 10.034) 10.400 29.668 ( 0.978 0.000 -5.508) 5.594 29.812 ( 13.145 0.000 -4.687) 13.955 29.918 ( 6.274 0.000 -13.925) 15.273 30.264 ( 7.386 0.000 0.881) 7.438 30.302 ( 16.102 0.000 11.009) 19.506 30.510 ( 0.127 0.000 5.516) 5.518 30.791 ( -2.956 0.000 -6.503) 7.143 30.876 ( 1.294 0.000 10.774) 10.851 31.170 ( 1.098 0.000 -0.223) 1.121 ======================= Grid point 41 (19/54) ======================= q-point: (-0.14 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 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 Number of triplets: 54 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.076 ( -23.904 0.000 26.728) 35.858 1.097 ( -27.308 0.000 27.078) 38.458 1.546 ( -43.687 0.000 17.996) 47.248 2.148 ( 11.705 0.000 -6.947) 13.612 2.372 ( -6.609 0.000 1.207) 6.718 2.455 ( -6.030 0.000 1.639) 6.249 2.500 ( -2.626 0.000 -7.390) 7.842 2.570 ( 16.237 0.000 -2.586) 16.441 2.673 ( 8.515 0.000 1.733) 8.689 2.761 ( -0.410 0.000 3.339) 3.364 3.019 ( -6.859 0.000 -10.616) 12.639 3.111 ( -9.510 0.000 4.409) 10.482 3.161 ( 3.825 0.000 1.840) 4.245 3.320 ( -13.050 0.000 -7.411) 15.007 3.322 ( -2.648 0.000 -14.755) 14.990 3.582 ( 1.021 0.000 4.867) 4.973 3.773 ( -0.057 0.000 -6.302) 6.302 3.784 ( 1.121 0.000 -8.383) 8.457 3.807 ( -7.394 0.000 7.039) 10.209 3.930 ( -3.435 0.000 9.190) 9.811 4.007 ( -2.000 0.000 -1.337) 2.406 4.096 ( -4.090 0.000 8.506) 9.438 4.169 ( -1.552 0.000 -4.251) 4.525 4.210 ( -7.610 0.000 -1.082) 7.686 4.224 ( -1.276 0.000 -7.182) 7.294 4.330 ( 1.685 0.000 2.257) 2.817 4.388 ( -3.183 0.000 -0.750) 3.270 4.397 ( 1.463 0.000 7.096) 7.246 4.752 ( 9.509 0.000 -7.648) 12.203 4.755 ( -8.998 0.000 -3.784) 9.761 4.819 ( 2.363 0.000 5.034) 5.561 4.829 ( -6.003 0.000 16.121) 17.202 4.922 ( 4.942 0.000 -3.123) 5.846 4.923 ( -2.425 0.000 7.046) 7.451 4.965 ( -7.552 0.000 -3.236) 8.216 5.042 ( 4.448 0.000 3.412) 5.606 5.073 ( 2.797 0.000 -4.556) 5.346 5.094 ( -1.659 0.000 0.529) 1.741 5.109 ( 0.233 0.000 11.000) 11.002 5.345 ( -11.835 0.000 0.863) 11.866 5.409 ( -0.641 0.000 -3.544) 3.601 5.565 ( -2.653 0.000 -6.370) 6.901 5.566 ( 4.698 0.000 1.212) 4.851 5.678 ( 7.327 0.000 -1.133) 7.415 5.838 ( 0.481 0.000 -4.086) 4.114 5.848 ( -1.115 0.000 -2.339) 2.591 5.911 ( -8.036 0.000 -3.917) 8.940 5.960 ( -13.046 0.000 -3.681) 13.556 6.061 ( 4.136 0.000 -8.802) 9.726 6.126 ( 0.834 0.000 3.739) 3.831 6.170 ( -2.499 0.000 -3.162) 4.031 6.288 ( -0.829 0.000 4.498) 4.574 6.555 ( 4.843 0.000 -10.944) 11.968 6.616 ( 6.671 0.000 2.581) 7.153 6.665 ( 13.617 0.000 0.522) 13.627 6.827 ( -0.314 0.000 0.314) 0.443 6.968 ( -7.323 0.000 -2.057) 7.607 7.000 ( 6.936 0.000 0.540) 6.957 7.146 ( 2.697 0.000 5.358) 5.998 7.194 ( 6.306 0.000 7.718) 9.967 7.298 ( 3.981 0.000 2.453) 4.676 7.380 ( -0.344 0.000 -11.003) 11.008 7.423 ( 4.303 0.000 -2.599) 5.026 7.442 ( 2.068 0.000 8.271) 8.526 7.513 ( 1.512 0.000 -10.045) 10.158 7.603 ( -5.136 0.000 0.409) 5.152 7.719 ( 9.123 0.000 3.072) 9.627 7.818 ( 2.903 0.000 -0.328) 2.921 7.865 ( -0.376 0.000 -1.631) 1.674 8.020 ( -4.662 0.000 0.949) 4.757 8.062 ( -0.546 0.000 5.139) 5.168 8.225 ( 4.469 0.000 2.126) 4.949 8.266 ( -2.049 0.000 1.482) 2.529 8.277 ( -0.571 0.000 2.186) 2.259 8.419 ( -0.428 0.000 -2.230) 2.271 8.421 ( 1.816 0.000 -1.711) 2.495 8.593 ( 5.330 0.000 2.274) 5.795 8.603 ( -1.174 0.000 -2.402) 2.674 8.652 ( -5.839 0.000 -1.463) 6.019 8.701 ( 4.006 0.000 -4.065) 5.707 8.762 ( -1.927 0.000 -0.770) 2.076 8.853 ( 6.018 0.000 0.353) 6.028 8.985 ( -0.917 0.000 9.898) 9.941 9.052 ( -1.370 0.000 -3.880) 4.115 9.378 ( 4.063 0.000 7.370) 8.416 9.426 ( -1.033 0.000 3.249) 3.409 9.453 ( -2.053 0.000 -4.891) 5.304 9.566 ( 0.265 0.000 0.562) 0.621 9.667 ( 2.407 0.000 0.660) 2.496 9.760 ( -0.719 0.000 4.020) 4.084 9.877 ( 2.316 0.000 -1.364) 2.687 9.940 ( -5.246 0.000 -2.161) 5.674 10.017 ( -1.864 0.000 -0.538) 1.940 10.053 ( 4.260 0.000 -0.001) 4.260 10.269 ( 5.304 0.000 1.287) 5.458 10.312 ( 0.529 0.000 0.911) 1.054 10.430 ( -1.948 0.000 3.915) 4.373 10.452 ( 3.906 0.000 -1.250) 4.102 10.533 ( -0.934 0.000 1.628) 1.877 10.670 ( 9.836 0.000 8.020) 12.691 10.797 ( -4.188 0.000 -14.464) 15.058 10.927 ( -4.926 0.000 -1.113) 5.050 11.068 ( 0.902 0.000 4.730) 4.815 11.113 ( 4.604 0.000 5.503) 7.175 11.322 ( 10.374 0.000 6.296) 12.135 11.419 ( 13.251 0.000 -1.635) 13.352 11.567 ( 7.180 0.000 -3.633) 8.047 11.661 ( 1.125 0.000 5.253) 5.372 11.750 ( 3.218 0.000 0.242) 3.227 11.896 ( -0.971 0.000 1.457) 1.751 12.047 ( 11.334 0.000 15.789) 19.436 12.119 ( 1.347 0.000 -0.985) 1.669 12.401 ( 4.693 0.000 1.876) 5.054 12.549 ( -0.131 0.000 1.229) 1.236 12.615 ( 2.168 0.000 -2.194) 3.084 12.691 ( 0.222 0.000 -6.704) 6.707 12.964 ( -5.709 0.000 -0.879) 5.776 13.004 ( 12.257 0.000 2.685) 12.548 13.227 ( -7.801 0.000 -8.685) 11.674 13.423 ( -15.985 0.000 1.673) 16.073 13.459 ( -0.544 0.000 -5.727) 5.753 13.540 ( -3.330 0.000 0.361) 3.349 14.031 ( -1.845 0.000 5.607) 5.902 14.089 ( -10.488 0.000 -1.959) 10.669 14.151 ( -3.903 0.000 0.105) 3.904 14.188 ( -7.558 0.000 0.018) 7.558 14.390 ( -15.371 0.000 -10.086) 18.384 14.552 ( -4.663 0.000 3.854) 6.050 14.560 ( -5.769 0.000 -10.326) 11.828 14.744 ( -8.417 0.000 1.631) 8.573 14.797 ( 0.898 0.000 -0.248) 0.931 14.931 ( -2.644 0.000 1.569) 3.075 15.039 ( -4.309 0.000 0.439) 4.331 15.383 ( -8.966 0.000 -5.832) 10.696 15.398 ( -7.233 0.000 4.028) 8.279 15.446 ( -2.166 0.000 3.481) 4.100 16.017 ( 2.318 0.000 -0.215) 2.328 16.062 ( -0.182 0.000 -0.111) 0.213 16.267 ( 4.867 0.000 -4.020) 6.312 16.475 ( -5.178 0.000 -2.632) 5.809 16.593 ( -5.156 0.000 -0.606) 5.191 16.684 ( -6.690 0.000 -9.342) 11.491 16.826 ( -2.388 0.000 5.889) 6.354 16.996 ( -6.364 0.000 -3.485) 7.256 18.260 ( 2.066 0.000 0.827) 2.225 18.269 ( 0.744 0.000 1.067) 1.301 18.431 ( 7.904 0.000 -3.291) 8.561 18.998 ( 12.418 0.000 -3.135) 12.807 19.122 ( 7.526 0.000 1.857) 7.751 19.287 ( 6.540 0.000 -1.268) 6.662 19.395 ( -1.139 0.000 -4.875) 5.006 19.424 ( 6.267 0.000 -0.559) 6.292 24.919 ( 2.352 0.000 0.884) 2.513 25.111 ( -0.932 0.000 -3.943) 4.051 25.213 ( -11.306 0.000 2.089) 11.497 25.597 ( -28.076 0.000 -24.115) 37.011 26.829 ( 2.908 0.000 -0.657) 2.982 26.841 ( 2.651 0.000 -0.154) 2.656 26.973 ( 1.225 0.000 2.054) 2.392 26.995 ( 1.324 0.000 0.639) 1.470 27.788 ( -0.932 0.000 0.157) 0.945 27.788 ( -0.025 0.000 -0.236) 0.237 28.104 ( -0.264 0.000 -0.320) 0.415 28.138 ( -2.829 0.000 -0.491) 2.871 28.219 ( 2.245 0.000 8.202) 8.503 28.496 ( -0.703 0.000 7.703) 7.735 28.651 ( -4.836 0.000 -0.424) 4.854 28.793 ( -7.731 0.000 0.795) 7.771 28.814 ( -2.391 0.000 -3.815) 4.503 28.935 ( -9.394 0.000 -1.831) 9.571 29.470 ( 5.268 0.000 9.637) 10.983 29.741 ( 6.823 0.000 0.835) 6.874 30.009 ( 5.516 0.000 -17.295) 18.153 30.076 ( 10.309 0.000 -4.905) 11.417 30.335 ( 1.429 0.000 -0.018) 1.430 30.488 ( 1.918 0.000 1.859) 2.671 30.512 ( -1.196 0.000 2.725) 2.976 30.680 ( -10.075 0.000 -9.380) 13.765 30.927 ( 2.696 0.000 18.129) 18.329 31.380 ( 24.365 0.000 13.821) 28.012 ======================= Grid point 42 (20/54) ======================= q-point: ( 0.00 0.20 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 Number of triplets: 88 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.804 ( 5.751 17.361 20.448) 27.433 1.113 ( 7.629 26.582 27.513) 39.010 1.825 ( 1.301 38.813 40.790) 56.320 2.124 ( 1.097 -5.796 -7.892) 9.853 2.335 ( -1.382 -1.447 -3.585) 4.106 2.510 ( 2.163 8.349 3.592) 9.343 2.600 ( -5.162 4.148 -2.490) 7.075 2.651 ( 0.582 2.578 -3.800) 4.629 2.791 ( -0.718 5.289 -6.122) 8.122 2.850 ( -0.941 10.711 -1.104) 10.809 2.933 ( 7.659 5.554 -0.262) 9.464 2.995 ( -13.175 -0.280 6.716) 14.790 3.105 ( 1.053 4.465 -1.392) 4.794 3.388 ( 5.525 0.887 -5.810) 8.067 3.508 ( -2.507 7.048 -10.775) 13.117 3.649 ( -1.091 -1.656 1.034) 2.237 3.664 ( 9.081 3.983 0.410) 9.924 3.708 ( 0.430 2.567 -0.008) 2.603 3.797 ( -1.062 2.149 -1.411) 2.781 3.908 ( 1.401 -1.913 -6.048) 6.496 3.966 ( 0.320 3.065 -1.566) 3.457 4.014 ( -2.209 0.231 7.042) 7.384 4.119 ( -2.417 -2.992 -2.367) 4.516 4.207 ( 1.342 -1.684 1.232) 2.481 4.238 ( -5.772 -1.864 4.578) 7.599 4.258 ( -3.362 7.177 3.208) 8.550 4.394 ( -0.163 0.157 0.738) 0.772 4.491 ( -2.010 -0.319 6.582) 6.890 4.589 ( 5.862 -2.054 -6.328) 8.867 4.694 ( -7.843 -2.643 4.743) 9.539 4.724 ( -5.150 1.511 8.618) 10.153 4.784 ( -4.183 -8.945 -4.107) 10.695 4.830 ( 1.242 1.084 -0.407) 1.698 4.938 ( 5.106 -5.130 -4.080) 8.308 5.023 ( 5.383 3.905 -0.500) 6.669 5.077 ( 2.185 -1.068 -3.295) 4.095 5.093 ( 2.121 1.678 0.917) 2.856 5.172 ( -0.480 -0.358 1.235) 1.372 5.204 ( -0.077 0.639 3.037) 3.104 5.347 ( 0.580 0.885 1.178) 1.584 5.405 ( 4.436 2.066 -1.347) 5.076 5.553 ( -6.421 -5.062 3.291) 8.814 5.602 ( 3.488 3.610 -1.900) 5.367 5.652 ( -4.715 -1.819 -3.497) 6.146 5.689 ( -1.678 -1.642 -3.766) 4.438 5.908 ( 1.760 5.824 -12.601) 13.993 5.931 ( 1.673 1.354 -1.580) 2.670 6.016 ( 2.090 6.862 -0.555) 7.195 6.134 ( -0.307 1.007 -5.912) 6.006 6.187 ( 1.117 6.667 -5.946) 9.003 6.268 ( -0.130 3.594 -1.648) 3.956 6.314 ( 1.935 8.054 -4.020) 9.207 6.620 ( -1.382 -2.473 -3.501) 4.504 6.699 ( 6.459 -0.353 -4.742) 8.020 6.749 ( -7.356 0.245 1.979) 7.622 6.809 ( 0.209 -1.980 0.637) 2.091 6.933 ( 4.780 -0.184 4.107) 6.305 6.950 ( -0.298 -12.233 -1.154) 12.291 7.083 ( -1.737 -8.737 7.239) 11.479 7.110 ( -7.580 -11.487 -3.321) 14.157 7.239 ( 5.609 -2.688 1.930) 6.512 7.349 ( -11.263 0.039 -5.695) 12.621 7.413 ( 2.191 2.435 -3.161) 4.552 7.485 ( 0.422 -1.431 1.932) 2.441 7.516 ( 7.220 0.927 -9.736) 12.156 7.585 ( 1.674 -5.537 1.263) 5.921 7.794 ( -2.737 3.512 -2.671) 5.192 7.827 ( -6.632 -0.141 -0.266) 6.639 7.875 ( 3.344 2.999 -0.188) 4.495 7.930 ( 0.785 -1.197 -2.579) 2.950 8.001 ( -0.878 -4.235 1.694) 4.645 8.147 ( -4.610 -2.807 3.390) 6.374 8.199 ( 1.516 1.531 3.622) 4.214 8.245 ( -5.813 -2.157 0.638) 6.233 8.367 ( 1.621 -5.120 9.033) 10.509 8.427 ( 0.204 0.402 -1.030) 1.125 8.522 ( 0.652 -3.958 1.508) 4.286 8.630 ( -1.190 -1.278 0.237) 1.762 8.649 ( 1.091 2.686 -2.598) 3.893 8.732 ( 3.125 0.532 -0.974) 3.316 8.818 ( -1.967 3.680 2.810) 5.031 8.899 ( -0.755 0.758 0.966) 1.441 9.027 ( 2.396 -1.793 3.287) 4.445 9.140 ( 5.568 -6.928 6.055) 10.755 9.300 ( 2.081 -7.102 7.999) 10.897 9.377 ( -4.897 -5.729 3.803) 8.442 9.391 ( 0.174 -4.211 -0.055) 4.215 9.500 ( -1.933 4.420 -2.276) 5.334 9.641 ( -4.240 4.756 -0.741) 6.415 9.831 ( 2.572 -0.063 -0.713) 2.669 9.925 ( 0.263 6.382 4.026) 7.550 9.974 ( -1.377 2.762 -0.402) 3.113 10.082 ( -1.286 3.882 -1.732) 4.441 10.231 ( -4.486 5.844 -5.854) 9.410 10.283 ( 1.781 -4.578 6.199) 7.909 10.323 ( 5.831 -2.612 2.007) 6.697 10.476 ( -0.620 4.722 -1.518) 4.999 10.538 ( 3.512 -0.836 -1.911) 4.085 10.554 ( 2.222 2.236 -1.162) 3.359 10.605 ( -3.681 5.018 -5.052) 8.016 10.796 ( -3.759 -0.999 -2.567) 4.660 10.938 ( 3.908 -2.508 -0.984) 4.746 11.070 ( -3.443 2.634 3.743) 5.727 11.178 ( -2.225 0.432 3.009) 3.767 11.484 ( 6.973 -5.950 2.980) 9.639 11.509 ( 0.690 -5.982 0.776) 6.071 11.632 ( -1.573 -3.709 -0.514) 4.061 11.651 ( 1.509 -3.855 2.325) 4.748 11.847 ( 4.115 -9.202 1.571) 10.202 11.901 ( -1.479 -1.904 -0.557) 2.474 11.973 ( 1.336 3.992 6.275) 7.556 12.277 ( 0.495 -6.331 3.114) 7.073 12.566 ( -1.385 2.023 -1.131) 2.700 12.624 ( -1.761 -0.373 -5.842) 6.114 12.671 ( -6.785 -0.615 -8.438) 10.845 12.692 ( -6.145 0.789 -8.252) 10.318 12.935 ( 8.869 -1.512 3.867) 9.793 13.035 ( -3.912 -2.936 -0.746) 4.948 13.201 ( 1.044 1.985 -0.651) 2.336 13.262 ( 23.713 0.487 -0.824) 23.732 13.402 ( 6.471 4.407 3.574) 8.607 13.616 ( -2.526 0.111 -3.591) 4.391 13.876 ( -1.103 -2.503 -2.240) 3.536 13.891 ( -3.994 3.306 -1.714) 5.461 14.067 ( 3.398 -0.346 2.797) 4.415 14.145 ( -2.030 0.676 0.228) 2.152 14.231 ( 5.718 -0.356 9.951) 11.482 14.534 ( -4.999 1.685 -0.870) 5.346 14.687 ( -3.486 7.796 -3.249) 9.137 14.730 ( 5.376 1.969 -6.300) 8.513 14.864 ( 3.169 -0.805 0.689) 3.342 14.917 ( -0.765 -0.448 -2.335) 2.498 15.057 ( 5.479 -0.338 -3.997) 6.791 15.072 ( 3.781 1.590 -0.019) 4.102 15.432 ( -1.608 7.599 1.571) 7.924 15.550 ( 1.053 9.166 -0.639) 9.248 15.973 ( 0.537 -5.108 -2.249) 5.607 16.085 ( -2.903 -8.448 -3.269) 9.513 16.168 ( 4.690 4.186 4.599) 7.789 16.417 ( -4.632 -1.791 3.675) 6.178 16.453 ( -6.147 -6.609 -1.491) 9.148 16.553 ( 1.851 -4.516 0.907) 4.964 16.816 ( -2.492 2.063 4.651) 5.665 16.838 ( -3.618 2.940 4.800) 6.691 18.276 ( -0.744 0.281 0.987) 1.268 18.286 ( 0.734 0.196 0.895) 1.174 18.487 ( -2.268 -3.901 5.074) 6.790 18.634 ( -8.638 -6.504 1.123) 10.871 19.222 ( -0.369 1.535 2.240) 2.741 19.366 ( 1.408 -2.898 1.733) 3.659 19.423 ( 0.456 1.408 -2.064) 2.540 19.488 ( 0.012 -0.361 -1.344) 1.391 25.002 ( 1.711 0.692 0.984) 2.092 25.049 ( -1.976 -0.052 0.620) 2.072 25.095 ( -1.679 0.460 -1.166) 2.095 25.129 ( 2.171 -0.341 -0.991) 2.411 26.839 ( -0.289 -1.061 -0.649) 1.276 26.892 ( 2.160 -2.532 -2.775) 4.334 26.975 ( -2.149 0.444 1.160) 2.483 27.095 ( 3.021 1.329 -4.029) 5.208 27.876 ( -0.363 8.419 0.490) 8.441 27.929 ( -0.480 7.645 -0.695) 7.691 28.052 ( -2.528 -0.006 -0.238) 2.539 28.117 ( 0.240 1.165 -0.842) 1.457 28.249 ( 0.409 1.587 8.754) 8.906 28.476 ( 0.858 -2.609 6.819) 7.352 28.709 ( 0.663 -0.108 -1.113) 1.300 28.741 ( 1.952 4.524 -4.079) 6.396 28.801 ( 0.159 -1.763 -1.368) 2.237 28.843 ( 0.836 1.922 -3.099) 3.741 29.638 ( -3.760 11.114 -15.096) 19.119 29.902 ( -2.114 3.943 2.807) 5.282 30.019 ( -0.680 -2.758 -17.921) 18.144 30.189 ( 2.103 -2.734 -2.831) 4.462 30.377 ( 0.835 0.548 0.624) 1.178 30.433 ( -4.497 -1.180 -0.450) 4.671 30.478 ( 1.339 0.097 -0.579) 1.462 30.488 ( -1.338 0.438 -1.485) 2.046 30.949 ( -1.831 0.748 18.374) 18.480 31.510 ( 6.608 -24.642 14.815) 29.502 ======================= Grid point 43 (21/54) ======================= q-point: ( 0.14 0.20 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 Number of triplets: 88 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.153 ( 26.562 15.102 10.783) 32.402 1.418 ( 15.895 21.029 26.233) 37.189 2.022 ( -5.308 -5.048 -5.740) 9.306 2.296 ( 7.331 5.335 0.415) 9.076 2.359 ( 29.173 19.726 21.460) 41.239 2.458 ( -6.202 3.087 -3.533) 7.777 2.620 ( -6.796 9.809 -0.382) 11.939 2.629 ( 1.051 10.344 0.098) 10.398 2.800 ( -5.631 -4.849 0.306) 7.437 2.848 ( 6.689 15.801 0.742) 17.175 2.918 ( 6.384 3.232 1.127) 7.244 3.025 ( 3.688 0.559 5.154) 6.362 3.086 ( 0.159 -0.756 1.296) 1.509 3.334 ( -7.529 9.906 -9.775) 15.823 3.453 ( 11.552 3.652 -6.358) 13.682 3.659 ( -0.333 3.470 1.999) 4.019 3.739 ( -2.532 -3.472 -10.282) 11.144 3.756 ( 0.175 1.826 0.753) 1.983 3.909 ( -1.617 -1.613 -2.920) 3.708 4.013 ( 7.688 -4.002 -9.475) 12.842 4.016 ( 12.759 -0.729 -2.064) 12.945 4.106 ( 4.058 0.361 -0.409) 4.095 4.107 ( 5.093 -1.827 1.967) 5.757 4.202 ( -0.446 -0.174 -0.049) 0.481 4.248 ( 7.817 1.667 1.771) 8.187 4.339 ( 8.097 1.243 1.218) 8.282 4.390 ( 1.460 -1.507 0.110) 2.101 4.468 ( -2.306 0.920 16.142) 16.332 4.533 ( -2.326 5.059 -2.702) 6.189 4.615 ( -7.691 4.198 5.559) 10.377 4.662 ( 0.620 1.406 2.078) 2.584 4.754 ( -4.719 -3.027 -5.668) 7.972 4.820 ( 2.927 -1.954 1.036) 3.668 4.923 ( -5.889 1.015 0.314) 5.984 5.032 ( -4.298 0.084 -2.273) 4.863 5.116 ( -0.696 -3.011 -0.245) 3.100 5.148 ( -3.253 -2.430 -2.525) 4.781 5.210 ( 5.764 0.877 3.278) 6.689 5.264 ( 9.812 -6.734 1.798) 12.036 5.344 ( -0.645 -0.656 6.933) 6.994 5.438 ( 1.164 -0.595 3.821) 4.039 5.516 ( -2.318 0.576 -2.861) 3.727 5.554 ( 3.440 -1.344 -0.286) 3.704 5.671 ( 13.448 4.068 1.929) 14.182 5.727 ( -1.985 4.388 -3.741) 6.099 5.924 ( 0.070 5.039 -10.735) 11.860 5.989 ( 3.057 -0.593 1.186) 3.332 6.056 ( 0.598 3.509 -2.929) 4.609 6.092 ( -8.772 4.105 -3.990) 10.474 6.180 ( 3.794 1.864 -4.058) 5.860 6.254 ( -2.672 6.082 1.027) 6.722 6.309 ( 2.409 1.957 -4.648) 5.589 6.564 ( -6.417 1.022 -3.844) 7.550 6.617 ( 0.012 1.831 2.375) 2.998 6.722 ( -7.374 -8.864 -2.121) 11.724 6.800 ( 1.864 -4.710 0.710) 5.114 6.866 ( -12.287 -9.784 -3.740) 16.146 6.895 ( -4.096 -5.965 -2.313) 7.597 6.961 ( -7.472 -4.630 4.758) 9.995 7.141 ( 1.866 -2.675 5.356) 6.271 7.216 ( -2.300 -1.592 -1.602) 3.223 7.293 ( 4.061 0.902 3.255) 5.282 7.394 ( -4.034 -4.213 -0.802) 5.888 7.516 ( -0.691 -2.840 -2.205) 3.661 7.597 ( 4.685 0.978 -7.842) 9.187 7.630 ( -4.288 1.321 0.590) 4.525 7.685 ( -1.972 -2.322 -4.080) 5.092 7.789 ( -0.164 0.888 0.942) 1.305 7.860 ( -3.656 3.195 1.452) 5.068 7.953 ( 0.091 -1.132 -3.949) 4.109 8.007 ( 1.181 0.055 2.186) 2.485 8.086 ( -0.711 -1.257 2.898) 3.238 8.143 ( -4.803 2.238 2.706) 5.950 8.229 ( -0.533 -2.885 0.586) 2.992 8.432 ( 2.056 -3.624 4.719) 6.295 8.449 ( 2.216 -0.134 1.221) 2.533 8.524 ( -0.729 -5.625 3.618) 6.728 8.626 ( 1.669 2.798 -1.562) 3.613 8.679 ( 2.335 -7.539 -5.436) 9.583 8.700 ( -3.895 1.813 -2.691) 5.069 8.835 ( 3.394 6.129 2.390) 7.402 8.860 ( -2.977 -1.060 -2.890) 4.282 9.049 ( -0.956 0.021 6.448) 6.518 9.146 ( -2.608 -3.672 2.216) 5.020 9.248 ( -5.524 -6.445 8.193) 11.798 9.340 ( -1.320 -2.698 -3.046) 4.278 9.401 ( 1.753 -3.030 2.484) 4.292 9.521 ( 2.224 -4.482 0.167) 5.007 9.614 ( 2.242 8.720 -2.213) 9.271 9.824 ( -3.592 1.777 -0.696) 4.067 9.886 ( -2.629 5.188 3.876) 6.989 9.992 ( -3.643 1.319 -1.866) 4.300 10.055 ( 4.592 1.691 1.817) 5.220 10.143 ( -1.198 6.968 -3.793) 8.024 10.294 ( -1.048 -4.644 3.775) 6.076 10.378 ( -8.639 2.386 0.344) 8.969 10.412 ( -1.594 -0.343 3.938) 4.262 10.492 ( -1.185 0.148 0.578) 1.327 10.559 ( 3.038 1.328 3.107) 4.544 10.607 ( -0.935 7.070 -1.593) 7.307 10.825 ( -2.438 -2.166 0.289) 3.274 10.933 ( 4.037 -1.858 -2.166) 4.944 10.985 ( -6.220 2.647 -1.250) 6.875 11.125 ( -0.113 -1.302 -3.416) 3.657 11.433 ( -5.146 -0.567 -2.339) 5.681 11.465 ( -11.510 -3.274 2.136) 12.156 11.527 ( -1.656 -3.034 1.346) 3.710 11.725 ( 3.695 -5.372 0.717) 6.559 11.801 ( -7.819 -2.186 -2.310) 8.441 11.863 ( -1.371 -6.080 5.351) 8.214 11.964 ( -1.893 2.936 4.901) 6.018 12.176 ( -7.877 -2.356 6.560) 10.518 12.454 ( -4.555 2.609 0.196) 5.253 12.546 ( -1.144 -0.170 -1.683) 2.042 12.604 ( -3.330 -1.664 -3.047) 4.811 12.644 ( -1.212 -2.839 -10.934) 11.362 12.970 ( 0.802 5.221 2.767) 5.963 13.040 ( -8.392 6.111 -0.201) 10.383 13.303 ( 9.546 -5.716 -4.923) 12.167 13.434 ( -4.138 -0.981 -2.323) 4.846 13.558 ( 13.547 3.394 4.114) 14.559 13.662 ( 9.034 0.228 -1.458) 9.153 13.909 ( -0.528 -0.433 0.589) 0.902 14.095 ( 0.595 -1.908 0.534) 2.068 14.121 ( 12.249 -0.396 -2.961) 12.608 14.221 ( 8.629 -5.265 -0.275) 10.112 14.330 ( 5.271 3.262 5.117) 8.038 14.586 ( 8.382 4.371 -1.260) 9.536 14.679 ( 5.446 3.817 -5.202) 8.443 14.816 ( -0.996 -1.625 1.151) 2.227 14.851 ( 3.941 -3.662 -1.921) 5.712 14.954 ( -1.061 -1.706 -1.128) 2.304 15.051 ( 8.240 -1.852 3.209) 9.035 15.347 ( 3.304 1.449 6.898) 7.784 15.490 ( 3.697 3.387 -5.389) 7.361 15.601 ( 0.832 -1.767 -2.279) 3.001 16.044 ( 2.026 -7.607 0.639) 7.898 16.133 ( 0.820 -2.911 -2.363) 3.838 16.183 ( 5.411 3.234 -4.582) 7.793 16.435 ( 0.911 -1.528 0.176) 1.787 16.480 ( 8.578 0.513 -5.187) 10.038 16.657 ( 12.981 -12.378 0.592) 17.946 16.823 ( 3.388 2.807 1.881) 4.785 16.852 ( 4.929 0.954 0.819) 5.087 18.221 ( -4.596 1.416 0.384) 4.824 18.299 ( 0.001 0.873 0.609) 1.065 18.359 ( -4.619 1.835 1.155) 5.103 18.560 ( -3.091 -2.950 3.162) 5.315 19.143 ( -7.263 1.598 1.878) 7.670 19.283 ( -9.164 -0.954 -0.774) 9.246 19.395 ( -2.475 -1.267 -1.191) 3.025 19.412 ( -6.798 -0.340 -1.319) 6.933 24.955 ( -1.822 2.174 1.378) 3.154 25.087 ( 0.993 0.385 -3.373) 3.538 25.168 ( 8.957 -2.944 1.410) 9.533 25.395 ( 18.566 -11.547 -6.063) 22.689 26.829 ( -0.668 -0.826 -0.663) 1.252 26.900 ( -1.587 -1.766 -0.417) 2.410 26.940 ( -0.826 1.686 -1.441) 2.366 27.125 ( -0.157 1.201 -3.395) 3.605 27.853 ( -1.332 7.633 1.001) 7.813 27.930 ( 0.202 8.804 -1.601) 8.951 28.035 ( 1.059 0.973 2.671) 3.034 28.160 ( 3.463 2.062 -1.371) 4.257 28.240 ( -1.416 3.708 9.664) 10.447 28.520 ( 3.044 -4.296 3.510) 6.328 28.759 ( 4.126 -1.392 -0.285) 4.364 28.811 ( 5.216 -0.089 -2.035) 5.600 28.890 ( 7.227 4.325 -6.609) 10.706 28.937 ( 9.345 -1.703 0.700) 9.525 29.409 ( -15.221 16.700 -1.688) 22.659 29.755 ( -7.371 1.285 0.376) 7.492 29.938 ( -6.909 -2.381 -13.980) 15.775 30.089 ( -10.070 -5.482 -5.004) 12.509 30.345 ( -4.987 1.694 1.633) 5.515 30.388 ( 1.726 0.098 1.517) 2.299 30.552 ( 3.407 0.503 -1.018) 3.592 30.644 ( 9.833 -1.210 -1.047) 9.962 30.850 ( -7.617 1.355 15.021) 16.897 31.425 ( -10.719 -16.862 10.473) 22.559 ======================= Grid point 44 (22/54) ======================= q-point: ( 0.29 0.20 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 Number of triplets: 88 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.659 ( 15.021 12.303 4.447) 19.919 1.793 ( 17.119 4.833 4.370) 18.317 1.829 ( -0.891 7.816 11.081) 13.590 2.270 ( -3.398 -1.736 0.883) 3.917 2.288 ( -7.010 7.109 -4.114) 10.798 2.434 ( -5.989 4.293 4.347) 8.555 2.600 ( -1.994 5.509 3.556) 6.854 2.661 ( 0.596 10.082 -6.285) 11.895 2.935 ( 0.171 -0.217 -0.591) 0.653 3.019 ( 5.220 9.313 -3.857) 11.351 3.067 ( 3.984 2.289 6.054) 7.600 3.212 ( 12.213 -2.045 3.755) 12.939 3.282 ( 1.622 10.443 -7.204) 12.791 3.345 ( 33.768 13.568 7.797) 37.218 3.503 ( -10.082 3.483 -9.511) 14.291 3.637 ( -4.810 -1.681 -16.920) 17.671 3.692 ( 3.450 -1.603 5.550) 6.728 3.842 ( -0.410 0.510 -5.224) 5.265 3.880 ( 10.082 -5.048 -2.718) 11.598 4.038 ( -5.004 -1.197 -7.356) 8.977 4.141 ( 0.102 -0.435 -3.851) 3.876 4.156 ( -1.900 -1.317 1.219) 2.613 4.197 ( 7.112 -4.761 5.120) 9.974 4.268 ( 2.163 2.577 -9.000) 9.609 4.359 ( -3.682 2.574 8.351) 9.483 4.396 ( 0.372 2.913 4.964) 5.767 4.435 ( -3.449 1.190 2.580) 4.469 4.489 ( 4.569 4.907 1.037) 6.784 4.545 ( 6.622 1.810 5.188) 8.605 4.604 ( 6.060 5.032 6.649) 10.308 4.674 ( 3.272 -3.606 1.822) 5.199 4.726 ( 4.731 9.651 4.259) 11.562 4.791 ( -0.030 -0.699 1.650) 1.792 4.904 ( -5.482 -2.034 3.451) 6.789 4.978 ( 5.021 -1.222 0.471) 5.189 5.076 ( 6.711 -2.376 -9.957) 12.240 5.166 ( 3.743 -4.174 1.058) 5.705 5.307 ( 3.311 -1.466 1.995) 4.135 5.341 ( -2.580 -1.846 8.749) 9.307 5.478 ( 10.319 0.251 6.292) 12.089 5.504 ( 2.293 -0.775 -1.591) 2.897 5.529 ( 3.924 -3.466 -2.104) 5.643 5.656 ( -2.971 4.458 -0.270) 5.364 5.754 ( 5.139 4.475 0.375) 6.825 5.808 ( 1.307 -5.076 2.032) 5.621 5.874 ( 0.304 -2.292 -3.572) 4.255 5.954 ( -2.415 5.953 -0.130) 6.425 6.068 ( 3.426 4.024 -1.405) 5.469 6.118 ( 4.246 -2.228 0.090) 4.796 6.201 ( -2.192 2.136 1.110) 3.256 6.252 ( 4.789 6.038 2.587) 8.129 6.316 ( -6.456 -0.888 1.502) 6.688 6.446 ( -2.763 0.737 -6.006) 6.652 6.540 ( -7.207 -6.356 -6.378) 11.533 6.623 ( -2.320 -2.400 -6.723) 7.506 6.723 ( -0.220 -2.435 -1.065) 2.666 6.773 ( -0.559 -5.569 9.905) 11.377 6.856 ( 0.739 -3.223 -0.338) 3.324 6.868 ( -1.095 -8.573 -0.129) 8.644 7.077 ( -9.054 -0.749 -1.567) 9.219 7.126 ( -5.238 -4.144 0.297) 6.686 7.247 ( -7.927 -1.831 -4.648) 9.370 7.422 ( -3.061 -0.424 6.207) 6.934 7.476 ( -4.657 -2.485 2.085) 5.675 7.512 ( 0.140 -2.014 1.442) 2.481 7.583 ( -6.147 0.943 1.195) 6.333 7.618 ( -4.484 3.690 -5.950) 8.314 7.754 ( -2.171 -5.620 0.844) 6.084 7.825 ( -0.735 4.743 -0.459) 4.822 7.930 ( -3.066 -0.107 -0.644) 3.135 8.055 ( -3.267 -3.587 -0.433) 4.871 8.081 ( 3.315 2.714 2.061) 4.754 8.101 ( 2.141 3.237 0.003) 3.881 8.205 ( 0.764 -2.641 -2.303) 3.587 8.398 ( -3.300 -3.417 -2.792) 5.510 8.463 ( 1.090 -0.227 -0.128) 1.120 8.519 ( -1.169 -3.135 0.632) 3.405 8.630 ( -2.662 1.193 -2.521) 3.855 8.683 ( 2.938 -1.830 3.163) 4.688 8.717 ( -1.993 1.222 -4.328) 4.919 8.788 ( -3.386 -4.981 -6.528) 8.882 8.911 ( 3.726 2.821 -0.329) 4.685 9.025 ( -0.649 0.098 4.810) 4.855 9.118 ( -0.534 -0.050 4.892) 4.921 9.180 ( -1.073 -2.098 2.873) 3.716 9.322 ( 0.005 -0.376 -2.504) 2.532 9.421 ( -1.754 -6.284 2.346) 6.933 9.523 ( -0.603 -5.975 -3.872) 7.145 9.647 ( -2.290 7.207 1.818) 7.778 9.765 ( 1.224 4.026 1.995) 4.657 9.878 ( 1.067 -0.860 2.480) 2.834 9.943 ( -0.687 3.625 -0.244) 3.698 10.067 ( -3.336 1.700 -0.280) 3.754 10.153 ( -8.660 1.150 5.433) 10.288 10.227 ( 6.719 1.613 1.718) 7.121 10.293 ( 0.432 -2.303 -3.881) 4.534 10.360 ( -3.679 3.706 2.505) 5.791 10.520 ( 4.175 -3.222 0.762) 5.329 10.576 ( -0.252 6.612 -1.346) 6.752 10.637 ( 1.757 1.630 5.016) 5.559 10.753 ( -2.134 -3.177 -2.539) 4.592 10.852 ( -4.845 0.429 -6.347) 7.996 11.068 ( 3.603 -4.116 -0.456) 5.489 11.150 ( 2.852 -2.994 -3.804) 5.619 11.298 ( -4.691 0.531 3.944) 6.152 11.385 ( 1.222 3.038 -2.946) 4.405 11.483 ( -1.875 1.452 0.001) 2.372 11.585 ( -13.181 0.722 -7.226) 15.049 11.755 ( -0.618 -4.266 -0.322) 4.323 11.824 ( -3.396 -2.099 10.907) 11.615 11.929 ( -0.753 -0.352 -1.953) 2.123 12.026 ( -8.133 -0.153 9.061) 12.176 12.382 ( -3.778 -4.320 -0.055) 5.739 12.510 ( -3.267 -2.924 1.615) 4.672 12.545 ( -5.202 -0.193 -7.145) 8.840 12.630 ( 2.118 -2.155 0.642) 3.089 12.819 ( -7.716 6.536 -3.607) 10.736 12.978 ( -2.140 3.029 3.400) 5.031 13.314 ( 0.894 0.422 -6.486) 6.561 13.479 ( -3.770 -3.861 -2.700) 6.034 13.770 ( 3.569 1.236 0.878) 3.878 13.827 ( 10.415 2.880 1.647) 10.931 13.948 ( 2.947 1.751 3.389) 4.821 14.101 ( 2.063 -2.753 -3.785) 5.115 14.309 ( 11.651 -1.400 0.519) 11.746 14.417 ( 11.337 -1.619 -0.950) 11.491 14.507 ( 9.978 1.633 0.310) 10.116 14.713 ( 5.327 7.345 -1.504) 9.197 14.797 ( 0.301 -0.425 0.055) 0.524 14.901 ( 13.271 -1.436 -2.976) 13.677 14.938 ( 4.749 -4.272 -3.610) 7.337 15.023 ( 6.856 1.804 1.043) 7.165 15.154 ( 1.331 0.216 8.517) 8.623 15.355 ( -2.030 0.552 5.361) 5.759 15.531 ( -3.299 3.644 3.396) 5.974 15.595 ( 5.696 0.818 -0.065) 5.755 15.981 ( -5.882 -6.566 1.182) 8.894 16.131 ( 1.426 -11.511 -2.093) 11.786 16.309 ( 4.133 2.759 -1.948) 5.338 16.423 ( -1.598 1.153 -1.547) 2.505 16.625 ( 7.512 1.832 -1.233) 7.830 16.825 ( 2.811 -1.315 4.314) 5.314 16.901 ( 5.348 2.887 -2.477) 6.563 17.042 ( 8.677 -4.154 -7.089) 11.950 18.140 ( -3.490 2.576 -1.812) 4.700 18.246 ( -4.349 2.745 1.275) 5.299 18.347 ( 0.997 -1.944 -4.749) 5.228 18.470 ( -6.188 -3.208 4.556) 8.327 18.975 ( -9.027 1.340 1.014) 9.182 19.081 ( -9.974 -0.901 -1.924) 10.198 19.255 ( -7.427 -0.006 -0.786) 7.469 19.356 ( -1.614 -2.995 -2.869) 4.450 24.945 ( 0.322 2.806 1.779) 3.338 25.114 ( 1.744 1.396 -3.837) 4.440 25.344 ( 8.223 -7.162 2.424) 11.170 25.703 ( 12.395 -19.118 -7.693) 24.048 26.809 ( -1.508 1.116 0.429) 1.924 26.869 ( -0.688 1.473 -0.749) 1.790 26.927 ( -0.601 1.942 -2.058) 2.892 27.094 ( -2.545 2.113 -2.510) 4.152 27.842 ( 0.284 8.505 1.098) 8.581 27.940 ( 0.856 9.910 -1.214) 10.021 28.069 ( 1.855 0.811 3.522) 4.062 28.203 ( -1.199 4.894 4.133) 6.517 28.232 ( 2.089 3.111 4.411) 5.787 28.587 ( 3.021 -4.694 3.449) 6.562 28.825 ( -0.341 4.349 2.090) 4.837 28.922 ( 7.647 -1.529 -2.489) 8.186 29.015 ( 6.062 4.425 -6.658) 10.033 29.186 ( 14.746 -1.752 0.364) 14.854 29.294 ( 5.978 4.434 5.500) 9.254 29.605 ( -8.506 -0.666 -4.069) 9.452 29.740 ( -12.391 -2.045 -6.812) 14.287 29.894 ( -8.607 -5.813 -8.661) 13.524 30.200 ( -10.333 3.310 3.935) 11.542 30.385 ( -6.672 -1.443 4.086) 7.956 30.520 ( -3.262 1.837 5.196) 6.404 30.745 ( 1.238 -3.307 6.597) 7.482 30.821 ( 4.612 2.104 -3.744) 6.302 31.252 ( -6.074 -8.953 2.893) 11.199 ======================= Grid point 45 (23/54) ======================= q-point: ( 0.43 0.20 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 Number of triplets: 88 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.587 ( -8.393 9.611 7.087) 14.596 1.824 ( 6.248 8.344 -0.777) 10.453 2.078 ( -8.862 4.732 5.672) 11.536 2.264 ( 5.265 3.221 -10.550) 12.223 2.421 ( 17.366 0.054 5.944) 18.355 2.510 ( 10.910 4.152 10.718) 15.847 2.602 ( 0.314 3.993 0.242) 4.012 2.675 ( 2.853 6.562 -1.412) 7.293 2.913 ( 2.446 4.798 0.642) 5.424 2.996 ( -8.596 3.100 5.118) 10.473 3.086 ( -3.949 8.472 -2.921) 9.793 3.195 ( -5.436 3.098 -7.077) 9.446 3.292 ( -3.054 3.591 -4.399) 6.448 3.415 ( 2.213 9.276 -11.265) 14.759 3.570 ( -4.553 4.200 -9.770) 11.568 3.629 ( -4.066 1.665 -6.141) 7.551 3.799 ( 4.703 -1.475 -1.571) 5.174 3.868 ( 6.035 -1.332 3.086) 6.908 3.990 ( 3.175 -0.497 -8.816) 9.384 4.048 ( -1.636 3.378 -4.554) 5.901 4.081 ( -1.640 -5.678 -2.474) 6.407 4.159 ( 1.463 -6.046 -0.204) 6.224 4.213 ( 1.110 -6.108 -0.779) 6.257 4.287 ( 0.828 3.533 1.341) 3.869 4.335 ( 1.610 1.984 2.997) 3.938 4.374 ( 0.909 0.968 1.669) 2.133 4.431 ( 0.853 2.215 7.325) 7.700 4.554 ( -1.174 5.501 3.964) 6.881 4.615 ( 3.100 0.279 0.640) 3.178 4.721 ( 15.034 5.093 -3.159) 16.185 4.744 ( -3.064 -0.779 9.163) 9.693 4.776 ( -0.031 0.383 6.235) 6.247 4.915 ( 1.489 2.388 8.586) 9.036 5.026 ( 3.386 2.326 -1.325) 4.316 5.087 ( -3.589 -0.403 -0.440) 3.638 5.133 ( 15.889 -0.181 5.206) 16.721 5.196 ( 2.080 -0.223 3.243) 3.859 5.304 ( -4.453 -3.780 -3.474) 6.796 5.392 ( 3.221 1.457 -0.600) 3.585 5.443 ( -6.002 -3.900 0.985) 7.225 5.511 ( -4.432 -0.641 2.652) 5.205 5.564 ( -7.131 5.150 1.291) 8.890 5.667 ( 0.227 -1.915 -1.222) 2.283 5.722 ( -0.298 2.701 9.041) 9.441 5.868 ( -0.480 2.395 -1.530) 2.882 5.908 ( -0.870 3.834 -0.162) 3.935 5.936 ( 4.441 -3.875 -1.524) 6.088 6.018 ( 4.158 5.938 1.132) 7.336 6.164 ( -0.548 -2.099 0.358) 2.199 6.220 ( 3.749 -2.525 2.680) 5.255 6.253 ( 1.413 -7.864 -0.949) 8.046 6.441 ( 8.199 -2.147 1.198) 8.560 6.465 ( 3.522 2.159 -0.960) 4.241 6.480 ( -1.384 -7.312 7.554) 10.604 6.640 ( 0.118 -4.663 -3.709) 5.959 6.713 ( -0.063 0.247 -7.686) 7.690 6.788 ( 4.063 -5.180 2.140) 6.923 6.816 ( -4.735 -0.782 3.694) 6.056 6.910 ( -2.110 -0.213 0.381) 2.155 6.976 ( -0.087 1.952 -4.973) 5.343 6.997 ( 2.151 -1.432 3.011) 3.968 7.128 ( -2.984 2.673 0.044) 4.007 7.292 ( -9.865 -2.146 2.649) 10.438 7.320 ( -3.910 -5.656 4.018) 7.964 7.462 ( -6.788 1.332 -0.774) 6.961 7.494 ( -3.336 -1.510 2.436) 4.398 7.580 ( -1.322 0.599 -2.151) 2.595 7.727 ( -0.718 -5.824 -2.263) 6.289 7.824 ( 0.312 8.059 -4.439) 9.206 7.851 ( -3.081 -2.046 2.623) 4.534 8.012 ( -1.030 -7.399 -3.195) 8.125 8.059 ( -1.664 -1.566 -1.254) 2.606 8.130 ( 0.308 2.851 1.466) 3.221 8.301 ( 4.718 -0.931 -6.179) 7.829 8.397 ( 2.674 -2.712 -3.661) 5.283 8.459 ( -2.784 -2.489 -0.462) 3.763 8.517 ( 0.289 -0.475 -5.086) 5.117 8.554 ( -2.780 0.493 -5.354) 6.053 8.634 ( -3.061 2.320 -2.348) 4.502 8.732 ( -1.450 -0.977 -1.088) 2.059 8.767 ( 4.310 1.058 6.544) 7.906 8.943 ( -0.418 2.180 1.312) 2.578 9.028 ( 0.533 -1.382 4.639) 4.870 9.100 ( -1.177 0.653 1.479) 2.000 9.201 ( 2.036 -3.623 -0.703) 4.215 9.296 ( -3.984 -5.552 -0.592) 6.859 9.383 ( 0.908 -2.127 -0.971) 2.508 9.502 ( -0.651 -1.247 0.203) 1.421 9.632 ( 0.488 2.342 3.689) 4.397 9.771 ( -0.708 3.530 -1.680) 3.973 9.867 ( -2.137 -0.670 -0.970) 2.441 9.936 ( -1.028 -2.020 3.860) 4.476 10.042 ( 1.191 4.052 4.708) 6.325 10.090 ( 0.528 -0.323 7.635) 7.660 10.280 ( -1.274 2.165 -1.525) 2.938 10.314 ( 1.801 1.511 -0.873) 2.508 10.363 ( 2.503 2.599 -5.407) 6.500 10.551 ( -0.705 4.794 -3.997) 6.281 10.627 ( 2.630 0.773 0.925) 2.893 10.658 ( 3.273 -3.567 -0.146) 4.843 10.735 ( -1.464 -2.004 -3.914) 4.634 10.789 ( -0.744 -1.675 -4.349) 4.720 11.065 ( -2.004 -5.310 4.891) 7.493 11.217 ( 2.571 -4.860 -0.823) 5.560 11.257 ( -2.213 0.991 0.208) 2.434 11.336 ( -6.758 4.494 -5.481) 9.794 11.461 ( 1.349 -3.450 -3.518) 5.109 11.498 ( 4.137 5.950 2.713) 7.738 11.696 ( -3.759 1.794 1.932) 4.592 11.778 ( -0.821 1.440 3.854) 4.196 11.847 ( -8.882 1.152 3.799) 9.729 11.966 ( 3.433 -1.582 -3.147) 4.919 12.267 ( -9.066 -4.158 -1.717) 10.121 12.415 ( -0.439 -6.691 8.259) 10.638 12.491 ( -0.993 2.209 -1.165) 2.688 12.702 ( 2.841 -2.589 0.971) 3.965 12.736 ( -1.719 4.734 -7.372) 8.928 12.971 ( 1.067 -0.293 2.723) 2.939 13.313 ( -1.107 0.728 -4.378) 4.574 13.361 ( -4.356 -0.485 -1.905) 4.779 13.828 ( 1.237 0.054 1.383) 1.856 13.878 ( -2.942 0.058 -0.031) 2.943 14.026 ( 4.236 3.287 1.054) 5.464 14.139 ( 2.177 -1.026 -5.476) 5.981 14.545 ( 7.617 -3.384 2.717) 8.767 14.570 ( 3.900 -2.541 2.168) 5.135 14.688 ( 7.397 0.033 -4.490) 8.653 14.782 ( 1.956 3.352 0.135) 3.883 14.839 ( 2.340 1.410 -1.845) 3.297 15.013 ( 4.328 -0.864 -5.516) 7.064 15.070 ( -0.418 0.212 1.078) 1.176 15.122 ( -3.557 0.619 8.427) 9.168 15.160 ( 5.504 -0.668 -1.243) 5.682 15.335 ( 2.911 2.875 4.927) 6.405 15.440 ( -5.440 6.743 4.303) 9.674 15.726 ( 4.834 -0.249 6.137) 7.817 15.899 ( -1.321 -6.505 -2.670) 7.155 16.139 ( -0.941 -9.319 0.805) 9.401 16.345 ( -0.853 1.652 -3.069) 3.588 16.419 ( 2.100 -1.594 -4.194) 4.954 16.722 ( 1.153 0.557 4.604) 4.779 16.848 ( 0.685 1.754 1.661) 2.511 16.989 ( 3.220 5.753 -3.812) 7.616 17.151 ( 3.259 -0.708 -2.699) 4.290 18.088 ( -1.135 2.946 0.743) 3.244 18.164 ( -3.230 2.506 -0.123) 4.090 18.339 ( -5.902 -2.060 2.383) 6.690 18.368 ( 1.117 -2.589 -4.315) 5.154 18.837 ( -4.196 1.239 0.163) 4.378 18.944 ( -3.248 -1.059 -2.315) 4.127 19.159 ( -2.098 0.066 0.806) 2.249 19.340 ( 0.032 -4.318 -4.370) 6.144 24.953 ( 0.148 2.912 1.753) 3.403 25.143 ( 1.219 2.171 -3.763) 4.512 25.463 ( 3.371 -10.652 3.209) 11.624 25.863 ( 4.284 -20.940 -6.690) 22.397 26.778 ( -1.328 4.088 0.866) 4.385 26.876 ( 1.097 2.079 -1.268) 2.670 26.917 ( -0.241 2.455 -1.612) 2.947 27.037 ( -2.785 2.804 -2.733) 4.805 27.861 ( 1.348 9.875 1.434) 10.069 27.956 ( 0.780 10.252 -1.247) 10.357 28.100 ( 1.019 2.014 3.385) 4.068 28.168 ( -2.052 3.300 5.439) 6.685 28.278 ( 2.311 5.134 4.149) 6.994 28.582 ( -3.763 -1.165 8.417) 9.293 28.825 ( 2.041 2.414 -5.283) 6.156 29.104 ( 8.876 -2.899 -2.343) 9.627 29.139 ( 6.777 0.818 -3.292) 7.579 29.396 ( -6.272 -3.923 -1.990) 7.661 29.459 ( 0.656 -0.825 -3.261) 3.427 29.490 ( 0.522 -1.683 -2.363) 2.948 29.565 ( 10.471 1.671 2.684) 10.938 29.781 ( -0.882 -4.041 -4.372) 6.018 29.967 ( -12.446 2.207 3.872) 13.220 30.141 ( -13.445 -2.067 4.575) 14.352 30.525 ( 1.050 1.839 3.689) 4.253 30.772 ( 1.045 -4.222 2.755) 5.149 30.885 ( 1.690 2.344 -2.561) 3.861 31.182 ( -2.031 -5.348 -1.795) 5.996 ======================= Grid point 46 (24/54) ======================= q-point: (-0.43 0.20 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 Number of triplets: 88 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.554 ( 4.816 7.172 5.624) 10.308 1.898 ( -3.653 6.956 3.431) 8.573 1.996 ( 1.368 6.987 0.406) 7.131 2.353 ( 4.984 2.374 -7.900) 9.638 2.399 ( -11.991 2.546 7.158) 14.195 2.493 ( -8.317 -1.116 5.556) 10.064 2.617 ( -2.246 5.027 6.442) 8.474 2.788 ( -2.445 6.651 -0.159) 7.088 2.858 ( -6.372 15.136 0.266) 16.425 3.003 ( 9.985 2.967 2.803) 10.787 3.029 ( -4.653 4.379 -5.783) 8.618 3.241 ( 6.581 3.762 -7.855) 10.916 3.304 ( 13.120 -1.934 -1.061) 13.304 3.442 ( -0.237 4.113 -9.152) 10.036 3.469 ( 0.114 8.626 -12.572) 15.247 3.663 ( -0.144 1.129 -4.372) 4.518 3.685 ( -8.771 0.032 -0.752) 8.803 3.896 ( -4.151 2.249 1.795) 5.050 4.032 ( -1.961 -3.462 -3.222) 5.120 4.043 ( 4.178 -0.731 -12.180) 12.897 4.069 ( -0.154 1.402 1.709) 2.215 4.181 ( 1.368 -5.180 -4.550) 7.029 4.248 ( -1.056 -2.180 3.522) 4.275 4.272 ( 0.562 0.735 -2.251) 2.434 4.360 ( -1.274 2.159 4.267) 4.949 4.461 ( 3.967 2.611 5.956) 7.618 4.481 ( -3.270 2.475 -2.837) 4.987 4.498 ( 4.072 -3.082 5.271) 7.339 4.581 ( -13.774 -1.566 0.672) 13.879 4.684 ( -5.145 3.065 2.914) 6.660 4.744 ( -10.459 2.127 7.561) 13.080 4.840 ( -9.406 1.075 12.215) 15.454 4.891 ( -5.866 1.266 6.715) 9.006 4.954 ( 5.713 0.925 -0.800) 5.843 4.974 ( 3.813 2.909 1.764) 5.110 5.061 ( -5.267 -3.150 4.202) 7.438 5.219 ( 0.883 2.426 -7.910) 8.321 5.275 ( -2.291 3.405 1.121) 4.255 5.366 ( 3.835 -1.688 -5.204) 6.681 5.399 ( -9.986 2.836 -0.350) 10.387 5.520 ( -0.113 -2.669 -2.091) 3.392 5.631 ( 7.560 -2.551 5.494) 9.687 5.712 ( 2.482 -3.315 1.243) 4.324 5.733 ( 4.856 1.877 9.506) 10.839 5.836 ( -3.742 3.599 2.649) 5.828 5.841 ( -3.017 2.095 -2.644) 4.526 6.016 ( 4.061 8.197 -1.999) 9.364 6.095 ( -7.262 -9.855 -0.988) 12.281 6.178 ( 4.923 -4.572 -1.032) 6.797 6.209 ( -3.258 -1.230 0.483) 3.516 6.276 ( 0.422 -1.254 0.576) 1.443 6.380 ( -11.998 0.252 4.774) 12.915 6.443 ( -2.276 -12.450 4.312) 13.370 6.557 ( 5.032 2.978 2.220) 6.254 6.687 ( 1.815 -3.845 -1.611) 4.547 6.694 ( -4.191 0.107 2.006) 4.648 6.749 ( 5.120 -1.237 3.817) 6.505 6.810 ( -2.429 1.060 -3.205) 4.159 6.971 ( 3.364 -4.554 4.963) 7.529 7.036 ( 3.857 1.317 -3.027) 5.077 7.048 ( 3.268 1.637 -4.260) 5.614 7.196 ( 6.588 0.354 2.606) 7.093 7.268 ( 3.246 -0.418 -0.502) 3.311 7.307 ( 7.411 0.944 -0.560) 7.492 7.389 ( 0.660 0.684 -0.948) 1.342 7.456 ( 1.366 -3.251 4.048) 5.368 7.567 ( 3.587 1.354 0.791) 3.914 7.698 ( -1.441 -2.780 -6.489) 7.205 7.816 ( -2.040 -0.556 -0.129) 2.118 7.848 ( 2.301 -0.165 -0.276) 2.324 8.026 ( 2.717 -7.110 -1.437) 7.746 8.054 ( 0.019 -2.840 -1.525) 3.223 8.132 ( 1.059 0.550 -0.184) 1.208 8.344 ( -0.343 -2.425 -2.192) 3.287 8.391 ( -1.780 0.721 -4.590) 4.976 8.428 ( 1.133 -2.294 -4.226) 4.940 8.490 ( -1.241 0.256 -1.865) 2.255 8.550 ( 0.325 -1.236 -3.827) 4.035 8.619 ( 0.488 1.889 -1.624) 2.539 8.746 ( 2.664 1.860 -1.096) 3.429 8.828 ( 0.415 2.640 2.614) 3.738 8.937 ( 0.439 1.958 3.927) 4.410 9.033 ( -0.486 -0.508 2.062) 2.178 9.112 ( 3.111 -0.402 1.553) 3.500 9.211 ( -0.933 -5.255 0.871) 5.408 9.259 ( -0.326 -5.311 -2.151) 5.739 9.406 ( 1.911 -2.125 0.467) 2.896 9.532 ( 3.066 2.162 2.598) 4.563 9.644 ( 0.678 -3.726 -1.330) 4.014 9.782 ( 1.728 2.904 0.543) 3.423 9.827 ( -3.434 -5.607 2.180) 6.926 9.930 ( 3.084 2.550 1.963) 4.457 10.047 ( -0.824 3.479 5.039) 6.179 10.112 ( 0.269 0.374 5.618) 5.637 10.230 ( -4.033 2.520 -1.719) 5.056 10.315 ( -0.435 6.260 -2.563) 6.778 10.405 ( -0.164 -0.979 -1.949) 2.187 10.519 ( 0.136 3.923 -2.113) 4.458 10.637 ( -4.789 -2.626 -1.297) 5.613 10.658 ( -3.237 0.146 -2.472) 4.075 10.787 ( 9.633 -0.602 -4.762) 10.763 10.814 ( 1.849 -3.835 -1.300) 4.452 11.049 ( 0.745 -2.217 4.061) 4.687 11.134 ( -4.704 1.230 -0.430) 4.881 11.211 ( -2.027 0.563 -3.518) 4.100 11.352 ( -3.887 -1.519 -3.942) 5.741 11.435 ( 3.013 -2.246 1.150) 3.930 11.583 ( 0.923 1.136 3.255) 3.569 11.665 ( -0.683 2.209 0.544) 2.375 11.718 ( 0.520 -2.798 0.089) 2.847 11.834 ( 4.581 5.694 0.501) 7.325 12.054 ( 4.255 -0.234 1.103) 4.402 12.147 ( 0.018 -0.676 0.280) 0.732 12.497 ( 5.437 -1.009 0.438) 5.547 12.507 ( 5.093 -3.026 6.480) 8.780 12.678 ( -3.688 -1.552 -2.865) 4.921 12.730 ( -0.176 3.998 -4.649) 6.134 12.996 ( 0.901 -1.745 2.184) 2.937 13.294 ( 0.251 0.593 -4.380) 4.427 13.374 ( 4.532 -0.684 -2.541) 5.241 13.785 ( -4.469 0.119 -1.912) 4.862 13.818 ( -3.758 0.646 2.338) 4.473 14.041 ( -2.964 1.650 0.486) 3.427 14.182 ( 1.739 -1.453 -3.909) 4.518 14.522 ( -7.805 -0.838 1.649) 8.021 14.584 ( -3.741 -1.798 3.153) 5.212 14.748 ( -1.151 -2.818 -4.332) 5.294 14.799 ( -3.268 -0.309 -2.582) 4.176 14.827 ( -0.936 2.641 -0.081) 2.803 14.937 ( -10.932 -2.404 -0.993) 11.237 15.033 ( -2.993 3.394 -2.416) 5.130 15.090 ( -0.763 0.186 4.833) 4.897 15.199 ( 0.396 -1.864 -0.195) 1.916 15.314 ( -6.404 6.182 4.675) 10.054 15.483 ( 8.452 3.024 6.530) 11.100 15.733 ( -4.283 0.637 6.290) 7.637 15.931 ( 3.541 -4.940 -1.939) 6.380 16.110 ( -1.547 -7.759 -0.170) 7.914 16.286 ( -4.725 5.218 -5.600) 8.995 16.451 ( 0.447 -3.817 -2.150) 4.403 16.691 ( -3.343 -2.580 3.347) 5.388 16.859 ( -0.177 0.711 2.282) 2.397 17.030 ( 0.983 7.566 -5.123) 9.190 17.150 ( -2.984 1.074 -0.434) 3.201 18.110 ( 2.849 0.792 0.831) 3.072 18.167 ( 4.191 3.212 -0.089) 5.281 18.258 ( -1.861 -1.490 -0.408) 2.419 18.427 ( 5.468 -2.868 -1.522) 6.360 18.835 ( 4.056 1.928 0.084) 4.492 18.965 ( 5.177 -0.978 -1.655) 5.523 19.171 ( 3.164 -0.399 1.285) 3.439 19.345 ( 0.434 -5.328 -4.845) 7.214 24.947 ( -0.774 2.966 1.462) 3.396 25.152 ( -0.277 1.920 -3.422) 3.934 25.465 ( -3.321 -11.072 3.307) 12.023 25.865 ( -3.756 -20.816 -6.840) 22.231 26.767 ( 0.250 4.484 0.364) 4.506 26.888 ( -0.532 2.712 -0.262) 2.776 26.926 ( 1.502 1.429 -2.687) 3.394 27.001 ( -0.577 3.141 -2.252) 3.908 27.880 ( 0.265 10.358 1.500) 10.469 27.976 ( 1.395 11.290 -1.766) 11.512 28.100 ( -1.093 4.105 3.133) 5.279 28.140 ( -0.957 -1.516 5.919) 6.185 28.321 ( 1.521 7.442 4.262) 8.710 28.512 ( -2.723 -1.201 7.473) 8.044 28.836 ( -1.690 -0.561 -6.350) 6.595 29.091 ( -9.817 -3.658 -0.166) 10.478 29.207 ( -3.997 2.316 0.600) 4.658 29.309 ( -2.917 -0.983 -6.703) 7.376 29.362 ( -0.022 0.831 -1.411) 1.638 29.557 ( 5.880 -3.827 -2.155) 7.339 29.720 ( -5.150 0.039 -0.858) 5.221 29.833 ( 0.359 -1.865 -6.096) 6.385 29.933 ( 16.697 -0.366 9.730) 19.329 30.063 ( 8.904 -1.832 2.896) 9.541 30.535 ( -0.100 1.993 4.260) 4.704 30.788 ( 0.732 -4.019 2.067) 4.578 30.883 ( -1.745 1.862 -1.276) 2.853 31.143 ( -2.186 -4.597 -3.171) 5.997 ======================= Grid point 47 (25/54) ======================= q-point: (-0.29 0.20 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 Number of triplets: 88 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.509 ( -23.343 2.641 8.389) 24.944 1.774 ( -0.250 1.628 0.962) 1.907 1.980 ( -17.804 14.399 13.990) 26.834 2.161 ( 13.360 1.753 -1.946) 13.614 2.424 ( -0.546 5.821 -0.170) 5.849 2.505 ( 2.616 -0.413 1.212) 2.913 2.556 ( -3.436 7.684 4.223) 9.417 2.738 ( -3.076 16.813 -4.286) 17.622 2.804 ( 0.362 4.125 -0.998) 4.259 2.864 ( -6.303 17.008 -6.298) 19.201 3.118 ( -2.242 -2.325 3.606) 4.841 3.197 ( -10.050 5.252 -4.955) 12.374 3.384 ( -13.869 -6.748 -0.807) 15.445 3.449 ( -4.054 2.488 -6.593) 8.130 3.531 ( -1.112 -1.262 -2.107) 2.696 3.568 ( 4.145 3.436 -2.749) 6.045 3.710 ( 5.986 4.368 -4.883) 8.875 3.781 ( -11.287 0.326 7.632) 13.629 3.895 ( -5.902 2.265 3.267) 7.116 3.953 ( -7.873 -3.427 -5.947) 10.445 4.034 ( -3.988 -4.232 3.710) 6.898 4.110 ( -0.372 1.919 -0.532) 2.026 4.195 ( -0.963 4.731 -3.830) 6.162 4.298 ( 3.056 1.698 -3.535) 4.972 4.334 ( -2.677 -0.428 -6.473) 7.018 4.353 ( 2.583 2.762 -7.107) 8.050 4.498 ( -0.618 -1.105 3.336) 3.568 4.520 ( -4.446 2.379 0.215) 5.047 4.563 ( -2.035 3.032 7.800) 8.612 4.661 ( 5.451 -1.148 4.812) 7.361 4.727 ( 7.150 -3.003 -0.051) 7.755 4.775 ( 2.055 0.041 2.807) 3.479 4.857 ( 5.969 0.295 10.669) 12.229 4.917 ( -1.103 1.071 6.283) 6.469 4.987 ( -4.208 -0.884 -0.990) 4.413 5.120 ( -6.270 2.784 2.476) 7.293 5.143 ( -1.905 3.081 -0.602) 3.672 5.246 ( -0.689 -3.234 -5.850) 6.720 5.280 ( -10.980 -2.343 6.355) 12.901 5.417 ( 4.511 -2.058 1.003) 5.058 5.466 ( -1.026 -0.539 0.985) 1.521 5.544 ( -13.236 0.744 2.058) 13.416 5.590 ( -8.473 0.882 4.317) 9.550 5.761 ( -3.924 -0.384 -3.527) 5.290 5.834 ( 3.113 5.810 -1.465) 6.753 5.871 ( 1.337 -0.704 -6.507) 6.680 5.938 ( -3.715 -8.721 3.078) 9.966 6.095 ( -5.406 -1.732 1.623) 5.904 6.139 ( 0.918 0.697 -4.022) 4.184 6.186 ( -3.391 5.414 1.090) 6.481 6.265 ( 0.192 0.159 -3.032) 3.042 6.328 ( -1.765 1.661 4.417) 5.038 6.394 ( 8.299 1.066 4.550) 9.524 6.553 ( -2.358 1.069 -10.660) 10.970 6.611 ( -5.363 2.331 -2.000) 6.180 6.731 ( 5.064 -5.599 3.333) 8.253 6.800 ( 5.963 -5.955 -2.149) 8.698 6.878 ( 4.205 -6.370 -1.747) 7.830 6.997 ( -0.024 -1.787 2.767) 3.294 7.057 ( 1.968 -8.243 1.976) 8.702 7.218 ( -0.070 -4.542 -1.675) 4.841 7.277 ( 13.419 4.888 4.998) 15.131 7.339 ( 3.150 -0.620 5.682) 6.526 7.464 ( 3.529 1.220 -4.822) 6.099 7.521 ( 5.632 1.177 -2.077) 6.117 7.530 ( 6.213 4.552 -3.347) 8.398 7.618 ( 0.190 -4.718 -2.780) 5.480 7.743 ( 2.624 -0.824 2.573) 3.766 7.807 ( 6.075 1.203 0.417) 6.207 7.902 ( 2.991 -5.206 1.811) 6.271 8.073 ( 2.847 0.306 -0.937) 3.013 8.092 ( 3.242 -5.226 1.604) 6.355 8.189 ( 3.460 -1.350 0.922) 3.827 8.313 ( -1.255 1.775 6.638) 6.985 8.375 ( -1.535 -1.614 -4.553) 5.068 8.434 ( -0.329 -2.395 -3.410) 4.180 8.490 ( 1.742 -1.626 -0.236) 2.395 8.595 ( 4.917 -0.533 -4.747) 6.855 8.623 ( -0.224 1.246 -1.220) 1.758 8.771 ( -3.260 2.463 -2.020) 4.558 8.814 ( 1.336 4.010 -2.387) 4.854 8.937 ( -1.883 5.149 2.797) 6.154 9.032 ( 0.077 -1.531 -0.101) 1.536 9.103 ( -8.866 -5.031 0.131) 10.195 9.192 ( 3.502 -4.506 4.860) 7.496 9.294 ( 3.904 -7.116 1.805) 8.315 9.478 ( 4.153 0.250 -0.416) 4.182 9.587 ( -0.475 1.265 4.083) 4.301 9.616 ( 0.466 -1.935 -5.536) 5.883 9.802 ( 0.285 -1.549 0.144) 1.581 9.847 ( 4.883 -0.227 7.764) 9.175 10.004 ( 2.902 3.391 -3.435) 5.632 10.049 ( -0.920 4.008 3.875) 5.650 10.118 ( 0.230 -2.725 1.141) 2.963 10.135 ( -1.297 4.226 -0.445) 4.443 10.331 ( 2.002 6.048 1.244) 6.491 10.370 ( -1.089 -2.896 -1.842) 3.601 10.503 ( -3.800 0.727 0.643) 3.922 10.531 ( -4.379 -2.069 2.483) 5.443 10.645 ( 1.939 6.533 1.625) 7.006 10.812 ( -0.859 -5.309 -1.028) 5.475 10.954 ( 5.352 2.225 -1.778) 6.063 11.075 ( 0.077 -0.739 -0.954) 1.209 11.155 ( 5.571 0.287 -10.283) 11.699 11.166 ( -0.155 3.769 -0.569) 3.815 11.271 ( -0.407 -1.703 0.104) 1.754 11.445 ( -0.406 -2.009 0.110) 2.053 11.614 ( 3.054 -0.053 3.211) 4.432 11.685 ( 1.470 -3.590 -1.134) 4.042 11.802 ( 5.167 -4.450 -0.581) 6.844 11.901 ( 1.907 1.275 4.832) 5.349 12.078 ( 1.935 -2.024 2.008) 3.445 12.329 ( 12.971 8.632 3.100) 15.886 12.566 ( 2.975 0.961 -1.424) 3.435 12.600 ( -1.821 0.896 -0.561) 2.106 12.712 ( 10.551 -2.563 4.424) 11.724 12.738 ( 2.994 3.503 -7.411) 8.727 13.000 ( -0.603 -2.112 0.648) 2.290 13.335 ( 3.827 -0.110 -3.695) 5.321 13.401 ( -4.067 0.421 -8.477) 9.411 13.691 ( -7.447 -1.949 2.799) 8.191 13.693 ( -10.197 -1.900 -1.125) 10.433 13.960 ( -1.245 2.368 3.170) 4.148 14.179 ( -2.251 -2.465 -1.837) 3.810 14.312 ( -12.032 0.093 1.340) 12.107 14.441 ( -10.729 -1.601 2.495) 11.131 14.624 ( -12.283 -1.021 -1.238) 12.388 14.671 ( -8.833 0.403 -8.352) 12.163 14.740 ( -5.619 -0.684 -0.680) 5.701 14.801 ( -1.849 0.403 -0.627) 1.994 14.953 ( -5.047 0.872 -0.581) 5.154 15.016 ( -6.803 1.855 5.087) 8.694 15.126 ( -4.682 3.411 1.846) 6.080 15.294 ( 0.875 -3.906 2.442) 4.689 15.562 ( -3.897 2.269 4.245) 6.193 15.636 ( -2.158 4.567 2.711) 5.733 15.982 ( 1.364 -5.039 2.329) 5.716 16.093 ( -0.938 -5.370 -4.220) 6.894 16.187 ( -3.231 6.690 -4.886) 8.892 16.458 ( 1.045 -3.457 0.344) 3.628 16.607 ( -5.297 -4.797 -0.093) 7.147 16.814 ( -5.190 -2.865 -0.348) 5.939 16.978 ( -5.651 6.190 -3.102) 8.937 17.102 ( -2.139 3.434 -0.057) 4.047 18.191 ( 4.838 -0.156 0.107) 4.842 18.244 ( 1.507 0.644 0.467) 1.704 18.290 ( 5.751 -0.078 -2.679) 6.345 18.595 ( 11.098 -6.891 2.745) 13.349 18.973 ( 9.199 2.338 0.920) 9.536 19.114 ( 9.185 -1.101 -0.829) 9.288 19.275 ( 7.079 -0.825 0.259) 7.131 19.347 ( -0.041 -5.131 -4.775) 7.009 24.932 ( -0.488 2.906 1.158) 3.166 25.132 ( -1.453 0.858 -3.103) 3.533 25.347 ( -8.286 -8.075 2.641) 11.867 25.710 ( -12.118 -19.290 -8.257) 24.231 26.786 ( 1.618 2.334 -0.431) 2.873 26.867 ( -1.015 2.051 -1.246) 2.606 26.965 ( 2.339 1.169 -2.279) 3.469 27.008 ( 0.937 2.423 -0.819) 2.724 27.876 ( -0.437 9.378 0.971) 9.438 27.988 ( -0.776 12.826 -2.631) 13.116 28.093 ( 0.717 0.887 3.449) 3.632 28.123 ( -0.799 -1.950 6.251) 6.597 28.317 ( -2.411 5.914 1.853) 6.650 28.487 ( -0.511 -1.878 7.318) 7.572 28.778 ( -2.905 1.390 -4.895) 5.859 28.888 ( -9.437 -1.606 -0.332) 9.578 29.040 ( -10.549 3.235 -1.230) 11.103 29.142 ( -11.788 -1.024 -2.519) 12.097 29.424 ( 5.937 4.396 7.857) 10.784 29.666 ( 2.240 -0.141 -6.288) 6.676 29.783 ( 12.615 -2.788 -3.886) 13.491 29.891 ( 6.134 -2.797 -13.511) 15.100 30.236 ( 10.424 -1.606 4.736) 11.561 30.298 ( 11.723 -1.040 6.636) 13.511 30.547 ( 2.136 3.362 6.324) 7.474 30.801 ( -2.176 1.110 -5.248) 5.788 30.835 ( 0.080 -3.777 9.076) 9.831 31.102 ( -0.860 -6.101 -0.432) 6.177 ======================= Grid point 48 (26/54) ======================= q-point: (-0.14 0.20 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 Number of triplets: 88 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.996 ( -23.623 7.224 17.909) 30.512 1.364 ( -27.575 20.025 16.015) 37.655 2.003 ( 4.092 -9.454 -5.306) 11.588 2.109 ( -19.677 36.395 17.844) 45.058 2.406 ( -4.531 -1.702 -0.326) 4.852 2.524 ( 2.956 4.017 1.451) 5.194 2.640 ( 10.843 7.883 -1.113) 13.452 2.667 ( -5.659 10.879 0.312) 12.267 2.794 ( 4.800 6.982 0.194) 8.475 2.826 ( 2.520 13.323 -6.341) 14.969 2.900 ( -15.324 -6.573 4.076) 17.165 3.089 ( -1.740 -0.801 2.738) 3.342 3.210 ( -3.725 4.511 5.352) 7.929 3.307 ( -2.477 1.151 -8.966) 9.372 3.408 ( -4.305 6.079 -8.831) 11.553 3.619 ( -0.756 3.551 2.876) 4.632 3.704 ( -0.269 -4.890 -0.710) 4.949 3.776 ( -2.280 -2.327 -9.306) 9.860 3.821 ( -1.446 1.952 -0.005) 2.429 3.900 ( -0.349 -1.806 1.291) 2.247 4.024 ( -0.843 -2.186 9.807) 10.083 4.079 ( -2.793 -0.500 -3.497) 4.503 4.156 ( -1.116 3.163 -2.200) 4.011 4.265 ( -5.428 -2.382 -2.587) 6.468 4.322 ( -7.871 7.514 -1.719) 11.017 4.365 ( 0.023 6.556 1.119) 6.651 4.396 ( -0.004 0.844 4.610) 4.686 4.458 ( 2.337 0.222 -4.484) 5.061 4.630 ( -6.815 -6.285 -2.601) 9.629 4.722 ( 6.117 -3.207 2.885) 7.485 4.786 ( -2.262 -2.753 1.005) 3.702 4.844 ( -0.715 -1.938 3.022) 3.661 4.882 ( -2.486 2.393 -1.368) 3.711 4.902 ( -2.712 -3.141 3.887) 5.686 4.985 ( -2.120 -1.843 2.221) 3.581 5.030 ( -0.835 0.881 2.399) 2.688 5.067 ( 0.694 1.470 3.716) 4.056 5.153 ( -1.838 1.978 -1.084) 2.909 5.186 ( 3.834 3.991 5.320) 7.676 5.328 ( -3.934 -2.178 1.517) 4.745 5.434 ( -3.831 3.380 -4.171) 6.595 5.468 ( 2.130 -3.205 3.058) 4.915 5.607 ( 5.507 -0.764 -0.275) 5.567 5.710 ( -1.934 0.161 -0.166) 1.947 5.802 ( -6.552 -4.008 -6.599) 10.126 5.854 ( 0.855 0.682 0.068) 1.095 5.939 ( -0.173 4.219 -6.080) 7.402 6.004 ( -2.171 4.731 -2.077) 5.605 6.131 ( 1.339 6.031 -8.913) 10.845 6.143 ( -0.038 1.659 -0.755) 1.823 6.246 ( 1.018 7.123 -5.023) 8.775 6.310 ( -1.072 1.746 1.984) 2.853 6.559 ( 4.544 -0.977 -7.139) 8.519 6.598 ( 4.846 -2.061 -3.023) 6.072 6.677 ( 11.294 -0.235 -0.076) 11.297 6.819 ( 1.638 0.748 0.671) 1.922 6.890 ( 3.586 -9.885 -0.948) 10.558 6.908 ( -0.561 -5.811 3.456) 6.784 7.075 ( 5.843 -3.539 6.029) 9.111 7.088 ( 1.790 -7.319 8.382) 11.271 7.250 ( 2.289 -7.016 -5.428) 9.161 7.331 ( -0.798 -5.193 4.435) 6.876 7.436 ( -1.659 -0.906 -5.055) 5.397 7.464 ( 2.938 0.841 2.420) 3.898 7.560 ( -2.968 0.494 -10.583) 11.003 7.597 ( -1.830 1.910 -5.195) 5.830 7.689 ( 10.034 1.106 2.323) 10.358 7.823 ( 5.039 1.602 1.993) 5.651 7.859 ( -1.214 0.921 -2.467) 2.900 7.968 ( 1.212 -4.327 0.702) 4.548 8.071 ( -4.496 -3.457 0.450) 5.689 8.185 ( -2.217 -0.887 3.005) 3.838 8.229 ( 8.175 -2.143 5.850) 10.278 8.273 ( -4.767 -0.956 2.856) 5.639 8.369 ( 1.408 -3.365 -0.517) 3.684 8.432 ( -1.297 -1.974 -3.413) 4.150 8.564 ( 1.940 -1.315 4.195) 4.806 8.577 ( -0.060 -0.193 -4.675) 4.680 8.658 ( -1.645 -0.556 -0.990) 1.999 8.714 ( -3.176 2.880 0.406) 4.307 8.792 ( 1.765 -0.094 -1.676) 2.436 8.896 ( 0.406 3.780 4.118) 5.605 8.997 ( 0.141 2.118 1.750) 2.751 9.043 ( 0.520 -1.142 0.900) 1.544 9.253 ( 2.293 -7.715 8.769) 11.903 9.364 ( 2.653 -8.187 2.422) 8.940 9.492 ( -3.946 1.238 -1.568) 4.422 9.537 ( -2.316 -0.417 0.321) 2.375 9.677 ( 2.549 6.215 -0.783) 6.763 9.802 ( -0.249 0.093 -0.211) 0.340 9.935 ( -0.760 3.468 4.325) 5.596 9.999 ( -0.886 1.986 0.043) 2.175 10.027 ( 5.114 2.202 0.289) 5.575 10.186 ( 7.129 4.960 -2.619) 9.071 10.220 ( 3.610 0.464 -2.211) 4.258 10.317 ( -3.351 -0.412 2.092) 3.972 10.397 ( 5.108 -2.000 0.822) 5.547 10.466 ( 1.076 1.985 1.034) 2.484 10.508 ( 1.086 -1.757 2.515) 3.254 10.673 ( 0.077 -0.016 2.956) 2.957 10.818 ( 3.427 1.302 -4.938) 6.150 10.948 ( -8.205 2.194 -4.144) 9.450 11.073 ( 3.504 1.383 1.903) 4.220 11.160 ( 1.807 3.216 1.632) 4.034 11.312 ( 6.272 -0.934 5.024) 8.091 11.388 ( 10.849 -1.586 -3.908) 11.640 11.528 ( 8.357 -3.800 -1.034) 9.239 11.650 ( 0.272 -1.398 3.881) 4.134 11.733 ( 4.358 -4.564 -0.930) 6.378 11.870 ( 2.366 -4.068 -0.888) 4.789 11.932 ( 1.747 0.763 6.998) 7.253 12.164 ( 6.390 -1.975 2.109) 7.013 12.516 ( 6.256 8.451 1.686) 10.649 12.573 ( 0.672 2.484 0.272) 2.588 12.648 ( 3.208 2.269 -3.022) 4.957 12.746 ( 0.221 4.614 -8.373) 9.563 12.947 ( -4.307 -1.350 1.402) 4.727 12.991 ( 10.767 -0.755 0.678) 10.814 13.247 ( -6.718 1.101 -9.211) 11.454 13.390 ( -6.939 -4.765 -5.684) 10.157 13.408 ( -14.646 -1.051 2.046) 14.825 13.543 ( 0.951 -0.027 2.167) 2.366 13.982 ( -2.849 -3.783 2.923) 5.565 14.065 ( -8.736 -4.300 -2.073) 9.955 14.123 ( -7.114 -0.478 -0.094) 7.131 14.227 ( -7.358 3.457 1.807) 8.328 14.329 ( -15.807 -0.754 0.505) 15.833 14.571 ( 0.735 3.562 -5.951) 6.974 14.678 ( -2.271 2.209 2.868) 4.274 14.791 ( 1.458 0.300 -0.583) 1.599 14.828 ( -7.405 5.154 -4.854) 10.245 14.907 ( -2.703 0.450 2.945) 4.022 15.045 ( -4.420 0.963 -0.350) 4.537 15.231 ( -7.533 -6.852 -1.000) 10.232 15.482 ( -2.179 3.563 2.536) 4.886 15.579 ( -4.022 9.197 0.061) 10.038 15.992 ( -1.323 -6.969 0.407) 7.105 16.073 ( 2.046 4.403 -0.079) 4.856 16.166 ( -1.581 -6.184 -4.100) 7.586 16.474 ( -1.998 -1.652 -0.285) 2.608 16.521 ( -0.482 -4.644 -0.572) 4.704 16.662 ( -9.905 -3.839 -4.523) 11.546 16.874 ( -4.370 4.426 3.122) 6.960 16.998 ( -9.024 0.489 0.963) 9.089 18.263 ( 2.194 0.194 0.909) 2.383 18.268 ( 0.943 -0.052 0.617) 1.129 18.416 ( 6.556 -0.875 -1.782) 6.850 18.758 ( 1.608 -16.523 4.195) 17.123 19.149 ( 7.490 1.803 2.139) 7.995 19.276 ( 6.669 -1.255 -0.167) 6.788 19.365 ( 3.200 -0.307 -2.787) 4.254 19.417 ( 6.505 -0.642 -0.994) 6.611 24.943 ( 1.917 2.312 0.834) 3.117 25.101 ( -1.411 -0.192 -2.763) 3.108 25.175 ( -8.624 -3.586 1.724) 9.498 25.391 ( -19.256 -11.795 -6.912) 23.616 26.825 ( 2.108 -0.572 -0.916) 2.368 26.858 ( 0.349 0.721 -1.943) 2.102 26.998 ( 0.226 0.288 1.023) 1.086 27.036 ( 2.569 2.048 -3.258) 4.627 27.872 ( 0.118 8.861 0.786) 8.896 27.956 ( -1.839 9.382 -1.616) 9.696 28.087 ( -1.236 -1.130 0.863) 1.884 28.137 ( 0.316 0.968 2.869) 3.045 28.251 ( -2.695 2.042 4.296) 5.467 28.479 ( -0.762 -1.905 7.720) 7.988 28.738 ( -1.604 3.199 -4.787) 5.977 28.751 ( -4.030 0.988 -0.388) 4.168 28.857 ( -6.718 1.681 -1.273) 7.041 28.930 ( -8.743 -0.240 -2.604) 9.126 29.590 ( 8.552 9.956 -2.095) 13.291 29.755 ( 8.209 1.634 1.067) 8.437 29.978 ( 5.618 -3.023 -16.183) 17.395 30.050 ( 10.406 -2.795 -5.447) 12.074 30.336 ( 2.085 0.270 0.692) 2.213 30.431 ( 2.353 -2.865 2.805) 4.649 30.572 ( -3.188 3.074 1.755) 4.764 30.671 ( -10.193 -0.785 -6.865) 12.315 30.908 ( 4.363 -1.390 15.473) 16.136 31.221 ( 14.713 -12.116 14.474) 23.932 ======================= Grid point 49 (27/54) ======================= q-point: ( 0.00 0.40 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 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 Number of triplets: 88 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.277 ( 6.642 26.465 -4.114) 27.594 1.678 ( 5.056 26.631 12.616) 29.899 1.763 ( 5.209 -18.962 -8.725) 21.513 2.168 ( 5.461 -18.132 6.745) 20.102 2.464 ( -4.948 11.215 20.814) 24.155 2.525 ( -3.504 -1.534 0.561) 3.866 2.604 ( -5.296 4.813 15.815) 17.359 2.748 ( -2.855 -3.433 14.062) 14.754 2.898 ( -3.243 4.054 2.364) 5.705 2.961 ( 1.545 -0.013 4.391) 4.655 3.151 ( 5.555 16.054 -9.984) 19.704 3.212 ( -4.121 16.259 -0.345) 16.776 3.308 ( -0.865 12.595 0.771) 12.648 3.413 ( 2.979 0.777 -7.532) 8.137 3.602 ( 5.690 2.897 -2.218) 6.760 3.676 ( -0.734 1.014 -13.581) 13.638 3.718 ( 7.659 4.376 -2.778) 9.248 3.781 ( 2.784 -0.514 -4.383) 5.218 3.797 ( -7.056 0.061 0.050) 7.057 3.896 ( 2.946 2.608 1.466) 4.199 4.009 ( -5.029 -1.364 -8.621) 10.073 4.016 ( -5.024 0.069 2.558) 5.638 4.037 ( 2.343 -1.525 -7.561) 8.062 4.144 ( 1.888 -4.052 1.320) 4.661 4.266 ( -2.966 -1.188 4.106) 5.202 4.309 ( 3.250 -8.983 -0.374) 9.560 4.368 ( -6.965 1.738 2.015) 7.456 4.412 ( -2.683 -3.044 0.197) 4.063 4.509 ( 0.052 -0.696 4.256) 4.313 4.583 ( -1.616 -7.602 3.357) 8.466 4.681 ( -2.267 1.404 6.241) 6.787 4.736 ( -0.272 -2.882 1.442) 3.234 4.853 ( 5.264 3.457 -5.335) 8.254 4.936 ( 1.647 2.588 5.678) 6.454 5.004 ( 2.668 -2.560 0.722) 3.767 5.051 ( -0.689 -2.910 0.413) 3.019 5.111 ( -2.008 0.100 1.757) 2.670 5.148 ( -2.267 -2.621 2.639) 4.355 5.281 ( 1.932 6.878 3.014) 7.754 5.364 ( -4.981 -0.291 -1.176) 5.126 5.416 ( 2.330 0.018 1.439) 2.739 5.463 ( -1.798 -3.568 4.968) 6.375 5.611 ( -0.506 -0.620 -1.723) 1.900 5.647 ( 0.864 -2.547 -2.265) 3.516 5.754 ( 4.665 9.591 0.716) 10.689 5.900 ( 6.467 -3.765 1.355) 7.605 6.033 ( -5.318 6.772 -6.008) 10.500 6.129 ( -1.391 -1.495 -6.528) 6.840 6.185 ( 1.409 6.618 -12.046) 13.816 6.280 ( 1.855 -0.056 -12.984) 13.116 6.362 ( -0.417 7.606 -3.257) 8.285 6.453 ( 0.706 3.443 -2.732) 4.452 6.570 ( 1.484 0.094 0.301) 1.517 6.641 ( 5.349 -5.943 -4.626) 9.237 6.663 ( -0.907 -7.816 -0.143) 7.869 6.700 ( 3.208 -7.148 -0.529) 7.853 6.845 ( -7.401 -0.410 -0.290) 7.418 6.883 ( -11.148 -7.092 -5.145) 14.179 6.901 ( -1.497 2.073 6.764) 7.232 6.989 ( 6.327 -3.396 7.001) 10.029 7.228 ( 4.857 0.883 2.596) 5.577 7.288 ( -5.578 -4.950 -2.547) 7.881 7.411 ( 5.288 -1.050 -1.054) 5.493 7.453 ( 4.684 -2.761 -3.233) 6.325 7.498 ( -1.483 3.574 -5.164) 6.453 7.573 ( -1.562 -1.979 -7.744) 8.144 7.845 ( 0.846 2.993 -0.452) 3.143 7.874 ( -3.240 2.156 -1.780) 4.279 7.891 ( 3.069 -1.327 -2.326) 4.073 7.902 ( -3.387 -1.785 -4.755) 6.105 7.970 ( -2.936 4.642 0.691) 5.536 8.109 ( -3.396 -4.855 3.683) 6.976 8.209 ( 1.475 0.183 4.049) 4.313 8.212 ( -1.427 2.063 3.957) 4.685 8.287 ( -1.518 -3.280 3.912) 5.326 8.341 ( 3.826 -6.551 0.887) 7.638 8.507 ( -2.443 1.438 3.263) 4.322 8.553 ( -2.682 -3.798 0.036) 4.650 8.738 ( -0.147 4.791 0.774) 4.856 8.781 ( 1.004 3.458 0.224) 3.608 8.838 ( -1.429 -3.914 0.858) 4.254 8.865 ( 4.132 -0.996 2.303) 4.834 9.063 ( -0.491 1.805 5.029) 5.366 9.087 ( 0.864 4.895 8.490) 9.838 9.180 ( 3.293 -6.363 9.788) 12.130 9.213 ( -2.579 -7.471 7.444) 10.857 9.396 ( -2.722 2.692 -3.284) 5.044 9.484 ( -3.633 -5.196 -2.981) 7.006 9.773 ( -0.180 7.980 -6.429) 10.249 9.878 ( 1.275 -1.195 -5.991) 6.241 9.997 ( 2.747 6.643 4.109) 8.280 10.102 ( -3.402 6.172 2.349) 7.428 10.147 ( -2.416 -4.459 3.077) 5.932 10.175 ( 2.231 1.091 2.808) 3.748 10.221 ( 2.706 -3.169 2.375) 4.797 10.274 ( 0.294 -3.331 1.184) 3.547 10.516 ( -0.974 0.731 -0.936) 1.535 10.528 ( 1.273 -0.322 -1.424) 1.937 10.614 ( 3.042 3.566 -1.094) 4.813 10.664 ( 5.047 -0.647 -3.485) 6.167 10.814 ( -2.998 2.440 -0.153) 3.869 10.873 ( 0.593 -3.596 1.405) 3.906 11.138 ( -3.416 3.279 -0.329) 4.746 11.180 ( -3.510 -0.672 1.215) 3.774 11.392 ( 1.962 0.663 6.058) 6.402 11.470 ( -0.722 -3.227 1.495) 3.629 11.527 ( 0.137 -3.165 0.507) 3.208 11.562 ( -0.234 -3.610 -1.995) 4.131 11.800 ( 4.450 2.664 -5.795) 7.777 11.867 ( 1.849 -2.853 -5.002) 6.048 12.056 ( 0.419 3.955 4.917) 6.324 12.152 ( 0.617 -6.112 3.327) 6.986 12.615 ( -3.793 2.362 -6.579) 7.953 12.631 ( -5.359 0.788 -9.654) 11.069 12.659 ( -5.509 -0.152 -8.967) 10.525 12.685 ( -4.695 -1.620 -7.112) 8.674 12.946 ( 4.813 1.732 2.117) 5.536 12.986 ( 1.864 -2.226 0.480) 2.943 13.224 ( 3.459 0.821 -0.679) 3.619 13.245 ( 10.612 -1.300 -0.542) 10.705 13.501 ( 2.796 5.125 2.520) 6.359 13.586 ( -2.123 -3.215 -0.718) 3.919 13.859 ( 5.128 1.691 0.381) 5.413 13.914 ( 4.356 -2.152 0.334) 4.870 14.063 ( 0.123 1.575 5.816) 6.027 14.112 ( -5.106 -2.897 4.574) 7.442 14.345 ( 0.290 9.156 1.003) 9.216 14.500 ( -2.974 -5.326 -1.293) 6.236 14.768 ( -4.656 3.147 -2.594) 6.190 14.831 ( 2.744 5.332 -0.490) 6.016 14.850 ( -3.242 -3.156 -0.684) 4.576 14.892 ( 3.016 -1.354 -2.419) 4.097 15.003 ( -1.511 1.174 -0.134) 1.918 15.078 ( 8.797 -3.475 -0.907) 9.502 15.565 ( 0.500 7.179 0.672) 7.228 15.690 ( -0.645 -1.382 0.115) 1.529 15.885 ( 1.068 2.347 -0.281) 2.593 16.003 ( 1.515 -4.069 -0.698) 4.398 16.196 ( 3.712 0.037 0.792) 3.796 16.270 ( -8.769 -6.457 0.001) 10.890 16.424 ( -1.102 2.599 4.229) 5.085 16.498 ( 0.282 -3.559 3.705) 5.145 16.871 ( -2.575 2.462 1.844) 4.012 16.886 ( -2.769 1.119 2.344) 3.797 18.283 ( -0.286 0.412 1.067) 1.180 18.288 ( 0.608 -0.038 1.142) 1.294 18.467 ( -0.807 1.505 2.373) 2.923 18.528 ( -0.818 -4.400 0.648) 4.522 19.259 ( -0.154 2.288 2.155) 3.147 19.310 ( 0.378 -2.773 1.807) 3.331 19.454 ( 0.217 1.449 -2.268) 2.700 19.476 ( 0.125 -0.814 -1.948) 2.114 25.020 ( 0.867 1.029 0.912) 1.626 25.039 ( -0.581 -0.822 0.792) 1.281 25.106 ( -0.648 0.673 -1.009) 1.375 25.119 ( 0.660 -0.609 -0.959) 1.314 26.828 ( -0.050 0.044 -0.859) 0.862 26.845 ( 0.422 -1.736 -1.247) 2.178 27.006 ( -0.378 2.507 -0.357) 2.560 27.065 ( 1.516 -3.108 -2.134) 4.064 27.995 ( -1.704 2.760 1.998) 3.810 28.021 ( 0.042 0.611 2.385) 2.462 28.083 ( -1.081 4.066 -0.787) 4.280 28.131 ( 0.132 -0.367 -1.020) 1.092 28.324 ( 1.502 5.375 7.400) 9.268 28.420 ( 0.899 -3.724 7.178) 8.137 28.707 ( -0.124 0.702 -0.415) 0.825 28.740 ( -0.815 -2.395 0.053) 2.530 28.828 ( 0.875 2.733 -2.834) 4.033 28.861 ( 0.570 -0.411 -2.361) 2.463 29.807 ( -0.544 6.910 -15.345) 16.838 29.933 ( -0.304 -5.783 -16.168) 17.174 30.004 ( -1.158 5.749 -2.956) 6.568 30.112 ( 0.603 -4.989 -3.332) 6.030 30.390 ( -0.883 0.816 0.459) 1.287 30.409 ( -2.932 -1.151 0.284) 3.162 30.482 ( 1.214 0.297 -0.535) 1.359 30.489 ( -0.187 -0.269 -0.766) 0.833 30.997 ( -0.062 4.679 14.123) 14.878 31.155 ( 2.760 -12.092 14.957) 19.430 ======================= Grid point 50 (28/54) ======================= q-point: ( 0.14 0.40 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 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 Number of triplets: 88 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.528 ( 18.812 19.693 -2.013) 27.308 1.791 ( 3.716 2.655 2.131) 5.040 1.961 ( 9.776 10.626 11.223) 18.288 2.299 ( 1.032 -7.093 -6.386) 9.600 2.390 ( -8.023 -3.398 -4.652) 9.877 2.473 ( -1.295 -12.644 6.481) 14.267 2.633 ( 12.111 6.128 18.386) 22.853 2.739 ( 5.247 -3.165 6.144) 8.678 2.902 ( 0.652 4.446 9.242) 10.277 2.961 ( -1.886 -1.425 8.557) 8.878 3.161 ( -3.701 17.399 5.780) 18.704 3.225 ( 5.656 19.531 -6.629) 21.387 3.362 ( 7.574 16.667 -0.446) 18.312 3.435 ( 0.411 -3.441 -6.513) 7.378 3.610 ( -0.670 6.833 -3.013) 7.498 3.627 ( -4.315 -2.894 -5.584) 7.628 3.719 ( 5.322 3.572 2.230) 6.786 3.829 ( -0.826 1.941 -6.920) 7.234 3.882 ( 2.390 -9.044 -8.827) 12.861 3.896 ( -0.521 -0.566 0.854) 1.149 3.993 ( 6.177 4.041 -6.454) 9.805 4.059 ( 7.739 -0.493 -6.347) 10.021 4.126 ( 6.668 0.203 -5.814) 8.849 4.212 ( -1.972 -5.647 -1.956) 6.293 4.249 ( 2.280 3.784 1.639) 4.712 4.382 ( 9.399 -3.845 2.471) 10.452 4.402 ( 12.196 4.641 1.798) 13.172 4.473 ( 4.153 -2.913 4.119) 6.534 4.541 ( 3.361 -3.926 0.021) 5.169 4.608 ( -2.873 2.027 13.835) 14.275 4.650 ( 5.360 -3.176 2.737) 6.805 4.706 ( -4.110 -0.571 1.762) 4.508 4.866 ( -4.856 4.777 -4.566) 8.200 4.961 ( -0.633 2.481 5.087) 5.695 4.980 ( -4.175 -4.365 -0.723) 6.083 5.015 ( -6.030 -3.292 2.877) 7.448 5.077 ( -4.237 -3.728 0.643) 5.680 5.127 ( 2.281 -7.165 3.776) 8.414 5.273 ( 3.969 3.462 -1.396) 5.449 5.318 ( 3.148 -1.385 1.861) 3.911 5.452 ( 2.460 2.970 6.374) 7.450 5.505 ( -0.872 -1.113 -0.437) 1.480 5.600 ( 5.422 4.020 -2.417) 7.169 5.721 ( 7.485 -5.432 1.308) 9.341 5.833 ( 1.345 8.275 5.868) 10.233 5.912 ( -1.848 2.443 -0.365) 3.085 6.043 ( 1.282 3.674 -7.805) 8.721 6.129 ( -1.633 -1.356 -7.991) 8.268 6.205 ( -2.724 0.165 -6.886) 7.407 6.245 ( -1.681 5.164 -10.015) 11.393 6.323 ( -4.358 4.570 -0.833) 6.370 6.366 ( -5.084 3.037 -5.147) 7.847 6.536 ( -5.230 -7.248 2.840) 9.379 6.553 ( -5.317 -1.085 4.405) 6.989 6.635 ( -2.861 -4.505 -5.859) 7.925 6.680 ( -4.654 -5.984 -3.823) 8.490 6.730 ( -2.228 -1.805 -0.588) 2.927 6.749 ( -2.609 -4.855 -1.352) 5.675 6.907 ( -0.405 2.590 3.394) 4.288 7.038 ( -2.907 -7.450 6.563) 10.345 7.221 ( -2.707 0.959 0.921) 3.016 7.252 ( -5.519 -2.596 -2.186) 6.480 7.428 ( 2.409 5.417 0.703) 5.970 7.497 ( 0.917 0.900 -5.295) 5.448 7.527 ( 0.687 -3.957 -5.494) 6.805 7.583 ( 3.549 -5.932 -1.943) 7.180 7.751 ( -6.590 4.861 -3.103) 8.757 7.787 ( -7.240 -0.635 -0.559) 7.289 7.907 ( 0.441 1.749 -0.003) 1.804 7.959 ( 0.342 0.082 -1.925) 1.957 7.969 ( 2.136 0.551 -0.918) 2.389 8.047 ( -0.704 -3.890 -0.320) 3.966 8.207 ( 1.097 3.413 5.685) 6.721 8.248 ( -0.650 4.225 -1.185) 4.436 8.310 ( 5.229 -7.568 5.537) 10.737 8.372 ( -1.756 -7.477 -1.925) 7.918 8.481 ( -1.280 1.135 3.848) 4.211 8.523 ( 2.011 -3.283 3.029) 4.899 8.713 ( -1.067 3.056 -2.140) 3.880 8.740 ( -2.903 0.956 -1.215) 3.289 8.829 ( -1.269 1.513 -0.981) 2.205 8.930 ( 1.556 -2.402 1.363) 3.170 9.036 ( -1.074 1.516 5.567) 5.869 9.105 ( -0.033 2.011 5.610) 5.960 9.159 ( -1.349 -2.328 4.805) 5.507 9.253 ( 2.946 -7.633 9.556) 12.580 9.371 ( -0.703 1.728 -4.939) 5.279 9.435 ( -1.329 -4.030 -4.067) 5.877 9.779 ( 0.033 7.137 -3.059) 7.765 9.862 ( -2.749 -0.734 -2.097) 3.534 10.009 ( -7.032 5.863 3.138) 9.678 10.020 ( -1.059 2.041 1.016) 2.514 10.082 ( 2.508 1.410 1.796) 3.392 10.170 ( -4.308 -4.933 3.704) 7.524 10.257 ( 2.996 3.027 -0.655) 4.309 10.344 ( 3.953 -5.125 2.076) 6.797 10.432 ( -8.255 2.608 1.756) 8.833 10.477 ( -3.026 -1.830 2.632) 4.408 10.631 ( -1.186 4.885 1.747) 5.321 10.701 ( -2.432 -0.658 1.265) 2.819 10.827 ( -0.753 3.496 -1.918) 4.058 10.892 ( 2.774 -2.418 -3.094) 4.808 11.053 ( -4.049 3.982 -2.573) 6.235 11.104 ( -1.641 -1.020 -2.557) 3.205 11.383 ( -3.897 -2.342 4.753) 6.577 11.411 ( -3.734 -2.950 -0.486) 4.784 11.499 ( -0.437 1.072 -0.856) 1.440 11.575 ( 3.153 -6.566 0.459) 7.298 11.790 ( -5.277 0.665 -3.980) 6.643 11.813 ( -4.720 -1.484 -2.093) 5.373 12.020 ( -3.697 2.803 3.620) 5.885 12.091 ( -5.952 -4.577 3.037) 8.100 12.503 ( -5.024 2.103 -3.988) 6.750 12.533 ( -4.900 -1.156 -5.460) 7.427 12.585 ( -1.457 0.389 -3.383) 3.704 12.607 ( -2.910 -1.470 -7.909) 8.555 13.061 ( 2.014 3.968 0.642) 4.496 13.117 ( 0.521 -0.379 0.675) 0.932 13.252 ( 3.679 2.620 -3.753) 5.872 13.357 ( -3.925 -6.037 -2.329) 7.568 13.631 ( 14.369 3.362 3.877) 15.258 13.670 ( 14.394 -0.330 1.797) 14.510 13.930 ( 0.761 3.094 -2.850) 4.275 14.020 ( -0.834 -5.161 -3.509) 6.297 14.138 ( 11.074 1.666 4.587) 12.102 14.165 ( 6.616 -1.175 4.658) 8.176 14.418 ( 6.497 5.981 1.965) 9.047 14.552 ( 9.493 -6.515 0.663) 11.533 14.711 ( 0.863 0.944 -4.252) 4.440 14.760 ( -2.025 -3.837 -0.063) 4.339 14.879 ( 2.305 4.607 -0.637) 5.190 14.934 ( 2.817 -1.089 -0.824) 3.131 15.092 ( 7.174 7.007 1.574) 10.151 15.279 ( 7.111 -9.225 4.590) 12.520 15.588 ( 1.196 7.886 -1.859) 8.190 15.686 ( -0.662 4.866 -0.187) 4.914 15.862 ( -0.254 -4.656 -0.256) 4.670 16.004 ( -6.133 -10.887 1.546) 12.590 16.288 ( 10.361 6.165 -2.315) 12.276 16.407 ( 7.615 -5.222 0.858) 9.273 16.440 ( 10.638 2.196 0.387) 10.869 16.516 ( 3.505 -4.221 1.350) 5.650 16.876 ( 2.923 1.969 0.313) 3.538 16.885 ( 2.114 1.096 0.772) 2.503 18.259 ( -2.112 2.160 0.284) 3.034 18.294 ( -0.113 -1.168 0.679) 1.356 18.410 ( -4.308 3.205 1.556) 5.590 18.484 ( -3.809 -4.215 1.768) 5.949 19.185 ( -7.178 2.634 1.524) 7.797 19.242 ( -7.521 -2.871 0.819) 8.092 19.391 ( -5.254 0.537 -1.850) 5.596 19.404 ( -6.643 -0.574 -1.773) 6.900 25.014 ( 0.221 3.731 1.301) 3.958 25.095 ( 4.303 -4.214 1.406) 6.185 25.122 ( 2.614 3.385 -1.950) 4.700 25.220 ( 7.792 -6.618 -2.045) 10.426 26.833 ( 0.651 1.025 -1.006) 1.577 26.862 ( 1.130 -1.832 -1.035) 2.388 26.996 ( -0.599 3.891 -0.726) 4.003 27.081 ( 0.061 -4.238 -1.380) 4.457 27.974 ( -0.354 4.048 2.081) 4.565 28.029 ( 0.682 -1.610 2.642) 3.168 28.089 ( 1.680 6.947 -0.368) 7.157 28.172 ( 3.679 -1.407 -1.083) 4.086 28.351 ( 0.791 6.274 7.448) 9.771 28.449 ( 1.777 -3.661 6.178) 7.398 28.744 ( 4.041 0.305 -0.897) 4.150 28.778 ( 4.190 -2.629 -0.421) 4.964 28.926 ( 9.142 0.860 -2.148) 9.431 28.936 ( 7.182 0.267 -1.810) 7.411 29.703 ( -11.873 11.580 -15.210) 22.503 29.800 ( -11.670 2.976 -1.797) 12.177 29.870 ( -5.858 -3.555 -11.387) 13.290 29.953 ( -12.707 -7.901 -4.345) 15.581 30.376 ( -1.589 1.163 2.094) 2.875 30.388 ( 0.964 -0.172 1.768) 2.021 30.570 ( 3.915 1.418 0.221) 4.170 30.608 ( 6.554 -2.246 1.712) 7.137 30.925 ( -5.829 6.723 9.757) 13.205 31.119 ( -5.028 -13.038 9.878) 17.113 ======================= Grid point 51 (29/54) ======================= q-point: ( 0.29 0.40 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 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 Number of triplets: 88 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.832 ( 0.310 4.827 2.938) 5.660 1.905 ( 7.969 -1.424 11.127) 13.761 2.025 ( 10.559 18.313 -3.466) 21.421 2.275 ( -0.402 -1.873 -7.686) 7.921 2.364 ( -2.990 -0.445 2.566) 3.965 2.427 ( 2.860 -4.353 3.026) 6.024 2.731 ( -7.717 8.146 8.824) 14.275 2.815 ( 3.701 2.217 -2.415) 4.944 2.930 ( 2.538 -0.502 13.945) 14.183 3.026 ( 9.742 -6.084 4.385) 12.294 3.121 ( 0.987 8.574 -0.513) 8.646 3.337 ( -7.222 -6.307 0.363) 9.595 3.377 ( 4.860 10.011 -6.526) 12.901 3.508 ( 7.353 0.363 -14.680) 16.423 3.642 ( 2.597 11.042 3.012) 11.736 3.682 ( 3.493 6.567 -8.040) 10.953 3.783 ( -6.732 2.363 1.770) 7.351 3.829 ( 3.686 -0.637 -10.222) 10.885 3.874 ( 8.914 2.553 -5.240) 10.651 3.948 ( -1.019 -5.611 -7.079) 9.090 4.066 ( 1.688 -1.901 -1.419) 2.911 4.116 ( 0.813 -2.674 -2.171) 3.539 4.214 ( 0.875 6.282 -1.358) 6.486 4.316 ( 8.743 -1.641 -0.765) 8.928 4.395 ( -0.852 2.081 3.490) 4.152 4.444 ( -6.293 -1.418 4.351) 7.781 4.535 ( 4.945 9.541 12.164) 16.231 4.559 ( -2.923 2.761 -0.071) 4.022 4.594 ( 7.383 2.903 3.957) 8.865 4.666 ( 8.948 3.543 -2.654) 9.983 4.706 ( 8.481 1.833 6.432) 10.801 4.734 ( 5.381 -3.160 -1.706) 6.469 4.815 ( 1.074 -3.768 -0.629) 3.968 4.876 ( -1.859 -2.438 10.052) 10.510 4.931 ( 3.051 0.451 1.164) 3.296 5.015 ( 4.098 -6.067 -4.619) 8.657 5.090 ( 7.446 1.761 0.437) 7.664 5.237 ( 9.329 -9.388 3.433) 13.673 5.376 ( 5.160 3.336 1.123) 6.246 5.412 ( -1.153 7.699 8.734) 11.700 5.483 ( 9.331 -4.850 6.398) 12.310 5.552 ( 2.556 2.198 -2.778) 4.368 5.684 ( -4.925 -5.872 1.699) 7.850 5.737 ( -2.428 -2.512 -1.578) 3.833 5.872 ( -8.314 5.119 -3.753) 10.460 5.918 ( 2.398 7.218 2.600) 8.037 5.962 ( -3.484 -3.727 0.085) 5.102 6.024 ( 4.215 2.146 3.760) 6.042 6.172 ( -1.566 -1.116 -3.836) 4.291 6.212 ( -2.399 3.821 -3.765) 5.876 6.242 ( -3.063 -10.269 -3.487) 11.269 6.309 ( -2.132 -4.253 -4.072) 6.262 6.464 ( -10.685 4.741 -0.785) 11.716 6.521 ( 7.458 7.108 1.627) 10.430 6.577 ( -3.411 -3.675 -9.417) 10.668 6.650 ( 1.786 -5.103 10.844) 12.117 6.678 ( -1.246 -2.632 -1.046) 3.094 6.753 ( 2.675 -5.151 -4.970) 7.641 6.855 ( -0.232 6.923 1.355) 7.058 6.988 ( -4.260 -5.958 4.960) 8.845 7.099 ( -4.854 0.140 1.375) 5.047 7.162 ( -2.157 -6.289 -0.758) 6.691 7.405 ( -10.570 0.625 -4.090) 11.351 7.438 ( -7.689 -1.766 -1.662) 8.062 7.545 ( -0.965 3.736 2.803) 4.769 7.599 ( -6.895 0.827 -2.504) 7.382 7.639 ( -2.082 -2.205 -3.716) 4.796 7.645 ( -0.138 -4.326 0.057) 4.328 7.874 ( -4.709 1.278 0.528) 4.908 7.921 ( -3.529 -3.178 -1.529) 4.989 7.980 ( 0.269 2.420 1.814) 3.036 8.059 ( 0.222 -4.344 -1.942) 4.764 8.196 ( -1.050 5.191 1.818) 5.600 8.242 ( -1.268 1.187 1.040) 2.024 8.341 ( 2.315 -0.030 -6.161) 6.582 8.415 ( 2.231 -5.728 -0.982) 6.225 8.491 ( 1.547 2.708 1.303) 3.380 8.575 ( 1.281 -4.972 0.798) 5.196 8.703 ( -0.044 1.891 -2.382) 3.042 8.715 ( 1.194 0.081 -3.653) 3.844 8.784 ( -2.750 4.432 0.113) 5.217 8.915 ( -1.203 -6.025 3.394) 7.019 9.038 ( 0.156 3.485 1.508) 3.800 9.099 ( -0.566 -1.605 1.970) 2.604 9.160 ( 0.372 1.824 2.851) 3.405 9.263 ( -2.189 -7.200 4.857) 8.957 9.364 ( 0.060 2.255 -3.817) 4.434 9.426 ( 0.277 -4.080 -3.946) 5.683 9.751 ( -3.032 3.490 0.560) 4.657 9.810 ( -0.969 -1.946 3.633) 4.233 9.903 ( -4.007 6.216 4.001) 8.409 10.005 ( -1.814 -0.426 3.558) 4.017 10.096 ( -1.321 1.463 2.091) 2.874 10.162 ( 0.868 -3.674 0.329) 3.789 10.225 ( -5.019 5.343 2.600) 7.778 10.317 ( -0.043 -1.057 0.837) 1.349 10.399 ( 0.069 1.139 -0.070) 1.144 10.451 ( 5.370 -2.827 1.031) 6.156 10.651 ( 2.056 0.387 1.488) 2.567 10.659 ( -1.674 0.388 1.000) 1.988 10.778 ( -2.933 5.631 -4.165) 7.594 10.861 ( -4.291 -0.972 -6.925) 8.204 11.022 ( -1.604 1.095 -0.473) 1.999 11.090 ( 0.189 -3.432 -1.620) 3.800 11.311 ( -1.940 1.448 0.652) 2.507 11.379 ( -0.509 -4.244 -1.059) 4.403 11.535 ( 3.307 5.185 0.261) 6.156 11.606 ( -6.979 0.137 -5.795) 9.072 11.681 ( 0.520 -1.279 -0.370) 1.429 11.754 ( 0.356 -6.427 3.048) 7.122 11.933 ( -4.279 0.885 0.333) 4.382 11.964 ( -6.176 -2.891 3.454) 7.644 12.373 ( -8.439 2.314 -1.657) 8.906 12.436 ( -6.934 -3.757 -0.543) 7.905 12.563 ( -0.756 1.556 -2.242) 2.831 12.596 ( 1.895 -1.598 0.980) 2.666 12.934 ( -7.821 4.846 -2.432) 9.517 13.000 ( -6.846 -1.401 -0.419) 7.000 13.340 ( 2.623 2.388 -3.538) 5.010 13.402 ( 0.689 -3.658 -2.404) 4.431 13.820 ( 1.764 3.528 -0.160) 3.947 13.866 ( 4.503 0.023 1.201) 4.660 13.995 ( 6.009 2.373 0.185) 6.463 14.041 ( 5.568 -2.802 -3.616) 7.207 14.302 ( 9.637 1.129 1.296) 9.789 14.356 ( 9.809 -3.769 1.862) 10.672 14.578 ( 8.455 5.968 -1.069) 10.404 14.740 ( 5.315 -9.511 1.630) 11.016 14.780 ( 6.340 1.994 -1.689) 6.857 14.840 ( 8.613 -3.818 -2.757) 9.816 14.945 ( 5.427 6.921 0.413) 8.805 15.033 ( 6.574 -1.538 0.472) 6.768 15.214 ( 4.814 6.357 7.200) 10.743 15.360 ( 2.315 -5.264 10.690) 12.138 15.580 ( -1.735 5.290 -3.563) 6.610 15.657 ( -2.745 2.565 -0.233) 3.764 15.866 ( -1.078 -3.812 2.571) 4.723 15.926 ( 0.753 -8.023 -2.639) 8.479 16.368 ( 0.413 2.900 -1.086) 3.125 16.413 ( -1.752 -1.616 -1.184) 2.662 16.674 ( 10.346 3.563 1.422) 11.034 16.765 ( 10.536 -4.873 2.609) 11.898 16.953 ( 5.405 2.173 -3.149) 6.622 16.986 ( 7.867 -1.563 -4.797) 9.346 18.210 ( -2.587 4.130 -0.517) 4.901 18.282 ( -1.296 -2.117 -0.126) 2.486 18.322 ( -4.312 2.331 0.123) 4.903 18.394 ( -5.210 -4.126 2.903) 7.252 19.011 ( -9.571 2.174 0.159) 9.816 19.053 ( -10.112 -1.937 -0.890) 10.335 19.263 ( -6.367 1.048 -1.158) 6.556 19.298 ( -3.928 -2.487 -1.516) 4.890 25.032 ( 1.162 6.065 1.834) 6.442 25.178 ( 4.006 -5.944 1.585) 7.341 25.187 ( 3.385 3.699 -2.346) 5.536 25.375 ( 7.390 -13.234 -3.523) 15.562 26.851 ( 1.123 2.422 -1.129) 2.899 26.883 ( 1.010 -0.523 -1.246) 1.687 26.982 ( -0.746 3.891 -0.554) 4.000 27.066 ( -1.496 -3.841 -0.920) 4.224 27.985 ( 1.442 4.851 2.387) 5.595 28.052 ( 1.532 -2.267 3.601) 4.523 28.128 ( 1.645 9.216 0.650) 9.384 28.247 ( 3.163 -1.999 -0.871) 3.842 28.366 ( 1.042 8.328 5.606) 10.094 28.496 ( 2.844 -5.081 4.453) 7.330 28.853 ( 6.168 0.299 -0.968) 6.250 28.880 ( 6.177 -2.325 -0.724) 6.640 29.114 ( 8.894 3.562 -3.293) 10.131 29.156 ( 13.434 -1.403 -1.423) 13.582 29.439 ( -8.999 9.559 -2.261) 13.322 29.578 ( -12.504 -3.154 -5.512) 14.024 29.703 ( -9.217 -0.709 -4.888) 10.457 29.761 ( -6.969 -6.562 -8.084) 12.529 30.272 ( -10.058 3.770 4.401) 11.608 30.340 ( -8.811 -3.016 4.633) 10.402 30.577 ( -1.195 3.868 4.493) 6.048 30.663 ( 0.526 -4.607 5.037) 6.847 30.897 ( 2.797 5.939 -1.583) 6.753 31.055 ( -0.866 -9.803 1.160) 9.909 ======================= Grid point 52 (30/54) ======================= q-point: ( 0.43 0.40 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 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 Number of triplets: 88 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.819 ( -1.247 12.765 6.700) 14.470 1.981 ( 6.653 3.107 1.026) 7.414 2.105 ( -6.960 -1.389 0.909) 7.155 2.170 ( -5.216 -7.057 -2.909) 9.245 2.505 ( 14.106 7.154 -1.709) 15.909 2.569 ( 3.121 0.757 8.533) 9.117 2.703 ( 3.032 3.487 10.236) 11.231 2.780 ( -2.990 -1.260 -1.866) 3.743 3.004 ( 3.702 7.963 2.616) 9.163 3.108 ( 3.882 9.081 -1.080) 9.935 3.168 ( -1.558 -4.030 4.376) 6.149 3.267 ( 2.687 -4.736 -4.266) 6.917 3.418 ( -2.966 14.310 -5.796) 15.722 3.556 ( -0.176 0.811 -6.910) 6.960 3.613 ( -8.098 3.006 -0.861) 8.681 3.688 ( 1.216 3.444 -5.111) 6.282 3.794 ( 2.742 0.028 -9.278) 9.675 3.860 ( 0.133 -1.222 -4.605) 4.767 3.903 ( 3.541 -4.772 -6.511) 8.815 3.957 ( -0.152 -8.180 -3.068) 8.738 4.075 ( -1.875 2.928 -1.661) 3.853 4.125 ( -0.349 -0.302 -4.202) 4.228 4.243 ( 1.045 8.490 0.287) 8.559 4.333 ( -0.432 0.128 2.182) 2.228 4.353 ( 1.906 1.245 0.507) 2.332 4.399 ( 1.398 -4.313 -3.953) 6.016 4.465 ( -2.751 6.494 4.832) 8.549 4.589 ( 0.461 -0.173 5.013) 5.037 4.655 ( -6.992 1.359 2.748) 7.634 4.705 ( -3.678 -6.330 7.075) 10.181 4.762 ( -0.760 0.505 1.534) 1.785 4.832 ( 9.169 -1.112 2.559) 9.584 4.950 ( 7.325 7.025 2.225) 10.390 5.067 ( 7.317 2.666 -4.435) 8.962 5.093 ( 9.170 -1.863 -1.719) 9.514 5.138 ( 0.742 0.286 -4.683) 4.750 5.226 ( 6.823 5.286 0.157) 8.633 5.313 ( -2.489 6.765 7.701) 10.548 5.377 ( -4.081 -3.753 -0.303) 5.553 5.471 ( 1.074 -1.381 2.643) 3.170 5.520 ( -1.109 1.386 -1.132) 2.105 5.571 ( 0.800 1.191 1.192) 1.865 5.647 ( 1.252 -1.920 8.246) 8.559 5.758 ( 8.300 -2.912 9.475) 12.929 5.812 ( -1.667 -1.204 -0.918) 2.252 5.861 ( -2.374 -4.318 -1.936) 5.294 5.991 ( -4.073 -1.855 3.844) 5.900 6.010 ( 1.398 2.312 2.065) 3.401 6.082 ( -6.206 -5.415 2.345) 8.564 6.179 ( 2.097 -4.510 1.798) 5.289 6.271 ( -1.800 10.310 -2.967) 10.878 6.305 ( 2.520 -1.340 -1.648) 3.296 6.399 ( 5.915 -4.075 0.900) 7.239 6.482 ( -2.643 -7.574 -0.785) 8.061 6.598 ( -2.047 2.302 4.872) 5.764 6.645 ( 2.890 -2.827 4.978) 6.412 6.813 ( 0.885 2.335 -0.517) 2.550 6.843 ( 10.767 3.718 -2.803) 11.730 6.888 ( -1.068 -0.967 3.311) 3.611 6.948 ( 6.703 -2.664 1.437) 7.355 7.009 ( -5.216 3.209 -1.337) 6.268 7.168 ( 1.389 -7.615 1.053) 7.812 7.182 ( -8.144 1.491 2.232) 8.575 7.246 ( -6.783 -3.329 3.659) 8.396 7.452 ( -5.955 -0.050 -1.129) 6.061 7.480 ( -2.197 -2.135 -2.423) 3.906 7.603 ( -4.260 3.422 -4.786) 7.264 7.665 ( -0.154 -1.107 -3.237) 3.424 7.795 ( -1.947 -1.941 2.353) 3.619 7.837 ( -3.484 -7.358 -1.592) 8.296 7.983 ( 0.156 4.988 -3.371) 6.022 8.036 ( -2.650 -1.199 -1.010) 3.079 8.148 ( -2.658 2.591 0.155) 3.715 8.255 ( -0.154 -5.470 -6.292) 8.339 8.391 ( 2.409 1.652 -5.883) 6.568 8.420 ( 0.385 -1.437 -2.098) 2.571 8.516 ( 0.486 1.031 -2.811) 3.034 8.547 ( -2.661 -1.255 -4.868) 5.688 8.686 ( -1.503 2.168 -2.785) 3.836 8.716 ( -0.155 -0.996 -2.719) 2.900 8.821 ( 4.960 5.066 8.509) 11.075 8.933 ( 1.665 -4.504 5.681) 7.438 9.034 ( -0.284 2.585 1.111) 2.828 9.082 ( -1.138 -1.825 1.742) 2.768 9.159 ( -0.164 -0.071 -0.785) 0.805 9.200 ( -3.186 -3.879 -0.310) 5.029 9.371 ( 0.816 1.385 -2.679) 3.124 9.437 ( 1.410 -4.583 -3.061) 5.688 9.693 ( -2.712 4.022 2.594) 5.501 9.785 ( -2.810 -4.850 1.289) 5.751 9.855 ( -1.049 5.230 6.148) 8.140 9.950 ( -2.263 -2.232 3.754) 4.919 10.085 ( -1.079 2.828 6.698) 7.351 10.127 ( 1.452 1.304 4.398) 4.811 10.282 ( 4.026 -0.351 -2.042) 4.528 10.298 ( -0.132 -1.331 -1.187) 1.788 10.474 ( 3.546 5.122 -2.531) 6.725 10.553 ( 3.898 -3.324 0.433) 5.141 10.626 ( -0.506 0.513 -2.918) 3.006 10.648 ( -2.144 -0.887 -0.707) 2.425 10.742 ( -1.511 3.268 -4.719) 5.936 10.784 ( -2.247 0.458 -4.850) 5.365 11.002 ( 0.568 0.751 2.851) 3.003 11.103 ( 0.699 -6.804 0.672) 6.873 11.295 ( -0.502 2.642 -3.329) 4.280 11.370 ( -0.575 -4.762 -2.914) 5.612 11.440 ( -6.327 6.313 -4.623) 10.063 11.555 ( -1.761 -3.016 -3.117) 4.681 11.703 ( 0.233 2.286 3.919) 4.543 11.767 ( -3.266 -2.361 7.008) 8.084 11.907 ( 2.062 2.657 -0.278) 3.375 11.938 ( 5.420 -1.195 -1.758) 5.822 12.209 ( -7.219 0.347 1.711) 7.428 12.283 ( -5.281 -5.945 5.009) 9.398 12.559 ( 0.133 4.247 -0.785) 4.321 12.640 ( 1.603 -3.665 1.470) 4.261 12.842 ( -1.846 5.371 -4.700) 7.372 12.933 ( -0.720 -3.596 -1.761) 4.068 13.333 ( -1.970 1.093 -2.909) 3.679 13.350 ( -3.128 -0.654 -2.083) 3.815 13.846 ( 0.579 1.701 -0.084) 1.799 13.875 ( -1.237 -0.727 0.434) 1.499 14.084 ( 1.997 2.056 -2.374) 3.722 14.113 ( 1.878 -1.389 -5.375) 5.861 14.498 ( 7.491 -0.780 1.731) 7.728 14.517 ( 5.100 -2.281 1.565) 5.801 14.709 ( 4.423 2.912 0.103) 5.297 14.791 ( 1.056 -3.804 0.038) 3.948 14.872 ( 2.334 3.040 -1.865) 4.262 14.956 ( 2.068 -5.763 0.242) 6.128 15.061 ( 4.374 4.092 0.123) 5.991 15.123 ( 1.037 -1.430 -1.229) 2.152 15.283 ( 0.887 9.275 7.755) 12.123 15.401 ( 2.543 1.088 8.633) 9.065 15.542 ( -4.728 2.215 1.549) 5.446 15.600 ( 2.149 -7.718 0.636) 8.036 15.878 ( 1.716 2.304 1.703) 3.339 15.962 ( 1.249 -7.113 0.822) 7.269 16.369 ( 0.004 0.779 -5.233) 5.291 16.386 ( -0.138 -1.262 -5.354) 5.502 16.778 ( 0.135 4.491 6.170) 7.632 16.854 ( 0.706 -2.060 4.382) 4.893 17.071 ( 5.568 3.170 -5.054) 8.160 17.124 ( 5.038 -2.097 -4.190) 6.880 18.171 ( -1.558 5.018 1.353) 5.425 18.222 ( -3.025 2.693 -0.339) 4.065 18.279 ( -2.573 -3.483 1.313) 4.524 18.305 ( -1.190 -3.484 -2.048) 4.212 18.870 ( -3.717 2.065 -0.516) 4.283 18.912 ( -3.292 -2.046 -1.435) 4.133 19.178 ( -2.227 2.156 -0.346) 3.118 19.246 ( -1.416 -4.562 -2.041) 5.195 25.049 ( 0.331 7.067 1.947) 7.338 25.229 ( 0.928 -6.263 0.383) 6.343 25.244 ( 2.245 3.149 -1.122) 4.027 25.480 ( 3.132 -16.312 -3.913) 17.065 26.868 ( 0.446 3.984 -1.065) 4.148 26.903 ( 1.172 0.282 -1.865) 2.221 26.968 ( -0.627 2.717 -0.033) 2.789 27.029 ( -1.954 -2.788 -1.035) 3.559 28.028 ( 2.690 4.365 3.310) 6.103 28.084 ( 1.375 -2.001 4.877) 5.448 28.136 ( -0.820 10.386 1.784) 10.570 28.272 ( -0.279 -0.967 -1.041) 1.448 28.416 ( 3.390 9.095 3.239) 10.232 28.537 ( -0.210 -3.568 3.793) 5.212 28.903 ( -1.101 5.291 -2.701) 6.042 29.016 ( 5.676 -5.688 -2.395) 8.385 29.185 ( 2.809 4.386 -3.385) 6.212 29.298 ( -3.477 -6.005 -2.553) 7.394 29.443 ( 2.065 -0.252 -4.450) 4.912 29.456 ( -0.022 -1.486 -3.662) 3.952 29.610 ( 6.813 3.072 1.600) 7.643 29.689 ( 2.955 -4.796 -0.417) 5.648 30.021 ( -13.825 3.172 3.849) 14.697 30.086 ( -14.096 -3.278 4.436) 15.137 30.583 ( 0.835 4.044 3.489) 5.406 30.677 ( 0.722 -5.130 3.199) 6.089 30.948 ( 1.490 4.366 -2.861) 5.428 31.058 ( 0.114 -6.502 -2.372) 6.923 ======================= Grid point 53 (31/54) ======================= q-point: (-0.43 0.40 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 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 Number of triplets: 88 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.769 ( -3.558 12.824 4.230) 13.965 1.957 ( -9.778 -3.541 1.981) 10.586 2.114 ( 5.828 5.817 -0.779) 8.271 2.250 ( 10.817 -8.360 0.440) 13.678 2.462 ( -8.554 1.925 2.898) 9.235 2.481 ( -5.336 0.221 6.061) 8.078 2.792 ( -1.364 9.374 8.008) 12.404 2.881 ( 3.188 1.027 -0.894) 3.467 3.014 ( 0.402 3.176 3.335) 4.623 3.128 ( -3.684 -6.667 1.687) 7.802 3.149 ( -1.003 11.870 -0.258) 11.915 3.338 ( 4.403 -2.733 -1.606) 5.425 3.371 ( -1.196 17.522 -5.336) 18.356 3.491 ( 0.415 4.411 -7.750) 8.927 3.594 ( -2.790 -0.135 -13.759) 14.040 3.624 ( 0.029 -7.083 0.561) 7.105 3.735 ( -4.699 7.363 -1.683) 8.896 3.885 ( -0.066 -3.866 -0.397) 3.887 3.977 ( -1.266 -0.054 -4.326) 4.508 4.047 ( 3.257 -5.682 -5.479) 8.539 4.076 ( 6.898 2.620 -4.302) 8.541 4.159 ( 2.158 -3.101 -4.431) 5.823 4.190 ( 1.794 7.767 -5.842) 9.883 4.350 ( -8.683 -2.723 -2.695) 9.490 4.372 ( 2.887 3.666 5.779) 7.428 4.427 ( 5.859 -2.397 6.719) 9.232 4.470 ( -2.253 2.450 -0.337) 3.345 4.518 ( -1.050 -0.633 -2.680) 2.948 4.572 ( -5.229 -5.597 -1.030) 7.729 4.679 ( -1.329 -3.640 6.063) 7.195 4.751 ( -4.494 2.153 1.564) 5.222 4.845 ( -13.457 -3.510 0.847) 13.933 4.878 ( -3.221 6.824 2.388) 7.915 5.017 ( 2.420 -3.059 7.104) 8.105 5.120 ( -2.727 13.056 2.909) 13.651 5.156 ( -8.427 12.864 6.987) 16.891 5.297 ( -2.412 0.745 -2.125) 3.300 5.316 ( 1.445 0.558 -5.409) 5.627 5.386 ( -1.920 2.006 2.955) 4.055 5.423 ( 0.921 0.930 -0.263) 1.335 5.474 ( -4.557 -1.351 -2.479) 5.360 5.526 ( 1.234 -7.281 3.195) 8.047 5.660 ( -2.121 -3.562 1.565) 4.431 5.695 ( -0.160 -7.651 1.000) 7.717 5.836 ( -5.573 0.417 -3.431) 6.558 5.881 ( -4.633 -2.201 0.548) 5.159 5.986 ( 6.631 0.102 4.197) 7.849 6.027 ( 1.838 1.969 7.697) 8.154 6.123 ( 3.507 -6.094 1.565) 7.204 6.215 ( 4.950 -4.600 1.802) 6.994 6.232 ( -2.967 2.475 -0.579) 3.907 6.298 ( -7.311 -2.075 3.685) 8.446 6.387 ( 2.057 3.933 -0.166) 4.442 6.506 ( 1.622 -6.022 -0.662) 6.271 6.645 ( 2.480 1.426 6.708) 7.292 6.703 ( 0.245 -2.212 5.927) 6.330 6.774 ( 1.576 5.332 -2.140) 5.958 6.845 ( -8.202 1.027 -1.715) 8.442 6.886 ( -5.905 -2.843 4.786) 8.115 6.954 ( 1.419 -8.314 -0.010) 8.434 7.117 ( 10.572 4.138 -1.580) 11.462 7.172 ( 6.445 -1.536 -1.198) 6.733 7.285 ( 9.399 2.117 4.533) 10.647 7.332 ( 8.527 -0.463 8.065) 11.746 7.422 ( 4.521 3.455 -1.041) 5.784 7.477 ( -3.343 5.665 -5.559) 8.612 7.533 ( 7.722 -5.359 1.056) 9.459 7.612 ( -5.124 -4.291 -7.522) 10.063 7.772 ( -0.498 -1.186 1.124) 1.708 7.839 ( 1.971 -7.093 -2.724) 7.850 7.945 ( -2.442 3.965 -3.462) 5.803 8.016 ( 1.604 -2.470 -1.954) 3.534 8.122 ( 0.268 1.981 -2.049) 2.863 8.236 ( 0.115 -7.034 -6.187) 9.368 8.427 ( 0.925 1.269 -2.585) 3.025 8.430 ( 1.534 0.837 -4.682) 4.998 8.497 ( -2.184 0.908 -1.912) 3.042 8.522 ( -0.370 -1.404 -4.274) 4.514 8.681 ( 0.456 3.924 -1.277) 4.151 8.745 ( 3.179 -1.835 -2.315) 4.340 8.896 ( 1.895 3.921 4.996) 6.627 8.950 ( 0.961 -1.053 7.688) 7.819 9.030 ( -0.737 0.745 0.779) 1.306 9.073 ( -0.305 -3.492 3.465) 4.929 9.143 ( -1.621 -1.192 -0.590) 2.096 9.164 ( -0.827 -3.319 -2.107) 4.018 9.407 ( 3.421 2.773 -3.185) 5.434 9.494 ( 3.910 -5.124 -4.593) 7.915 9.647 ( -1.624 3.784 2.392) 4.762 9.733 ( -1.887 -4.306 1.630) 4.975 9.847 ( 0.193 4.038 6.493) 7.649 9.936 ( 0.318 -3.708 5.006) 6.238 10.102 ( 2.707 4.662 6.072) 8.120 10.158 ( 1.149 1.036 4.759) 5.004 10.256 ( -5.094 1.639 -2.392) 5.862 10.325 ( -0.268 -4.637 -1.684) 4.940 10.469 ( -2.528 6.251 -1.065) 6.826 10.571 ( -2.961 -3.874 1.532) 5.111 10.619 ( -0.705 4.190 -0.454) 4.273 10.656 ( 1.041 -1.032 -1.956) 2.444 10.742 ( 3.600 0.723 -6.194) 7.200 10.795 ( 5.196 -1.920 -5.612) 7.885 11.041 ( 2.896 2.257 2.681) 4.546 11.124 ( 1.735 -4.398 1.360) 4.919 11.223 ( -5.334 4.501 -4.915) 8.537 11.328 ( -4.220 -3.775 -5.197) 7.685 11.430 ( 3.032 2.490 -2.297) 4.547 11.516 ( -1.406 -5.961 -1.763) 6.373 11.675 ( -2.774 0.708 3.854) 4.801 11.697 ( -1.052 -0.849 0.575) 1.470 11.947 ( -0.099 4.645 0.527) 4.676 12.018 ( -0.319 -3.040 1.335) 3.336 12.208 ( 11.362 6.641 5.167) 14.139 12.357 ( 11.515 -7.786 6.170) 15.208 12.569 ( 0.912 3.920 -1.480) 4.288 12.636 ( -1.630 -2.696 -0.914) 3.280 12.827 ( -0.317 5.384 -4.455) 6.995 12.930 ( -0.099 -4.755 -2.161) 5.224 13.317 ( 1.086 1.582 -3.215) 3.744 13.350 ( 3.148 -1.642 -2.483) 4.333 13.802 ( -5.294 1.528 -1.942) 5.843 13.825 ( -4.618 -0.333 0.184) 4.634 14.081 ( -1.868 2.364 -2.355) 3.823 14.136 ( 0.569 -2.986 -3.780) 4.850 14.506 ( -6.377 -0.274 2.140) 6.732 14.529 ( -4.335 -2.670 1.999) 5.470 14.735 ( -1.618 1.417 0.606) 2.235 14.774 ( -3.012 -1.937 -1.249) 3.793 14.868 ( -2.589 1.613 -2.711) 4.081 14.908 ( -6.791 -1.972 1.229) 7.178 15.080 ( -4.278 0.920 -0.373) 4.392 15.089 ( -2.013 0.525 -1.519) 2.576 15.250 ( -2.155 6.498 5.345) 8.685 15.359 ( -7.049 -2.645 6.980) 10.266 15.573 ( 6.507 5.602 2.973) 9.086 15.681 ( 3.659 -5.239 4.051) 7.566 15.892 ( -0.398 1.201 2.287) 2.614 15.963 ( -0.503 -6.044 0.315) 6.073 16.360 ( -0.993 1.953 -6.348) 6.715 16.388 ( -0.142 -1.938 -5.349) 5.691 16.720 ( -5.467 4.862 4.242) 8.457 16.826 ( -3.697 -4.354 3.244) 6.568 17.134 ( 0.641 3.388 -3.635) 5.010 17.169 ( 0.189 -0.034 -1.468) 1.481 18.148 ( 0.453 2.768 0.292) 2.820 18.203 ( -0.168 -2.106 -0.567) 2.187 18.257 ( 2.528 3.975 0.420) 4.729 18.350 ( 4.133 -4.740 -0.244) 6.294 18.883 ( 4.808 2.737 -0.235) 5.538 18.934 ( 5.137 -2.178 -0.924) 5.656 19.177 ( 2.148 1.426 -0.254) 2.591 19.238 ( 0.615 -4.720 -2.491) 5.372 25.043 ( -0.972 7.012 1.679) 7.275 25.219 ( -1.853 -6.757 0.614) 7.033 25.255 ( -1.220 3.426 -1.305) 3.864 25.486 ( -2.481 -16.205 -3.700) 16.806 26.865 ( -0.627 4.643 -1.263) 4.853 26.918 ( -0.359 -0.391 -1.560) 1.648 26.960 ( 0.359 2.101 -0.594) 2.213 27.004 ( -0.317 -1.922 -0.886) 2.140 28.067 ( -0.127 2.057 3.842) 4.360 28.098 ( -0.173 -0.594 4.357) 4.401 28.129 ( 1.268 10.972 3.528) 11.595 28.254 ( -1.549 2.549 -2.177) 3.693 28.448 ( -1.342 3.548 3.271) 5.009 28.475 ( -4.818 -1.302 3.358) 6.015 28.868 ( -1.778 4.971 -4.704) 7.072 28.998 ( -5.752 -6.239 -1.514) 8.620 29.249 ( -1.076 2.067 -1.245) 2.642 29.285 ( -2.668 -1.467 -4.987) 5.843 29.389 ( 1.684 2.254 -2.407) 3.703 29.462 ( 4.194 -5.018 -2.857) 7.137 29.732 ( -3.845 1.477 0.113) 4.121 29.780 ( -1.345 -3.090 -1.589) 3.725 29.952 ( 13.578 2.309 5.639) 14.882 30.011 ( 11.195 -3.237 3.859) 12.276 30.596 ( 0.512 4.204 4.094) 5.890 30.693 ( 0.987 -5.263 3.748) 6.536 30.939 ( -2.451 3.929 -3.149) 5.600 31.036 ( -2.449 -5.696 -3.244) 6.998 ======================= Grid point 54 (32/54) ======================= q-point: (-0.29 0.40 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 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 Number of triplets: 88 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.614 ( -17.554 6.418 4.052) 19.125 1.729 ( -6.043 -4.871 0.175) 7.763 2.173 ( -7.825 8.502 0.301) 11.559 2.332 ( -2.151 -0.384 -4.845) 5.315 2.454 ( 7.742 6.130 8.216) 12.845 2.512 ( 6.938 1.641 5.066) 8.746 2.650 ( -3.164 5.676 8.859) 10.987 2.886 ( -2.481 -3.890 8.636) 9.791 3.000 ( -6.103 -0.210 3.471) 7.024 3.082 ( -2.285 9.577 -3.717) 10.524 3.121 ( 0.194 -5.564 -1.406) 5.742 3.270 ( -8.508 -5.345 -8.509) 13.167 3.324 ( -1.402 18.979 -4.866) 19.643 3.494 ( -4.457 1.550 1.676) 5.008 3.597 ( -0.036 5.386 -9.348) 10.789 3.667 ( 3.950 5.091 -2.978) 7.099 3.722 ( 0.501 -3.799 -6.363) 7.428 3.802 ( -4.158 -1.476 -6.024) 7.467 3.913 ( -2.508 0.336 0.464) 2.573 3.922 ( -11.433 -0.004 2.290) 11.661 4.067 ( -11.749 6.935 -1.537) 13.729 4.138 ( -10.335 -0.140 -4.060) 11.105 4.293 ( 7.859 3.664 0.951) 8.723 4.313 ( -1.807 2.687 -3.275) 4.605 4.337 ( 2.091 -0.168 -1.953) 2.866 4.385 ( 0.343 1.732 -8.049) 8.241 4.491 ( -2.134 0.577 2.151) 3.085 4.511 ( -5.230 -0.211 5.498) 7.591 4.548 ( -0.732 -4.037 3.715) 5.535 4.602 ( 4.758 -6.933 5.939) 10.294 4.690 ( 3.061 2.351 3.233) 5.035 4.805 ( 4.240 -6.676 3.384) 8.602 4.867 ( -1.748 3.117 1.313) 3.807 4.940 ( 2.043 3.144 1.105) 3.909 5.072 ( -1.901 4.480 9.990) 11.112 5.114 ( -9.079 -0.834 0.634) 9.139 5.170 ( -1.991 2.617 7.904) 8.561 5.247 ( -11.925 2.386 0.694) 12.181 5.275 ( -10.803 1.344 2.811) 11.243 5.315 ( -1.418 -7.128 3.993) 8.293 5.467 ( -0.102 3.716 1.162) 3.895 5.593 ( -4.203 3.997 -3.440) 6.743 5.640 ( 3.136 2.768 -2.043) 4.656 5.684 ( -1.220 -11.986 1.088) 12.097 5.737 ( -4.660 -5.998 -6.261) 9.844 5.791 ( -1.049 -6.223 -5.979) 8.694 6.004 ( 0.668 7.190 5.978) 9.374 6.043 ( -0.618 0.303 6.888) 6.923 6.187 ( 3.726 4.719 -4.446) 7.478 6.236 ( 6.252 2.248 -1.260) 6.763 6.303 ( 4.037 -0.864 -1.172) 4.291 6.356 ( 5.721 -5.554 0.963) 8.031 6.421 ( 1.095 5.826 -3.306) 6.788 6.500 ( -0.261 -3.973 -5.737) 6.983 6.618 ( -5.788 -3.935 -1.808) 7.228 6.630 ( -8.458 -4.665 -6.998) 11.927 6.723 ( 6.581 3.210 5.222) 8.994 6.843 ( 2.923 -4.096 4.613) 6.826 6.876 ( 3.975 0.840 5.659) 6.966 6.988 ( 1.787 -4.872 4.027) 6.568 7.173 ( -5.038 4.376 -5.584) 8.702 7.300 ( 4.791 -3.422 -1.166) 6.002 7.348 ( -1.639 -0.795 4.073) 4.462 7.385 ( -4.071 -6.069 -3.167) 7.964 7.521 ( 7.413 2.370 0.919) 7.836 7.548 ( 9.634 1.030 -5.340) 11.063 7.710 ( 13.766 3.409 4.003) 14.736 7.745 ( 3.177 3.104 -3.294) 5.530 7.807 ( 6.670 -3.365 0.888) 7.524 7.831 ( -0.491 -0.711 -0.194) 0.885 7.983 ( 4.372 -1.128 0.621) 4.557 8.065 ( 3.283 -3.964 -1.726) 5.429 8.174 ( 4.716 1.506 -0.074) 4.951 8.254 ( 1.474 -4.994 -1.955) 5.562 8.408 ( -3.743 0.909 -1.682) 4.203 8.419 ( -6.245 0.941 0.926) 6.383 8.483 ( 4.597 2.114 -0.390) 5.075 8.553 ( 4.738 -3.436 -3.148) 6.645 8.681 ( -1.131 4.518 -0.718) 4.713 8.784 ( -0.952 -4.553 -2.267) 5.175 8.879 ( -4.680 5.202 -1.131) 7.088 8.959 ( -2.424 -0.947 5.920) 6.467 9.025 ( -1.356 -1.882 4.073) 4.687 9.034 ( 1.762 -1.092 -0.068) 2.074 9.119 ( -0.575 -0.600 2.867) 2.985 9.173 ( 1.496 -4.808 0.895) 5.114 9.494 ( 4.735 1.444 -3.019) 5.798 9.530 ( -0.088 -2.216 -3.489) 4.134 9.677 ( 4.648 3.318 2.333) 6.169 9.742 ( 3.135 -3.316 2.276) 5.099 9.897 ( 5.111 3.730 5.688) 8.508 9.981 ( 4.876 -4.329 3.716) 7.505 10.100 ( -5.011 2.123 -0.159) 5.444 10.119 ( -6.468 0.565 -0.883) 6.553 10.229 ( 6.281 4.982 1.978) 8.257 10.319 ( 0.955 -3.464 0.856) 3.693 10.415 ( -3.836 2.805 1.653) 5.031 10.475 ( -6.111 -3.175 3.020) 7.520 10.572 ( -1.669 5.466 -1.400) 5.884 10.666 ( 0.001 -3.979 1.305) 4.188 10.835 ( 4.048 6.699 -2.319) 8.163 10.952 ( 7.100 -3.980 -2.921) 8.648 11.092 ( 0.934 3.527 -0.546) 3.689 11.169 ( 0.340 -1.308 -9.128) 9.227 11.184 ( 6.359 1.494 -0.391) 6.543 11.252 ( -0.228 -1.429 -3.093) 3.414 11.435 ( -1.318 1.480 2.206) 2.965 11.529 ( 1.272 -8.039 -1.069) 8.209 11.646 ( 0.659 2.706 -0.220) 2.794 11.725 ( 2.541 -4.349 -2.602) 5.670 11.950 ( 1.058 3.455 3.906) 5.321 12.021 ( 1.848 -3.511 2.479) 4.678 12.516 ( 16.211 8.660 6.013) 19.338 12.588 ( 0.770 1.722 -3.513) 3.987 12.613 ( 1.309 -0.913 -2.482) 2.951 12.643 ( 14.888 -3.766 6.451) 16.657 12.826 ( 1.310 4.928 -7.301) 8.905 12.929 ( 0.554 -4.995 -3.513) 6.132 13.351 ( 0.999 1.873 -3.841) 4.389 13.393 ( -1.046 -1.638 -5.530) 5.862 13.650 ( -10.502 -0.620 0.206) 10.522 13.666 ( -11.591 -1.528 -1.077) 11.741 14.025 ( -3.434 4.036 -0.091) 5.300 14.110 ( -3.764 -4.309 -1.854) 6.014 14.322 ( -10.522 1.371 2.878) 10.994 14.376 ( -9.563 -3.962 2.327) 10.610 14.639 ( -9.543 2.661 -2.218) 10.153 14.703 ( -4.444 -2.741 0.577) 5.253 14.722 ( -8.102 3.638 -3.228) 9.450 14.789 ( -4.313 -2.258 -2.150) 5.322 14.978 ( -5.366 2.115 2.407) 6.250 15.019 ( -4.268 -1.099 0.443) 4.429 15.203 ( -4.577 2.503 4.957) 7.196 15.236 ( -4.897 -1.661 5.235) 7.359 15.636 ( -1.198 5.467 0.894) 5.668 15.725 ( 1.169 0.993 1.382) 2.065 15.874 ( -1.464 -1.801 1.710) 2.883 15.967 ( 1.064 -6.989 -1.197) 7.170 16.319 ( -2.702 5.156 -2.525) 6.346 16.393 ( 1.204 -2.993 -1.678) 3.637 16.588 ( -7.731 3.762 0.232) 8.601 16.714 ( -7.615 -7.006 0.205) 10.350 17.085 ( -5.170 4.420 -0.647) 6.833 17.137 ( -4.181 -0.467 -0.159) 4.210 18.199 ( 4.016 1.052 -0.218) 4.158 18.228 ( 2.312 -1.639 -1.005) 3.007 18.332 ( 4.552 4.051 0.958) 6.168 18.444 ( 4.977 -7.233 2.563) 9.146 19.028 ( 9.015 2.950 0.658) 9.508 19.081 ( 8.974 -2.287 -0.058) 9.261 19.262 ( 6.410 -0.235 -1.069) 6.502 19.276 ( 3.776 -1.917 -2.628) 4.984 25.018 ( -1.327 5.953 1.249) 6.225 25.164 ( -3.644 -7.445 1.231) 8.380 25.201 ( -3.792 4.682 -1.902) 6.318 25.386 ( -7.361 -12.982 -3.107) 15.243 26.848 ( -0.956 3.305 -1.288) 3.674 26.888 ( -1.951 -0.329 -1.156) 2.291 26.985 ( 1.642 1.000 -1.300) 2.321 27.010 ( 0.717 -1.327 -0.801) 1.708 28.042 ( -1.591 4.149 2.052) 4.895 28.081 ( -1.580 -1.136 4.436) 4.844 28.167 ( 0.403 7.298 4.466) 8.565 28.202 ( -2.627 6.290 -2.514) 7.266 28.368 ( -5.664 -0.385 1.089) 5.781 28.414 ( -1.177 -5.324 6.364) 8.380 28.824 ( -3.022 3.161 -3.141) 5.385 28.873 ( -6.070 -1.168 0.127) 6.183 29.091 ( -11.129 1.947 -2.552) 11.583 29.120 ( -11.326 -1.139 -3.062) 11.788 29.538 ( 11.799 6.496 1.758) 13.583 29.646 ( 10.138 -3.416 -4.934) 11.781 29.742 ( 6.579 0.742 -5.312) 8.488 29.812 ( 5.357 -4.844 -11.220) 13.344 30.228 ( 10.936 0.919 5.505) 12.278 30.263 ( 10.556 -2.175 5.287) 12.005 30.629 ( 3.127 4.824 6.899) 8.981 30.733 ( 2.667 -5.541 7.832) 9.958 30.858 ( -4.633 4.247 -4.045) 7.474 30.968 ( -3.333 -6.704 -1.730) 7.684 ======================= Grid point 55 (33/54) ======================= q-point: (-0.14 0.40 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 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 Number of triplets: 88 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.302 ( -10.217 20.168 1.611) 22.666 1.690 ( 1.318 -15.692 -8.355) 17.827 1.832 ( -18.231 20.729 9.142) 29.080 2.227 ( -9.113 -15.387 1.205) 17.924 2.573 ( -1.396 5.750 6.324) 8.660 2.613 ( -1.124 3.502 9.806) 10.473 2.702 ( 3.634 2.357 4.858) 6.509 2.806 ( -7.579 -3.786 12.508) 15.107 2.909 ( -1.068 9.317 1.998) 9.589 2.970 ( -7.254 -0.944 4.994) 8.857 3.031 ( 1.194 13.234 -0.576) 13.300 3.251 ( 4.700 -1.061 -5.350) 7.200 3.308 ( 0.266 16.211 -4.591) 16.850 3.421 ( -4.208 7.404 4.010) 9.413 3.533 ( -1.153 6.203 -5.809) 8.576 3.650 ( -3.304 7.709 3.125) 8.951 3.684 ( -0.615 -8.048 -14.518) 16.610 3.758 ( -1.060 7.158 -3.449) 8.016 3.829 ( -0.102 -1.392 -2.876) 3.196 3.878 ( 2.089 -2.048 -1.392) 3.240 4.000 ( 0.952 0.952 2.551) 2.884 4.040 ( -1.472 -1.535 -3.067) 3.732 4.176 ( -6.928 -3.025 -6.031) 9.670 4.274 ( -2.403 4.213 0.579) 4.885 4.323 ( -11.546 -8.863 -3.976) 15.089 4.377 ( -6.125 -1.962 9.215) 11.237 4.437 ( 0.171 1.967 -0.791) 2.126 4.502 ( 1.900 -5.609 -5.196) 7.878 4.529 ( -2.712 4.906 3.813) 6.780 4.638 ( -2.379 -8.496 2.846) 9.270 4.713 ( -0.356 2.623 4.145) 4.918 4.806 ( -9.512 -0.329 3.640) 10.190 4.852 ( -9.150 -1.396 -0.316) 9.262 4.900 ( 1.286 -6.564 -1.931) 6.962 5.012 ( -0.603 2.166 5.576) 6.012 5.037 ( 4.738 1.472 0.305) 4.970 5.090 ( 1.165 2.022 7.400) 7.759 5.150 ( -0.653 -3.099 3.729) 4.892 5.250 ( 1.840 6.339 1.218) 6.712 5.307 ( 0.674 0.604 0.943) 1.307 5.451 ( 4.441 2.301 7.440) 8.965 5.527 ( -7.804 4.514 -3.720) 9.752 5.582 ( 1.761 -3.761 1.055) 4.284 5.645 ( -4.227 -5.331 3.383) 7.598 5.737 ( -0.140 -0.076 -5.608) 5.610 5.798 ( 4.058 -5.357 -2.945) 7.337 6.085 ( 2.701 7.896 -2.228) 8.637 6.134 ( 6.304 3.345 0.177) 7.139 6.210 ( -3.809 7.381 -13.535) 15.881 6.231 ( -1.459 4.066 -12.799) 13.508 6.350 ( 1.457 2.419 0.940) 2.976 6.388 ( 3.833 3.521 -4.432) 6.836 6.508 ( 3.933 -1.960 -1.536) 4.655 6.523 ( 4.404 -4.333 -4.664) 7.741 6.608 ( 4.677 -6.460 -4.782) 9.299 6.621 ( 3.409 -11.920 2.639) 12.675 6.860 ( 2.784 1.250 5.066) 5.914 6.901 ( 1.209 4.889 1.628) 5.293 6.942 ( 4.220 -5.685 5.130) 8.743 7.019 ( 0.043 -4.587 1.720) 4.899 7.150 ( 4.297 -0.165 -1.856) 4.684 7.213 ( -3.186 -5.346 1.994) 6.535 7.376 ( 3.508 -2.300 -3.309) 5.342 7.406 ( 2.506 -4.552 1.682) 5.462 7.585 ( -3.700 2.678 -7.909) 9.133 7.641 ( -5.174 -1.425 -9.871) 11.236 7.763 ( 4.238 4.468 0.895) 6.223 7.837 ( 5.471 -2.662 -0.453) 6.102 7.896 ( 1.369 3.618 0.029) 3.868 7.924 ( 3.319 1.035 1.008) 3.620 8.035 ( 0.273 2.712 1.188) 2.974 8.143 ( 2.332 -4.631 2.567) 5.785 8.217 ( -1.573 0.595 3.194) 3.610 8.242 ( -4.561 -2.018 5.899) 7.725 8.308 ( -1.749 -1.472 -1.572) 2.775 8.347 ( -2.277 -4.972 -3.859) 6.693 8.570 ( 0.200 1.249 4.348) 4.529 8.586 ( -2.900 0.117 -1.820) 3.426 8.669 ( 1.864 2.178 0.367) 2.890 8.737 ( 4.741 -4.124 1.603) 6.485 8.804 ( -2.354 5.382 0.464) 5.893 8.905 ( -3.145 -3.966 0.833) 5.129 9.039 ( 1.591 3.095 3.681) 5.066 9.073 ( 1.237 3.078 1.938) 3.842 9.130 ( 1.436 -3.491 10.552) 11.207 9.208 ( 1.847 -7.054 3.542) 8.106 9.488 ( -4.494 1.299 -0.076) 4.678 9.541 ( -0.739 -2.538 -0.771) 2.753 9.789 ( 2.547 3.576 -3.428) 5.570 9.804 ( 4.111 1.640 -2.981) 5.336 9.990 ( -2.792 1.524 0.909) 3.308 10.036 ( 5.744 -1.908 2.401) 6.512 10.066 ( 5.499 4.375 4.405) 8.294 10.130 ( 5.754 -2.835 1.577) 6.606 10.283 ( -2.798 0.663 -0.977) 3.037 10.299 ( -6.388 -1.026 0.026) 6.470 10.397 ( 7.695 1.563 1.585) 8.010 10.439 ( 4.494 -2.763 2.847) 5.994 10.581 ( 1.293 5.898 -1.434) 6.206 10.661 ( -1.071 -2.019 -0.977) 2.485 10.853 ( -0.255 3.445 -0.085) 3.455 10.940 ( -6.833 -3.711 -0.121) 7.777 11.135 ( 3.892 3.753 -2.473) 5.945 11.191 ( 1.176 -1.263 -0.793) 1.900 11.326 ( 4.670 4.110 3.247) 7.018 11.397 ( 11.928 1.455 -4.375) 12.788 11.449 ( 2.968 -2.559 2.091) 4.442 11.545 ( 1.063 -8.106 0.361) 8.183 11.695 ( 4.311 2.449 -3.638) 6.150 11.780 ( 4.068 -5.123 -3.748) 7.539 11.999 ( 3.663 4.210 4.340) 7.070 12.087 ( 4.249 -4.727 2.347) 6.776 12.611 ( 2.284 3.018 -4.518) 5.894 12.660 ( 3.036 -1.383 -5.898) 6.776 12.690 ( 0.810 7.031 -0.636) 7.106 12.788 ( -1.273 -2.025 -6.588) 7.009 12.944 ( 1.883 1.959 1.859) 3.292 12.984 ( 6.004 -0.920 -1.425) 6.239 13.254 ( -8.887 1.380 -8.028) 12.056 13.317 ( -7.453 -3.799 -5.742) 10.147 13.426 ( -5.931 3.422 4.331) 8.102 13.507 ( 1.149 -3.763 4.906) 6.289 13.933 ( -6.934 0.036 -1.752) 7.152 13.977 ( -8.547 -3.808 -2.134) 9.597 14.151 ( -7.074 2.991 3.240) 8.336 14.223 ( -6.013 -3.497 4.161) 8.106 14.426 ( -9.041 8.674 0.769) 12.553 14.576 ( -4.423 -4.879 0.172) 6.587 14.713 ( 4.205 3.311 -1.165) 5.478 14.776 ( 3.151 -2.410 -1.975) 4.431 14.878 ( -5.144 3.347 0.036) 6.137 14.940 ( -3.455 -1.222 -0.345) 3.681 15.086 ( -6.821 2.267 0.713) 7.223 15.128 ( -6.941 -3.113 1.878) 7.835 15.584 ( -2.522 7.077 -0.651) 7.541 15.718 ( -1.603 -0.432 0.705) 1.803 15.853 ( 0.108 -0.148 -0.867) 0.886 15.994 ( 1.401 -8.530 1.560) 8.784 16.243 ( -5.613 8.898 -2.086) 10.725 16.405 ( -1.914 -6.127 0.189) 6.422 16.473 ( -2.661 0.794 1.085) 2.981 16.547 ( -8.415 -6.115 0.811) 10.434 16.962 ( -6.450 3.692 1.765) 7.639 17.004 ( -8.332 -0.557 2.337) 8.671 18.266 ( 2.207 0.131 0.731) 2.329 18.268 ( 1.555 -0.017 0.336) 1.591 18.425 ( 4.391 2.240 0.615) 4.968 18.518 ( 2.079 -7.789 3.180) 8.666 19.191 ( 6.694 2.415 1.852) 7.353 19.239 ( 6.425 -2.329 0.953) 6.900 19.380 ( 6.215 1.184 -2.471) 6.793 19.401 ( 6.776 -0.952 -1.851) 7.089 25.004 ( 0.023 3.774 0.856) 3.870 25.088 ( -3.793 -4.639 1.154) 6.103 25.130 ( -2.844 3.159 -1.549) 4.524 25.222 ( -8.296 -6.220 -1.884) 10.539 26.832 ( -0.471 1.118 -1.060) 1.611 26.855 ( -1.241 -0.856 -1.265) 1.968 27.007 ( 0.391 0.847 -0.003) 0.933 27.032 ( 1.690 -1.411 -2.376) 3.239 28.019 ( -0.873 3.613 1.439) 3.986 28.044 ( -2.263 0.140 3.577) 4.235 28.118 ( -2.576 4.766 -0.377) 5.430 28.171 ( -3.016 0.602 -0.519) 3.119 28.303 ( -0.311 4.269 5.382) 6.877 28.409 ( 0.054 -5.212 6.846) 8.605 28.747 ( -3.765 1.779 -0.434) 4.186 28.788 ( -3.175 -1.322 0.165) 3.444 28.895 ( -7.589 2.385 -2.689) 8.397 28.926 ( -7.264 -0.622 -2.889) 7.842 29.766 ( 5.437 6.481 -13.520) 15.949 29.814 ( 13.166 3.791 -0.542) 13.712 29.904 ( 5.772 -3.060 -12.167) 13.810 29.966 ( 11.189 -5.448 -5.717) 13.695 30.351 ( 3.031 1.286 2.029) 3.867 30.384 ( 3.039 -2.025 2.747) 4.570 30.617 ( -7.252 1.730 0.722) 7.491 30.649 ( -10.074 -1.479 -1.255) 10.259 30.909 ( 7.236 2.434 10.673) 13.122 31.014 ( 8.374 -8.119 11.277) 16.224 ======================= Grid point 70 (34/54) ======================= 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 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 Number of triplets: 54 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.472 ( -3.099 0.000 31.262) 31.415 1.492 ( 5.779 0.000 33.519) 34.013 1.791 ( 14.178 0.000 4.572) 14.897 2.045 ( -12.079 0.000 -12.771) 17.578 2.095 ( 0.063 0.000 -13.671) 13.671 2.224 ( -2.630 0.000 -17.368) 17.566 2.663 ( 5.201 0.000 22.689) 23.277 2.680 ( -8.567 0.000 5.139) 9.990 2.703 ( 1.730 0.000 1.036) 2.016 2.790 ( 1.284 0.000 3.509) 3.736 2.850 ( 10.695 0.000 -2.512) 10.986 2.925 ( -5.438 0.000 -10.088) 11.460 3.130 ( 2.891 0.000 3.177) 4.296 3.303 ( -0.167 0.000 -8.491) 8.492 3.313 ( -5.631 0.000 17.758) 18.630 3.633 ( 3.009 0.000 -3.638) 4.721 3.705 ( 3.011 0.000 5.284) 6.082 3.780 ( -10.269 0.000 3.639) 10.895 3.808 ( -3.035 0.000 -2.951) 4.233 3.816 ( -3.450 0.000 -0.341) 3.467 3.820 ( 8.845 0.000 1.982) 9.064 4.078 ( -8.902 0.000 -3.704) 9.642 4.117 ( 7.346 0.000 -6.325) 9.694 4.139 ( 0.020 0.000 -27.676) 27.676 4.252 ( -2.008 0.000 5.516) 5.870 4.349 ( 3.416 0.000 -3.698) 5.034 4.432 ( 6.248 0.000 2.925) 6.899 4.477 ( -5.064 0.000 8.113) 9.564 4.576 ( 3.728 0.000 1.284) 3.943 4.629 ( -2.020 0.000 -6.447) 6.756 4.759 ( -15.708 0.000 0.818) 15.729 4.774 ( 7.211 0.000 -1.352) 7.337 4.949 ( 2.585 0.000 0.668) 2.670 4.998 ( -5.037 0.000 7.747) 9.241 5.056 ( 4.651 0.000 -5.439) 7.157 5.070 ( -0.239 0.000 4.371) 4.377 5.134 ( -7.373 0.000 13.888) 15.724 5.234 ( 4.752 0.000 0.208) 4.757 5.246 ( 2.000 0.000 6.790) 7.079 5.306 ( 13.107 0.000 -1.731) 13.220 5.323 ( -2.876 0.000 -5.627) 6.319 5.516 ( -1.559 0.000 -10.883) 10.994 5.561 ( 2.990 0.000 0.465) 3.026 5.588 ( 4.002 0.000 -0.420) 4.024 5.637 ( -8.183 0.000 -2.871) 8.671 5.640 ( -7.701 0.000 -2.270) 8.029 5.837 ( 5.432 0.000 -2.352) 5.920 5.915 ( -4.290 0.000 -7.205) 8.385 6.068 ( -2.041 0.000 1.742) 2.683 6.075 ( 6.665 0.000 0.360) 6.674 6.230 ( 0.939 0.000 4.639) 4.733 6.300 ( -0.644 0.000 -1.925) 2.030 6.667 ( -0.584 0.000 6.312) 6.339 6.711 ( 9.994 0.000 4.936) 11.147 6.776 ( -7.105 0.000 -1.585) 7.279 6.822 ( -3.443 0.000 -4.648) 5.785 6.973 ( -1.300 0.000 3.712) 3.933 7.064 ( 4.934 0.000 2.433) 5.502 7.124 ( 5.847 0.000 -11.120) 12.564 7.166 ( -7.121 0.000 -7.674) 10.469 7.229 ( -4.274 0.000 1.426) 4.505 7.295 ( -2.980 0.000 -4.739) 5.598 7.341 ( -2.268 0.000 4.694) 5.213 7.419 ( 6.436 0.000 -4.214) 7.693 7.567 ( 4.786 0.000 5.197) 7.065 7.682 ( -7.568 0.000 -5.836) 9.557 7.690 ( 2.334 0.000 4.768) 5.309 7.771 ( -1.450 0.000 -3.874) 4.136 7.953 ( 6.732 0.000 2.498) 7.180 7.954 ( -5.739 0.000 1.705) 5.987 8.128 ( 2.644 0.000 0.692) 2.733 8.154 ( -3.412 0.000 -0.706) 3.484 8.255 ( -1.559 0.000 0.910) 1.805 8.264 ( -1.535 0.000 0.827) 1.743 8.460 ( -3.454 0.000 6.253) 7.143 8.517 ( -0.383 0.000 1.722) 1.764 8.564 ( 4.180 0.000 -1.181) 4.344 8.603 ( 2.160 0.000 -5.668) 6.065 8.648 ( -1.169 0.000 2.210) 2.500 8.674 ( 1.765 0.000 0.187) 1.775 8.829 ( -0.521 0.000 4.624) 4.653 8.902 ( -4.027 0.000 -2.077) 4.531 9.069 ( 7.927 0.000 1.826) 8.135 9.118 ( -2.426 0.000 -2.989) 3.850 9.402 ( -0.346 0.000 2.625) 2.647 9.445 ( -0.728 0.000 -0.246) 0.768 9.513 ( -3.642 0.000 0.335) 3.657 9.544 ( 4.304 0.000 -0.143) 4.306 9.649 ( -2.353 0.000 2.888) 3.725 9.775 ( -1.532 0.000 -7.907) 8.054 9.914 ( 0.672 0.000 2.089) 2.194 9.948 ( 4.099 0.000 4.802) 6.314 9.957 ( -0.852 0.000 -2.535) 2.675 10.016 ( -3.043 0.000 -2.155) 3.729 10.425 ( -3.225 0.000 2.882) 4.326 10.438 ( 5.287 0.000 1.845) 5.600 10.441 ( 3.336 0.000 3.339) 4.720 10.491 ( -1.686 0.000 -1.574) 2.307 10.538 ( 1.537 0.000 0.573) 1.640 10.540 ( -1.419 0.000 -0.444) 1.486 10.762 ( -7.552 0.000 0.376) 7.562 10.849 ( 7.633 0.000 -6.657) 10.129 11.198 ( -4.170 0.000 6.522) 7.742 11.248 ( -0.208 0.000 2.228) 2.237 11.459 ( 5.356 0.000 -1.508) 5.564 11.508 ( -4.287 0.000 -5.422) 6.912 11.707 ( -1.982 0.000 2.785) 3.418 11.778 ( 3.216 0.000 -4.470) 5.507 11.831 ( 4.333 0.000 4.301) 6.105 11.893 ( -2.764 0.000 -1.463) 3.127 12.214 ( 2.529 0.000 8.420) 8.791 12.426 ( -2.399 0.000 -12.643) 12.869 12.476 ( 0.840 0.000 4.040) 4.126 12.567 ( -1.942 0.000 1.452) 2.425 12.568 ( -3.629 0.000 -4.847) 6.055 12.608 ( -0.335 0.000 -2.746) 2.766 13.092 ( 10.532 0.000 1.011) 10.581 13.098 ( -17.413 0.000 0.535) 17.422 13.157 ( 31.119 0.000 -0.248) 31.120 13.160 ( -11.602 0.000 -0.698) 11.623 13.417 ( 8.126 0.000 4.419) 9.250 13.512 ( -4.626 0.000 -5.296) 7.032 13.846 ( 3.777 0.000 0.622) 3.828 13.872 ( -2.803 0.000 -1.769) 3.314 14.078 ( 4.241 0.000 0.552) 4.276 14.099 ( -6.277 0.000 -1.757) 6.518 14.355 ( 2.184 0.000 5.666) 6.072 14.461 ( -0.545 0.000 -4.736) 4.768 14.572 ( -17.816 0.000 3.229) 18.106 14.631 ( 21.745 0.000 -2.648) 21.906 14.902 ( 1.757 0.000 0.999) 2.021 14.920 ( -2.438 0.000 -0.960) 2.620 15.004 ( 11.347 0.000 3.966) 12.020 15.070 ( -11.693 0.000 -2.640) 11.987 15.402 ( -1.095 0.000 4.744) 4.869 15.474 ( 0.903 0.000 -1.984) 2.180 16.110 ( -5.302 0.000 3.833) 6.542 16.118 ( 4.962 0.000 1.961) 5.335 16.197 ( -0.945 0.000 -2.378) 2.559 16.247 ( 0.497 0.000 -5.943) 5.964 16.513 ( -2.921 0.000 3.060) 4.230 16.590 ( 2.779 0.000 -4.454) 5.250 16.888 ( -0.129 0.000 2.885) 2.888 16.896 ( -2.385 0.000 2.041) 3.139 18.292 ( -0.318 0.000 0.713) 0.781 18.295 ( 0.369 0.000 0.330) 0.495 18.605 ( 9.233 0.000 3.353) 9.823 18.682 ( -15.970 0.000 -4.363) 16.555 19.261 ( -0.074 0.000 3.748) 3.748 19.337 ( 0.159 0.000 -3.828) 3.831 19.441 ( 0.871 0.000 1.140) 1.434 19.467 ( -0.308 0.000 -1.411) 1.444 25.022 ( 3.215 0.000 1.739) 3.655 25.058 ( -3.706 0.000 -1.885) 4.158 25.071 ( -3.336 0.000 1.724) 3.755 25.105 ( 3.926 0.000 -1.709) 4.281 26.853 ( 0.194 0.000 -0.130) 0.233 26.867 ( 1.037 0.000 -1.733) 2.019 27.007 ( -1.533 0.000 1.554) 2.183 27.027 ( 1.253 0.000 -0.499) 1.349 27.781 ( -0.238 0.000 0.264) 0.356 27.786 ( 0.211 0.000 -0.233) 0.315 28.062 ( -0.729 0.000 0.984) 1.224 28.084 ( -0.138 0.000 -1.156) 1.164 28.432 ( 1.561 0.000 8.835) 8.972 28.551 ( -2.347 0.000 -3.559) 4.264 28.613 ( 0.476 0.000 4.145) 4.172 28.716 ( 0.473 0.000 -5.876) 5.895 28.753 ( 0.781 0.000 1.756) 1.922 28.793 ( 0.940 0.000 -2.250) 2.439 29.544 ( -2.565 0.000 6.490) 6.979 29.733 ( 0.309 0.000 -13.289) 13.293 29.999 ( -3.050 0.000 7.680) 8.264 30.135 ( 3.448 0.000 -5.910) 6.842 30.393 ( 2.566 0.000 1.428) 2.937 30.423 ( -3.935 0.000 -1.565) 4.235 30.460 ( -1.928 0.000 -0.299) 1.951 30.465 ( 2.141 0.000 -0.627) 2.231 31.344 ( -2.799 0.000 19.461) 19.661 31.681 ( 4.465 0.000 -15.132) 15.777 ======================= Grid point 71 (35/54) ======================= q-point: ( 0.14 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 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 Number of triplets: 54 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.566 ( 12.460 0.000 22.453) 25.679 1.664 ( 8.597 0.000 23.628) 25.143 1.925 ( -0.278 0.000 -6.414) 6.420 2.110 ( -2.348 0.000 -6.796) 7.190 2.151 ( 7.625 0.000 -9.977) 12.557 2.263 ( 21.667 0.000 -10.295) 23.988 2.552 ( -9.588 0.000 -0.316) 9.593 2.646 ( -5.975 0.000 11.428) 12.896 2.809 ( -11.288 0.000 -8.102) 13.895 2.827 ( 9.363 0.000 -0.298) 9.368 2.977 ( 12.531 0.000 7.667) 14.690 3.067 ( 0.409 0.000 7.774) 7.785 3.149 ( 3.085 0.000 -5.336) 6.164 3.190 ( 12.820 0.000 -13.157) 18.370 3.256 ( 5.132 0.000 29.048) 29.498 3.487 ( -16.672 0.000 -11.468) 20.235 3.673 ( -3.555 0.000 1.661) 3.924 3.723 ( -0.483 0.000 -6.122) 6.142 3.863 ( 11.944 0.000 -5.534) 13.164 3.947 ( 10.805 0.000 9.431) 14.342 4.086 ( 1.449 0.000 1.081) 1.808 4.116 ( 14.059 0.000 5.102) 14.957 4.213 ( 3.917 0.000 -3.266) 5.100 4.264 ( -3.667 0.000 -4.899) 6.119 4.297 ( 3.342 0.000 0.687) 3.412 4.310 ( 7.461 0.000 1.371) 7.586 4.375 ( -6.533 0.000 -1.105) 6.626 4.412 ( -1.176 0.000 -3.700) 3.883 4.568 ( -0.779 0.000 1.895) 2.049 4.579 ( 3.754 0.000 -18.890) 19.260 4.704 ( 4.880 0.000 1.109) 5.005 4.744 ( -6.362 0.000 8.988) 11.012 4.949 ( -3.952 0.000 7.674) 8.632 4.949 ( -2.820 0.000 9.597) 10.003 5.037 ( -8.608 0.000 -9.537) 12.847 5.065 ( -0.948 0.000 10.665) 10.708 5.092 ( 2.112 0.000 0.865) 2.282 5.255 ( 4.941 0.000 -10.239) 11.369 5.380 ( 4.943 0.000 -2.288) 5.447 5.407 ( 11.152 0.000 9.138) 14.418 5.458 ( -4.357 0.000 0.350) 4.371 5.498 ( -0.854 0.000 1.768) 1.963 5.564 ( 2.526 0.000 -6.566) 7.035 5.618 ( 8.766 0.000 -7.351) 11.440 5.650 ( 15.099 0.000 5.903) 16.212 5.721 ( 9.073 0.000 -1.689) 9.229 5.846 ( -9.078 0.000 -7.357) 11.685 5.905 ( -1.106 0.000 0.391) 1.173 6.018 ( 1.923 0.000 -3.401) 3.907 6.163 ( 3.772 0.000 2.163) 4.348 6.273 ( -2.583 0.000 0.342) 2.606 6.308 ( 6.456 0.000 1.275) 6.581 6.592 ( -10.790 0.000 6.652) 12.675 6.677 ( -2.037 0.000 -4.600) 5.031 6.699 ( -3.727 0.000 0.554) 3.768 6.816 ( -3.154 0.000 -4.638) 5.609 6.840 ( -5.575 0.000 0.001) 5.575 7.001 ( -7.324 0.000 -6.220) 9.609 7.086 ( -3.058 0.000 8.221) 8.772 7.130 ( -6.163 0.000 0.794) 6.214 7.252 ( 0.564 0.000 2.533) 2.595 7.317 ( 3.398 0.000 -10.353) 10.896 7.384 ( 9.518 0.000 3.282) 10.068 7.474 ( -11.864 0.000 -5.457) 13.059 7.526 ( 3.114 0.000 -2.997) 4.322 7.623 ( 1.565 0.000 5.632) 5.845 7.721 ( -4.602 0.000 -2.800) 5.387 7.773 ( 3.718 0.000 4.258) 5.653 7.886 ( -1.226 0.000 -4.277) 4.449 7.976 ( -2.182 0.000 8.021) 8.313 8.066 ( -4.294 0.000 1.395) 4.515 8.191 ( -7.903 0.000 5.095) 9.403 8.210 ( 5.115 0.000 0.076) 5.116 8.250 ( -0.804 0.000 1.278) 1.510 8.402 ( -2.992 0.000 -0.895) 3.123 8.536 ( -0.257 0.000 2.479) 2.493 8.563 ( -2.558 0.000 1.121) 2.793 8.629 ( -1.040 0.000 -1.538) 1.857 8.645 ( 2.495 0.000 -5.274) 5.834 8.692 ( -1.596 0.000 -1.173) 1.981 8.825 ( 2.830 0.000 5.699) 6.363 8.840 ( -1.020 0.000 -2.653) 2.842 9.007 ( -7.521 0.000 -4.581) 8.806 9.170 ( 3.671 0.000 -0.161) 3.674 9.376 ( -6.578 0.000 1.843) 6.832 9.430 ( -5.476 0.000 2.063) 5.852 9.491 ( 2.042 0.000 2.883) 3.533 9.510 ( 4.480 0.000 2.051) 4.928 9.669 ( 1.357 0.000 5.354) 5.523 9.711 ( -5.847 0.000 -7.107) 9.203 9.914 ( -4.820 0.000 -2.893) 5.622 9.929 ( 2.115 0.000 5.068) 5.492 9.986 ( 2.487 0.000 -2.778) 3.729 10.050 ( 5.358 0.000 0.389) 5.372 10.360 ( -1.212 0.000 -0.663) 1.382 10.421 ( -5.331 0.000 0.576) 5.362 10.435 ( -2.210 0.000 -3.894) 4.477 10.449 ( -9.336 0.000 4.231) 10.250 10.526 ( 1.682 0.000 3.261) 3.669 10.639 ( 7.076 0.000 1.420) 7.217 10.796 ( 10.245 0.000 -4.932) 11.370 10.930 ( -1.681 0.000 -2.354) 2.893 11.018 ( -11.184 0.000 6.045) 12.714 11.107 ( -8.790 0.000 0.865) 8.832 11.363 ( -8.102 0.000 -4.853) 9.444 11.461 ( -4.430 0.000 0.634) 4.475 11.637 ( -5.157 0.000 3.330) 6.139 11.707 ( -12.266 0.000 -6.959) 14.103 11.841 ( 0.343 0.000 -3.758) 3.774 11.858 ( 0.845 0.000 4.115) 4.201 12.223 ( -3.147 0.000 8.792) 9.338 12.323 ( -6.557 0.000 -3.615) 7.488 12.438 ( -6.190 0.000 -3.597) 7.160 12.479 ( 0.615 0.000 2.065) 2.154 12.568 ( 0.497 0.000 2.101) 2.159 12.629 ( -1.110 0.000 -2.220) 2.482 12.919 ( -9.288 0.000 -2.688) 9.669 12.967 ( 3.373 0.000 3.889) 5.148 13.237 ( -12.159 0.000 -7.816) 14.454 13.431 ( 14.133 0.000 0.132) 14.134 13.554 ( 9.847 0.000 0.259) 9.851 13.582 ( 11.697 0.000 -5.899) 13.100 13.977 ( 0.470 0.000 4.368) 4.393 14.066 ( 13.752 0.000 -2.309) 13.945 14.130 ( -0.272 0.000 0.976) 1.013 14.287 ( -8.756 0.000 0.461) 8.768 14.326 ( 28.182 0.000 -6.313) 28.880 14.445 ( 7.812 0.000 2.908) 8.335 14.495 ( 3.576 0.000 -4.961) 6.115 14.773 ( -1.939 0.000 -1.178) 2.269 14.901 ( -4.638 0.000 -3.836) 6.019 14.962 ( 3.883 0.000 3.388) 5.153 15.224 ( 7.729 0.000 5.227) 9.331 15.267 ( 19.011 0.000 -13.118) 23.097 15.431 ( 5.585 0.000 4.197) 6.986 15.556 ( 13.494 0.000 -3.379) 13.911 15.998 ( -4.045 0.000 3.711) 5.489 16.147 ( -4.616 0.000 -1.378) 4.817 16.201 ( 0.182 0.000 -3.438) 3.443 16.309 ( 8.176 0.000 -0.994) 8.236 16.487 ( -0.242 0.000 2.603) 2.614 16.702 ( 9.066 0.000 -5.883) 10.807 16.887 ( 1.030 0.000 3.332) 3.488 16.909 ( 1.927 0.000 4.520) 4.914 18.266 ( -4.542 0.000 2.122) 5.013 18.288 ( -1.283 0.000 0.564) 1.402 18.355 ( -12.327 0.000 0.492) 12.336 18.701 ( -0.170 0.000 6.851) 6.853 19.177 ( -7.859 0.000 3.183) 8.479 19.238 ( -9.170 0.000 -3.218) 9.718 19.388 ( -6.923 0.000 -1.470) 7.078 19.404 ( -3.678 0.000 -0.130) 3.681 24.972 ( -1.569 0.000 2.557) 3.001 25.003 ( -0.575 0.000 -3.635) 3.681 25.244 ( 13.042 0.000 3.388) 13.475 25.366 ( 18.310 0.000 -6.568) 19.452 26.842 ( -1.013 0.000 -1.076) 1.478 26.863 ( -1.280 0.000 -2.560) 2.862 26.953 ( -3.843 0.000 2.185) 4.420 27.030 ( -1.075 0.000 -0.960) 1.441 27.773 ( -0.609 0.000 0.484) 0.778 27.795 ( 0.701 0.000 -0.069) 0.705 28.083 ( 2.380 0.000 2.544) 3.484 28.111 ( 2.339 0.000 -1.016) 2.550 28.431 ( -1.206 0.000 11.303) 11.367 28.529 ( 0.390 0.000 -5.249) 5.263 28.705 ( 8.413 0.000 -1.174) 8.495 28.728 ( 2.649 0.000 -4.972) 5.633 28.840 ( 6.625 0.000 3.076) 7.305 28.929 ( 11.096 0.000 -3.580) 11.660 29.461 ( -5.429 0.000 11.254) 12.495 29.701 ( -2.894 0.000 -10.834) 11.214 29.826 ( -11.273 0.000 6.838) 13.185 30.035 ( -11.498 0.000 -7.568) 13.765 30.336 ( -4.332 0.000 0.123) 4.334 30.424 ( 2.767 0.000 2.400) 3.663 30.542 ( 5.568 0.000 0.709) 5.613 30.599 ( 7.708 0.000 -2.449) 8.088 31.186 ( -12.707 0.000 15.854) 20.318 31.567 ( -12.689 0.000 -11.269) 16.971 ======================= Grid point 72 (36/54) ======================= q-point: ( 0.29 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 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 Number of triplets: 54 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.769 ( -0.022 0.000 9.507) 9.507 1.844 ( -1.256 0.000 2.852) 3.116 1.988 ( 18.054 0.000 19.071) 26.261 2.035 ( -5.660 0.000 -3.157) 6.481 2.356 ( 6.287 0.000 -3.794) 7.343 2.374 ( 4.039 0.000 -6.984) 8.068 2.530 ( 1.172 0.000 2.649) 2.897 2.620 ( -6.751 0.000 8.270) 10.675 2.656 ( 15.788 0.000 -8.126) 17.756 2.881 ( -1.869 0.000 -11.473) 11.624 2.963 ( -10.959 0.000 -16.237) 19.589 3.046 ( -3.221 0.000 4.501) 5.535 3.238 ( 7.570 0.000 6.185) 9.775 3.381 ( 1.287 0.000 -8.744) 8.838 3.405 ( -3.360 0.000 3.932) 5.172 3.650 ( 14.255 0.000 14.714) 20.487 3.657 ( 4.965 0.000 2.379) 5.506 3.714 ( 5.990 0.000 -12.700) 14.042 3.926 ( -2.636 0.000 4.752) 5.434 3.976 ( -5.067 0.000 -2.659) 5.722 4.044 ( 6.178 0.000 -2.637) 6.717 4.079 ( -9.346 0.000 -5.096) 10.645 4.242 ( 0.784 0.000 -1.578) 1.762 4.330 ( -4.919 0.000 -2.152) 5.369 4.388 ( 0.087 0.000 -5.062) 5.062 4.420 ( 10.025 0.000 7.772) 12.685 4.475 ( 7.428 0.000 -0.091) 7.429 4.489 ( 8.693 0.000 1.219) 8.778 4.627 ( 1.628 0.000 13.463) 13.561 4.705 ( -3.909 0.000 0.582) 3.952 4.734 ( 14.633 0.000 8.918) 17.137 4.813 ( 15.240 0.000 -11.366) 19.011 4.884 ( -0.877 0.000 0.168) 0.893 4.929 ( 0.088 0.000 7.537) 7.537 4.993 ( -2.516 0.000 11.428) 11.702 5.013 ( 9.872 0.000 -3.360) 10.428 5.198 ( 8.242 0.000 5.200) 9.745 5.288 ( -4.509 0.000 -7.989) 9.173 5.355 ( 3.450 0.000 -9.861) 10.448 5.455 ( -6.518 0.000 0.858) 6.574 5.522 ( -16.646 0.000 -7.396) 18.215 5.542 ( 2.938 0.000 -1.710) 3.399 5.592 ( 10.261 0.000 4.993) 11.412 5.749 ( 3.251 0.000 -8.495) 9.096 5.781 ( 16.363 0.000 8.413) 18.399 5.855 ( 0.162 0.000 4.181) 4.184 5.980 ( 14.446 0.000 -4.795) 15.221 6.034 ( 16.779 0.000 1.016) 16.809 6.116 ( 6.729 0.000 3.744) 7.700 6.220 ( -0.955 0.000 3.687) 3.808 6.228 ( -1.970 0.000 3.031) 3.615 6.303 ( -4.856 0.000 -2.072) 5.280 6.454 ( -3.064 0.000 0.953) 3.209 6.469 ( -16.046 0.000 -5.394) 16.928 6.664 ( -2.434 0.000 -5.127) 5.676 6.753 ( 2.494 0.000 -2.739) 3.704 6.813 ( 1.122 0.000 8.155) 8.232 6.935 ( -1.022 0.000 -6.328) 6.410 6.990 ( -6.097 0.000 3.987) 7.285 7.024 ( -5.227 0.000 5.922) 7.899 7.188 ( -5.904 0.000 1.030) 5.993 7.214 ( -13.150 0.000 -1.695) 13.259 7.342 ( -0.218 0.000 -9.770) 9.772 7.530 ( -4.834 0.000 -1.980) 5.224 7.540 ( 3.322 0.000 -1.692) 3.728 7.628 ( -2.104 0.000 5.795) 6.165 7.655 ( 0.652 0.000 -1.622) 1.748 7.743 ( -8.244 0.000 8.553) 11.879 7.850 ( -3.944 0.000 -5.858) 7.062 7.989 ( 1.901 0.000 5.429) 5.752 8.009 ( -0.389 0.000 2.720) 2.747 8.018 ( -6.174 0.000 0.831) 6.230 8.194 ( -4.851 0.000 2.263) 5.353 8.269 ( -0.023 0.000 0.611) 0.611 8.349 ( -0.182 0.000 -4.337) 4.341 8.467 ( -2.917 0.000 0.912) 3.056 8.541 ( -8.402 0.000 -6.402) 10.563 8.552 ( -2.825 0.000 -2.327) 3.660 8.599 ( 0.886 0.000 4.218) 4.310 8.711 ( -0.063 0.000 -2.270) 2.270 8.872 ( 3.429 0.000 -0.937) 3.555 8.874 ( -4.521 0.000 -1.084) 4.649 8.951 ( 7.637 0.000 -2.447) 8.019 9.255 ( -1.520 0.000 -3.533) 3.846 9.287 ( 3.738 0.000 8.172) 8.987 9.295 ( -5.458 0.000 5.043) 7.431 9.527 ( -10.843 0.000 -6.761) 12.778 9.577 ( 2.267 0.000 3.849) 4.467 9.603 ( 3.930 0.000 4.583) 6.038 9.681 ( 0.968 0.000 1.350) 1.662 9.838 ( -2.737 0.000 -3.939) 4.797 10.004 ( 4.353 0.000 4.777) 6.463 10.067 ( 4.554 0.000 -0.858) 4.634 10.119 ( 1.102 0.000 -3.076) 3.267 10.266 ( -6.783 0.000 6.590) 9.457 10.289 ( -6.346 0.000 0.289) 6.353 10.375 ( 1.879 0.000 -2.347) 3.006 10.383 ( -3.511 0.000 -3.971) 5.301 10.586 ( 4.162 0.000 -0.136) 4.164 10.732 ( 1.213 0.000 -2.614) 2.882 10.766 ( -8.446 0.000 5.751) 10.219 10.812 ( -6.328 0.000 2.881) 6.953 11.073 ( 14.103 0.000 -3.520) 14.536 11.076 ( 1.617 0.000 -5.031) 5.285 11.268 ( -0.400 0.000 -4.297) 4.315 11.367 ( -3.359 0.000 4.216) 5.390 11.437 ( -13.324 0.000 -7.026) 15.063 11.533 ( -5.117 0.000 5.298) 7.366 11.849 ( -3.083 0.000 3.501) 4.665 11.852 ( 0.984 0.000 -4.417) 4.525 12.091 ( -10.109 0.000 2.097) 10.324 12.136 ( -13.024 0.000 7.558) 15.058 12.347 ( -2.014 0.000 -10.708) 10.896 12.467 ( -4.912 0.000 0.376) 4.927 12.578 ( 2.156 0.000 -0.180) 2.164 12.603 ( -0.758 0.000 -1.869) 2.017 12.796 ( -2.740 0.000 7.454) 7.942 13.002 ( -2.329 0.000 -0.241) 2.341 13.166 ( 4.822 0.000 -4.295) 6.457 13.449 ( -7.504 0.000 -4.811) 8.914 13.777 ( 7.894 0.000 -0.906) 7.946 13.784 ( 11.621 0.000 -1.570) 11.726 14.009 ( -2.659 0.000 4.782) 5.472 14.079 ( -3.295 0.000 -2.004) 3.856 14.347 ( 14.620 0.000 -0.903) 14.648 14.411 ( 19.205 0.000 4.119) 19.642 14.583 ( 5.577 0.000 -2.117) 5.965 14.589 ( 7.446 0.000 5.310) 9.145 14.744 ( 9.668 0.000 -7.786) 12.414 14.769 ( 3.739 0.000 -4.035) 5.501 14.926 ( 8.667 0.000 -1.948) 8.883 15.053 ( 5.175 0.000 3.383) 6.182 15.246 ( -3.328 0.000 4.138) 5.311 15.341 ( -2.160 0.000 -4.855) 5.314 15.648 ( 13.600 0.000 5.760) 14.770 15.718 ( -5.624 0.000 8.966) 10.584 16.015 ( -7.886 0.000 -4.443) 9.051 16.075 ( 11.437 0.000 -13.631) 17.794 16.244 ( 4.542 0.000 -5.018) 6.768 16.389 ( -1.504 0.000 6.446) 6.619 16.568 ( 8.639 0.000 -0.967) 8.693 16.862 ( 2.931 0.000 -0.366) 2.954 16.935 ( 6.023 0.000 -5.811) 8.369 16.953 ( 1.992 0.000 5.803) 6.136 18.104 ( -5.708 0.000 1.860) 6.004 18.241 ( -3.653 0.000 1.216) 3.850 18.290 ( -0.395 0.000 -2.429) 2.461 18.594 ( -10.124 0.000 4.121) 10.930 19.001 ( -9.404 0.000 2.951) 9.856 19.035 ( -10.153 0.000 -3.042) 10.599 19.256 ( -5.191 0.000 0.739) 5.243 19.329 ( -3.394 0.000 -2.157) 4.022 24.968 ( 0.419 0.000 3.296) 3.322 25.011 ( 1.178 0.000 -4.463) 4.616 25.508 ( 12.649 0.000 6.492) 14.217 25.707 ( 15.366 0.000 -11.069) 18.938 26.826 ( -0.380 0.000 -1.150) 1.212 26.829 ( -1.719 0.000 -2.980) 3.441 26.870 ( -4.366 0.000 2.906) 5.245 26.988 ( -3.001 0.000 -1.546) 3.376 27.766 ( 0.024 0.000 1.004) 1.004 27.809 ( 0.530 0.000 0.103) 0.540 28.128 ( 1.590 0.000 3.119) 3.501 28.151 ( 1.476 0.000 -1.182) 1.891 28.423 ( 0.181 0.000 12.469) 12.470 28.565 ( 3.497 0.000 -7.395) 8.181 28.824 ( 7.229 0.000 -7.183) 10.191 28.897 ( 10.428 0.000 -1.888) 10.597 28.932 ( 0.420 0.000 9.317) 9.327 29.182 ( 14.010 0.000 -4.356) 14.672 29.429 ( 4.433 0.000 9.992) 10.931 29.616 ( -6.340 0.000 -5.198) 8.199 29.625 ( -9.210 0.000 4.032) 10.054 29.784 ( -11.329 0.000 -9.664) 14.891 30.226 ( -7.941 0.000 2.343) 8.280 30.445 ( -4.454 0.000 1.536) 4.711 30.585 ( -0.853 0.000 3.575) 3.676 30.709 ( 3.519 0.000 -4.962) 6.083 30.973 ( -6.006 0.000 10.468) 12.069 31.310 ( -11.085 0.000 -7.057) 13.140 ======================= Grid point 73 (37/54) ======================= q-point: ( 0.43 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 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 Number of triplets: 54 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.687 ( -7.819 0.000 12.778) 14.980 1.742 ( 2.018 0.000 0.782) 2.164 2.018 ( 4.313 0.000 -8.909) 9.898 2.158 ( -16.755 0.000 3.210) 17.059 2.382 ( 14.793 0.000 6.297) 16.078 2.585 ( 10.669 0.000 -3.506) 11.231 2.609 ( 4.204 0.000 2.563) 4.924 2.789 ( -2.712 0.000 -7.748) 8.209 2.797 ( 12.568 0.000 6.854) 14.316 2.887 ( -6.195 0.000 3.823) 7.279 2.931 ( 11.384 0.000 -8.574) 14.251 2.970 ( 9.648 0.000 -9.091) 13.256 3.169 ( -16.371 0.000 5.814) 17.373 3.213 ( -10.369 0.000 4.467) 11.291 3.346 ( -1.825 0.000 -12.642) 12.773 3.433 ( -14.248 0.000 -5.587) 15.304 3.793 ( 4.219 0.000 -4.864) 6.439 3.881 ( -0.867 0.000 -2.249) 2.410 3.930 ( 1.583 0.000 -1.365) 2.090 3.971 ( -0.472 0.000 0.029) 0.473 4.110 ( 1.861 0.000 -3.591) 4.044 4.148 ( -5.901 0.000 -0.555) 5.927 4.240 ( 15.485 0.000 -0.145) 15.486 4.339 ( 7.102 0.000 2.848) 7.652 4.434 ( -4.556 0.000 8.178) 9.361 4.453 ( 5.215 0.000 -4.785) 7.078 4.495 ( -1.617 0.000 0.709) 1.766 4.601 ( 8.553 0.000 0.488) 8.567 4.650 ( -5.185 0.000 9.517) 10.838 4.693 ( 1.471 0.000 5.973) 6.151 4.846 ( -2.871 0.000 4.126) 5.026 4.902 ( 6.815 0.000 -3.906) 7.855 4.970 ( -4.175 0.000 4.437) 6.092 4.991 ( -1.382 0.000 9.447) 9.547 5.141 ( -2.062 0.000 4.368) 4.830 5.252 ( 5.357 0.000 -14.531) 15.487 5.282 ( 14.610 0.000 0.359) 14.614 5.324 ( 8.989 0.000 0.284) 8.993 5.348 ( -6.553 0.000 1.162) 6.655 5.384 ( 1.168 0.000 -8.593) 8.672 5.406 ( 6.330 0.000 3.773) 7.369 5.571 ( 3.741 0.000 -9.081) 9.821 5.745 ( -1.002 0.000 14.522) 14.557 5.772 ( -0.016 0.000 -3.630) 3.630 5.836 ( -14.852 0.000 9.480) 17.619 5.921 ( 6.851 0.000 1.600) 7.036 6.042 ( -3.326 0.000 12.795) 13.220 6.079 ( -3.461 0.000 5.666) 6.639 6.201 ( -5.276 0.000 -5.732) 7.790 6.229 ( 4.946 0.000 -1.769) 5.253 6.269 ( 11.710 0.000 -14.072) 18.307 6.269 ( -0.122 0.000 -2.367) 2.370 6.454 ( 10.588 0.000 0.790) 10.618 6.556 ( 7.771 0.000 2.990) 8.326 6.646 ( 4.649 0.000 -7.531) 8.850 6.777 ( -6.680 0.000 4.588) 8.104 6.812 ( -3.245 0.000 2.466) 4.075 6.823 ( -0.583 0.000 -5.275) 5.308 6.919 ( -3.813 0.000 6.380) 7.433 7.010 ( 0.831 0.000 -2.690) 2.815 7.080 ( -0.829 0.000 2.953) 3.067 7.085 ( 2.441 0.000 7.912) 8.280 7.338 ( -10.629 0.000 -0.897) 10.667 7.353 ( 1.453 0.000 -6.540) 6.699 7.458 ( -13.413 0.000 -5.910) 14.657 7.511 ( -12.028 0.000 0.144) 12.029 7.577 ( 0.568 0.000 3.182) 3.232 7.692 ( -1.777 0.000 1.204) 2.147 7.780 ( 1.930 0.000 -2.560) 3.206 7.916 ( -3.473 0.000 0.641) 3.531 8.047 ( 2.621 0.000 2.490) 3.616 8.051 ( 1.446 0.000 0.256) 1.469 8.112 ( -1.689 0.000 2.227) 2.795 8.285 ( 2.471 0.000 -2.274) 3.358 8.352 ( -2.596 0.000 -5.222) 5.832 8.415 ( -1.883 0.000 0.573) 1.968 8.448 ( 0.674 0.000 -3.830) 3.889 8.471 ( -4.669 0.000 -2.324) 5.215 8.644 ( 2.021 0.000 2.523) 3.233 8.689 ( -0.727 0.000 -1.920) 2.053 8.846 ( 1.073 0.000 2.334) 2.569 8.927 ( 1.186 0.000 -1.332) 1.783 9.077 ( 5.444 0.000 -1.315) 5.601 9.158 ( -5.776 0.000 3.571) 6.791 9.233 ( -0.708 0.000 1.595) 1.745 9.317 ( -7.245 0.000 -4.139) 8.344 9.447 ( 7.814 0.000 2.008) 8.068 9.559 ( -3.582 0.000 3.469) 4.987 9.688 ( 2.794 0.000 6.667) 7.229 9.705 ( 1.274 0.000 -0.480) 1.362 9.794 ( 0.370 0.000 -3.186) 3.208 10.020 ( -5.230 0.000 -8.992) 10.402 10.131 ( 2.327 0.000 6.640) 7.036 10.134 ( 1.855 0.000 5.620) 5.918 10.206 ( -1.157 0.000 4.858) 4.994 10.230 ( 0.116 0.000 -0.534) 0.546 10.334 ( -0.010 0.000 -4.530) 4.530 10.397 ( -0.309 0.000 -6.070) 6.078 10.655 ( -1.131 0.000 1.183) 1.637 10.675 ( 3.154 0.000 -1.944) 3.705 10.718 ( -3.525 0.000 1.350) 3.775 10.732 ( -0.870 0.000 -2.951) 3.076 11.095 ( 0.710 0.000 -4.526) 4.581 11.181 ( -8.296 0.000 -3.941) 9.184 11.344 ( -2.641 0.000 8.283) 8.694 11.352 ( 8.763 0.000 -1.363) 8.869 11.382 ( 12.328 0.000 -3.134) 12.720 11.491 ( 3.421 0.000 5.472) 6.453 11.703 ( -12.227 0.000 1.898) 12.373 11.855 ( -12.970 0.000 -4.117) 13.608 11.891 ( 3.700 0.000 -4.704) 5.985 11.906 ( -8.255 0.000 6.846) 10.724 12.330 ( -7.389 0.000 3.761) 8.291 12.352 ( 2.618 0.000 -8.037) 8.453 12.600 ( 0.240 0.000 -0.284) 0.372 12.620 ( 1.406 0.000 -0.160) 1.415 12.799 ( 0.917 0.000 9.137) 9.183 12.982 ( 0.304 0.000 -5.154) 5.163 13.232 ( 1.136 0.000 -0.158) 1.147 13.315 ( -4.085 0.000 -3.460) 5.353 13.866 ( 1.883 0.000 -0.783) 2.039 13.872 ( -2.975 0.000 0.782) 3.076 14.013 ( 3.865 0.000 1.360) 4.097 14.057 ( 0.908 0.000 -2.816) 2.959 14.605 ( 11.238 0.000 -2.328) 11.477 14.666 ( 4.533 0.000 2.489) 5.171 14.672 ( -0.315 0.000 3.883) 3.896 14.760 ( 10.329 0.000 3.349) 10.858 14.777 ( -0.455 0.000 -1.976) 2.027 14.884 ( 4.079 0.000 -7.663) 8.681 15.114 ( -2.661 0.000 5.288) 5.920 15.128 ( 7.586 0.000 -4.396) 8.767 15.193 ( 1.652 0.000 0.829) 1.848 15.279 ( -3.649 0.000 -1.398) 3.907 15.578 ( -4.397 0.000 11.700) 12.499 15.810 ( -2.238 0.000 -4.783) 5.281 15.939 ( 4.940 0.000 6.412) 8.094 16.213 ( 0.759 0.000 -10.294) 10.322 16.330 ( -4.031 0.000 6.297) 7.477 16.347 ( 6.416 0.000 -5.328) 8.340 16.727 ( 7.033 0.000 -0.614) 7.060 16.828 ( -3.837 0.000 0.196) 3.842 16.973 ( -0.616 0.000 6.986) 7.013 17.062 ( 4.836 0.000 -6.921) 8.444 18.073 ( 1.899 0.000 0.871) 2.090 18.153 ( -4.884 0.000 1.211) 5.032 18.302 ( 2.321 0.000 -3.509) 4.207 18.386 ( -9.404 0.000 0.508) 9.417 18.850 ( -5.086 0.000 2.543) 5.686 18.892 ( -3.394 0.000 -3.384) 4.793 19.202 ( -0.790 0.000 3.019) 3.120 19.286 ( -0.893 0.000 -4.339) 4.430 24.974 ( -0.145 0.000 3.291) 3.294 25.036 ( 1.321 0.000 -4.560) 4.747 25.698 ( 5.735 0.000 8.263) 10.058 25.912 ( 5.408 0.000 -11.802) 12.982 26.785 ( -3.189 0.000 2.777) 4.229 26.809 ( 0.137 0.000 -3.221) 3.224 26.846 ( 1.704 0.000 -0.031) 1.704 26.921 ( -3.455 0.000 -1.876) 3.932 27.778 ( 1.087 0.000 1.120) 1.561 27.810 ( -0.462 0.000 -0.186) 0.498 28.141 ( -0.141 0.000 2.925) 2.929 28.169 ( 0.672 0.000 -1.219) 1.392 28.440 ( 0.635 0.000 12.848) 12.864 28.640 ( 3.661 0.000 -9.608) 10.281 28.853 ( -6.400 0.000 15.222) 16.513 28.986 ( 9.078 0.000 -10.869) 14.161 29.111 ( 10.920 0.000 -0.372) 10.926 29.391 ( -7.320 0.000 -4.664) 8.679 29.411 ( 0.535 0.000 -5.926) 5.950 29.431 ( -7.744 0.000 2.324) 8.085 29.675 ( 14.111 0.000 5.444) 15.125 29.727 ( 5.594 0.000 -2.508) 6.130 30.030 ( -10.364 0.000 3.699) 11.004 30.197 ( -16.097 0.000 -0.808) 16.117 30.601 ( 1.383 0.000 5.599) 5.767 30.739 ( 0.092 0.000 -6.242) 6.243 30.959 ( 1.826 0.000 7.763) 7.975 31.161 ( -4.530 0.000 -6.382) 7.826 ======================= Grid point 74 (38/54) ======================= q-point: (-0.43 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 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 Number of triplets: 54 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.662 ( 4.799 0.000 8.726) 9.959 1.869 ( 6.560 0.000 -1.074) 6.647 1.943 ( -2.151 0.000 0.899) 2.331 2.143 ( 7.507 0.000 -3.261) 8.185 2.465 ( -12.592 0.000 6.824) 14.322 2.543 ( -6.675 0.000 -7.841) 10.297 2.602 ( 0.936 0.000 8.189) 8.243 2.710 ( -6.288 0.000 -7.436) 9.738 2.796 ( -15.076 0.000 3.477) 15.471 2.852 ( -12.170 0.000 4.318) 12.913 2.982 ( 8.734 0.000 -6.169) 10.693 3.063 ( -3.301 0.000 -10.809) 11.302 3.110 ( 4.030 0.000 2.272) 4.627 3.286 ( 9.694 0.000 -4.828) 10.830 3.326 ( 20.035 0.000 4.469) 20.528 3.442 ( 10.463 0.000 -14.543) 17.915 3.763 ( -10.194 0.000 -0.522) 10.207 3.778 ( -3.664 0.000 5.305) 6.448 3.956 ( -1.290 0.000 -3.839) 4.050 3.979 ( 1.490 0.000 -1.586) 2.176 4.112 ( 2.031 0.000 -2.837) 3.489 4.164 ( -0.924 0.000 -1.621) 1.866 4.266 ( -2.159 0.000 -3.291) 3.936 4.319 ( -5.069 0.000 5.454) 7.446 4.414 ( -6.470 0.000 -1.626) 6.671 4.498 ( -1.942 0.000 2.967) 3.547 4.515 ( -0.750 0.000 0.664) 1.001 4.649 ( 1.368 0.000 -0.918) 1.648 4.667 ( -12.677 0.000 17.102) 21.288 4.707 ( 7.825 0.000 -3.640) 8.630 4.808 ( 2.397 0.000 -4.841) 5.402 4.927 ( 1.878 0.000 4.988) 5.330 4.963 ( -5.561 0.000 2.732) 6.196 5.050 ( -9.635 0.000 7.140) 11.992 5.056 ( 4.475 0.000 0.694) 4.529 5.154 ( -3.697 0.000 15.220) 15.663 5.169 ( -3.635 0.000 -2.592) 4.465 5.318 ( -3.440 0.000 11.079) 11.600 5.321 ( -7.340 0.000 -6.872) 10.055 5.356 ( -9.890 0.000 1.806) 10.054 5.444 ( 2.152 0.000 -5.458) 5.867 5.566 ( -4.938 0.000 -12.435) 13.380 5.732 ( -0.462 0.000 -0.334) 0.570 5.841 ( 15.191 0.000 5.977) 16.324 5.895 ( 7.540 0.000 5.718) 9.463 5.991 ( -4.791 0.000 11.255) 12.232 5.999 ( -7.051 0.000 1.418) 7.192 6.108 ( 5.112 0.000 0.378) 5.126 6.162 ( 3.726 0.000 -5.863) 6.947 6.164 ( -2.765 0.000 -1.820) 3.310 6.261 ( -6.405 0.000 -6.124) 8.861 6.452 ( -2.083 0.000 -16.177) 16.310 6.499 ( -18.074 0.000 1.613) 18.146 6.524 ( -0.560 0.000 -0.778) 0.958 6.562 ( 3.315 0.000 2.961) 4.445 6.772 ( 3.512 0.000 -0.895) 3.624 6.796 ( -1.614 0.000 2.857) 3.282 6.889 ( -0.675 0.000 8.081) 8.109 6.935 ( 7.514 0.000 -8.491) 11.339 7.050 ( 7.314 0.000 -1.280) 7.425 7.099 ( -1.766 0.000 -1.288) 2.185 7.159 ( -0.299 0.000 6.035) 6.043 7.240 ( -0.972 0.000 -1.733) 1.987 7.279 ( 10.232 0.000 6.083) 11.903 7.359 ( -1.759 0.000 -2.556) 3.102 7.545 ( 13.279 0.000 -2.433) 13.500 7.622 ( 3.637 0.000 6.058) 7.066 7.651 ( 2.927 0.000 -1.548) 3.311 7.827 ( -6.195 0.000 -3.839) 7.288 7.881 ( 5.891 0.000 2.615) 6.445 8.076 ( -0.261 0.000 -1.924) 1.942 8.080 ( 0.967 0.000 -1.405) 1.706 8.145 ( 3.874 0.000 6.794) 7.821 8.233 ( -1.415 0.000 -8.426) 8.544 8.396 ( -1.946 0.000 -4.459) 4.866 8.409 ( 4.175 0.000 3.150) 5.231 8.422 ( 2.375 0.000 -0.784) 2.501 8.467 ( 0.742 0.000 -4.529) 4.589 8.656 ( -0.497 0.000 1.664) 1.736 8.688 ( 0.300 0.000 -1.060) 1.101 8.865 ( -0.061 0.000 4.044) 4.045 8.881 ( -5.322 0.000 -1.769) 5.608 9.051 ( -4.526 0.000 0.112) 4.528 9.196 ( 7.226 0.000 1.680) 7.419 9.260 ( 2.221 0.000 -0.078) 2.222 9.281 ( 3.222 0.000 -2.375) 4.002 9.466 ( -5.247 0.000 0.416) 5.264 9.578 ( 4.339 0.000 2.769) 5.147 9.703 ( 1.679 0.000 -0.753) 1.840 9.732 ( 0.296 0.000 1.859) 1.882 9.855 ( -8.146 0.000 -9.532) 12.539 9.890 ( 6.686 0.000 3.643) 7.614 10.125 ( -2.440 0.000 7.624) 8.005 10.171 ( -0.797 0.000 4.217) 4.292 10.204 ( 1.169 0.000 2.448) 2.712 10.244 ( 0.480 0.000 0.793) 0.927 10.355 ( -1.113 0.000 -8.983) 9.052 10.363 ( 1.273 0.000 -3.393) 3.624 10.633 ( -4.392 0.000 1.767) 4.735 10.658 ( -1.443 0.000 -0.145) 1.450 10.726 ( 7.480 0.000 -1.924) 7.724 10.801 ( 4.779 0.000 -5.410) 7.218 11.066 ( -2.938 0.000 -1.202) 3.175 11.125 ( 1.944 0.000 1.330) 2.356 11.244 ( -6.219 0.000 6.658) 9.111 11.397 ( -13.518 0.000 -0.933) 13.550 11.482 ( 1.144 0.000 -5.633) 5.748 11.568 ( 1.546 0.000 -2.210) 2.697 11.680 ( 8.420 0.000 10.719) 13.630 11.728 ( 7.793 0.000 -1.034) 7.861 11.840 ( 2.121 0.000 2.756) 3.478 12.008 ( 8.585 0.000 -3.795) 9.386 12.211 ( -4.768 0.000 5.516) 7.291 12.431 ( 5.326 0.000 -5.392) 7.579 12.600 ( -0.469 0.000 0.083) 0.476 12.624 ( -1.298 0.000 -1.965) 2.355 12.809 ( 0.979 0.000 10.465) 10.511 12.981 ( -0.784 0.000 -7.478) 7.519 13.253 ( 2.675 0.000 1.904) 3.283 13.294 ( -0.107 0.000 -5.030) 5.032 13.812 ( -1.702 0.000 3.328) 3.738 13.866 ( -2.589 0.000 2.056) 3.306 14.041 ( -1.636 0.000 0.134) 1.642 14.082 ( 1.813 0.000 -6.025) 6.292 14.562 ( -10.309 0.000 2.123) 10.526 14.691 ( -2.187 0.000 5.429) 5.853 14.713 ( -6.216 0.000 -2.746) 6.795 14.752 ( 2.658 0.000 -2.780) 3.846 14.804 ( -3.606 0.000 0.653) 3.664 14.856 ( -9.040 0.000 -6.412) 11.084 15.032 ( -5.548 0.000 4.766) 7.314 15.183 ( -4.362 0.000 -0.399) 4.380 15.219 ( 4.002 0.000 -3.060) 5.038 15.222 ( -0.420 0.000 4.543) 4.563 15.643 ( 7.876 0.000 9.938) 12.680 15.796 ( 3.307 0.000 -9.209) 9.784 15.973 ( -3.948 0.000 11.767) 12.411 16.098 ( -10.495 0.000 -7.369) 12.824 16.253 ( -4.154 0.000 4.103) 5.838 16.457 ( 4.123 0.000 -5.036) 6.509 16.750 ( -4.424 0.000 -4.298) 6.168 16.841 ( 4.376 0.000 -0.101) 4.378 16.919 ( -4.994 0.000 7.200) 8.762 17.091 ( -1.353 0.000 -4.610) 4.804 18.090 ( -0.451 0.000 -1.116) 1.203 18.160 ( 5.863 0.000 1.122) 5.969 18.270 ( -2.625 0.000 0.283) 2.640 18.405 ( 9.190 0.000 -2.096) 9.426 18.836 ( 3.771 0.000 2.128) 4.330 18.916 ( 5.656 0.000 -3.758) 6.791 19.220 ( 2.521 0.000 2.683) 3.682 19.283 ( 0.530 0.000 -5.568) 5.593 24.962 ( -1.156 0.000 3.047) 3.259 25.051 ( 0.298 0.000 -4.567) 4.576 25.712 ( -4.785 0.000 8.472) 9.730 25.899 ( -6.062 0.000 -12.261) 13.677 26.754 ( 0.100 0.000 2.467) 2.470 26.824 ( 0.151 0.000 -1.394) 1.402 26.876 ( 0.304 0.000 -3.006) 3.021 26.897 ( 3.212 0.000 0.757) 3.300 27.795 ( -0.865 0.000 -0.623) 1.066 27.801 ( 0.980 0.000 0.728) 1.221 28.135 ( -0.398 0.000 2.458) 2.490 28.180 ( 0.306 0.000 -1.183) 1.222 28.435 ( -1.803 0.000 11.512) 11.652 28.673 ( -0.099 0.000 -10.960) 10.961 28.744 ( -4.837 0.000 13.336) 14.186 29.113 ( -6.678 0.000 -4.210) 7.895 29.138 ( -2.497 0.000 -9.813) 10.126 29.256 ( -5.994 0.000 7.311) 9.454 29.349 ( 9.108 0.000 0.976) 9.160 29.519 ( 7.031 0.000 -5.602) 8.990 29.706 ( -9.078 0.000 0.158) 9.079 29.752 ( -7.862 0.000 -3.257) 8.510 30.082 ( 8.235 0.000 -1.619) 8.393 30.126 ( 18.085 0.000 6.697) 19.285 30.619 ( 0.224 0.000 6.011) 6.015 30.718 ( -1.854 0.000 -6.423) 6.685 31.010 ( 3.205 0.000 8.607) 9.184 31.101 ( -1.681 0.000 -6.344) 6.563 ======================= Grid point 75 (39/54) ======================= q-point: (-0.29 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 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 Number of triplets: 54 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.809 ( 7.678 0.000 3.095) 8.278 1.811 ( -12.067 0.000 10.176) 15.785 2.078 ( -19.031 0.000 18.010) 26.202 2.116 ( 15.111 0.000 -6.233) 16.346 2.239 ( -15.569 0.000 -5.315) 16.452 2.360 ( 3.983 0.000 -1.069) 4.124 2.449 ( -10.467 0.000 -3.943) 11.185 2.591 ( -5.559 0.000 2.265) 6.003 2.708 ( -1.091 0.000 5.143) 5.257 2.785 ( 2.667 0.000 0.537) 2.721 2.951 ( 1.526 0.000 -13.974) 14.057 3.116 ( 3.132 0.000 -2.779) 4.187 3.179 ( -0.278 0.000 1.719) 1.742 3.443 ( -11.098 0.000 -12.013) 16.355 3.537 ( -14.411 0.000 0.436) 14.418 3.573 ( 9.056 0.000 -0.218) 9.059 3.608 ( 8.244 0.000 0.268) 8.249 3.862 ( 12.662 0.000 5.135) 13.664 3.922 ( -4.168 0.000 1.095) 4.310 3.946 ( -5.803 0.000 -8.004) 9.886 4.046 ( 3.367 0.000 -2.337) 4.099 4.136 ( -1.856 0.000 -4.169) 4.563 4.181 ( -7.143 0.000 8.241) 10.906 4.267 ( -10.257 0.000 14.603) 17.845 4.272 ( -9.209 0.000 3.655) 9.908 4.339 ( 0.641 0.000 0.970) 1.163 4.491 ( 1.437 0.000 -0.858) 1.673 4.545 ( -13.892 0.000 1.939) 14.026 4.582 ( -2.051 0.000 -7.605) 7.876 4.676 ( 5.227 0.000 7.653) 9.267 4.823 ( -6.808 0.000 -1.989) 7.092 4.850 ( -2.828 0.000 -5.090) 5.823 4.885 ( -6.408 0.000 5.090) 8.184 4.961 ( -2.013 0.000 -1.233) 2.360 5.057 ( 3.861 0.000 -5.780) 6.951 5.112 ( -0.906 0.000 8.264) 8.313 5.212 ( -1.454 0.000 2.344) 2.759 5.298 ( 0.048 0.000 11.899) 11.899 5.327 ( -3.028 0.000 -9.175) 9.662 5.381 ( 6.874 0.000 0.211) 6.877 5.399 ( 6.242 0.000 -5.397) 8.252 5.482 ( -4.491 0.000 -5.111) 6.804 5.664 ( -10.423 0.000 0.002) 10.423 5.726 ( -8.740 0.000 -3.411) 9.382 5.845 ( -4.513 0.000 6.687) 8.067 5.851 ( -13.919 0.000 8.398) 16.256 5.972 ( -3.743 0.000 -4.856) 6.131 6.046 ( -13.756 0.000 -1.521) 13.840 6.145 ( -12.082 0.000 -3.556) 12.594 6.179 ( 1.665 0.000 4.359) 4.666 6.271 ( -3.905 0.000 -1.044) 4.042 6.307 ( 10.790 0.000 -0.692) 10.812 6.332 ( 6.254 0.000 1.103) 6.350 6.541 ( -1.161 0.000 -2.677) 2.918 6.639 ( -5.968 0.000 7.693) 9.737 6.719 ( 12.665 0.000 -7.144) 14.541 6.831 ( 0.010 0.000 2.423) 2.423 6.982 ( 9.470 0.000 4.028) 10.291 7.049 ( 1.949 0.000 -14.772) 14.900 7.152 ( 2.645 0.000 3.836) 4.660 7.176 ( 6.033 0.000 2.190) 6.418 7.199 ( 6.181 0.000 -10.138) 11.874 7.260 ( 2.241 0.000 0.741) 2.360 7.449 ( 5.143 0.000 6.165) 8.028 7.470 ( 8.111 0.000 3.378) 8.786 7.673 ( -6.504 0.000 -0.864) 6.561 7.699 ( 5.451 0.000 -2.222) 5.886 7.712 ( 2.728 0.000 6.410) 6.966 7.869 ( 5.656 0.000 -1.045) 5.751 7.991 ( 9.290 0.000 1.575) 9.423 8.066 ( -0.453 0.000 -3.107) 3.140 8.100 ( 5.830 0.000 -5.370) 7.926 8.209 ( 0.429 0.000 5.651) 5.667 8.281 ( 3.180 0.000 -6.225) 6.990 8.368 ( -0.933 0.000 -5.083) 5.168 8.472 ( 1.948 0.000 6.473) 6.760 8.491 ( 3.507 0.000 -1.335) 3.753 8.501 ( 5.986 0.000 -2.754) 6.589 8.656 ( 0.346 0.000 3.042) 3.062 8.680 ( -2.041 0.000 -2.291) 3.069 8.805 ( -0.305 0.000 1.308) 1.343 8.839 ( -3.124 0.000 2.634) 4.086 8.991 ( -1.545 0.000 -3.973) 4.263 9.192 ( -7.122 0.000 1.622) 7.305 9.373 ( 5.192 0.000 -2.693) 5.849 9.375 ( 7.210 0.000 4.314) 8.402 9.426 ( 2.425 0.000 -0.569) 2.491 9.602 ( -1.464 0.000 1.742) 2.276 9.667 ( -3.766 0.000 -0.625) 3.817 9.756 ( 2.614 0.000 -6.468) 6.976 9.793 ( -0.310 0.000 -1.255) 1.293 10.005 ( 4.496 0.000 3.400) 5.637 10.057 ( -7.975 0.000 -0.158) 7.976 10.071 ( -3.225 0.000 3.986) 5.128 10.253 ( 3.021 0.000 3.894) 4.928 10.294 ( 4.203 0.000 3.580) 5.521 10.366 ( 0.980 0.000 -2.650) 2.825 10.415 ( 5.995 0.000 -7.401) 9.525 10.563 ( -1.853 0.000 2.154) 2.841 10.650 ( -0.535 0.000 4.549) 4.581 10.884 ( 3.854 0.000 -2.169) 4.423 10.892 ( 5.142 0.000 -5.118) 7.255 11.017 ( -7.910 0.000 0.562) 7.930 11.035 ( -0.712 0.000 -0.972) 1.205 11.200 ( 1.803 0.000 2.947) 3.455 11.324 ( 6.680 0.000 4.267) 7.927 11.434 ( 0.042 0.000 -2.709) 2.709 11.635 ( 4.016 0.000 -4.934) 6.362 11.751 ( 0.776 0.000 6.353) 6.401 11.898 ( 4.850 0.000 -0.837) 4.921 12.023 ( 13.013 0.000 7.281) 14.911 12.140 ( -0.288 0.000 5.078) 5.087 12.242 ( 12.391 0.000 0.270) 12.394 12.533 ( 4.564 0.000 -4.753) 6.590 12.577 ( -1.621 0.000 -1.158) 1.992 12.584 ( -1.575 0.000 0.165) 1.583 12.888 ( 7.177 0.000 8.127) 10.843 12.952 ( -1.517 0.000 -7.659) 7.808 13.222 ( -7.314 0.000 -7.344) 10.365 13.354 ( 6.790 0.000 4.278) 8.025 13.744 ( -9.908 0.000 2.223) 10.154 13.748 ( -9.495 0.000 1.704) 9.647 14.029 ( 4.072 0.000 3.803) 5.572 14.122 ( 2.110 0.000 -6.156) 6.507 14.323 ( -13.275 0.000 1.439) 13.352 14.527 ( -15.622 0.000 -6.592) 16.956 14.566 ( -12.679 0.000 7.729) 14.849 14.587 ( -11.896 0.000 -4.278) 12.642 14.668 ( -6.400 0.000 -1.986) 6.701 14.774 ( -1.415 0.000 -2.455) 2.834 14.881 ( -7.788 0.000 1.947) 8.027 15.102 ( -3.914 0.000 -1.424) 4.165 15.197 ( -2.977 0.000 9.813) 10.254 15.315 ( 4.314 0.000 -2.778) 5.131 15.689 ( -9.218 0.000 3.357) 9.810 15.728 ( -13.155 0.000 8.685) 15.763 15.957 ( 2.181 0.000 -0.813) 2.327 15.986 ( 7.185 0.000 -5.705) 9.175 16.167 ( -3.856 0.000 2.621) 4.662 16.509 ( 1.734 0.000 -1.716) 2.440 16.617 ( -9.356 0.000 -9.637) 13.431 16.772 ( -8.214 0.000 5.264) 9.756 16.912 ( 1.103 0.000 0.985) 1.479 17.040 ( -3.111 0.000 -2.821) 4.199 18.162 ( 8.010 0.000 -3.411) 8.706 18.251 ( 3.118 0.000 0.334) 3.135 18.259 ( 0.756 0.000 0.512) 0.913 18.658 ( 15.094 0.000 -2.296) 15.268 18.980 ( 9.931 0.000 2.412) 10.220 19.073 ( 9.348 0.000 -3.954) 10.150 19.299 ( 1.516 0.000 -4.198) 4.463 19.300 ( 5.432 0.000 1.005) 5.524 24.941 ( -0.763 0.000 2.766) 2.870 25.044 ( -0.707 0.000 -4.522) 4.577 25.535 ( -12.739 0.000 6.911) 14.493 25.683 ( -15.132 0.000 -12.131) 19.395 26.783 ( 2.392 0.000 1.696) 2.932 26.813 ( -0.047 0.000 0.016) 0.050 26.926 ( 3.484 0.000 -2.643) 4.374 26.961 ( 3.068 0.000 1.316) 3.338 27.782 ( -0.293 0.000 -0.682) 0.742 27.808 ( -0.397 0.000 0.232) 0.460 28.127 ( -0.781 0.000 1.378) 1.584 28.170 ( -1.544 0.000 -1.320) 2.031 28.395 ( -1.934 0.000 10.047) 10.231 28.643 ( -1.848 0.000 -9.677) 9.852 28.672 ( -3.140 0.000 8.576) 9.132 28.883 ( -10.831 0.000 -0.824) 10.863 29.066 ( -11.851 0.000 6.324) 13.433 29.082 ( -8.276 0.000 -5.557) 9.969 29.580 ( -0.010 0.000 6.974) 6.974 29.592 ( 10.743 0.000 1.886) 10.907 29.636 ( 2.359 0.000 -11.652) 11.888 29.733 ( 10.517 0.000 -6.498) 12.362 30.257 ( 6.611 0.000 -1.078) 6.698 30.438 ( 9.730 0.000 3.054) 10.197 30.613 ( -1.325 0.000 5.073) 5.243 30.669 ( -2.873 0.000 -5.453) 6.163 31.112 ( 7.401 0.000 12.405) 14.445 31.130 ( 7.458 0.000 -5.088) 9.028 ======================= Grid point 76 (40/54) ======================= q-point: (-0.14 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 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 Number of triplets: 54 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.553 ( -11.898 0.000 19.789) 23.090 1.655 ( -16.264 0.000 27.653) 32.081 1.824 ( -16.708 0.000 7.268) 18.220 2.001 ( 7.066 0.000 -7.807) 10.529 2.270 ( -3.949 0.000 -17.099) 17.549 2.353 ( -10.701 0.000 -11.032) 15.369 2.549 ( 14.522 0.000 0.055) 14.523 2.563 ( 6.019 0.000 15.102) 16.257 2.732 ( 1.807 0.000 4.154) 4.530 2.830 ( -5.150 0.000 7.218) 8.867 2.941 ( 8.343 0.000 -4.679) 9.565 3.039 ( -18.616 0.000 0.690) 18.629 3.133 ( -2.752 0.000 -6.903) 7.432 3.170 ( -8.382 0.000 -4.670) 9.596 3.337 ( -1.131 0.000 8.671) 8.744 3.629 ( 4.589 0.000 3.476) 5.757 3.681 ( -0.323 0.000 -1.885) 1.912 3.826 ( -5.908 0.000 8.497) 10.349 3.856 ( -1.397 0.000 -20.243) 20.291 3.985 ( -11.310 0.000 1.216) 11.375 4.000 ( -9.992 0.000 11.451) 15.197 4.089 ( -1.990 0.000 -4.861) 5.253 4.123 ( -5.510 0.000 -1.743) 5.779 4.207 ( 12.158 0.000 5.590) 13.381 4.289 ( -0.896 0.000 6.464) 6.525 4.330 ( -5.961 0.000 -4.896) 7.714 4.391 ( 10.677 0.000 2.556) 10.979 4.486 ( -15.282 0.000 -16.938) 22.813 4.505 ( 12.456 0.000 -5.968) 13.812 4.645 ( -9.237 0.000 6.300) 11.181 4.696 ( -5.129 0.000 -10.162) 11.383 4.885 ( 8.490 0.000 1.984) 8.719 4.903 ( 8.343 0.000 -6.950) 10.859 5.002 ( 1.886 0.000 2.310) 2.982 5.019 ( -9.004 0.000 1.595) 9.144 5.135 ( 4.437 0.000 4.215) 6.120 5.174 ( -6.176 0.000 -4.496) 7.639 5.207 ( -0.284 0.000 -1.246) 1.278 5.266 ( -4.184 0.000 18.276) 18.749 5.363 ( -11.282 0.000 3.477) 11.805 5.406 ( -8.070 0.000 4.636) 9.307 5.450 ( -1.436 0.000 5.837) 6.011 5.513 ( 1.307 0.000 -5.127) 5.291 5.621 ( 1.694 0.000 -9.499) 9.649 5.771 ( -6.258 0.000 -4.357) 7.626 5.790 ( -7.440 0.000 -4.087) 8.489 5.844 ( 1.917 0.000 -10.768) 10.937 5.912 ( -2.745 0.000 6.131) 6.718 5.925 ( 1.932 0.000 1.983) 2.769 6.155 ( -4.735 0.000 1.180) 4.880 6.226 ( -0.753 0.000 4.489) 4.551 6.351 ( -3.570 0.000 -0.675) 3.633 6.509 ( 9.979 0.000 4.104) 10.790 6.640 ( 3.457 0.000 1.880) 3.935 6.713 ( 12.970 0.000 3.171) 13.352 6.840 ( 0.494 0.000 -3.173) 3.212 6.891 ( 4.518 0.000 0.413) 4.537 7.032 ( 0.538 0.000 -17.244) 17.253 7.081 ( -0.249 0.000 6.416) 6.421 7.221 ( 3.723 0.000 0.744) 3.796 7.250 ( 1.230 0.000 -2.735) 2.999 7.309 ( 4.355 0.000 -8.488) 9.540 7.359 ( 5.169 0.000 5.329) 7.424 7.431 ( -6.981 0.000 -1.506) 7.141 7.498 ( -2.556 0.000 0.400) 2.587 7.664 ( 3.208 0.000 3.638) 4.851 7.734 ( -0.274 0.000 -5.607) 5.613 7.794 ( 6.682 0.000 4.975) 8.331 7.840 ( -3.466 0.000 -2.416) 4.225 8.076 ( -6.508 0.000 0.461) 6.525 8.077 ( 1.617 0.000 -0.696) 1.761 8.185 ( 2.071 0.000 -1.097) 2.344 8.263 ( 3.822 0.000 -1.797) 4.224 8.297 ( -1.014 0.000 -3.078) 3.241 8.421 ( 7.140 0.000 -1.120) 7.228 8.498 ( 0.551 0.000 8.501) 8.518 8.570 ( -1.269 0.000 1.228) 1.766 8.605 ( -3.272 0.000 -3.292) 4.642 8.619 ( 4.155 0.000 -2.939) 5.089 8.654 ( 0.959 0.000 3.027) 3.176 8.788 ( 1.350 0.000 2.421) 2.772 8.892 ( 8.221 0.000 2.233) 8.518 8.968 ( -1.777 0.000 -3.888) 4.275 9.112 ( 0.194 0.000 4.248) 4.252 9.411 ( 0.475 0.000 -0.212) 0.520 9.456 ( 2.198 0.000 -0.221) 2.209 9.503 ( -0.356 0.000 4.675) 4.689 9.549 ( -2.521 0.000 -2.288) 3.405 9.641 ( 1.870 0.000 -1.985) 2.727 9.789 ( 0.778 0.000 -6.734) 6.779 9.843 ( 5.100 0.000 4.345) 6.700 9.939 ( -3.226 0.000 1.864) 3.726 9.999 ( -3.584 0.000 -1.451) 3.867 10.051 ( -0.046 0.000 -0.324) 0.327 10.320 ( 4.869 0.000 3.008) 5.723 10.357 ( 2.445 0.000 3.535) 4.298 10.434 ( 4.665 0.000 -0.747) 4.725 10.484 ( -0.312 0.000 0.601) 0.677 10.602 ( -4.322 0.000 4.420) 6.182 10.622 ( 3.114 0.000 -5.531) 6.348 10.729 ( -4.805 0.000 1.415) 5.009 10.902 ( -5.014 0.000 -0.384) 5.029 11.125 ( 9.017 0.000 0.607) 9.038 11.126 ( 9.675 0.000 -3.721) 10.366 11.307 ( 8.363 0.000 0.110) 8.364 11.495 ( 4.380 0.000 -3.080) 5.354 11.561 ( 15.937 0.000 8.329) 17.983 11.705 ( 3.618 0.000 -3.578) 5.088 11.759 ( -0.019 0.000 4.751) 4.751 11.919 ( -0.965 0.000 -1.329) 1.642 12.160 ( 2.169 0.000 6.819) 7.155 12.297 ( 14.974 0.000 5.204) 15.852 12.429 ( 4.943 0.000 0.898) 5.024 12.534 ( -1.067 0.000 -5.398) 5.502 12.587 ( 1.011 0.000 2.253) 2.469 12.608 ( 3.048 0.000 -1.482) 3.389 12.903 ( -3.279 0.000 -2.508) 4.128 13.046 ( -4.164 0.000 -2.264) 4.740 13.122 ( 12.428 0.000 1.767) 12.553 13.422 ( -6.811 0.000 0.537) 6.832 13.477 ( -15.335 0.000 4.227) 15.907 13.548 ( -5.470 0.000 0.563) 5.499 14.055 ( -13.840 0.000 -1.384) 13.909 14.085 ( -7.375 0.000 -5.915) 9.454 14.129 ( 0.574 0.000 2.750) 2.809 14.202 ( -20.466 0.000 3.364) 20.741 14.303 ( 0.862 0.000 -0.579) 1.038 14.444 ( -2.672 0.000 -1.451) 3.040 14.536 ( -6.481 0.000 -4.266) 7.759 14.762 ( -0.704 0.000 0.393) 0.806 14.829 ( 3.174 0.000 3.360) 4.622 15.017 ( -5.043 0.000 -2.202) 5.503 15.048 ( -13.252 0.000 9.363) 16.226 15.306 ( -8.873 0.000 -3.426) 9.511 15.481 ( -8.686 0.000 4.332) 9.706 15.484 ( -4.483 0.000 -0.535) 4.515 16.062 ( 1.021 0.000 -0.927) 1.379 16.065 ( 5.764 0.000 4.733) 7.458 16.187 ( 5.074 0.000 -2.910) 5.849 16.375 ( -12.730 0.000 -6.045) 14.093 16.555 ( 1.726 0.000 -4.386) 4.713 16.615 ( -7.359 0.000 2.991) 7.944 16.905 ( -1.253 0.000 1.768) 2.168 16.968 ( -4.240 0.000 -1.598) 4.531 18.279 ( 1.137 0.000 0.686) 1.328 18.287 ( 0.850 0.000 0.648) 1.069 18.377 ( 12.845 0.000 -2.123) 13.019 18.852 ( 1.086 0.000 -8.709) 8.776 19.173 ( 8.342 0.000 3.265) 8.958 19.242 ( 8.140 0.000 -3.262) 8.769 19.365 ( 5.305 0.000 0.617) 5.341 19.411 ( 5.193 0.000 -0.664) 5.235 24.948 ( 1.817 0.000 2.152) 2.816 25.032 ( 0.143 0.000 -3.683) 3.685 25.269 ( -13.461 0.000 3.826) 13.994 25.339 ( -18.091 0.000 -7.102) 19.435 26.830 ( 2.018 0.000 0.824) 2.180 26.833 ( 1.924 0.000 -0.206) 1.935 26.988 ( 2.730 0.000 -1.264) 3.008 27.007 ( 1.347 0.000 1.449) 1.978 27.782 ( 0.216 0.000 -0.410) 0.463 27.792 ( -0.918 0.000 0.208) 0.941 28.097 ( -2.177 0.000 0.223) 2.188 28.121 ( -2.953 0.000 -1.390) 3.264 28.391 ( 1.238 0.000 8.840) 8.926 28.606 ( -2.230 0.000 -5.569) 5.999 28.629 ( -1.547 0.000 5.557) 5.769 28.726 ( -4.096 0.000 -3.692) 5.514 28.846 ( -9.662 0.000 4.295) 10.573 28.895 ( -8.901 0.000 -2.482) 9.240 29.562 ( -0.198 0.000 3.997) 4.002 29.697 ( 3.539 0.000 -14.065) 14.504 29.866 ( 13.174 0.000 9.332) 16.144 29.966 ( 11.953 0.000 -6.894) 13.799 30.335 ( 2.589 0.000 0.115) 2.592 30.473 ( -2.938 0.000 -2.356) 3.766 30.556 ( -4.808 0.000 2.130) 5.259 30.574 ( -7.183 0.000 -2.808) 7.712 31.280 ( 7.465 0.000 17.481) 19.008 31.419 ( 19.038 0.000 -7.092) 20.316 ======================= Grid point 77 (41/54) ======================= q-point: ( 0.00 0.20 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 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 Number of triplets: 88 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.361 ( 0.515 -1.188 31.186) 31.213 1.662 ( 7.928 12.309 24.388) 28.445 1.895 ( 5.453 -4.646 -13.909) 15.646 2.131 ( -13.064 6.945 -16.838) 22.415 2.289 ( 3.570 27.103 4.603) 27.722 2.473 ( 0.535 15.703 -10.592) 18.949 2.638 ( -7.215 -1.757 1.976) 7.684 2.666 ( 3.157 -3.569 -0.062) 4.766 2.835 ( -1.867 3.948 3.235) 5.435 2.882 ( 4.335 16.427 14.145) 22.107 2.909 ( 12.580 8.691 -1.035) 15.325 2.974 ( -9.234 6.290 -3.160) 11.611 3.232 ( 3.280 7.360 14.717) 16.779 3.345 ( -0.066 4.322 4.228) 6.047 3.379 ( -1.007 6.052 -0.886) 6.199 3.649 ( 1.194 0.185 -6.810) 6.917 3.692 ( -1.222 -1.336 5.940) 6.210 3.733 ( 1.741 -1.888 3.533) 4.368 3.772 ( -2.777 0.871 -1.762) 3.402 3.845 ( -10.715 1.906 0.963) 10.925 3.915 ( 3.138 3.415 -0.846) 4.715 4.058 ( -3.134 -2.129 -4.963) 6.243 4.096 ( 5.304 0.856 -10.113) 11.451 4.208 ( -1.296 -3.574 5.673) 6.829 4.222 ( -1.316 3.469 -11.821) 12.390 4.319 ( 3.475 -2.801 -5.615) 7.172 4.431 ( 0.460 -0.443 1.858) 1.965 4.481 ( -1.172 -0.501 3.824) 4.031 4.515 ( -3.071 -5.089 2.375) 6.401 4.594 ( 0.268 -2.884 -4.475) 5.330 4.671 ( -2.104 -1.297 -4.424) 5.068 4.749 ( 5.899 -3.591 -8.403) 10.877 4.971 ( 0.922 0.056 5.989) 6.060 5.007 ( -4.454 1.855 6.509) 8.102 5.074 ( -1.018 1.890 2.102) 3.004 5.097 ( 3.053 -2.619 6.322) 7.493 5.130 ( -3.522 2.284 8.066) 9.093 5.212 ( -1.888 -1.689 1.374) 2.882 5.245 ( 0.443 1.365 0.308) 1.467 5.313 ( 1.905 -0.690 -3.700) 4.219 5.361 ( 10.672 2.309 -1.648) 11.042 5.465 ( -7.126 -0.998 -9.790) 12.150 5.586 ( 4.718 1.543 -0.121) 4.965 5.616 ( -6.119 -1.697 0.585) 6.377 5.653 ( -1.705 0.857 -1.265) 2.290 5.687 ( 1.141 7.234 -4.591) 8.644 5.903 ( 5.062 4.359 -3.303) 7.453 5.958 ( -5.565 3.176 -6.654) 9.238 6.081 ( -0.231 1.263 3.987) 4.189 6.142 ( 6.496 3.424 0.233) 7.346 6.287 ( -0.369 7.436 2.896) 7.988 6.328 ( -1.074 3.217 0.030) 3.392 6.597 ( 0.045 -6.527 2.934) 7.156 6.713 ( 7.630 -1.015 3.251) 8.355 6.725 ( -2.651 -6.351 -5.893) 9.060 6.804 ( -2.816 -0.963 -3.117) 4.309 6.953 ( 2.876 -8.954 2.021) 9.620 7.001 ( -9.772 -9.036 -0.417) 13.316 7.012 ( -4.212 0.708 3.320) 5.410 7.149 ( 5.141 -0.445 -4.202) 6.655 7.269 ( -6.129 -1.378 -1.557) 6.472 7.287 ( 3.026 -2.384 1.005) 3.981 7.315 ( 5.310 -0.438 -4.603) 7.040 7.352 ( -0.440 -0.013 -3.147) 3.178 7.540 ( 1.417 -3.092 3.370) 4.789 7.598 ( 1.382 -6.170 -1.631) 6.530 7.745 ( -4.509 2.981 -0.858) 5.473 7.772 ( -0.720 0.257 -3.233) 3.322 7.893 ( 3.676 -3.857 2.008) 5.694 7.927 ( -1.392 -2.692 -0.428) 3.061 8.057 ( -2.529 -4.587 4.528) 6.924 8.158 ( 1.577 -1.990 -4.604) 5.258 8.250 ( -3.603 0.504 3.600) 5.119 8.290 ( -0.448 1.937 0.715) 2.112 8.428 ( -0.327 -2.622 2.827) 3.870 8.471 ( 1.184 -5.069 1.713) 5.480 8.521 ( 3.808 -2.246 -0.341) 4.434 8.587 ( -3.303 -3.095 -4.139) 6.134 8.672 ( 1.636 3.687 2.555) 4.775 8.700 ( -0.921 3.160 -0.379) 3.313 8.858 ( 0.584 1.690 1.164) 2.134 8.886 ( -1.891 -1.157 -1.626) 2.750 9.128 ( 4.351 4.759 6.300) 9.015 9.215 ( 0.559 5.685 -0.386) 5.726 9.333 ( -2.366 -8.666 1.763) 9.155 9.391 ( -1.402 -5.962 -0.381) 6.137 9.451 ( -0.055 -0.046 0.974) 0.976 9.459 ( 0.459 0.999 -2.091) 2.362 9.683 ( -2.060 -0.997 3.927) 4.545 9.771 ( 0.099 -3.186 -4.530) 5.539 9.979 ( 2.989 4.452 2.630) 5.973 10.025 ( -2.450 6.537 3.084) 7.632 10.042 ( -0.808 7.740 -1.466) 7.919 10.118 ( -1.790 8.615 -5.010) 10.126 10.375 ( 7.260 -4.816 2.464) 9.054 10.383 ( -2.214 -3.892 2.112) 4.950 10.470 ( -0.881 1.808 0.991) 2.242 10.499 ( 1.623 0.314 -1.559) 2.273 10.553 ( 4.496 1.647 0.258) 4.795 10.557 ( -3.100 1.874 -0.727) 3.695 10.786 ( -7.296 2.445 2.521) 8.098 10.873 ( 6.574 1.948 -4.975) 8.471 11.169 ( -3.984 -2.401 5.013) 6.839 11.224 ( -0.819 -2.325 0.223) 2.475 11.449 ( 2.674 -0.334 0.066) 2.696 11.507 ( -0.976 -0.712 -4.243) 4.411 11.648 ( 0.443 -5.314 4.100) 6.726 11.705 ( 0.940 -2.568 0.389) 2.762 11.820 ( 4.612 -5.568 -0.422) 7.242 11.869 ( -3.377 -4.920 -3.236) 6.789 12.147 ( 2.011 -4.305 10.284) 11.329 12.320 ( 0.465 -8.181 -3.049) 8.743 12.468 ( -0.998 0.003 -4.033) 4.155 12.523 ( -2.438 -2.552 -4.865) 6.010 12.561 ( -2.094 -0.952 -1.170) 2.580 12.580 ( -1.429 -2.071 -3.500) 4.311 12.991 ( 3.603 -2.937 2.068) 5.087 13.019 ( -2.628 -2.909 -0.999) 4.045 13.209 ( -4.672 1.754 1.232) 5.140 13.238 ( 14.633 1.090 -1.569) 14.757 13.476 ( 5.478 4.308 3.761) 7.919 13.544 ( -3.338 2.444 -3.562) 5.459 13.840 ( -2.232 0.031 -0.805) 2.373 13.853 ( -0.325 1.465 -1.809) 2.350 14.111 ( 2.045 2.087 1.796) 3.430 14.137 ( -1.945 2.273 -0.912) 3.127 14.414 ( 9.814 1.825 7.884) 12.720 14.524 ( -9.192 -0.827 -2.672) 9.608 14.595 ( -5.965 8.427 -0.299) 10.328 14.660 ( 6.861 3.972 -4.112) 8.931 14.876 ( 2.602 -1.423 0.503) 3.008 14.886 ( -1.413 -1.851 -0.829) 2.471 15.038 ( 6.705 0.218 1.045) 6.789 15.063 ( -4.276 -0.707 -1.084) 4.468 15.504 ( -3.836 8.383 3.625) 9.906 15.546 ( 2.812 7.167 -0.727) 7.733 15.955 ( 0.717 -6.836 0.945) 6.939 16.007 ( -1.499 -8.513 -3.997) 9.524 16.268 ( 5.070 4.073 5.573) 8.564 16.375 ( -5.812 1.820 -5.187) 7.999 16.471 ( -0.332 -1.953 2.831) 3.455 16.530 ( 0.968 -3.669 -2.764) 4.695 16.895 ( -0.737 0.572 2.795) 2.946 16.907 ( -2.144 1.019 1.642) 2.887 18.296 ( -0.750 0.411 0.836) 1.195 18.301 ( 0.769 0.458 0.377) 0.972 18.558 ( 4.764 -3.632 3.209) 6.796 18.617 ( -8.726 -5.077 -2.518) 10.405 19.281 ( -0.320 1.692 3.719) 4.098 19.355 ( 0.099 1.517 -3.476) 3.794 19.414 ( 0.992 -2.251 1.842) 3.073 19.453 ( -0.205 -1.216 -2.061) 2.402 25.029 ( 2.846 0.600 1.662) 3.350 25.061 ( -3.824 0.131 -1.051) 3.968 25.075 ( -1.814 0.302 0.757) 1.989 25.103 ( 2.918 -0.230 -1.571) 3.322 26.832 ( -0.767 -1.269 0.064) 1.484 26.847 ( 1.678 -1.478 -1.577) 2.737 27.003 ( -2.541 -0.307 1.698) 3.071 27.040 ( 2.622 0.205 -2.179) 3.415 27.890 ( -0.141 8.938 0.935) 8.988 27.910 ( -0.310 9.431 -1.114) 9.502 28.067 ( -0.677 0.373 1.370) 1.573 28.095 ( 0.048 0.864 -1.391) 1.639 28.441 ( 1.406 1.699 10.102) 10.340 28.592 ( -3.917 1.755 1.049) 4.418 28.626 ( 2.209 2.567 -2.122) 3.997 28.700 ( 1.227 -0.427 -2.776) 3.065 28.771 ( -1.732 0.054 -1.007) 2.004 28.785 ( 2.589 0.137 -2.192) 3.395 29.552 ( -2.134 1.007 3.305) 4.061 29.712 ( 0.356 -2.052 -12.739) 12.908 29.998 ( -2.404 0.084 6.058) 6.518 30.112 ( 2.594 -2.205 -5.250) 6.257 30.397 ( 1.742 0.378 1.317) 2.216 30.420 ( -3.208 -0.217 -0.949) 3.352 30.465 ( -0.854 0.409 -0.571) 1.106 30.467 ( 1.273 0.230 -0.591) 1.422 31.290 ( -2.215 -4.401 15.960) 16.703 31.532 ( 3.549 -12.386 -7.987) 15.159 ======================= Grid point 78 (42/54) ======================= q-point: ( 0.14 0.20 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 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 Number of triplets: 88 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.498 ( 12.294 0.831 21.679) 24.936 1.769 ( 2.633 4.061 -0.650) 4.884 2.025 ( 5.251 6.976 -6.214) 10.717 2.111 ( 9.078 4.988 6.924) 12.459 2.369 ( -5.667 13.166 -2.557) 14.560 2.497 ( 0.508 2.833 -3.435) 4.481 2.543 ( 8.979 14.722 -4.893) 17.925 2.772 ( -0.224 6.349 8.279) 10.435 2.823 ( 2.294 2.645 -9.072) 9.725 2.839 ( -6.507 2.485 -4.991) 8.569 3.080 ( 7.504 9.098 6.582) 13.506 3.094 ( 7.820 6.340 -0.221) 10.070 3.245 ( -1.068 4.849 -2.866) 5.733 3.274 ( 4.162 11.987 16.687) 20.964 3.365 ( 2.644 4.374 8.024) 9.514 3.454 ( -10.686 3.678 -7.857) 13.764 3.665 ( -1.998 -0.006 0.862) 2.176 3.765 ( 2.703 2.137 -3.450) 4.877 3.817 ( 8.715 -3.674 -5.669) 11.027 3.954 ( 3.873 -0.200 8.301) 9.163 4.003 ( 5.403 -4.728 -1.452) 7.325 4.082 ( 1.435 -2.652 2.308) 3.798 4.202 ( 4.969 -6.674 -0.292) 8.326 4.267 ( 7.260 3.228 0.753) 7.981 4.280 ( 0.002 -2.992 -4.952) 5.786 4.331 ( 0.032 -0.141 2.957) 2.960 4.395 ( 4.608 1.654 3.327) 5.919 4.461 ( 1.783 6.337 1.001) 6.658 4.536 ( 8.275 -1.442 -15.592) 17.711 4.597 ( -5.328 3.030 -2.864) 6.765 4.665 ( 6.390 -1.467 1.077) 6.644 4.815 ( -2.091 -0.327 -0.095) 2.119 4.910 ( -3.709 -2.084 6.094) 7.432 4.961 ( -4.673 3.028 0.905) 5.641 5.011 ( -6.840 1.019 4.812) 8.424 5.088 ( 1.978 -0.497 1.115) 2.324 5.108 ( -5.372 1.096 5.023) 7.436 5.257 ( 5.559 -1.030 -6.020) 8.259 5.290 ( 6.839 -5.611 3.231) 9.418 5.363 ( 1.473 -0.351 -2.307) 2.760 5.457 ( 6.677 -3.609 -3.344) 8.294 5.503 ( 4.394 -0.795 -0.091) 4.466 5.572 ( 5.800 0.513 -0.608) 5.854 5.639 ( 4.331 0.500 5.180) 6.770 5.711 ( 1.515 8.024 -1.717) 8.345 5.791 ( 9.287 4.457 -3.460) 10.866 5.908 ( -3.366 4.643 -4.304) 7.170 5.948 ( 2.051 2.964 -4.393) 5.682 5.998 ( -6.056 0.936 -3.492) 7.053 6.233 ( 1.141 4.145 2.232) 4.844 6.274 ( 3.622 -1.187 -2.222) 4.412 6.315 ( -0.594 1.503 6.221) 6.428 6.562 ( -6.349 -2.721 2.081) 7.215 6.655 ( -5.601 -5.546 -2.002) 8.133 6.670 ( -5.140 -0.075 -5.753) 7.715 6.718 ( -8.079 -9.307 -3.576) 12.833 6.864 ( -4.036 2.390 4.427) 6.450 6.905 ( 2.490 -6.453 3.440) 7.725 7.057 ( -4.461 -3.510 4.407) 7.187 7.160 ( -1.526 -6.630 0.051) 6.804 7.195 ( -4.781 3.721 1.632) 6.274 7.315 ( 4.976 0.215 -6.945) 8.546 7.393 ( -1.133 -4.063 -0.288) 4.228 7.416 ( -4.114 -3.616 -4.775) 7.266 7.436 ( 4.983 -2.233 -2.566) 6.033 7.657 ( -1.802 -1.571 1.900) 3.054 7.713 ( -0.623 -0.981 2.367) 2.637 7.752 ( 3.495 0.592 -3.096) 4.706 7.877 ( -4.553 -0.165 -1.443) 4.779 7.957 ( -0.697 -1.113 5.292) 5.452 8.047 ( 3.927 -5.397 1.297) 6.800 8.151 ( -3.679 -5.200 -0.991) 6.446 8.186 ( -0.445 4.231 3.613) 5.581 8.246 ( -7.640 0.010 3.892) 8.574 8.410 ( -1.602 -0.037 -2.574) 3.032 8.520 ( -1.952 -2.418 2.852) 4.218 8.573 ( 6.451 -6.636 -3.847) 10.023 8.587 ( 3.884 -1.824 -0.007) 4.291 8.649 ( -3.627 0.497 -1.021) 3.801 8.674 ( -1.600 3.464 2.644) 4.643 8.771 ( -6.328 0.565 -2.826) 6.954 8.890 ( 0.038 1.818 1.884) 2.618 9.091 ( -4.401 5.368 -1.470) 7.095 9.228 ( -1.996 -0.695 -5.709) 6.088 9.278 ( 0.934 -1.381 9.479) 9.624 9.358 ( -4.877 -7.137 2.652) 9.042 9.449 ( 1.195 -0.632 0.953) 1.654 9.526 ( 0.903 -4.892 -0.815) 5.040 9.613 ( 0.494 2.956 1.367) 3.294 9.828 ( 3.844 1.146 1.094) 4.158 9.923 ( -6.516 5.815 -0.190) 8.735 9.990 ( -0.065 3.465 2.272) 4.143 10.049 ( -3.469 5.058 -2.250) 6.533 10.109 ( 5.350 5.515 0.639) 7.710 10.298 ( -4.742 -4.733 -3.184) 7.418 10.400 ( -5.951 1.566 1.098) 6.250 10.477 ( 2.910 -1.929 -0.859) 3.595 10.517 ( -0.302 2.796 -0.293) 2.827 10.551 ( -4.190 6.464 3.170) 8.330 10.616 ( 4.287 -1.051 0.785) 4.484 10.799 ( 8.106 0.176 -2.717) 8.551 10.948 ( -0.598 0.714 -0.062) 0.934 10.993 ( -11.813 -1.309 4.293) 12.636 11.085 ( -7.270 -1.772 -0.080) 7.483 11.365 ( -7.319 0.223 -3.497) 8.114 11.455 ( -4.751 -0.579 -1.060) 4.902 11.602 ( -4.012 -3.832 4.143) 6.924 11.686 ( -9.844 -1.741 -7.415) 12.446 11.759 ( -0.062 -5.393 0.647) 5.432 11.854 ( -0.189 -4.259 -0.535) 4.296 12.142 ( -3.940 -5.574 7.932) 10.464 12.258 ( -4.363 -7.428 -3.129) 9.165 12.440 ( -3.276 -1.300 -1.009) 3.666 12.448 ( -1.331 0.768 -2.450) 2.892 12.535 ( -0.694 -1.344 1.025) 1.828 12.608 ( 2.841 -1.821 1.286) 3.611 12.980 ( -6.704 4.445 -2.306) 8.368 13.041 ( 2.537 5.673 1.623) 6.423 13.195 ( -2.161 -3.578 -5.796) 7.146 13.387 ( 1.624 -3.099 -2.602) 4.360 13.572 ( 9.695 1.803 -3.938) 10.618 13.604 ( 12.085 2.474 -1.507) 12.428 13.948 ( 5.062 -2.698 3.150) 6.544 14.051 ( 4.830 -3.531 -2.050) 6.325 14.127 ( 7.554 1.658 0.397) 7.744 14.229 ( 9.195 0.213 1.320) 9.292 14.373 ( 1.607 1.368 -0.943) 2.312 14.556 ( 3.191 5.039 -5.548) 8.146 14.617 ( 9.773 11.633 4.061) 15.727 14.794 ( -1.620 0.867 -1.642) 2.464 14.837 ( 0.982 -5.698 -1.856) 6.073 14.951 ( 2.649 -0.747 1.588) 3.177 15.100 ( 14.912 -5.876 0.265) 16.030 15.300 ( 10.587 0.516 -8.149) 13.370 15.463 ( -0.081 7.054 4.001) 8.110 15.630 ( 4.882 1.045 1.842) 5.322 15.994 ( 4.618 -4.420 -2.297) 6.793 16.060 ( 4.588 -1.447 -2.432) 5.390 16.184 ( -7.261 0.250 0.207) 7.268 16.422 ( 5.443 4.599 -0.133) 7.127 16.467 ( -1.398 -0.084 1.844) 2.316 16.619 ( 10.350 -7.654 -3.217) 13.269 16.891 ( 1.063 0.953 3.434) 3.719 16.922 ( 2.079 1.092 4.568) 5.136 18.250 ( -4.921 -0.065 1.846) 5.256 18.303 ( -0.546 0.415 -0.258) 0.732 18.382 ( -9.165 2.210 0.480) 9.439 18.641 ( -0.407 -5.412 4.969) 7.359 19.193 ( -8.212 1.482 3.116) 8.908 19.253 ( -9.483 1.108 -2.280) 9.816 19.371 ( -5.977 -1.568 -1.614) 6.387 19.388 ( -4.270 -1.340 -0.534) 4.507 24.989 ( -1.005 1.762 1.879) 2.765 25.023 ( -0.407 2.003 -2.677) 3.368 25.210 ( 10.441 -3.253 2.877) 11.308 25.294 ( 13.396 -6.047 -4.400) 15.342 26.815 ( -0.772 -0.811 -0.650) 1.294 26.869 ( 0.527 -0.731 -1.990) 2.184 26.943 ( -3.259 0.613 1.410) 3.603 27.068 ( 0.073 1.097 -2.279) 2.531 27.876 ( -0.837 8.587 1.226) 8.715 27.912 ( 0.610 9.537 -0.394) 9.565 28.087 ( 2.258 0.413 2.164) 3.155 28.136 ( 3.429 1.808 -0.951) 3.991 28.448 ( -1.013 2.270 10.943) 11.221 28.542 ( -0.674 1.125 -2.521) 2.842 28.699 ( 4.491 -0.562 -4.617) 6.465 28.756 ( 5.999 2.912 -2.474) 7.112 28.839 ( 7.100 -0.584 1.050) 7.201 28.913 ( 10.171 -1.213 -2.798) 10.618 29.476 ( -5.299 1.648 7.382) 9.235 29.682 ( -2.973 -2.059 -10.388) 10.999 29.825 ( -11.629 0.095 5.615) 12.914 29.989 ( -12.095 -4.124 -6.104) 14.162 30.358 ( -3.484 1.855 -0.151) 3.949 30.423 ( 2.463 -0.128 2.001) 3.176 30.546 ( 5.557 0.687 0.532) 5.625 30.612 ( 8.927 0.966 -1.615) 9.123 31.141 ( -12.561 -3.694 13.180) 18.578 31.439 ( -10.669 -11.222 -7.007) 16.995 ======================= Grid point 79 (43/54) ======================= q-point: ( 0.29 0.20 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 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 Number of triplets: 88 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.736 ( 6.422 2.112 3.218) 7.488 1.855 ( 4.192 4.008 4.993) 7.653 2.081 ( -4.443 4.887 2.644) 7.114 2.252 ( 11.939 -1.416 3.110) 12.418 2.316 ( 6.801 15.936 6.184) 18.397 2.470 ( -6.917 3.496 -2.489) 8.140 2.618 ( -6.322 0.697 3.013) 7.038 2.691 ( -0.584 12.659 6.455) 14.222 2.819 ( 11.174 9.043 -6.653) 15.840 2.961 ( 6.733 12.512 -15.711) 21.183 3.029 ( -6.538 6.164 -4.116) 9.884 3.148 ( -3.204 9.526 -1.931) 10.234 3.232 ( 5.312 0.132 2.356) 5.813 3.367 ( 3.158 -1.207 -10.354) 10.892 3.401 ( -7.452 0.276 5.450) 9.237 3.649 ( 17.915 -0.808 10.101) 20.582 3.712 ( 3.715 1.613 -6.431) 7.600 3.774 ( -5.146 3.625 -4.326) 7.638 3.842 ( 1.253 -3.074 9.496) 10.060 3.951 ( 2.961 -2.754 -0.126) 4.045 4.018 ( -1.900 0.573 -7.563) 7.819 4.116 ( -5.690 -0.381 -5.603) 7.995 4.183 ( -3.876 -5.693 2.729) 7.408 4.247 ( 0.586 1.331 -0.795) 1.657 4.394 ( 7.426 -0.442 -2.958) 8.005 4.454 ( 6.955 -0.781 1.422) 7.142 4.537 ( 3.743 6.265 3.843) 8.248 4.547 ( 3.652 1.816 3.021) 5.076 4.643 ( -2.988 2.841 5.691) 7.028 4.747 ( 1.856 -1.059 1.739) 2.755 4.756 ( 14.573 -0.488 5.796) 15.691 4.814 ( 2.079 5.355 -0.188) 5.748 4.858 ( 6.877 0.412 -2.946) 7.492 4.900 ( 4.219 -5.472 -1.011) 6.983 4.958 ( 11.365 1.185 5.991) 12.902 5.049 ( -2.824 3.252 7.538) 8.682 5.161 ( 3.223 -3.023 0.980) 4.527 5.304 ( -3.335 -1.306 0.279) 3.593 5.363 ( 2.175 0.124 -10.289) 10.517 5.407 ( 0.209 0.498 -3.783) 3.822 5.528 ( -8.292 0.124 -2.857) 8.772 5.615 ( 3.097 5.532 2.791) 6.927 5.643 ( 7.419 2.370 3.261) 8.443 5.717 ( 8.790 -3.628 -3.544) 10.148 5.785 ( -1.786 -1.306 0.001) 2.213 5.863 ( 6.811 0.607 2.204) 7.185 5.951 ( 11.086 1.677 0.022) 11.212 6.032 ( 11.458 0.629 -4.802) 12.440 6.115 ( 6.276 0.433 0.403) 6.304 6.219 ( -0.405 -0.528 0.913) 1.130 6.298 ( -5.406 -2.785 1.855) 6.357 6.344 ( 6.414 5.873 2.581) 9.072 6.395 ( -9.591 -3.202 -2.610) 10.443 6.442 ( -10.444 -0.571 0.330) 10.465 6.602 ( -0.362 -13.335 0.811) 13.364 6.675 ( -1.127 0.205 -4.416) 4.562 6.807 ( -0.887 3.607 0.203) 3.720 6.847 ( -7.745 -8.335 -0.107) 11.379 7.012 ( 0.630 -0.401 7.751) 7.787 7.093 ( -5.193 3.073 5.457) 8.136 7.139 ( -2.273 -5.121 1.649) 5.840 7.229 ( -7.444 3.664 0.047) 8.297 7.336 ( -1.720 -1.460 -9.368) 9.635 7.439 ( 1.341 -6.719 -2.865) 7.426 7.538 ( -1.885 -0.309 -2.321) 3.006 7.590 ( -5.521 -3.018 0.510) 6.313 7.633 ( -2.473 -2.033 3.673) 4.872 7.741 ( -5.160 -4.745 -2.243) 7.360 7.829 ( -2.267 3.389 0.853) 4.166 7.958 ( -1.239 -1.504 3.476) 3.985 8.037 ( -6.433 -0.564 -1.533) 6.637 8.105 ( -2.163 0.446 0.128) 2.212 8.144 ( 0.873 -0.639 3.468) 3.633 8.170 ( 0.670 -1.772 1.736) 2.570 8.348 ( -2.759 -2.302 -2.461) 4.355 8.455 ( -2.910 -0.798 -0.461) 3.052 8.539 ( -7.315 -0.199 -6.136) 9.550 8.557 ( -5.676 -1.048 1.165) 5.888 8.636 ( -2.263 1.839 -0.892) 3.049 8.696 ( 2.011 -2.451 -1.679) 3.587 8.759 ( 5.672 -0.144 1.990) 6.013 8.921 ( 4.058 0.602 1.611) 4.408 9.047 ( 0.084 5.922 -1.802) 6.191 9.177 ( -2.024 -5.086 -2.351) 5.958 9.256 ( -4.511 -4.166 4.209) 7.445 9.331 ( 2.690 3.066 5.931) 7.198 9.415 ( -8.297 -7.901 -4.327) 12.247 9.494 ( 1.963 -4.712 1.659) 5.368 9.687 ( 2.564 4.277 1.947) 5.354 9.807 ( -4.363 6.860 0.834) 8.173 9.860 ( -1.268 3.094 -1.691) 3.747 10.011 ( 2.496 0.287 4.450) 5.110 10.057 ( 3.800 2.093 0.680) 4.391 10.194 ( 1.223 3.928 -4.373) 6.004 10.221 ( -1.275 -2.566 -1.303) 3.148 10.284 ( -3.716 2.210 3.784) 5.745 10.431 ( -6.730 5.349 3.632) 9.332 10.500 ( -0.969 5.951 -3.115) 6.787 10.546 ( 3.862 -2.504 -1.191) 4.754 10.690 ( 1.199 -3.468 -2.084) 4.220 10.761 ( -6.869 -0.360 4.671) 8.315 10.785 ( -7.025 -2.749 1.828) 7.762 11.043 ( 7.312 -2.061 -2.348) 7.952 11.084 ( 4.332 0.565 -2.595) 5.081 11.272 ( -1.182 0.274 -4.031) 4.209 11.370 ( -4.752 -0.298 -2.609) 5.429 11.464 ( -7.412 3.428 -2.554) 8.557 11.518 ( -4.111 -2.046 3.350) 5.684 11.758 ( -2.095 -7.192 -0.267) 7.495 11.843 ( -0.291 -2.877 -2.309) 3.700 12.009 ( -8.342 -3.222 2.565) 9.303 12.154 ( -8.062 -2.618 2.834) 8.938 12.389 ( -2.929 -3.813 2.548) 5.442 12.409 ( -2.395 3.470 -4.565) 6.214 12.535 ( 0.294 -2.032 0.732) 2.180 12.663 ( 2.081 2.355 0.670) 3.214 12.804 ( -7.263 2.259 2.976) 8.167 12.987 ( -5.687 -1.766 -3.630) 6.974 13.208 ( 4.984 3.648 -2.297) 6.589 13.413 ( -4.270 -3.026 -3.844) 6.494 13.749 ( 8.253 -0.822 -2.439) 8.645 13.816 ( 8.314 1.501 -2.407) 8.785 14.017 ( -0.367 0.583 4.012) 4.070 14.048 ( -0.694 -2.696 -1.675) 3.249 14.338 ( 13.889 -1.716 2.198) 14.167 14.423 ( 13.593 3.878 1.508) 14.216 14.503 ( 6.782 -4.348 -0.809) 8.097 14.699 ( 8.028 2.969 -1.579) 8.704 14.790 ( 4.513 4.815 -2.840) 7.185 14.794 ( 1.800 1.652 -2.230) 3.308 14.916 ( 11.083 -0.727 -0.740) 11.132 15.061 ( 6.182 0.532 2.561) 6.713 15.270 ( 1.808 1.797 3.599) 4.410 15.369 ( -1.016 3.919 -4.361) 5.951 15.605 ( 12.013 -1.115 2.657) 12.354 15.661 ( -0.687 -5.720 6.217) 8.476 15.970 ( -8.796 -2.298 -1.834) 9.274 16.104 ( 4.354 -8.745 -0.918) 9.812 16.203 ( 4.427 6.560 -7.118) 10.644 16.411 ( -3.890 -0.544 1.031) 4.060 16.585 ( 10.785 2.267 -1.489) 11.121 16.868 ( 12.680 -3.497 -4.949) 14.054 16.909 ( -0.299 1.830 2.810) 3.367 16.972 ( 2.735 1.229 4.354) 5.287 18.132 ( -4.678 2.706 1.005) 5.497 18.271 ( -4.413 2.792 0.927) 5.304 18.285 ( -0.978 -0.636 -2.152) 2.447 18.552 ( -8.411 -4.109 3.679) 10.058 19.006 ( -9.840 0.613 2.194) 10.100 19.042 ( -10.669 0.423 -1.865) 10.839 19.244 ( -5.224 -0.855 -0.040) 5.294 19.309 ( -3.607 -1.876 -1.838) 4.462 24.992 ( 0.664 2.592 2.997) 4.018 25.034 ( 1.374 2.564 -3.918) 4.879 25.416 ( 9.655 -8.240 5.119) 13.687 25.550 ( 11.710 -13.084 -7.552) 19.114 26.806 ( -0.067 0.418 -0.835) 0.936 26.861 ( -1.559 0.623 -0.287) 1.704 26.897 ( -0.803 3.265 -0.383) 3.384 27.042 ( -2.477 2.357 -2.170) 4.050 27.872 ( 0.481 9.245 1.564) 9.389 27.930 ( 0.946 10.512 -0.017) 10.554 28.132 ( 1.938 0.412 2.153) 2.926 28.193 ( 1.743 3.373 -0.637) 3.850 28.433 ( -0.304 1.569 11.479) 11.590 28.563 ( 2.773 -0.211 -5.402) 6.076 28.809 ( 7.338 -1.227 -6.771) 10.060 28.911 ( 7.947 -0.163 -0.935) 8.004 28.950 ( 2.418 2.781 5.194) 6.368 29.156 ( 13.775 -2.370 -3.947) 14.523 29.430 ( 2.968 0.136 8.085) 8.614 29.584 ( -7.487 -2.947 -1.674) 8.218 29.622 ( -9.036 -0.214 -0.405) 9.048 29.749 ( -9.345 -3.163 -6.975) 12.082 30.252 ( -8.368 2.505 1.443) 8.853 30.429 ( -5.250 -1.638 0.899) 5.573 30.601 ( 0.125 1.842 3.776) 4.203 30.742 ( 3.234 3.301 -4.188) 6.236 30.920 ( -5.980 -4.912 9.435) 12.203 31.222 ( -9.135 -8.179 -5.832) 13.578 ======================= Grid point 80 (44/54) ======================= q-point: ( 0.43 0.20 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 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 Number of triplets: 88 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.778 ( -3.451 8.676 10.544) 14.084 1.832 ( 2.695 8.008 1.714) 8.621 2.057 ( 1.611 2.659 -8.062) 8.640 2.189 ( -14.868 2.917 1.446) 15.221 2.500 ( 7.806 8.059 -1.971) 11.391 2.532 ( 8.781 -4.760 2.371) 10.266 2.704 ( 12.114 7.338 3.624) 14.619 2.783 ( 7.230 5.346 12.410) 15.325 2.906 ( 0.958 6.615 -1.523) 6.856 3.026 ( -0.344 11.888 -1.863) 12.038 3.076 ( 5.785 8.791 -5.640) 11.939 3.089 ( 2.753 12.505 -12.730) 18.056 3.124 ( -14.941 1.723 2.464) 15.240 3.271 ( -5.277 1.041 5.418) 7.634 3.397 ( 0.406 6.412 -9.816) 11.732 3.522 ( -14.333 6.234 -4.989) 16.407 3.763 ( 4.266 -2.292 -6.451) 8.066 3.858 ( -1.685 0.102 -1.356) 2.166 3.900 ( 3.982 -4.259 3.218) 6.660 4.011 ( -2.416 -7.693 -1.335) 8.173 4.033 ( 1.071 3.234 -0.556) 3.452 4.089 ( 0.565 -5.206 -3.373) 6.229 4.172 ( 11.271 -2.835 -4.213) 12.362 4.291 ( 3.700 -3.998 1.179) 5.573 4.440 ( -3.282 -1.171 5.391) 6.419 4.448 ( -3.625 -1.617 -0.270) 3.978 4.494 ( -1.711 0.868 4.486) 4.879 4.653 ( -0.574 2.585 3.512) 4.399 4.688 ( 13.233 7.291 -2.040) 15.246 4.720 ( -3.967 1.434 7.391) 8.510 4.814 ( 6.028 -3.741 1.194) 7.194 4.898 ( -11.108 -1.922 2.919) 11.645 4.934 ( 1.790 -0.083 1.825) 2.558 5.068 ( -4.396 1.888 -2.799) 5.543 5.147 ( 7.146 -1.497 -0.305) 7.308 5.169 ( 1.742 -2.288 2.852) 4.050 5.222 ( 11.931 -3.607 -3.147) 12.855 5.291 ( 4.977 -2.178 1.896) 5.754 5.335 ( -1.053 0.468 1.585) 1.960 5.430 ( 1.494 3.032 -4.927) 5.975 5.472 ( 5.675 5.594 -0.365) 7.977 5.658 ( -9.043 4.770 0.752) 10.252 5.684 ( 1.449 -3.827 0.909) 4.192 5.798 ( 6.714 2.470 -0.372) 7.164 5.854 ( -0.723 3.495 4.493) 5.738 5.952 ( 1.886 -1.753 3.399) 4.265 6.034 ( -4.157 -1.084 7.071) 8.273 6.111 ( -4.371 1.010 4.402) 6.285 6.140 ( -3.670 -2.041 2.985) 5.152 6.191 ( -1.308 -3.682 -4.171) 5.715 6.279 ( 8.828 1.809 -5.691) 10.658 6.338 ( 6.796 3.235 -6.633) 10.032 6.427 ( 8.596 -0.002 2.293) 8.897 6.577 ( -1.560 -5.086 3.518) 6.378 6.613 ( 10.313 -1.830 -2.343) 10.733 6.662 ( 3.525 -4.767 2.652) 6.494 6.774 ( 2.967 -1.136 -4.416) 5.440 6.806 ( -0.879 -0.773 1.209) 1.683 6.925 ( -10.567 2.610 2.010) 11.068 7.010 ( -3.685 -1.054 5.628) 6.809 7.099 ( -0.518 -0.321 3.015) 3.076 7.179 ( 2.399 4.444 1.564) 5.287 7.302 ( -6.582 -2.188 -0.497) 6.954 7.338 ( -0.148 -1.033 -0.684) 1.248 7.454 ( -12.355 0.137 -6.060) 13.762 7.517 ( -2.456 -3.356 2.677) 4.946 7.530 ( -1.971 -2.423 0.038) 3.124 7.667 ( -5.149 -5.797 -3.188) 8.384 7.750 ( 0.537 3.316 -1.501) 3.679 7.896 ( -4.512 -1.481 0.064) 4.749 7.980 ( -0.526 -6.566 0.471) 6.604 8.035 ( -2.138 -2.605 -0.742) 3.451 8.164 ( -0.291 3.837 2.570) 4.627 8.222 ( 3.893 -4.939 -2.257) 6.681 8.351 ( 0.687 -3.152 -1.850) 3.718 8.386 ( -5.739 0.384 -4.433) 7.262 8.441 ( 0.448 -0.060 -2.659) 2.697 8.475 ( -2.668 -1.253 -1.221) 3.191 8.615 ( 0.674 -0.185 0.792) 1.056 8.688 ( -1.103 -0.402 -2.530) 2.789 8.877 ( 5.648 3.766 3.537) 7.654 8.975 ( -0.278 2.204 1.196) 2.523 9.083 ( 2.866 1.122 -0.145) 3.081 9.129 ( -3.530 -2.230 2.092) 4.671 9.197 ( -1.044 -3.151 0.913) 3.442 9.249 ( -5.517 -5.158 -3.551) 8.346 9.406 ( 3.846 -3.027 2.489) 5.491 9.505 ( -1.125 -5.033 -0.378) 5.171 9.689 ( -1.301 0.786 3.071) 3.427 9.762 ( -0.853 2.081 -1.813) 2.889 9.853 ( 2.402 5.988 1.593) 6.646 10.010 ( -3.414 1.210 1.181) 3.810 10.151 ( 3.126 1.449 5.697) 6.658 10.210 ( 2.343 3.478 -2.695) 4.985 10.233 ( 1.760 0.991 1.537) 2.538 10.259 ( -1.747 4.431 1.644) 5.038 10.323 ( -1.460 0.968 -0.650) 1.869 10.466 ( -2.661 5.220 -5.416) 7.979 10.627 ( 2.479 -3.499 -0.825) 4.367 10.659 ( -0.008 -0.499 -0.619) 0.795 10.701 ( -3.032 -1.269 1.591) 3.651 10.707 ( -0.467 -2.013 -2.912) 3.571 11.085 ( 0.140 -1.221 -1.667) 2.071 11.187 ( -6.458 0.119 -4.951) 8.138 11.238 ( 6.660 -4.404 3.587) 8.753 11.319 ( 2.350 -3.107 -1.617) 4.218 11.421 ( -0.834 -0.700 1.773) 2.081 11.539 ( 2.183 1.054 0.103) 2.427 11.672 ( -1.236 0.041 -0.804) 1.475 11.856 ( -7.480 0.622 0.367) 7.515 11.887 ( 4.907 -0.258 -4.384) 6.585 11.940 ( -12.021 1.996 6.070) 13.613 12.300 ( -5.608 -2.195 4.796) 7.699 12.380 ( 0.437 2.695 -7.561) 8.038 12.557 ( 2.231 -5.572 3.132) 6.770 12.646 ( -2.668 3.683 -1.917) 4.935 12.775 ( 1.439 -1.676 7.324) 7.650 12.941 ( 0.065 -3.798 -6.320) 7.373 13.254 ( 0.098 1.825 -0.305) 1.853 13.312 ( -3.529 -0.171 -2.876) 4.556 13.843 ( 1.363 -0.894 0.437) 1.687 13.887 ( -0.908 0.664 -0.323) 1.170 14.025 ( 3.096 0.124 -2.052) 3.717 14.047 ( 0.020 -0.771 -0.961) 1.232 14.581 ( 8.652 -3.192 0.180) 9.224 14.612 ( 3.607 -3.762 1.723) 5.489 14.665 ( 8.142 1.513 2.326) 8.602 14.801 ( 0.704 -0.071 -1.661) 1.806 14.811 ( 0.864 4.410 2.681) 5.233 14.883 ( 5.219 0.454 -6.696) 8.502 15.096 ( 5.283 -1.193 -3.224) 6.302 15.121 ( -1.663 0.124 2.155) 2.725 15.272 ( -0.941 6.528 5.459) 8.562 15.346 ( 0.217 5.468 -2.642) 6.076 15.590 ( -1.245 1.428 9.403) 9.592 15.807 ( -4.995 -4.822 -5.409) 8.801 15.888 ( 9.983 -0.322 7.933) 12.755 16.152 ( -0.900 -7.050 -1.939) 7.367 16.267 ( 2.005 -1.889 -4.033) 4.884 16.332 ( -2.672 -2.851 -2.390) 4.580 16.775 ( 7.278 4.258 -0.102) 8.433 16.868 ( -3.317 3.421 1.345) 4.951 17.001 ( 0.885 1.835 4.692) 5.115 17.061 ( 5.498 -0.522 -5.828) 8.029 18.104 ( 1.651 2.993 0.528) 3.459 18.176 ( -5.034 2.248 1.158) 5.633 18.288 ( 2.212 -1.410 -3.108) 4.066 18.369 ( -8.762 -1.755 0.774) 8.970 18.856 ( -4.781 0.528 2.053) 5.230 18.892 ( -3.598 -0.085 -2.740) 4.523 19.188 ( -0.864 -1.131 2.207) 2.627 19.259 ( -1.313 -2.443 -3.566) 4.518 25.001 ( -0.020 2.941 3.213) 4.356 25.062 ( 1.313 2.916 -4.231) 5.304 25.556 ( 3.937 -12.295 6.469) 14.440 25.708 ( 4.404 -16.603 -8.491) 19.161 26.802 ( -0.819 2.254 1.404) 2.779 26.834 ( -0.133 2.021 -2.154) 2.957 26.908 ( 1.458 4.048 0.140) 4.305 26.982 ( -3.169 3.383 -2.278) 5.165 27.895 ( 1.529 10.595 1.736) 10.845 27.939 ( -0.090 11.395 -0.723) 11.418 28.160 ( 0.872 1.482 2.252) 2.833 28.198 ( -0.690 2.809 -0.465) 2.930 28.449 ( 1.038 1.180 11.138) 11.248 28.625 ( 2.960 -1.421 -7.090) 7.813 28.866 ( -6.616 1.051 11.850) 13.612 28.968 ( 8.715 -1.880 -10.200) 13.547 29.112 ( 10.170 0.352 -0.595) 10.194 29.356 ( -9.351 -3.909 -1.990) 10.329 29.375 ( 4.051 -2.068 -6.119) 7.624 29.431 ( -8.228 -0.994 0.138) 8.289 29.661 ( 13.597 -0.547 4.215) 14.246 29.733 ( 7.419 -0.023 -0.411) 7.430 30.036 ( -11.947 0.812 2.781) 12.293 30.178 ( -16.249 -1.850 -0.644) 16.367 30.617 ( 1.178 1.716 5.479) 5.861 30.747 ( -0.675 0.718 -5.067) 5.162 30.926 ( 2.401 -2.878 6.372) 7.393 31.106 ( -3.374 -5.196 -5.961) 8.597 ======================= Grid point 81 (45/54) ======================= q-point: (-0.43 0.20 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 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 Number of triplets: 88 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.717 ( -0.540 6.360 9.727) 11.634 1.961 ( 2.161 8.333 -0.885) 8.654 2.001 ( 0.831 3.423 0.346) 3.539 2.178 ( 8.585 3.373 -5.713) 10.850 2.509 ( -5.624 1.256 1.077) 5.862 2.563 ( -0.957 -0.309 -0.911) 1.357 2.750 ( -15.870 7.933 9.964) 20.349 2.775 ( -4.719 10.207 1.457) 11.339 2.887 ( -5.593 11.971 -3.538) 13.679 2.967 ( -6.464 10.339 2.022) 12.359 3.030 ( 6.551 4.759 -1.052) 8.165 3.136 ( -7.131 3.398 -8.621) 11.693 3.203 ( 4.645 9.742 1.424) 10.887 3.246 ( 9.193 1.186 -8.177) 12.361 3.328 ( 12.188 0.127 1.087) 12.237 3.609 ( 12.987 11.404 -11.330) 20.666 3.700 ( -8.055 -1.689 1.382) 8.345 3.786 ( -4.468 0.282 0.960) 4.578 3.957 ( -1.444 -0.804 0.169) 1.661 4.003 ( -3.118 -8.916 -1.253) 9.528 4.059 ( 4.331 0.839 -0.606) 4.453 4.110 ( -0.417 -2.549 -3.165) 4.085 4.125 ( -4.056 -6.086 -4.818) 8.758 4.355 ( -4.514 -4.714 -4.432) 7.889 4.420 ( 2.591 3.493 2.535) 5.034 4.499 ( -3.436 0.051 2.816) 4.443 4.508 ( 0.435 -1.761 -0.182) 1.823 4.616 ( 5.836 -0.355 10.040) 11.619 4.658 ( -7.010 -2.878 7.928) 10.967 4.720 ( -1.314 1.940 -4.518) 5.089 4.799 ( -2.393 -2.812 2.162) 4.279 4.933 ( 1.083 0.937 2.487) 2.870 4.962 ( -0.332 -0.675 1.449) 1.633 5.034 ( -8.014 3.805 -0.743) 8.902 5.066 ( 2.721 0.294 1.779) 3.264 5.172 ( -1.176 1.242 10.041) 10.186 5.188 ( -9.106 -3.480 -2.549) 10.076 5.303 ( -2.284 1.873 2.240) 3.707 5.330 ( -7.724 4.710 3.685) 9.769 5.413 ( -7.079 3.066 2.626) 8.149 5.425 ( 2.006 -1.171 -3.583) 4.270 5.644 ( 3.736 3.140 -3.229) 5.851 5.698 ( -2.703 -1.895 -2.201) 3.968 5.841 ( 8.107 -1.199 8.164) 11.567 5.877 ( -0.780 0.594 -1.950) 2.183 5.938 ( -4.054 -3.962 1.727) 5.926 6.050 ( -2.857 -1.736 6.606) 7.404 6.075 ( -0.248 4.798 -1.806) 5.133 6.127 ( 6.666 -1.395 5.595) 8.813 6.214 ( -2.655 -3.760 -5.339) 7.049 6.241 ( -1.846 0.139 -2.996) 3.522 6.417 ( -10.510 -2.833 -6.194) 12.524 6.507 ( -11.801 -1.608 6.226) 13.439 6.527 ( 2.989 2.976 -6.974) 8.151 6.630 ( 4.538 2.511 -0.931) 5.269 6.729 ( 0.483 -2.295 -0.573) 2.414 6.746 ( -7.948 -4.934 -3.168) 9.876 6.817 ( 0.875 1.310 1.065) 1.901 6.994 ( 10.751 -2.659 2.842) 11.433 6.999 ( 8.378 2.203 -2.466) 9.007 7.112 ( 0.655 -0.502 5.513) 5.575 7.163 ( -4.018 -2.626 -2.940) 5.628 7.269 ( 4.552 0.718 2.334) 5.165 7.328 ( 6.120 4.210 3.865) 8.374 7.371 ( -1.441 3.474 -1.465) 4.037 7.554 ( 8.537 0.916 -3.269) 9.187 7.574 ( -0.566 -6.394 -1.681) 6.635 7.594 ( 5.217 -3.249 4.224) 7.457 7.786 ( -3.453 -1.971 -2.708) 4.810 7.857 ( 6.685 -2.792 1.406) 7.380 8.017 ( 0.540 -5.234 -1.049) 5.365 8.026 ( 2.741 -5.556 -0.649) 6.230 8.147 ( -0.432 -0.341 3.515) 3.557 8.252 ( 0.852 0.259 -5.856) 5.923 8.348 ( 0.323 -2.871 -2.763) 3.998 8.374 ( 2.843 -2.494 -0.072) 3.783 8.447 ( 0.045 1.264 -2.729) 3.008 8.464 ( 1.825 0.127 -1.433) 2.323 8.625 ( -0.731 -0.838 0.998) 1.494 8.689 ( 1.876 -0.085 -3.388) 3.874 8.882 ( -4.431 3.337 2.358) 6.027 8.995 ( 1.441 6.623 0.761) 6.821 9.044 ( -3.989 -0.089 0.972) 4.107 9.164 ( 5.771 -2.690 2.134) 6.715 9.200 ( -0.919 -5.226 -1.731) 5.581 9.225 ( 2.824 -4.083 -0.843) 5.036 9.429 ( -1.179 -3.545 0.902) 3.843 9.516 ( 2.453 -5.643 -2.565) 6.666 9.675 ( -0.139 0.594 4.550) 4.591 9.761 ( 1.019 -0.676 -2.416) 2.707 9.904 ( -2.700 4.708 0.537) 5.454 9.959 ( 3.832 5.667 2.255) 7.204 10.133 ( -2.733 1.524 5.693) 6.496 10.197 ( -2.976 0.379 1.241) 3.247 10.228 ( -2.502 1.019 -0.168) 2.707 10.302 ( 4.950 6.324 1.993) 8.274 10.357 ( -2.860 1.966 -2.208) 4.113 10.428 ( 4.531 4.468 -5.693) 8.539 10.614 ( -4.604 -1.587 -0.179) 4.873 10.645 ( -0.873 -1.211 0.350) 1.534 10.708 ( 6.321 -1.787 -2.583) 7.059 10.765 ( 4.242 -3.025 -3.744) 6.416 11.062 ( -2.127 -0.393 0.979) 2.374 11.138 ( 1.900 1.349 -1.347) 2.691 11.231 ( -6.047 -1.457 5.800) 8.504 11.308 ( -6.778 -5.261 -2.692) 8.992 11.478 ( 4.946 -4.379 1.985) 6.898 11.536 ( 3.231 -3.021 -4.847) 6.562 11.671 ( -6.273 2.569 0.079) 6.779 11.779 ( 0.926 1.507 5.543) 5.818 11.849 ( 6.370 2.200 0.852) 6.793 12.039 ( 9.024 1.417 -3.107) 9.648 12.229 ( 0.031 2.946 6.985) 7.581 12.423 ( 3.697 -0.532 -6.659) 7.635 12.596 ( -2.234 -1.210 -2.399) 3.494 12.617 ( 3.098 -0.967 2.321) 3.990 12.780 ( -0.354 -1.390 8.022) 8.149 12.939 ( -0.687 -3.952 -7.599) 8.593 13.260 ( 1.600 0.727 0.937) 1.991 13.303 ( 1.215 0.555 -3.619) 3.857 13.805 ( -2.885 -0.367 3.092) 4.245 13.869 ( -2.973 0.127 2.190) 3.695 14.020 ( -1.580 -1.379 -2.109) 2.974 14.090 ( 2.207 -0.225 -4.190) 4.741 14.560 ( -8.217 -0.686 1.888) 8.458 14.633 ( -3.521 -4.529 0.399) 5.750 14.716 ( -5.913 0.784 -0.259) 5.970 14.751 ( -2.599 -0.173 -0.238) 2.615 14.816 ( -2.437 0.852 0.158) 2.587 14.890 ( -4.383 3.212 -4.371) 6.974 15.021 ( -5.075 0.385 2.992) 5.904 15.165 ( -0.379 -2.678 -1.192) 2.955 15.242 ( 0.953 4.466 6.054) 7.583 15.347 ( -2.899 8.748 -0.915) 9.261 15.626 ( 4.399 -1.778 6.867) 8.346 15.821 ( 6.362 -0.873 -7.597) 9.948 15.897 ( -10.000 -1.725 8.105) 12.987 16.142 ( 0.077 -4.771 -1.404) 4.974 16.184 ( -5.761 0.825 0.466) 5.839 16.385 ( 3.907 -5.974 -4.704) 8.549 16.746 ( -6.776 1.324 2.151) 7.231 16.900 ( 2.840 3.258 -0.079) 4.323 16.968 ( -4.406 3.756 1.404) 5.958 17.102 ( -0.467 0.869 -4.459) 4.567 18.109 ( -0.587 1.855 -0.296) 1.968 18.185 ( 5.468 2.491 0.795) 6.061 18.256 ( -2.570 -1.351 0.422) 2.934 18.390 ( 8.531 -1.654 -1.750) 8.865 18.849 ( 4.141 1.166 1.491) 4.553 18.913 ( 5.525 -0.349 -3.363) 6.478 19.204 ( 2.463 -1.368 2.187) 3.567 19.249 ( 0.239 -2.958 -4.283) 5.211 24.991 ( -1.105 3.079 3.034) 4.462 25.074 ( -0.001 2.671 -4.187) 4.966 25.560 ( -3.856 -13.051 6.504) 15.084 25.706 ( -4.288 -15.899 -8.698) 18.623 26.786 ( -0.469 2.944 1.589) 3.378 26.852 ( 1.386 1.904 -2.574) 3.488 26.907 ( -1.702 3.356 0.244) 3.771 26.968 ( 2.259 3.473 -0.873) 4.234 27.905 ( -0.842 10.563 0.899) 10.635 27.944 ( 0.843 12.079 -1.465) 12.197 28.156 ( -1.087 2.029 2.198) 3.183 28.198 ( 0.553 1.439 0.288) 1.568 28.454 ( -1.377 2.006 9.192) 9.508 28.647 ( -0.407 -2.523 -6.314) 6.811 28.751 ( -5.025 0.771 8.940) 10.285 29.075 ( -4.041 -3.907 -4.134) 6.978 29.143 ( -3.738 0.733 -7.723) 8.611 29.252 ( -5.798 -0.634 4.593) 7.424 29.345 ( 8.613 -0.298 -0.073) 8.618 29.486 ( 6.922 -3.312 -4.473) 8.882 29.705 ( -9.801 0.167 -0.958) 9.849 29.753 ( -8.116 0.032 -2.149) 8.396 30.064 ( 10.462 -1.268 0.662) 10.559 30.118 ( 16.942 -1.098 4.991) 17.696 30.636 ( 0.647 1.779 5.752) 6.056 30.730 ( -1.060 1.123 -5.639) 5.846 30.968 ( 1.905 -3.840 7.368) 8.525 31.055 ( -1.880 -4.332 -5.923) 7.575 ======================= Grid point 82 (46/54) ======================= q-point: (-0.29 0.20 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 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 Number of triplets: 88 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.716 ( -5.515 -1.836 7.475) 9.469 1.840 ( -10.120 2.209 6.961) 12.480 2.094 ( 3.241 -0.837 -3.616) 4.927 2.237 ( -13.291 9.181 4.205) 16.692 2.392 ( 10.957 6.862 3.543) 13.405 2.543 ( -4.882 17.373 -8.041) 19.756 2.588 ( -0.869 1.487 5.999) 6.241 2.681 ( -4.311 13.822 0.844) 14.503 2.750 ( -8.182 11.858 0.523) 14.417 2.898 ( 3.827 9.287 6.775) 12.116 2.991 ( -0.165 1.002 -16.416) 16.447 3.133 ( -2.201 3.754 0.826) 4.429 3.242 ( -0.845 4.665 -0.629) 4.783 3.367 ( -5.112 -1.368 -9.599) 10.961 3.518 ( -5.279 -0.192 0.137) 5.284 3.610 ( 9.940 -3.709 3.101) 11.053 3.676 ( -3.051 3.613 1.306) 4.906 3.805 ( -2.860 -5.542 -5.860) 8.558 3.879 ( 5.056 1.954 2.941) 6.167 3.974 ( -10.335 1.587 -0.900) 10.494 4.052 ( 4.084 -0.524 -0.473) 4.145 4.100 ( 4.168 -2.656 -10.117) 11.260 4.192 ( 3.890 -1.284 2.090) 4.599 4.269 ( -0.031 -1.728 -3.599) 3.992 4.283 ( -9.465 0.699 8.771) 12.923 4.343 ( -13.603 5.902 13.852) 20.292 4.524 ( -13.196 2.541 3.243) 13.824 4.591 ( 5.660 4.094 1.789) 7.211 4.630 ( -3.617 1.607 -2.006) 4.438 4.681 ( 1.484 0.017 -0.567) 1.588 4.750 ( -3.278 -3.429 4.271) 6.383 4.822 ( -4.696 -0.278 0.488) 4.729 4.895 ( 2.169 -1.850 -3.238) 4.314 4.998 ( -7.913 2.737 -1.919) 8.590 5.024 ( -2.118 -1.062 -0.925) 2.544 5.129 ( -1.051 1.104 3.297) 3.632 5.233 ( 0.895 -0.943 -2.179) 2.537 5.236 ( -3.989 -0.065 5.582) 6.861 5.334 ( 1.527 0.946 -5.406) 5.697 5.369 ( 5.264 1.319 5.466) 7.703 5.413 ( 0.221 -1.287 -2.404) 2.736 5.581 ( -2.849 5.026 -1.483) 5.965 5.651 ( -8.397 1.098 -0.268) 8.472 5.724 ( -11.798 -2.698 0.851) 12.132 5.813 ( -3.402 -3.037 2.664) 5.281 5.912 ( -5.691 5.016 4.227) 8.684 5.972 ( -6.454 -0.721 -5.238) 8.343 6.025 ( -2.040 -0.010 2.069) 2.906 6.074 ( -13.863 -3.609 -6.167) 15.596 6.192 ( -1.309 -2.030 1.170) 2.684 6.243 ( -1.833 0.409 2.950) 3.497 6.351 ( 9.807 -0.224 2.377) 10.093 6.368 ( 5.760 3.202 -0.181) 6.593 6.520 ( -5.086 -3.287 -4.089) 7.306 6.615 ( -3.468 -2.082 1.391) 4.278 6.709 ( 6.862 -3.302 -5.816) 9.582 6.795 ( 0.572 1.948 1.424) 2.480 6.854 ( 9.215 -7.729 0.158) 12.028 7.085 ( 1.904 -0.841 0.891) 2.265 7.114 ( 2.513 -2.291 2.229) 4.066 7.148 ( 2.246 -4.917 1.211) 5.539 7.252 ( 8.202 5.640 -7.153) 12.257 7.360 ( -0.136 7.814 -5.751) 9.703 7.401 ( 2.144 -6.089 1.308) 6.586 7.460 ( 3.885 -0.797 1.838) 4.371 7.590 ( 5.153 -3.394 0.390) 6.182 7.618 ( 0.983 -5.282 5.829) 7.927 7.739 ( 3.602 -1.625 -2.629) 4.747 7.830 ( 6.189 -1.440 1.514) 6.532 7.960 ( 1.796 -3.203 3.052) 4.775 8.039 ( 6.026 -0.567 -2.066) 6.396 8.121 ( 5.627 -5.383 0.754) 7.823 8.175 ( 0.543 0.059 -1.431) 1.531 8.271 ( 0.643 0.404 -6.088) 6.135 8.349 ( 0.667 -0.650 -3.772) 3.885 8.429 ( 3.944 -2.265 2.692) 5.285 8.502 ( 4.592 0.196 0.175) 4.599 8.513 ( 3.065 0.401 1.005) 3.250 8.635 ( 2.156 -0.808 0.911) 2.476 8.718 ( 0.074 2.625 -3.162) 4.110 8.780 ( -5.828 1.651 -0.955) 6.132 8.982 ( -2.379 -0.496 -4.079) 4.748 8.991 ( -1.097 7.859 3.057) 8.503 9.117 ( -4.254 -4.962 2.422) 6.971 9.304 ( 6.819 -4.820 4.030) 9.272 9.314 ( 5.286 -6.310 0.895) 8.281 9.442 ( 1.644 0.876 -3.540) 4.000 9.531 ( -0.355 -5.912 -2.396) 6.389 9.680 ( -0.636 3.903 3.479) 5.267 9.791 ( 1.659 -0.489 -0.234) 1.746 9.902 ( 3.439 7.005 -4.144) 8.835 9.999 ( -0.537 2.311 4.402) 5.000 10.102 ( -3.378 3.453 -0.274) 4.838 10.123 ( -2.877 0.332 2.015) 3.529 10.174 ( -0.016 -0.810 2.656) 2.777 10.328 ( 1.733 1.010 -1.567) 2.546 10.392 ( 3.726 6.238 4.559) 8.578 10.516 ( -4.159 -1.282 0.123) 4.354 10.542 ( 5.079 3.345 -2.859) 6.720 10.643 ( 0.625 0.540 1.293) 1.534 10.835 ( 2.163 -4.818 -0.036) 5.282 10.880 ( 9.402 -1.335 -5.969) 11.216 11.007 ( -3.775 -0.471 -1.102) 3.960 11.058 ( -5.214 2.350 -0.698) 5.761 11.208 ( 2.644 0.731 3.123) 4.157 11.295 ( 6.188 -2.667 2.624) 7.231 11.449 ( -1.479 1.672 0.366) 2.263 11.605 ( 4.377 -4.074 -4.652) 7.576 11.706 ( 2.116 -4.027 4.125) 6.141 11.817 ( 4.271 -6.720 1.231) 8.057 11.985 ( 5.665 0.097 3.362) 6.588 12.130 ( 2.429 -1.890 3.566) 4.710 12.382 ( 10.937 9.708 0.608) 14.637 12.489 ( 2.898 -2.508 -5.888) 7.026 12.557 ( -1.116 -1.590 -2.850) 3.449 12.653 ( 0.555 4.798 0.178) 4.833 12.842 ( 6.817 -3.073 6.579) 9.960 12.929 ( 1.542 -2.568 -5.372) 6.151 13.245 ( -5.845 1.802 -5.171) 8.009 13.345 ( 4.198 -0.571 2.524) 4.931 13.702 ( -11.213 -2.277 1.818) 11.585 13.757 ( -7.207 -0.532 3.457) 8.011 14.015 ( 1.344 -0.949 2.150) 2.707 14.107 ( -0.072 -1.533 -4.877) 5.113 14.350 ( -12.202 1.179 1.641) 12.369 14.465 ( -14.520 -1.448 -1.535) 14.672 14.519 ( -8.369 -2.505 -3.952) 9.588 14.637 ( -10.533 2.775 2.549) 11.187 14.735 ( -2.398 1.150 0.615) 2.730 14.812 ( -3.429 2.570 0.144) 4.288 14.909 ( -8.009 3.917 -1.249) 9.002 15.101 ( -4.427 -0.974 -0.729) 4.591 15.221 ( -6.313 3.815 9.294) 11.865 15.312 ( -0.248 -0.672 -0.605) 0.937 15.625 ( -12.410 -0.894 1.257) 12.506 15.703 ( -0.502 -2.734 2.577) 3.790 15.979 ( 7.335 0.161 -3.183) 7.997 16.073 ( -3.520 -7.888 2.989) 9.140 16.120 ( -2.743 10.068 -0.676) 10.457 16.449 ( 3.065 -4.869 -1.604) 5.972 16.590 ( -8.635 -1.160 -1.613) 8.861 16.796 ( -10.454 -0.582 0.971) 10.516 16.946 ( -0.255 3.936 -1.004) 4.070 17.068 ( -2.774 2.081 -3.801) 5.145 18.167 ( 6.285 0.758 -2.241) 6.715 18.250 ( 1.236 -0.483 1.075) 1.708 18.280 ( 3.982 2.357 0.195) 4.631 18.603 ( 11.690 -5.358 -1.420) 12.938 18.999 ( 10.251 1.668 1.662) 10.518 19.072 ( 9.865 -0.161 -3.294) 10.402 19.265 ( 2.113 -2.466 -2.505) 4.101 19.285 ( 5.287 -1.511 0.637) 5.535 24.969 ( -0.917 2.884 2.659) 4.029 25.060 ( -1.059 2.020 -3.890) 4.510 25.424 ( -9.701 -9.795 5.269) 14.759 25.544 ( -11.700 -11.699 -7.952) 18.357 26.788 ( 0.618 1.376 0.684) 1.657 26.853 ( -0.723 2.136 0.033) 2.255 26.919 ( 2.588 1.141 -2.048) 3.492 27.014 ( 1.940 2.014 0.854) 2.924 27.887 ( -0.615 9.429 0.096) 9.449 27.945 ( -0.800 11.543 -1.685) 11.693 28.134 ( -1.406 0.655 1.290) 2.017 28.194 ( -1.305 2.044 0.346) 2.450 28.414 ( -2.123 1.838 8.516) 8.967 28.629 ( -0.590 -1.877 -4.797) 5.185 28.674 ( -3.366 1.079 4.144) 5.447 28.889 ( -9.689 0.491 0.333) 9.707 29.054 ( -10.569 -1.167 0.770) 10.661 29.079 ( -9.494 -0.301 -1.960) 9.698 29.565 ( 1.636 -1.422 3.353) 3.992 29.573 ( 8.836 -1.827 -2.099) 9.263 29.633 ( 3.663 -0.017 -7.208) 8.085 29.718 ( 9.430 -1.511 -4.999) 10.780 30.264 ( 7.296 0.850 0.058) 7.346 30.409 ( 8.517 -2.534 3.379) 9.507 30.656 ( 0.616 3.571 4.396) 5.697 30.690 ( -3.437 2.598 -4.960) 6.570 31.036 ( 6.382 -6.903 6.099) 11.206 31.074 ( 6.335 -5.448 0.486) 8.370 ======================= Grid point 83 (47/54) ======================= q-point: (-0.14 0.20 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 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 Number of triplets: 88 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.464 ( -12.070 -1.480 25.278) 28.051 1.700 ( -13.160 7.876 16.760) 22.718 1.862 ( -1.891 -5.028 -11.309) 12.520 2.313 ( -3.231 25.963 1.376) 26.199 2.425 ( -3.415 2.939 -0.793) 4.574 2.475 ( -10.606 10.246 -9.010) 17.282 2.623 ( 7.771 9.108 -6.399) 13.575 2.659 ( 2.638 4.053 0.529) 4.864 2.687 ( 8.584 9.529 7.119) 14.668 2.917 ( -12.130 -7.141 3.729) 14.562 2.976 ( -4.197 13.115 5.983) 15.014 3.092 ( 7.398 8.645 -1.095) 11.431 3.177 ( -8.089 1.948 0.308) 8.326 3.277 ( 2.081 10.257 -0.235) 10.469 3.356 ( -6.086 3.621 0.865) 7.135 3.596 ( 2.036 -2.946 1.656) 3.945 3.719 ( 1.618 1.486 0.946) 2.392 3.794 ( -5.783 -0.605 4.956) 7.640 3.866 ( -0.255 -3.019 -8.297) 8.833 3.928 ( -4.620 -2.941 6.141) 8.228 4.013 ( -6.953 1.534 1.918) 7.373 4.081 ( -4.273 1.285 -2.937) 5.342 4.172 ( -5.216 1.162 -4.193) 6.793 4.200 ( 4.924 -3.257 2.239) 6.314 4.291 ( -6.475 -1.842 3.917) 7.788 4.340 ( 4.414 5.457 -2.412) 7.422 4.380 ( 3.931 0.151 -4.335) 5.854 4.484 ( -6.763 -1.784 -5.238) 8.738 4.590 ( 2.579 6.947 -3.433) 8.166 4.616 ( -11.593 -1.097 1.367) 11.725 4.682 ( -5.432 -0.568 -10.313) 11.670 4.755 ( -0.432 -5.047 -0.842) 5.135 4.946 ( 2.433 -2.964 -0.468) 3.863 4.995 ( 2.012 2.572 0.833) 3.370 5.040 ( 0.363 -1.104 4.612) 4.756 5.078 ( 7.278 -1.093 1.140) 7.448 5.169 ( -2.265 -2.280 3.216) 4.546 5.230 ( -2.959 2.062 0.876) 3.711 5.267 ( -1.677 1.352 2.905) 3.617 5.374 ( -11.748 -0.368 3.443) 12.248 5.405 ( -12.044 -0.929 5.030) 13.085 5.462 ( 3.337 -0.652 -6.060) 6.949 5.551 ( 3.327 0.318 -1.951) 3.870 5.643 ( 0.572 7.906 0.048) 7.927 5.764 ( -8.624 -1.377 -0.708) 8.761 5.812 ( -7.927 -1.364 -5.414) 9.695 5.892 ( -4.613 2.996 -0.607) 5.534 5.939 ( 8.695 5.633 -3.513) 10.939 5.956 ( 3.202 2.922 -1.162) 4.488 6.158 ( -3.905 -1.593 4.282) 6.010 6.241 ( 1.635 1.876 2.568) 3.576 6.387 ( -2.365 3.883 1.362) 4.746 6.537 ( 8.350 2.618 4.086) 9.658 6.567 ( 3.791 -6.799 -0.548) 7.804 6.673 ( 8.666 -5.233 0.501) 10.136 6.778 ( 0.393 -7.659 -10.190) 12.753 6.875 ( 6.496 1.003 3.021) 7.234 7.004 ( 4.300 -3.713 0.260) 5.687 7.093 ( 0.194 0.300 -0.922) 0.989 7.186 ( 2.521 -4.153 1.988) 5.249 7.190 ( 1.737 -5.464 0.182) 5.736 7.294 ( -3.352 -2.278 -6.171) 7.383 7.341 ( -1.735 -0.894 -4.175) 4.609 7.406 ( 0.097 -0.527 0.083) 0.542 7.441 ( -0.842 -1.769 -1.871) 2.708 7.643 ( -0.755 -8.654 4.196) 9.647 7.719 ( 6.856 2.590 0.581) 7.352 7.767 ( -1.579 0.685 -3.958) 4.316 7.858 ( 0.946 1.198 0.385) 1.574 8.018 ( 1.304 -4.439 3.585) 5.853 8.060 ( -5.242 -2.170 -3.292) 6.559 8.145 ( 0.050 -4.108 -2.368) 4.742 8.257 ( 6.283 -1.315 -2.501) 6.889 8.319 ( 1.152 1.782 -1.540) 2.622 8.380 ( 2.313 -1.695 -0.330) 2.887 8.459 ( -1.628 -3.914 6.989) 8.174 8.537 ( -3.571 -1.558 1.652) 4.232 8.581 ( 4.936 -0.818 -1.524) 5.230 8.658 ( -1.460 1.069 -0.600) 1.906 8.700 ( 0.388 4.430 -0.475) 4.472 8.760 ( 6.193 -0.377 -1.161) 6.312 8.941 ( -2.006 -1.312 -2.792) 3.680 9.015 ( 4.507 7.906 5.271) 10.517 9.129 ( 4.528 -0.351 4.918) 6.695 9.364 ( -0.461 -7.300 -0.066) 7.315 9.411 ( 2.842 -3.777 3.338) 5.787 9.451 ( -0.374 2.771 -2.225) 3.574 9.519 ( -3.215 -4.930 -2.110) 6.252 9.643 ( 0.678 4.517 -2.042) 5.003 9.817 ( -0.499 -3.062 2.043) 3.715 9.955 ( -1.466 5.864 -3.002) 6.749 9.999 ( 2.448 6.311 1.472) 6.928 10.046 ( 1.648 6.127 -0.652) 6.378 10.123 ( 0.629 6.182 -1.418) 6.373 10.229 ( 5.657 -5.616 2.608) 8.387 10.399 ( 0.722 1.509 4.395) 4.702 10.409 ( 2.770 -1.240 1.279) 3.293 10.494 ( 0.666 0.906 0.996) 1.502 10.563 ( -3.020 -2.637 2.509) 4.730 10.687 ( -3.114 3.400 -3.585) 5.840 10.743 ( 0.662 2.170 1.207) 2.570 10.924 ( -5.433 2.373 0.574) 5.957 11.097 ( 9.354 -2.454 -1.041) 9.726 11.118 ( 8.884 -0.979 -5.381) 10.432 11.314 ( 8.130 1.031 1.209) 8.284 11.447 ( 6.932 -3.985 1.232) 8.091 11.534 ( 8.971 -1.339 5.407) 10.560 11.687 ( 4.240 -3.825 -3.383) 6.638 11.724 ( 0.688 -2.954 3.032) 4.289 11.871 ( 1.311 -6.920 -0.433) 7.056 12.082 ( 4.051 -3.497 8.599) 10.129 12.220 ( 6.913 -4.400 2.353) 8.525 12.483 ( 1.373 1.395 -3.721) 4.204 12.509 ( -0.520 -2.443 -8.070) 8.448 12.576 ( 1.385 1.218 -1.384) 2.306 12.651 ( -1.679 1.507 -2.959) 3.721 12.930 ( 2.108 3.401 1.114) 4.154 13.071 ( 2.188 0.988 3.584) 4.313 13.114 ( 1.300 -0.191 -2.763) 3.060 13.350 ( -5.064 -4.175 0.651) 6.595 13.479 ( -11.022 0.619 4.649) 11.978 13.578 ( -5.393 2.173 1.573) 6.023 14.014 ( -9.060 -4.297 -3.272) 10.548 14.026 ( -4.230 -7.062 1.315) 8.337 14.121 ( -9.228 3.272 0.339) 9.796 14.258 ( -9.509 5.882 -0.493) 11.192 14.334 ( -6.173 -0.412 1.774) 6.436 14.500 ( 1.707 6.361 -0.514) 6.606 14.701 ( -5.174 11.641 -2.852) 13.054 14.771 ( -2.389 -0.279 0.320) 2.426 14.792 ( 1.709 -2.678 1.459) 3.495 14.996 ( -8.928 -0.517 -1.492) 9.067 15.022 ( -9.474 -2.312 5.481) 11.187 15.230 ( -7.144 -3.843 0.743) 8.146 15.513 ( -0.010 5.547 -0.812) 5.606 15.619 ( -6.987 5.567 2.843) 9.375 15.972 ( -2.983 -6.209 -0.422) 6.902 16.080 ( -3.251 -2.711 -3.421) 5.443 16.139 ( 6.656 0.979 3.928) 7.791 16.456 ( -3.255 3.678 -2.059) 5.326 16.505 ( 1.768 -3.107 -1.617) 3.924 16.585 ( -10.207 -3.329 -1.184) 10.802 16.919 ( -1.891 1.644 0.750) 2.615 16.989 ( -4.952 1.508 -2.027) 5.559 18.273 ( 2.293 -0.354 -0.329) 2.343 18.287 ( 1.884 0.065 1.250) 2.261 18.389 ( 9.038 1.294 -0.757) 9.162 18.737 ( 0.031 -9.750 -4.305) 10.658 19.197 ( 8.441 1.930 2.726) 9.078 19.258 ( 8.711 1.221 -2.525) 9.151 19.340 ( 5.209 -1.720 0.862) 5.553 19.396 ( 5.288 -1.439 -1.025) 5.575 24.970 ( 1.304 2.153 1.932) 3.173 25.043 ( -0.046 1.378 -2.881) 3.194 25.222 ( -10.194 -4.370 3.124) 11.522 25.280 ( -13.677 -4.957 -4.546) 15.241 26.810 ( 1.625 -0.581 -0.322) 1.755 26.844 ( -0.338 0.234 0.416) 0.585 26.978 ( 3.333 0.114 -2.009) 3.893 27.032 ( -0.239 0.510 1.464) 1.569 27.885 ( 0.253 8.916 0.423) 8.929 27.923 ( -1.018 10.109 -1.509) 10.272 28.098 ( -2.133 0.152 0.557) 2.209 28.141 ( -3.696 1.501 -1.065) 4.129 28.406 ( 1.044 1.738 9.583) 9.795 28.623 ( -1.416 -0.340 5.017) 5.224 28.631 ( 0.182 1.815 -6.836) 7.075 28.738 ( -5.392 2.002 -0.731) 5.798 28.845 ( -8.802 -0.409 0.950) 8.862 28.887 ( -8.910 -0.662 -1.549) 9.068 29.564 ( 0.321 0.226 1.748) 1.792 29.677 ( 3.520 -2.011 -13.330) 13.932 29.857 ( 13.114 -0.595 6.864) 14.814 29.946 ( 11.963 -1.976 -5.975) 13.517 30.348 ( 2.605 1.318 0.691) 3.000 30.452 ( -1.449 -1.666 -0.488) 2.261 30.577 ( -7.718 0.893 -2.897) 8.292 30.589 ( -7.107 2.141 0.694) 7.455 31.217 ( 8.149 -5.611 14.694) 17.715 31.315 ( 16.136 -8.834 -3.477) 18.722 ======================= Grid point 84 (48/54) ======================= q-point: ( 0.00 0.40 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 Number of triplets: 88 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.438 ( 1.941 8.053 15.496) 17.572 1.641 ( 3.005 -11.239 -3.604) 12.179 2.045 ( 10.040 16.892 17.496) 26.311 2.254 ( -5.741 1.175 -2.036) 6.204 2.483 ( 2.555 -4.687 -2.122) 5.745 2.526 ( -10.152 -4.760 -2.683) 11.529 2.785 ( 1.487 11.488 0.101) 11.585 2.805 ( 2.763 7.834 -3.129) 8.876 2.886 ( -1.783 4.205 -5.620) 7.241 2.971 ( 1.065 1.568 -8.781) 8.983 3.154 ( 1.238 9.477 6.969) 11.828 3.251 ( -5.633 1.822 -4.556) 7.470 3.370 ( 5.304 14.756 15.152) 21.804 3.459 ( 8.299 0.525 10.480) 13.379 3.549 ( 2.678 12.095 -2.230) 12.587 3.600 ( -3.167 -2.765 -6.559) 7.790 3.652 ( -1.217 -1.879 6.533) 6.906 3.732 ( -4.387 -3.429 -0.077) 5.568 3.821 ( -3.423 2.576 -1.653) 4.592 3.852 ( -6.952 -0.148 -0.708) 6.989 3.948 ( 6.137 2.861 3.559) 7.649 4.001 ( -1.225 -2.872 4.033) 5.100 4.134 ( -4.926 0.655 5.665) 7.536 4.176 ( 7.347 3.676 -3.299) 8.853 4.224 ( -4.442 -2.294 -4.657) 6.832 4.264 ( 8.914 -4.508 -4.857) 11.108 4.401 ( -6.295 -1.350 2.180) 6.797 4.420 ( -6.254 -2.557 2.480) 7.197 4.497 ( 2.355 0.836 -4.640) 5.270 4.542 ( 1.601 -2.899 -6.308) 7.124 4.674 ( 0.217 2.782 1.175) 3.027 4.729 ( -0.256 -1.228 -1.864) 2.247 4.962 ( 3.510 -0.454 7.074) 7.910 4.993 ( 5.330 -4.257 3.703) 7.761 5.062 ( -2.318 2.618 -1.461) 3.789 5.103 ( -2.533 -0.945 -0.758) 2.808 5.169 ( 0.093 1.511 5.642) 5.841 5.195 ( -1.670 -0.382 3.000) 3.454 5.275 ( -4.743 1.862 -2.412) 5.638 5.309 ( 0.622 -0.481 -6.272) 6.322 5.402 ( 4.166 4.711 1.094) 6.383 5.476 ( -5.113 -0.504 -3.772) 6.374 5.577 ( -3.988 -1.612 1.139) 4.450 5.583 ( 4.606 -1.573 -0.002) 4.867 5.706 ( 3.052 5.390 -4.665) 7.755 5.803 ( -0.665 1.503 -11.922) 12.035 5.970 ( 0.952 1.287 -4.275) 4.565 6.002 ( 3.664 -2.827 -5.261) 7.006 6.073 ( -1.119 4.354 8.450) 9.571 6.161 ( 2.044 -0.769 1.266) 2.524 6.351 ( -1.518 -3.481 0.957) 3.916 6.440 ( 1.819 -10.876 -4.199) 11.799 6.519 ( -0.848 10.303 -2.442) 10.622 6.559 ( 0.733 5.596 -2.445) 6.151 6.716 ( 3.725 -3.017 5.256) 7.114 6.738 ( 9.645 -9.217 3.593) 13.817 6.810 ( -9.004 -3.696 -2.825) 10.135 6.823 ( -11.048 -3.440 -3.282) 12.027 7.064 ( -3.658 1.950 9.372) 10.247 7.114 ( 8.205 -2.009 6.016) 10.370 7.201 ( -3.805 -0.745 -4.996) 6.324 7.251 ( -2.196 -2.662 -5.491) 6.486 7.344 ( 2.151 1.827 -1.163) 3.052 7.367 ( 2.467 -0.426 -2.538) 3.565 7.464 ( -0.325 -1.637 0.900) 1.896 7.505 ( 4.406 -3.929 -2.767) 6.520 7.794 ( -0.563 2.273 -1.405) 2.731 7.812 ( -3.836 2.467 -3.113) 5.522 7.854 ( -0.908 -0.289 -0.161) 0.966 7.877 ( 2.250 -1.647 -1.378) 3.110 7.999 ( -2.216 0.182 2.474) 3.326 8.074 ( -1.541 -5.157 -5.044) 7.376 8.285 ( -2.113 -0.517 2.515) 3.325 8.295 ( 0.142 -0.194 2.549) 2.560 8.350 ( 3.280 -1.479 5.713) 6.752 8.405 ( 1.599 -3.169 4.565) 5.783 8.485 ( -0.012 0.186 -4.097) 4.102 8.524 ( -3.401 -2.818 -4.350) 6.199 8.767 ( -0.015 4.919 1.747) 5.220 8.782 ( -0.057 4.939 0.137) 4.941 8.850 ( -1.734 -2.688 0.668) 3.268 8.865 ( 2.847 -1.749 -0.876) 3.454 9.168 ( 2.007 -0.540 4.474) 4.933 9.197 ( -0.001 -4.151 1.921) 4.574 9.313 ( 3.900 3.849 2.874) 6.187 9.351 ( -7.983 5.072 0.566) 9.475 9.408 ( 2.061 -4.438 7.129) 8.647 9.477 ( -4.138 -4.499 -0.116) 6.114 9.679 ( -0.827 3.708 -1.196) 3.983 9.740 ( 2.370 -1.252 -6.664) 7.183 10.068 ( 2.915 4.796 2.776) 6.262 10.110 ( -3.310 1.948 -1.543) 4.139 10.192 ( -4.212 5.099 3.093) 7.301 10.235 ( 1.917 1.790 -0.096) 2.625 10.270 ( 4.565 -4.352 3.067) 7.014 10.300 ( -0.769 -3.545 0.489) 3.661 10.501 ( -0.674 1.004 -0.376) 1.266 10.506 ( 0.497 0.382 -0.695) 0.936 10.590 ( 4.363 1.797 -0.781) 4.783 10.600 ( 1.392 1.221 -2.059) 2.769 10.857 ( -3.618 4.169 4.044) 6.843 10.902 ( 2.508 0.186 0.464) 2.557 11.138 ( -2.733 0.188 0.481) 2.782 11.173 ( -1.806 -2.505 -2.225) 3.806 11.465 ( 0.839 2.289 0.733) 2.546 11.492 ( 0.778 0.483 -0.594) 1.091 11.548 ( -1.848 -4.657 5.004) 7.081 11.604 ( -0.411 -10.413 4.740) 11.448 11.694 ( 2.991 0.751 -4.533) 5.482 11.756 ( 1.855 -5.459 -6.424) 8.632 12.123 ( 0.182 1.000 2.582) 2.775 12.180 ( -0.304 -5.135 -1.825) 5.458 12.476 ( -0.003 0.759 -3.176) 3.266 12.492 ( -0.095 -0.953 -3.083) 3.228 12.545 ( -2.581 -0.162 -3.965) 4.734 12.554 ( -4.441 -0.839 -5.121) 6.830 12.976 ( 1.480 0.389 1.083) 1.875 12.989 ( 0.285 -0.809 -0.229) 0.888 13.221 ( -0.228 0.251 0.289) 0.446 13.232 ( 6.993 -0.825 -0.719) 7.078 13.542 ( 1.323 2.226 1.582) 3.035 13.567 ( -1.452 -0.312 -1.179) 1.896 13.876 ( 5.279 3.101 1.290) 6.257 13.903 ( -1.047 1.168 -1.262) 2.013 14.151 ( 1.575 2.454 3.159) 4.299 14.179 ( -3.702 0.984 0.781) 3.909 14.398 ( 5.014 -0.110 4.043) 6.442 14.464 ( -5.506 -4.965 -2.551) 7.841 14.747 ( -5.957 6.289 0.942) 8.714 14.793 ( 3.198 5.398 -3.053) 6.978 14.850 ( -4.646 -1.751 0.848) 5.037 14.868 ( 6.931 -0.395 -0.809) 6.989 15.013 ( -3.826 -0.097 1.173) 4.003 15.045 ( 6.337 -1.866 -2.005) 6.903 15.610 ( 0.903 2.749 2.982) 4.155 15.663 ( -0.909 -0.604 -2.383) 2.621 15.907 ( 1.435 5.183 2.299) 5.849 15.961 ( -1.163 2.634 -2.926) 4.105 16.220 ( 7.205 -6.213 1.503) 9.632 16.250 ( -8.023 -8.742 -1.490) 11.958 16.502 ( -0.835 3.203 3.033) 4.490 16.534 ( 0.304 0.591 -0.114) 0.674 16.911 ( -1.349 0.952 1.734) 2.395 16.921 ( -1.805 0.119 0.804) 1.979 18.305 ( -0.416 0.453 0.897) 1.088 18.309 ( 0.549 0.194 0.632) 0.859 18.508 ( 0.791 -0.871 1.688) 2.057 18.531 ( -1.678 -3.080 -0.581) 3.556 19.318 ( -0.300 1.985 3.698) 4.208 19.359 ( 0.038 -2.004 2.822) 3.461 19.396 ( 0.477 1.347 -3.369) 3.659 19.426 ( 0.103 -1.523 -3.147) 3.498 25.044 ( 1.453 0.844 1.414) 2.196 25.058 ( -1.311 -0.489 0.744) 1.585 25.083 ( -0.716 0.592 -0.928) 1.313 25.096 ( 0.745 -0.552 -1.380) 1.663 26.818 ( -0.200 -0.139 -0.101) 0.264 26.824 ( 0.444 -0.737 -0.747) 1.139 27.004 ( -1.037 0.555 0.384) 1.237 27.025 ( 1.588 -1.346 -1.757) 2.724 28.030 ( -0.777 4.166 1.693) 4.564 28.058 ( 0.322 4.430 -0.521) 4.472 28.070 ( -0.880 0.022 1.324) 1.590 28.105 ( 0.174 -0.317 -1.649) 1.688 28.508 ( 1.745 4.416 10.361) 11.397 28.578 ( -0.086 -2.300 7.598) 7.939 28.681 ( -1.023 1.972 -3.276) 3.958 28.718 ( -0.767 -0.718 -4.475) 4.597 28.764 ( -0.030 2.173 -0.889) 2.348 28.798 ( 1.651 -0.154 -3.582) 3.947 29.589 ( -0.973 2.809 -4.130) 5.088 29.656 ( 0.079 -3.523 -10.236) 10.826 30.013 ( -0.992 1.568 1.943) 2.686 30.059 ( 0.770 -2.872 -2.643) 3.979 30.406 ( -0.189 0.475 0.874) 1.012 30.414 ( -1.952 -0.393 0.051) 1.991 30.471 ( 1.724 0.273 -0.429) 1.798 30.473 ( -0.337 0.171 -0.646) 0.748 31.228 ( -0.622 -0.461 8.692) 8.726 31.307 ( 1.527 -8.573 1.156) 8.785 ======================= Grid point 85 (49/54) ======================= q-point: ( 0.14 0.40 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 Number of triplets: 88 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.607 ( 14.194 8.888 7.247) 18.248 1.771 ( 10.063 -5.249 -3.212) 11.796 2.132 ( -5.064 5.975 -8.802) 11.782 2.255 ( -4.887 -3.867 5.120) 8.065 2.374 ( 7.663 11.167 12.104) 18.164 2.617 ( 7.920 -8.085 5.762) 12.700 2.759 ( -2.036 7.064 1.082) 7.431 2.825 ( -7.027 -1.710 2.577) 7.677 2.869 ( 1.746 8.324 -6.706) 10.831 2.959 ( 5.452 3.132 -12.973) 14.416 3.211 ( 0.638 5.693 -2.757) 6.358 3.264 ( 5.259 4.709 5.011) 8.657 3.409 ( -5.591 10.814 7.128) 14.107 3.451 ( -2.250 6.537 -7.165) 9.957 3.502 ( -2.034 4.539 -2.658) 5.640 3.582 ( -6.862 -4.579 3.565) 8.987 3.623 ( -1.694 5.979 -1.638) 6.427 3.740 ( -1.135 -3.539 0.216) 3.722 3.860 ( 17.318 3.405 3.133) 17.926 3.935 ( 13.646 -1.234 3.333) 14.101 3.978 ( -1.650 2.988 2.584) 4.281 4.028 ( 3.543 -2.011 -2.614) 4.840 4.091 ( -0.959 -1.265 5.291) 5.524 4.169 ( -6.287 -6.261 -2.530) 9.227 4.334 ( 2.398 1.203 -0.286) 2.698 4.362 ( 14.192 5.527 5.977) 16.361 4.384 ( 4.199 -2.297 -4.223) 6.383 4.489 ( 11.521 -4.285 -1.001) 12.333 4.601 ( 7.683 6.951 6.090) 12.018 4.652 ( 0.225 1.322 -4.392) 4.592 4.678 ( 2.591 1.127 -5.542) 6.221 4.729 ( 1.461 -4.080 2.213) 4.866 4.945 ( -4.318 2.323 4.345) 6.551 5.004 ( -2.934 -2.366 4.934) 6.209 5.041 ( -6.801 2.570 0.235) 7.274 5.067 ( -6.953 -1.125 1.215) 7.147 5.130 ( -0.451 2.687 8.885) 9.293 5.187 ( 7.015 -2.151 -2.320) 7.695 5.255 ( 4.272 -0.294 2.530) 4.974 5.330 ( 7.338 -7.611 -0.526) 10.585 5.409 ( 2.594 3.942 -4.757) 6.700 5.478 ( 4.755 -2.020 -3.121) 6.035 5.619 ( 2.472 6.345 -2.233) 7.166 5.707 ( 0.058 6.206 -4.589) 7.718 5.784 ( 7.178 -5.439 -0.794) 9.041 5.859 ( 6.471 -1.926 -6.785) 9.572 5.903 ( -1.197 4.446 -0.882) 4.688 6.026 ( -2.497 -2.843 -6.789) 7.773 6.071 ( -2.055 7.779 -1.346) 8.158 6.190 ( 0.730 -5.650 1.874) 5.997 6.293 ( -3.602 -2.816 -1.284) 4.749 6.338 ( -7.750 4.539 2.380) 9.291 6.439 ( -3.490 -7.581 -8.497) 11.910 6.530 ( -10.184 -7.388 -1.471) 12.667 6.619 ( 0.008 4.736 0.474) 4.760 6.686 ( -7.304 0.272 -2.684) 7.786 6.809 ( 0.730 -1.996 7.908) 8.189 6.870 ( 3.040 -6.603 12.254) 14.248 6.980 ( -2.770 2.587 3.554) 5.196 7.068 ( -4.289 -3.950 -2.891) 6.508 7.246 ( -6.036 -0.147 1.037) 6.126 7.268 ( 2.497 -3.455 2.299) 4.843 7.326 ( 2.358 0.427 -6.680) 7.096 7.359 ( -2.878 -1.613 -5.540) 6.448 7.471 ( 3.800 4.099 -1.856) 5.889 7.572 ( 1.831 -5.276 -2.738) 6.220 7.731 ( -3.372 1.920 0.731) 3.949 7.761 ( -3.253 -0.757 -1.084) 3.511 7.899 ( -0.020 2.684 -0.515) 2.734 7.952 ( -1.250 -1.017 1.307) 2.075 7.969 ( 4.756 -0.453 2.183) 5.253 8.026 ( -1.762 -5.682 -1.284) 6.086 8.225 ( -4.013 0.887 -0.712) 4.171 8.288 ( 0.569 -2.986 0.773) 3.137 8.360 ( -2.651 2.678 4.808) 6.109 8.466 ( 1.102 -4.734 6.200) 7.878 8.517 ( 3.332 0.339 -1.734) 3.771 8.527 ( 4.434 -1.226 -2.871) 5.422 8.673 ( -5.890 2.231 -0.861) 6.357 8.727 ( -7.744 -2.118 0.552) 8.047 8.824 ( 0.137 6.783 0.216) 6.787 8.921 ( 1.348 -0.715 -1.079) 1.869 9.137 ( -4.030 -1.553 1.619) 4.612 9.172 ( -2.589 -5.470 3.581) 7.032 9.219 ( -3.594 4.590 -1.629) 6.054 9.356 ( -2.617 -4.220 1.999) 5.353 9.385 ( -0.892 -0.395 4.065) 4.181 9.438 ( -0.561 -1.861 4.316) 4.733 9.723 ( 3.698 5.650 -1.838) 6.998 9.800 ( 3.257 -2.435 -3.045) 5.080 10.026 ( -2.300 3.446 0.069) 4.143 10.077 ( -1.398 0.556 2.119) 2.598 10.118 ( -5.032 5.384 2.344) 7.733 10.200 ( -5.274 -2.380 -0.655) 5.823 10.244 ( 1.783 4.966 -1.336) 5.442 10.371 ( 3.053 -6.527 -0.327) 7.213 10.462 ( -4.071 2.829 1.146) 5.088 10.519 ( 1.474 -2.662 1.248) 3.289 10.652 ( 2.159 5.130 -3.594) 6.625 10.694 ( 1.010 3.162 1.007) 3.469 10.815 ( -1.250 2.875 0.939) 3.273 10.899 ( -7.114 -4.103 5.309) 9.779 11.022 ( -4.846 2.523 -1.044) 5.562 11.060 ( -3.065 -0.885 -2.258) 3.909 11.378 ( -6.685 1.458 -1.946) 7.113 11.437 ( -6.151 -2.877 -1.429) 6.940 11.506 ( -0.870 -1.776 2.949) 3.551 11.596 ( -0.761 -8.442 1.085) 8.546 11.691 ( -3.319 0.866 -4.733) 5.845 11.744 ( -1.367 -4.518 -4.346) 6.416 12.080 ( -4.152 -0.779 3.170) 5.282 12.115 ( -4.602 -4.864 -0.570) 6.721 12.437 ( -3.988 0.559 -3.150) 5.112 12.452 ( -2.240 -0.713 -2.895) 3.730 12.539 ( 2.526 1.586 2.306) 3.771 12.573 ( 4.127 -1.733 2.629) 5.191 13.053 ( -0.330 2.997 -1.591) 3.409 13.103 ( 1.875 -1.753 -1.720) 3.090 13.184 ( 1.676 5.068 -2.967) 6.107 13.301 ( -1.047 -5.706 -3.006) 6.534 13.637 ( 7.096 3.518 -3.821) 8.793 13.654 ( 10.663 1.704 -1.546) 10.908 13.903 ( 5.892 -0.635 0.248) 5.931 13.951 ( 1.360 -4.865 -2.892) 5.821 14.199 ( 4.487 4.085 1.041) 6.157 14.252 ( 6.836 -0.373 4.113) 7.987 14.428 ( 4.373 6.030 -0.822) 7.494 14.593 ( 9.372 -7.988 0.836) 12.343 14.663 ( 0.391 3.378 0.960) 3.534 14.752 ( -3.086 -4.201 -0.541) 5.241 14.885 ( 4.519 5.303 0.744) 7.007 14.939 ( 4.064 -1.095 1.204) 4.378 15.099 ( 11.233 6.846 -0.831) 13.180 15.258 ( 10.935 -5.937 -4.533) 13.242 15.623 ( 0.103 2.688 2.805) 3.886 15.660 ( -0.103 5.716 -1.134) 5.828 15.848 ( -0.948 -1.322 -0.711) 1.776 16.027 ( -3.893 -10.865 0.594) 11.557 16.233 ( 10.235 8.913 -2.274) 13.761 16.416 ( 8.611 -8.458 -0.047) 12.070 16.484 ( 2.809 2.744 2.997) 4.940 16.520 ( -0.158 -0.526 -0.748) 0.928 16.919 ( 2.039 1.494 3.171) 4.055 16.936 ( 2.330 0.005 3.811) 4.467 18.270 ( -3.188 1.753 0.672) 3.699 18.299 ( -1.496 -0.883 -0.183) 1.747 18.435 ( -4.809 3.391 0.629) 5.918 18.524 ( -1.873 -5.668 2.086) 6.323 19.228 ( -8.690 1.915 2.639) 9.281 19.260 ( -9.648 -0.854 0.633) 9.707 19.348 ( -4.777 -0.154 -2.234) 5.276 19.362 ( -5.184 -1.190 -2.008) 5.686 25.044 ( 1.066 3.812 1.442) 4.213 25.080 ( 1.308 3.786 -1.887) 4.428 25.130 ( 5.342 -4.553 2.124) 7.333 25.173 ( 5.826 -5.650 -2.585) 8.518 26.818 ( 0.432 0.933 -0.436) 1.117 26.843 ( 1.174 -1.488 -0.722) 2.028 26.983 ( -0.970 3.022 -0.330) 3.191 27.046 ( 0.420 -2.811 -1.857) 3.396 28.020 ( 0.017 5.102 2.232) 5.569 28.071 ( 1.440 2.815 0.797) 3.261 28.091 ( 2.349 2.101 1.079) 3.331 28.150 ( 3.988 -0.991 -0.985) 4.226 28.525 ( -0.665 4.269 9.235) 10.196 28.560 ( -1.122 0.291 3.029) 3.243 28.702 ( 3.498 1.687 -3.505) 5.232 28.771 ( 4.265 -3.712 0.069) 5.654 28.848 ( 9.043 3.172 -4.168) 10.450 28.894 ( 8.300 -1.182 -2.730) 8.817 29.532 ( -4.664 3.988 -1.553) 6.330 29.619 ( -3.527 -4.231 -8.130) 9.820 29.841 ( -12.449 1.751 2.172) 12.757 29.901 ( -12.889 -4.228 -2.403) 13.776 30.393 ( -1.344 1.494 0.078) 2.012 30.415 ( 1.012 -0.743 0.929) 1.562 30.578 ( 7.223 2.449 0.732) 7.662 30.618 ( 9.882 -0.865 0.002) 9.920 31.099 ( -11.870 1.125 6.676) 13.665 31.213 ( -9.715 -9.917 -0.331) 13.887 ======================= Grid point 86 (50/54) ======================= q-point: ( 0.29 0.40 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 Number of triplets: 88 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.862 ( 6.719 9.846 -2.379) 12.156 2.010 ( 10.944 9.016 5.108) 15.072 2.066 ( -2.894 -7.310 -2.178) 8.158 2.166 ( 8.251 -5.482 2.042) 10.114 2.474 ( -6.813 5.072 5.509) 10.124 2.576 ( -9.721 -4.458 8.406) 13.603 2.709 ( 5.650 13.523 1.729) 14.758 2.866 ( 5.333 0.233 1.072) 5.444 2.987 ( 8.003 9.487 -5.549) 13.596 3.105 ( 5.686 0.089 -2.438) 6.187 3.208 ( 1.266 8.939 -7.212) 11.555 3.275 ( -0.578 1.531 8.124) 8.287 3.309 ( -4.699 0.693 5.578) 7.327 3.348 ( -2.438 0.325 -6.464) 6.916 3.475 ( -2.559 7.250 -6.199) 9.876 3.559 ( 4.771 -5.092 -11.681) 13.607 3.716 ( 4.760 1.237 -2.769) 5.644 3.757 ( 4.035 -1.037 1.860) 4.563 3.878 ( -4.185 1.723 2.161) 5.015 3.962 ( -11.106 -4.271 4.193) 12.616 4.011 ( 3.188 2.797 -0.328) 4.254 4.070 ( 1.069 -1.713 -1.259) 2.379 4.166 ( 3.211 5.707 -1.656) 6.755 4.297 ( 2.608 -2.216 -2.949) 4.517 4.420 ( 3.350 3.296 -5.056) 6.903 4.461 ( 9.119 2.880 -4.665) 10.640 4.523 ( 1.161 -5.135 -0.999) 5.358 4.568 ( -4.361 -0.719 1.206) 4.582 4.678 ( 2.840 -1.275 -1.818) 3.605 4.734 ( -0.870 -1.159 3.673) 3.949 4.783 ( 12.276 5.260 7.374) 15.256 4.815 ( 3.223 0.681 10.056) 10.582 4.874 ( 4.742 1.715 -0.674) 5.087 4.902 ( 1.753 -0.826 0.963) 2.164 5.051 ( 0.317 1.013 8.384) 8.451 5.097 ( 6.221 1.442 2.678) 6.924 5.132 ( 3.237 4.911 9.766) 11.400 5.283 ( 5.833 -5.050 -1.195) 7.807 5.374 ( 5.044 7.341 -0.788) 8.941 5.471 ( 2.280 5.117 -3.941) 6.850 5.520 ( -1.550 -1.284 -2.825) 3.469 5.594 ( 12.883 -7.101 1.144) 14.755 5.636 ( 2.107 -1.431 -3.163) 4.061 5.691 ( 0.301 -3.564 -2.337) 4.272 5.766 ( -3.365 3.149 -2.282) 5.142 5.916 ( -1.233 -10.059 -3.323) 10.665 5.946 ( 5.245 10.429 1.024) 11.719 6.086 ( 5.073 5.926 -1.532) 7.950 6.142 ( 11.331 0.159 0.126) 11.333 6.203 ( -1.430 -5.402 -3.798) 6.757 6.235 ( 0.239 -1.312 5.850) 6.000 6.249 ( -1.444 -3.931 3.251) 5.301 6.359 ( -3.419 -3.169 -7.919) 9.189 6.411 ( -1.302 -4.746 -1.427) 5.124 6.531 ( -4.076 4.455 -2.939) 6.716 6.607 ( -2.937 -5.742 -3.626) 7.399 6.782 ( -2.575 3.376 6.290) 7.589 6.885 ( -0.929 0.998 4.020) 4.245 6.925 ( -0.134 -3.094 8.806) 9.335 7.026 ( -0.986 -5.469 1.029) 5.651 7.152 ( -3.672 2.678 3.108) 5.506 7.239 ( -4.070 -6.377 -0.598) 7.589 7.320 ( -1.527 3.349 1.669) 4.042 7.356 ( 0.014 -1.458 -4.091) 4.343 7.534 ( -3.437 -0.551 -2.768) 4.447 7.540 ( -7.014 -1.488 -2.887) 7.730 7.614 ( -2.924 1.193 0.660) 3.226 7.659 ( -4.994 -3.109 0.794) 5.936 7.878 ( -4.028 1.242 -0.946) 4.320 7.916 ( -2.300 -2.663 0.237) 3.527 7.997 ( -1.323 -0.460 0.487) 1.483 8.030 ( 0.088 -3.076 -0.763) 3.171 8.174 ( -1.561 2.997 -1.719) 3.791 8.243 ( -6.517 -3.071 -2.893) 7.764 8.308 ( -0.553 5.605 3.826) 6.808 8.432 ( -2.487 -4.595 1.183) 5.357 8.509 ( -4.237 0.810 0.028) 4.314 8.542 ( -8.101 -1.328 -3.653) 8.985 8.639 ( 2.712 0.049 -2.359) 3.595 8.657 ( 2.968 -1.461 0.631) 3.367 8.850 ( 4.002 7.151 3.173) 8.788 8.943 ( 2.417 -0.208 0.206) 2.434 9.092 ( -0.696 -1.326 -0.016) 1.497 9.122 ( -2.328 -4.156 4.326) 6.435 9.169 ( -1.754 1.791 -2.678) 3.668 9.266 ( -5.666 -6.648 -2.760) 9.161 9.379 ( -0.859 1.863 3.395) 3.967 9.420 ( -1.091 -2.644 2.074) 3.533 9.759 ( -0.551 3.262 0.414) 3.335 9.818 ( -2.131 -2.389 -2.024) 3.788 9.996 ( -2.631 6.421 3.501) 7.772 10.041 ( -0.015 2.443 1.838) 3.058 10.108 ( 1.542 0.750 -0.818) 1.900 10.132 ( 2.613 -3.094 -2.959) 5.016 10.330 ( 5.402 5.663 -0.648) 7.854 10.347 ( -6.682 4.854 6.158) 10.302 10.426 ( 1.453 -4.320 2.034) 4.991 10.478 ( -4.333 -4.645 2.710) 6.907 10.638 ( -3.498 4.342 -1.617) 5.806 10.680 ( -0.031 4.451 -2.123) 4.932 10.716 ( -6.298 -3.401 1.243) 7.265 10.756 ( -3.933 -1.193 -2.139) 4.633 11.026 ( 2.287 1.503 0.094) 2.738 11.083 ( 2.705 -1.723 0.708) 3.285 11.276 ( -3.382 0.552 -4.414) 5.588 11.327 ( -5.202 -4.373 -5.214) 8.566 11.488 ( -3.847 1.242 -1.445) 4.293 11.534 ( -2.166 -0.150 -1.752) 2.790 11.653 ( 0.978 1.117 -1.272) 1.955 11.758 ( 3.534 -5.730 -2.568) 7.205 11.983 ( -5.263 0.440 3.403) 6.283 12.044 ( -3.340 -5.983 4.643) 8.277 12.355 ( -4.193 0.769 0.483) 4.291 12.399 ( -2.981 -3.067 -1.620) 4.574 12.592 ( 0.588 5.360 3.897) 6.653 12.666 ( 4.702 -1.827 5.086) 7.163 12.873 ( -11.146 3.697 -3.491) 12.252 12.938 ( -10.517 -2.975 -5.749) 12.349 13.283 ( 3.563 3.718 -1.829) 5.465 13.351 ( 0.477 -3.190 -2.386) 4.012 13.765 ( 5.743 2.581 -4.366) 7.661 13.820 ( 5.372 -1.702 -4.620) 7.287 14.004 ( 2.782 -0.685 -0.216) 2.873 14.016 ( 2.741 -0.985 1.787) 3.417 14.330 ( 10.288 1.457 1.676) 10.525 14.392 ( 8.253 -4.385 1.436) 9.455 14.572 ( 8.623 8.272 0.110) 11.950 14.711 ( 4.815 -3.028 -1.690) 5.934 14.763 ( 6.344 -0.703 -2.993) 7.050 14.811 ( 7.783 -3.784 0.191) 8.656 14.977 ( 5.047 5.543 1.858) 7.724 15.052 ( 5.448 -1.964 1.202) 5.915 15.318 ( 9.177 4.897 2.648) 10.734 15.443 ( 8.837 -4.197 -4.517) 10.776 15.593 ( -4.155 5.778 6.471) 9.619 15.658 ( 0.641 3.280 0.611) 3.397 15.884 ( 2.348 -5.171 -1.181) 5.800 15.925 ( -2.191 -7.983 2.618) 8.682 16.326 ( -2.272 4.833 -2.791) 6.026 16.385 ( -5.124 -1.679 -1.360) 5.560 16.651 ( 13.773 4.465 -2.440) 14.682 16.760 ( 15.462 -6.188 -2.669) 16.867 16.963 ( 1.583 2.383 3.356) 4.410 16.988 ( 2.380 -0.044 4.556) 5.140 18.199 ( -3.273 3.635 -0.437) 4.911 18.258 ( -2.185 -2.184 -1.556) 3.459 18.344 ( -4.870 4.619 1.105) 6.802 18.449 ( -5.777 -5.783 2.313) 8.495 19.024 ( -10.700 1.073 1.215) 10.822 19.042 ( -11.125 -0.531 -0.143) 11.139 19.239 ( -4.991 0.577 -1.080) 5.139 19.267 ( -4.293 -2.048 -1.442) 4.971 25.078 ( 1.758 6.283 2.784) 7.093 25.120 ( 2.625 6.401 -3.452) 7.732 25.235 ( 4.763 -9.204 3.556) 10.956 25.295 ( 6.253 -11.394 -4.381) 13.716 26.833 ( 1.077 1.876 -0.600) 2.245 26.863 ( 0.743 -0.792 -0.551) 1.218 26.968 ( -0.450 3.919 -0.711) 4.008 27.037 ( -1.220 -2.476 -1.602) 3.192 28.039 ( 1.871 6.407 2.496) 7.126 28.115 ( 2.784 0.320 2.182) 3.551 28.142 ( 2.264 6.225 0.774) 6.669 28.231 ( 3.463 -0.893 -0.571) 3.621 28.502 ( -1.208 4.590 7.411) 8.801 28.555 ( 0.803 -0.863 0.075) 1.181 28.800 ( 6.250 1.227 -4.830) 7.994 28.866 ( 4.641 -4.071 0.033) 6.174 29.033 ( 7.713 4.620 -2.665) 9.378 29.104 ( 11.980 -2.738 -3.737) 12.845 29.444 ( -2.539 1.764 2.961) 4.281 29.508 ( -7.675 -4.304 -1.459) 8.919 29.630 ( -7.886 1.372 -0.727) 8.037 29.679 ( -6.895 -3.421 -2.200) 8.005 30.314 ( -8.224 3.518 0.297) 8.950 30.381 ( -6.846 -3.102 0.105) 7.517 30.667 ( 1.071 4.931 4.662) 6.870 30.780 ( 4.382 -5.029 4.559) 8.079 30.864 ( -7.580 5.500 -0.847) 9.403 31.032 ( -5.991 -10.054 -3.760) 12.293 ======================= Grid point 87 (51/54) ======================= q-point: ( 0.43 0.40 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 Number of triplets: 88 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.961 ( 4.542 7.536 -0.259) 8.803 2.005 ( 2.502 7.288 7.831) 10.986 2.078 ( -7.348 1.214 -2.285) 7.790 2.202 ( -6.942 -4.770 4.091) 9.363 2.491 ( 8.974 3.124 -0.938) 9.548 2.565 ( 5.208 -1.975 -5.629) 7.919 2.871 ( 8.889 8.809 10.124) 16.097 2.930 ( 0.612 4.148 11.391) 12.138 3.031 ( 3.503 5.938 -3.997) 7.969 3.093 ( -6.811 -0.998 1.709) 7.093 3.193 ( 0.876 3.169 -3.843) 5.058 3.234 ( -1.687 -2.932 0.350) 3.400 3.315 ( -4.228 10.588 -1.878) 11.555 3.368 ( 1.169 7.526 -9.599) 12.254 3.556 ( 8.898 8.617 -6.033) 13.778 3.616 ( -5.657 2.728 -2.902) 6.918 3.704 ( 2.594 -3.091 -0.791) 4.112 3.782 ( 0.777 -8.388 3.334) 9.060 3.859 ( 2.479 -1.838 0.670) 3.158 3.892 ( 1.638 -4.643 -2.085) 5.347 4.013 ( -4.631 3.544 -5.016) 7.692 4.051 ( -2.823 -0.622 -2.362) 3.733 4.199 ( 1.702 3.291 -2.456) 4.445 4.249 ( -0.007 -0.309 -6.674) 6.681 4.413 ( 0.628 -0.469 3.991) 4.068 4.437 ( 0.883 -0.178 2.979) 3.112 4.525 ( -6.419 3.168 0.247) 7.162 4.661 ( -0.660 -6.620 1.457) 6.811 4.693 ( -4.824 1.452 0.958) 5.128 4.753 ( -0.541 -3.889 0.088) 3.928 4.841 ( 9.531 1.988 -3.414) 10.317 4.887 ( -0.254 -4.148 -0.344) 4.170 4.904 ( 4.860 7.125 4.174) 9.581 5.008 ( -2.602 0.034 0.719) 2.699 5.075 ( 5.230 -1.975 1.217) 5.722 5.148 ( 0.997 -6.300 4.158) 7.614 5.271 ( 0.157 4.193 0.675) 4.250 5.316 ( 1.073 2.973 -2.639) 4.118 5.403 ( 1.457 7.980 2.038) 8.364 5.464 ( -2.934 0.978 -3.687) 4.812 5.552 ( 1.354 -1.270 -0.398) 1.898 5.577 ( -0.059 -3.997 3.484) 5.303 5.773 ( 2.130 -0.642 -3.789) 4.394 5.799 ( 1.579 0.504 -3.789) 4.135 5.837 ( 8.161 -0.104 8.718) 11.942 5.940 ( 1.102 -3.642 3.294) 5.033 6.015 ( -0.387 -0.603 -0.634) 0.956 6.065 ( -7.212 0.787 2.087) 7.550 6.126 ( 2.792 4.800 3.087) 6.353 6.209 ( -1.244 -0.577 2.854) 3.166 6.289 ( 5.488 -1.931 4.268) 7.215 6.351 ( 3.649 -7.658 -1.008) 8.543 6.415 ( 4.688 1.912 3.978) 6.439 6.449 ( 3.150 0.905 -1.356) 3.547 6.587 ( 6.556 -1.117 -1.093) 6.740 6.628 ( 12.501 -2.028 -4.843) 13.559 6.830 ( 6.948 6.639 1.975) 9.811 6.873 ( -1.841 6.495 2.551) 7.217 6.926 ( -8.276 -3.232 4.188) 9.823 7.011 ( 2.185 -2.169 5.272) 6.105 7.027 ( -8.559 -1.828 -2.239) 9.034 7.125 ( -3.471 -7.076 -4.519) 9.085 7.310 ( -1.813 -0.177 1.560) 2.398 7.334 ( 3.348 -0.462 9.421) 10.009 7.421 ( -1.770 -1.208 -1.214) 2.463 7.461 ( -2.108 -2.912 0.820) 3.687 7.508 ( -8.057 3.379 -1.430) 8.853 7.581 ( -4.456 -2.712 -4.226) 6.713 7.815 ( -1.572 0.045 -0.947) 1.836 7.841 ( -4.624 -4.465 -0.076) 6.429 7.907 ( -4.742 3.106 -2.892) 6.364 7.976 ( -5.302 -2.806 -5.201) 7.940 8.140 ( 0.836 -1.872 -1.730) 2.683 8.172 ( -3.436 -3.406 -0.545) 4.869 8.322 ( 1.855 2.425 -0.624) 3.117 8.394 ( -1.893 -3.420 -0.214) 3.915 8.421 ( -2.310 1.040 -5.614) 6.159 8.451 ( -1.601 -0.832 -2.832) 3.358 8.649 ( 0.540 2.251 -0.875) 2.475 8.678 ( -0.786 -0.722 -0.854) 1.367 8.969 ( 5.112 4.941 5.003) 8.694 9.011 ( 2.724 1.732 0.856) 3.340 9.082 ( -1.661 -1.978 2.551) 3.630 9.095 ( 0.863 -2.146 2.716) 3.567 9.142 ( -0.708 -0.352 -2.196) 2.334 9.173 ( -2.553 -2.412 -1.155) 3.697 9.360 ( -0.699 -0.825 0.577) 1.225 9.398 ( -1.108 -4.591 -1.513) 4.959 9.719 ( -2.378 2.042 0.695) 3.210 9.758 ( -2.609 -1.628 -2.703) 4.095 9.989 ( 2.118 6.248 5.078) 8.325 10.046 ( -0.676 0.616 6.537) 6.601 10.173 ( 2.605 0.493 0.958) 2.819 10.208 ( 4.205 -1.787 -4.385) 6.333 10.253 ( -2.339 2.251 3.458) 4.743 10.313 ( -5.903 -1.797 3.218) 6.959 10.417 ( 3.264 7.764 -0.437) 8.433 10.541 ( 4.216 -4.868 -0.948) 6.509 10.564 ( -2.910 3.955 -3.159) 5.838 10.636 ( -2.716 -3.766 -1.485) 4.875 10.673 ( -0.800 2.177 -1.627) 2.833 10.708 ( -1.327 -0.162 -2.236) 2.605 11.061 ( 1.378 0.432 2.943) 3.278 11.131 ( -0.067 -5.085 1.569) 5.323 11.232 ( 1.351 2.254 -3.240) 4.171 11.281 ( 0.318 -1.170 -4.922) 5.069 11.382 ( -4.752 -0.476 -0.495) 4.802 11.456 ( -5.296 -6.131 -4.774) 9.404 11.769 ( 7.391 6.332 0.491) 9.744 11.851 ( 1.971 -1.936 -0.618) 2.831 11.899 ( 0.573 1.928 0.104) 2.015 11.947 ( -7.209 -1.762 4.537) 8.699 12.287 ( -2.262 1.855 6.056) 6.726 12.373 ( 1.273 -5.455 3.240) 6.471 12.530 ( -3.777 5.699 -2.216) 7.187 12.657 ( -6.859 -4.704 -1.689) 8.487 12.781 ( 2.670 3.416 0.436) 4.358 12.858 ( 0.409 -4.091 -4.820) 6.335 13.287 ( -1.568 1.358 -1.275) 2.435 13.306 ( -2.894 -0.575 -1.888) 3.503 13.852 ( 2.734 1.885 0.280) 3.332 13.891 ( 1.229 -0.914 0.174) 1.542 14.006 ( 0.327 -0.472 -4.152) 4.192 14.027 ( -1.223 -1.664 -1.773) 2.721 14.532 ( 7.376 -0.870 1.495) 7.576 14.549 ( 5.470 -2.270 1.401) 6.086 14.717 ( 5.264 2.966 0.370) 6.053 14.770 ( 1.141 -2.390 -1.355) 2.975 14.885 ( 2.730 2.973 1.791) 4.416 14.917 ( 4.322 1.287 -2.448) 5.131 15.069 ( 3.343 -0.397 -0.944) 3.496 15.104 ( -0.491 -2.193 -0.247) 2.261 15.430 ( 0.901 9.159 4.363) 10.185 15.482 ( -1.860 8.070 0.085) 8.282 15.598 ( 2.555 -2.925 1.863) 4.308 15.632 ( -1.293 -9.809 4.308) 10.791 15.933 ( 6.008 2.697 3.604) 7.507 16.006 ( 4.199 -5.812 2.967) 7.760 16.255 ( -3.477 0.242 -5.661) 6.648 16.276 ( -4.739 -2.057 -4.616) 6.928 16.872 ( 6.169 5.110 1.047) 8.078 16.928 ( -0.111 1.152 2.251) 2.531 17.012 ( 2.854 -0.392 0.802) 2.991 17.034 ( 4.699 -1.844 -3.228) 5.991 18.178 ( 1.595 4.004 -0.787) 4.382 18.235 ( -4.774 2.633 1.161) 5.575 18.249 ( 0.933 -1.621 -1.953) 2.705 18.316 ( -7.161 -3.619 1.234) 8.118 18.870 ( -4.239 0.872 0.752) 4.393 18.886 ( -3.872 -0.611 -1.085) 4.068 19.176 ( -1.442 0.351 0.278) 1.510 19.206 ( -1.814 -2.513 -1.823) 3.596 25.101 ( 0.339 7.421 3.350) 8.149 25.164 ( 1.622 7.667 -4.081) 8.836 25.302 ( 1.645 -11.972 4.326) 12.836 25.388 ( 2.956 -14.321 -5.202) 15.520 26.855 ( 0.838 2.298 -0.312) 2.466 26.870 ( 0.151 0.956 -1.025) 1.409 26.968 ( 0.386 2.233 -0.122) 2.269 27.003 ( -1.912 -0.959 -1.247) 2.476 28.091 ( 3.159 6.893 2.487) 7.980 28.153 ( -0.899 4.787 1.308) 5.043 28.178 ( 2.907 3.517 2.344) 5.130 28.256 ( -0.998 0.904 -0.769) 1.551 28.506 ( 1.128 4.667 5.965) 7.658 28.586 ( 1.416 -2.758 -0.799) 3.201 28.881 ( -3.750 0.574 2.020) 4.298 28.916 ( 5.010 -2.979 -7.477) 9.481 29.144 ( 6.410 3.504 -0.618) 7.331 29.248 ( 0.600 -6.308 -2.347) 6.757 29.356 ( -3.857 0.510 -2.930) 4.870 29.391 ( -6.098 -2.535 -1.508) 6.774 29.674 ( 12.266 1.717 3.334) 12.826 29.714 ( 10.058 -1.890 2.018) 10.431 30.069 ( -14.766 2.568 0.939) 15.017 30.128 ( -16.129 -3.065 -0.175) 16.418 30.671 ( 0.317 3.677 5.028) 6.237 30.741 ( -1.476 -2.395 1.601) 3.237 30.896 ( 2.488 1.570 -0.805) 3.050 30.984 ( -0.682 -6.282 -4.886) 7.987 ======================= Grid point 88 (52/54) ======================= q-point: (-0.43 0.40 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 Number of triplets: 88 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.888 ( -6.829 9.055 6.294) 12.971 2.012 ( -2.989 -2.942 2.490) 4.877 2.124 ( 4.598 7.828 2.024) 9.302 2.229 ( 10.276 -0.815 -2.580) 10.626 2.512 ( -5.583 -0.219 -0.864) 5.654 2.525 ( -5.140 -2.061 -1.189) 5.664 2.881 ( -6.168 8.231 5.215) 11.532 2.974 ( 2.949 2.784 8.954) 9.830 3.050 ( -4.454 4.164 -2.617) 6.635 3.120 ( -1.370 -0.976 -1.807) 2.468 3.178 ( -2.286 6.061 1.810) 6.726 3.240 ( 1.830 12.635 -4.662) 13.591 3.277 ( 8.890 -0.385 -5.581) 10.504 3.367 ( -1.520 1.075 -6.266) 6.536 3.432 ( -3.533 11.691 3.066) 12.592 3.657 ( -12.522 -8.832 -0.354) 15.327 3.751 ( 8.016 3.800 -1.693) 9.032 3.814 ( -1.495 2.233 -4.340) 5.104 3.890 ( 1.901 0.009 0.985) 2.141 3.929 ( 3.378 -3.927 -4.790) 7.055 3.965 ( 1.792 3.037 -5.866) 6.845 4.069 ( 5.225 -4.852 -3.577) 7.978 4.148 ( -3.335 3.160 1.892) 4.968 4.239 ( -4.376 -6.122 -5.843) 9.527 4.450 ( -4.867 -0.485 1.481) 5.111 4.464 ( 2.733 0.740 -0.839) 2.953 4.493 ( 3.451 2.418 1.542) 4.487 4.595 ( 1.979 -3.152 8.163) 8.972 4.651 ( -3.090 -2.574 6.376) 7.539 4.749 ( 2.114 -5.718 0.701) 6.136 4.772 ( -8.435 3.982 0.401) 9.336 4.838 ( -5.444 -2.390 1.536) 6.140 4.961 ( 1.715 2.993 2.767) 4.422 5.075 ( 6.578 -1.146 -2.711) 7.206 5.157 ( 2.090 5.439 -7.327) 9.362 5.205 ( 2.897 0.721 1.889) 3.533 5.250 ( -9.670 6.501 1.173) 11.711 5.301 ( -2.486 0.231 0.139) 2.501 5.401 ( 0.358 0.155 0.139) 0.414 5.439 ( -2.118 0.513 -1.682) 2.753 5.473 ( -2.744 5.600 6.281) 8.851 5.582 ( -0.352 -5.370 2.997) 6.160 5.716 ( -4.890 -1.253 3.454) 6.116 5.760 ( -3.689 -6.554 2.424) 7.902 5.827 ( -4.329 0.170 4.982) 6.602 5.898 ( -5.846 -4.753 3.020) 8.117 6.064 ( 4.846 0.953 0.326) 4.949 6.092 ( 3.351 2.180 -2.534) 4.734 6.152 ( 1.367 1.040 2.519) 3.049 6.202 ( -2.417 5.504 -0.886) 6.076 6.240 ( -4.450 -0.763 2.693) 5.257 6.371 ( -4.136 -7.762 -0.437) 8.806 6.408 ( -3.822 0.750 4.342) 5.833 6.513 ( 1.698 -4.619 -0.972) 5.016 6.648 ( -13.677 1.583 -6.860) 15.383 6.682 ( -11.240 -1.320 -7.223) 13.426 6.815 ( 2.767 6.643 2.040) 7.480 6.864 ( 6.040 2.032 8.243) 10.419 6.949 ( 7.757 -4.013 -2.470) 9.076 6.998 ( -4.313 -5.185 7.233) 9.890 7.048 ( 12.980 1.321 -5.033) 13.984 7.110 ( -1.228 -2.884 -3.784) 4.914 7.316 ( 2.591 5.411 -0.257) 6.004 7.384 ( 1.678 3.840 -0.546) 4.226 7.463 ( 0.332 -2.386 0.501) 2.461 7.475 ( -1.193 -7.227 -3.368) 8.062 7.506 ( 9.738 3.463 5.408) 11.664 7.566 ( 9.020 -0.732 -1.273) 9.139 7.775 ( -1.283 -0.171 -0.619) 1.435 7.793 ( 1.789 -2.085 1.946) 3.367 7.902 ( 4.063 -2.813 0.558) 4.973 7.944 ( 2.217 -4.006 -4.710) 6.569 8.116 ( -0.676 -0.406 1.099) 1.353 8.178 ( 2.546 -5.684 -0.694) 6.267 8.354 ( 1.413 2.967 -2.822) 4.332 8.380 ( 2.492 1.684 -1.882) 3.548 8.436 ( 0.898 -2.776 -3.307) 4.410 8.438 ( 1.221 -1.932 -2.610) 3.469 8.653 ( -0.393 2.886 -1.132) 3.124 8.693 ( 2.541 -0.459 -2.257) 3.429 8.963 ( -3.208 4.701 2.693) 6.296 9.042 ( -2.234 -1.283 0.232) 2.587 9.088 ( 2.073 1.505 2.137) 3.336 9.100 ( -1.283 -2.672 0.850) 3.083 9.129 ( 0.564 0.054 0.381) 0.682 9.163 ( 0.246 -2.395 0.676) 2.501 9.366 ( 2.047 -0.998 -0.744) 2.396 9.411 ( 2.496 -4.566 -3.229) 6.124 9.698 ( 0.639 1.536 2.989) 3.421 9.733 ( 0.325 -1.815 -0.538) 1.921 10.000 ( -2.164 4.482 5.803) 7.645 10.048 ( 0.969 1.149 6.095) 6.277 10.175 ( -2.448 2.872 -2.264) 4.400 10.209 ( -2.503 0.857 -0.169) 2.651 10.226 ( -1.762 0.369 0.878) 2.003 10.315 ( 4.781 -4.791 2.721) 7.294 10.474 ( 0.433 7.363 1.099) 7.457 10.545 ( 4.247 7.030 -6.230) 10.309 10.580 ( -3.533 -2.663 -2.759) 5.214 10.625 ( 2.657 -0.551 -1.312) 3.014 10.659 ( 1.788 -2.163 0.058) 2.807 10.704 ( 1.357 -3.871 -2.178) 4.644 11.075 ( -0.289 2.463 1.795) 3.062 11.134 ( 2.513 -2.363 -0.433) 3.477 11.208 ( -5.213 -0.293 2.354) 5.728 11.240 ( -5.548 -2.292 -3.404) 6.901 11.389 ( 5.974 -1.305 -0.866) 6.176 11.448 ( 4.290 -5.091 -3.862) 7.697 11.735 ( -7.635 2.726 2.785) 8.572 11.773 ( -5.842 -1.260 5.349) 8.020 11.934 ( 5.156 5.176 -1.656) 7.491 12.018 ( 4.741 -3.058 -1.765) 5.911 12.331 ( 7.376 5.855 5.795) 11.058 12.417 ( 2.104 -1.433 -3.557) 4.374 12.539 ( 2.192 -1.063 -1.211) 2.720 12.589 ( 4.270 -2.843 0.457) 5.150 12.792 ( -2.070 2.177 0.961) 3.154 12.853 ( -1.357 -4.027 -4.756) 6.378 13.280 ( 1.309 1.211 -0.431) 1.835 13.302 ( 2.179 -0.768 -1.685) 2.860 13.816 ( -5.219 1.679 2.770) 6.143 13.857 ( -5.333 -1.699 2.810) 6.263 14.011 ( 1.184 1.076 -3.833) 4.153 14.057 ( 2.564 -2.781 -3.743) 5.322 14.541 ( -6.339 -0.532 0.862) 6.419 14.559 ( -4.672 -2.503 0.629) 5.337 14.732 ( -5.280 1.085 -1.417) 5.573 14.753 ( -1.528 -0.655 0.431) 1.718 14.858 ( -5.166 4.016 1.586) 6.733 14.928 ( -4.528 -1.183 -0.215) 4.685 15.050 ( -2.491 2.282 -0.292) 3.391 15.101 ( -0.720 -2.996 0.521) 3.125 15.368 ( -2.726 7.670 6.246) 10.261 15.479 ( -5.515 0.263 4.291) 6.993 15.600 ( 5.643 2.661 -0.409) 6.252 15.721 ( 3.517 -6.655 -1.753) 7.729 15.940 ( -4.895 2.743 2.761) 6.254 16.008 ( -4.792 -5.262 3.398) 7.887 16.233 ( 3.157 2.026 -4.841) 6.124 16.281 ( 3.886 -3.689 -4.693) 7.123 16.812 ( -8.390 4.838 4.773) 10.797 16.902 ( -5.661 -3.196 4.170) 7.723 17.047 ( 1.395 4.018 -4.679) 6.323 17.103 ( 1.352 -1.296 -4.869) 5.217 18.158 ( -1.230 2.914 0.869) 3.280 18.213 ( -1.573 -2.238 1.290) 3.024 18.257 ( 4.730 3.883 -0.420) 6.134 18.337 ( 6.640 -3.671 -0.968) 7.648 18.877 ( 4.807 1.482 -0.172) 5.033 18.901 ( 5.230 -0.911 -2.111) 5.713 19.181 ( 1.873 -0.609 0.722) 2.098 19.194 ( 0.658 -2.048 -1.648) 2.710 25.091 ( -1.374 7.395 3.273) 8.203 25.172 ( -0.673 7.364 -3.824) 8.325 25.295 ( -2.447 -11.992 4.096) 12.906 25.396 ( -2.020 -14.054 -5.166) 15.109 26.849 ( -0.922 2.940 -0.148) 3.085 26.880 ( 0.281 0.208 -1.686) 1.722 26.962 ( -0.926 2.125 0.414) 2.355 26.993 ( 1.045 -0.668 -0.200) 1.256 28.112 ( -2.716 7.144 0.442) 7.656 28.146 ( 1.614 4.743 1.893) 5.356 28.209 ( -2.521 3.257 -0.583) 4.160 28.230 ( 1.256 2.177 2.038) 3.236 28.507 ( -2.064 2.927 4.932) 6.095 28.578 ( -1.804 -4.220 1.899) 4.967 28.802 ( -2.986 5.588 0.824) 6.389 28.955 ( -1.501 -8.119 -3.489) 8.963 29.176 ( -4.230 2.573 -4.426) 6.640 29.226 ( -4.758 -2.036 -0.479) 5.198 29.349 ( 7.495 1.164 -1.412) 7.715 29.404 ( 6.923 -4.223 -2.527) 8.494 29.721 ( -10.552 1.321 -1.536) 10.745 29.746 ( -9.733 -0.924 -1.338) 9.868 30.054 ( 13.904 0.555 2.822) 14.198 30.084 ( 15.945 -2.050 3.879) 16.538 30.690 ( 1.764 3.568 4.860) 6.282 30.746 ( 1.880 -0.716 -0.514) 2.076 30.902 ( -1.916 -1.005 1.369) 2.560 30.955 ( -2.477 -5.046 -4.665) 7.305 ======================= Grid point 89 (53/54) ======================= q-point: (-0.29 0.40 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 Number of triplets: 88 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.761 ( -7.943 4.992 7.311) 11.894 1.852 ( -14.460 -2.617 12.712) 19.431 2.130 ( -0.455 5.643 -4.383) 7.160 2.271 ( -8.637 -6.401 -3.576) 11.329 2.522 ( 12.334 8.536 -2.000) 15.132 2.655 ( 12.998 -3.312 3.656) 13.903 2.767 ( -3.054 13.025 6.375) 14.819 2.891 ( -9.955 9.671 -9.679) 16.921 2.984 ( -9.395 2.951 -6.021) 11.542 3.063 ( 3.914 4.098 9.071) 10.696 3.088 ( -5.475 -0.162 -4.960) 7.389 3.155 ( -11.636 -2.017 5.666) 13.099 3.314 ( -0.561 6.386 3.991) 7.551 3.448 ( 4.673 -4.796 -3.704) 7.652 3.462 ( 2.779 9.359 -8.272) 12.796 3.584 ( 6.670 1.702 -7.582) 10.241 3.677 ( -5.945 -0.141 2.747) 6.551 3.746 ( -6.659 -4.038 -0.276) 7.793 3.921 ( -0.811 1.854 -0.708) 2.144 3.988 ( -2.322 -3.825 1.704) 4.788 4.053 ( 1.789 3.952 -1.137) 4.484 4.092 ( 2.885 1.623 -1.606) 3.678 4.191 ( 6.693 1.244 -2.027) 7.103 4.220 ( 3.252 -2.322 -4.850) 6.284 4.306 ( -11.776 2.482 4.535) 12.861 4.403 ( -8.961 -3.783 1.179) 9.798 4.524 ( -0.874 0.274 0.294) 0.962 4.592 ( 2.798 -5.137 1.317) 5.996 4.624 ( 0.183 3.272 3.662) 4.914 4.727 ( -8.785 0.360 8.210) 12.030 4.762 ( 3.261 2.701 3.243) 5.333 4.861 ( 1.503 -2.870 0.460) 3.272 4.905 ( -5.539 4.065 1.536) 7.041 4.937 ( -3.743 0.764 -0.591) 3.866 5.125 ( -10.585 7.072 -1.075) 12.776 5.196 ( -3.158 6.043 -0.455) 6.834 5.249 ( -6.285 2.310 -0.020) 6.696 5.280 ( 0.275 1.283 -4.611) 4.794 5.353 ( 4.076 0.644 3.235) 5.244 5.358 ( -1.189 -2.339 7.124) 7.592 5.417 ( 0.663 2.992 -0.972) 3.215 5.556 ( -9.501 -7.413 0.393) 12.057 5.645 ( -9.021 -0.153 0.161) 9.023 5.688 ( -4.513 -0.952 2.418) 5.208 5.730 ( 3.764 -4.826 -0.503) 6.140 5.800 ( -2.540 -12.235 9.267) 15.557 6.031 ( -7.265 5.790 -9.592) 13.353 6.093 ( -1.396 11.091 -2.713) 11.503 6.131 ( -3.787 5.183 4.144) 7.640 6.190 ( -9.049 -2.891 -4.156) 10.369 6.240 ( 5.507 -4.508 0.274) 7.122 6.294 ( 4.407 2.385 -3.081) 5.883 6.387 ( 2.096 -3.852 -1.551) 4.652 6.441 ( -1.470 -5.663 -0.831) 5.910 6.515 ( 0.541 -4.533 -5.857) 7.426 6.574 ( -1.084 -6.286 0.243) 6.383 6.835 ( 4.789 5.007 1.865) 7.175 6.896 ( 0.782 4.935 2.061) 5.405 6.998 ( 2.199 -5.679 3.997) 7.284 7.042 ( -0.255 -5.253 -1.210) 5.396 7.113 ( 2.085 2.522 2.855) 4.343 7.222 ( 0.022 -8.316 -1.590) 8.466 7.377 ( 3.793 5.885 -6.045) 9.250 7.433 ( -0.331 1.854 2.415) 3.063 7.468 ( 4.034 -3.176 -0.914) 5.215 7.500 ( -0.038 -3.789 -0.077) 3.790 7.643 ( 6.512 5.835 -4.264) 9.728 7.711 ( 4.754 -1.253 -3.416) 5.986 7.826 ( 6.004 1.684 3.640) 7.220 7.894 ( 4.005 -3.394 2.699) 5.903 8.005 ( 3.852 -1.968 0.809) 4.401 8.028 ( 5.865 -2.328 -1.203) 6.424 8.172 ( 5.352 -0.675 -0.096) 5.396 8.212 ( 1.558 -4.372 -1.601) 4.910 8.386 ( 0.066 3.256 -1.396) 3.543 8.426 ( 1.617 0.703 -0.857) 1.960 8.489 ( 4.808 -0.938 2.110) 5.334 8.508 ( 6.015 -1.099 -0.954) 6.189 8.650 ( 0.178 2.421 -2.053) 3.179 8.712 ( -1.968 -2.875 -4.276) 5.516 8.871 ( -4.741 6.325 0.096) 7.905 8.964 ( -4.574 -2.291 -2.219) 5.576 9.066 ( 0.116 1.425 2.431) 2.820 9.103 ( 0.346 1.899 3.465) 3.966 9.183 ( 2.540 -5.083 -0.757) 5.733 9.207 ( 5.086 -4.488 3.780) 7.765 9.435 ( 4.026 0.016 -2.569) 4.776 9.463 ( 2.699 -1.878 -2.613) 4.200 9.744 ( 2.289 2.228 3.128) 4.471 9.773 ( 2.819 -1.052 1.357) 3.300 10.004 ( 3.266 4.313 2.479) 5.951 10.052 ( 0.439 1.106 3.877) 4.056 10.083 ( -3.946 -1.587 0.822) 4.332 10.105 ( -4.828 -1.944 -2.077) 5.604 10.277 ( 1.579 6.754 3.139) 7.613 10.374 ( 0.592 -0.239 3.820) 3.873 10.447 ( -3.687 -0.004 -0.015) 3.687 10.496 ( -0.806 -0.780 -0.484) 1.222 10.590 ( -0.812 5.550 3.388) 6.553 10.720 ( 0.987 -6.338 3.240) 7.186 10.732 ( 9.510 5.862 -7.112) 13.243 10.829 ( 11.332 -3.901 -8.735) 14.831 11.028 ( -3.046 3.296 -1.788) 4.831 11.090 ( -6.349 -0.544 0.104) 6.373 11.215 ( 5.233 -0.616 1.186) 5.401 11.234 ( 5.874 -2.923 2.491) 7.018 11.490 ( 0.666 1.282 2.846) 3.192 11.505 ( 3.427 -2.496 -1.559) 4.518 11.647 ( 0.229 -0.547 -0.624) 0.860 11.705 ( -1.484 -4.984 1.854) 5.521 12.012 ( 3.010 2.345 1.266) 4.021 12.072 ( 2.171 -3.512 2.041) 4.606 12.449 ( 2.259 -1.153 -7.226) 7.658 12.454 ( 1.853 -1.468 -9.085) 9.388 12.634 ( 6.209 8.548 1.557) 10.679 12.733 ( -3.329 1.286 -1.496) 3.870 12.799 ( 12.557 -0.651 7.231) 14.505 12.854 ( 6.301 -4.529 -2.493) 8.151 13.284 ( -3.434 2.305 -2.169) 4.670 13.328 ( -0.368 -1.632 -0.496) 1.745 13.683 ( -9.146 0.894 3.511) 9.837 13.725 ( -6.896 -2.489 4.791) 8.758 14.014 ( -2.332 1.279 -0.822) 2.784 14.061 ( -2.755 -2.937 -2.739) 4.870 14.354 ( -10.684 0.847 -0.133) 10.719 14.404 ( -8.771 -3.959 0.325) 9.629 14.585 ( -8.502 6.855 -1.783) 11.066 14.698 ( -5.431 -2.993 -0.299) 6.208 14.710 ( -5.596 3.347 1.784) 6.760 14.798 ( -7.197 -3.640 1.362) 8.179 14.996 ( -3.939 3.584 -0.140) 5.327 15.054 ( -3.862 -2.806 1.421) 4.981 15.309 ( -4.927 1.945 4.065) 6.678 15.325 ( -11.091 2.433 5.363) 12.558 15.651 ( -3.471 3.035 0.240) 4.617 15.710 ( 0.715 2.327 -3.170) 3.997 15.887 ( -5.050 -4.966 -0.789) 7.127 15.948 ( 3.995 -6.145 -0.252) 7.334 16.291 ( 1.190 6.299 0.167) 6.413 16.372 ( 4.995 -2.910 -0.246) 5.786 16.610 ( -11.001 3.899 1.773) 11.806 16.723 ( -11.516 -5.986 0.894) 13.010 17.037 ( -2.407 4.228 -3.693) 6.108 17.088 ( -2.762 -0.662 -4.578) 5.387 18.196 ( 4.271 1.919 -0.091) 4.683 18.231 ( 2.730 -1.481 1.078) 3.287 18.350 ( 4.302 4.884 0.509) 6.528 18.471 ( 6.267 -7.163 0.152) 9.518 19.035 ( 10.555 1.794 0.069) 10.707 19.063 ( 10.526 -0.917 -1.726) 10.706 19.235 ( 3.830 -0.263 -0.924) 3.949 19.251 ( 5.097 -1.619 0.057) 5.348 25.057 ( -1.963 6.205 2.691) 7.043 25.139 ( -2.356 6.073 -3.134) 7.229 25.219 ( -5.072 -9.627 3.293) 11.369 25.311 ( -6.117 -10.741 -4.205) 13.057 26.830 ( -0.928 2.419 -0.372) 2.618 26.866 ( -1.378 -0.823 -0.798) 1.793 26.964 ( 1.016 2.873 -0.429) 3.077 27.013 ( 0.802 -1.726 0.746) 2.045 28.064 ( -1.972 6.591 0.077) 6.880 28.135 ( -2.156 -1.180 1.238) 2.752 28.154 ( -3.255 7.800 -1.849) 8.652 28.228 ( -2.241 0.210 0.459) 2.297 28.459 ( -1.514 3.346 7.868) 8.683 28.556 ( -0.221 -5.243 4.889) 7.172 28.756 ( -2.188 6.785 -2.561) 7.575 28.872 ( -5.482 -3.450 -0.231) 6.481 29.041 ( -10.366 0.594 -2.432) 10.664 29.066 ( -10.337 -1.159 -1.007) 10.451 29.533 ( 6.733 -1.303 -3.138) 7.542 29.535 ( 4.920 -1.459 -5.331) 7.400 29.644 ( 5.143 1.225 -2.675) 5.925 29.679 ( 6.854 -2.131 -2.577) 7.626 30.296 ( 8.187 2.361 2.048) 8.764 30.351 ( 8.191 -3.082 3.202) 9.318 30.736 ( -1.035 5.120 1.123) 5.343 30.783 ( -3.758 5.675 -1.175) 6.907 30.883 ( 7.014 -7.182 3.604) 10.666 30.939 ( 5.344 -7.527 1.344) 9.329 ======================= Grid point 90 (54/54) ======================= q-point: (-0.14 0.40 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 Number of triplets: 88 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.530 ( -11.594 6.266 17.121) 21.606 1.666 ( -5.201 -6.934 2.881) 9.134 2.009 ( -6.688 13.679 6.950) 16.738 2.258 ( 3.811 -11.055 1.092) 11.744 2.598 ( -10.545 6.758 -3.207) 12.929 2.709 ( -5.386 -2.138 -2.746) 6.413 2.781 ( -2.475 5.693 -0.114) 6.209 2.832 ( 2.167 3.303 0.092) 3.951 2.852 ( 1.427 10.542 -7.475) 13.001 2.897 ( -2.224 7.928 -5.441) 9.869 3.103 ( 5.843 -0.310 5.314) 7.904 3.239 ( 8.691 -0.580 5.681) 10.399 3.308 ( -0.494 10.865 3.835) 11.533 3.418 ( -6.290 -0.960 -4.641) 7.875 3.506 ( 2.227 10.989 0.406) 11.220 3.594 ( 2.354 4.522 4.989) 7.133 3.708 ( 2.278 -0.335 0.192) 2.311 3.772 ( 6.436 -4.526 -3.662) 8.678 3.855 ( -10.801 5.542 1.582) 12.242 3.915 ( -2.370 0.213 7.453) 7.823 3.988 ( -6.952 -1.078 1.032) 7.110 4.063 ( -0.971 -3.032 3.146) 4.476 4.121 ( -3.258 -2.337 -0.194) 4.014 4.188 ( -4.363 -5.748 -8.478) 11.133 4.302 ( -1.990 2.720 -1.871) 3.855 4.355 ( -11.438 0.538 3.242) 11.901 4.409 ( 3.652 3.357 -2.180) 5.418 4.500 ( -3.567 3.107 -1.498) 4.962 4.586 ( -7.577 -2.295 4.588) 9.150 4.624 ( -6.241 -4.788 -3.551) 8.630 4.714 ( -3.391 4.137 -2.832) 6.052 4.799 ( -6.572 2.439 -4.191) 8.167 4.881 ( 1.006 0.275 3.364) 3.522 4.962 ( -5.460 -4.108 7.195) 9.923 5.070 ( 8.752 2.336 1.097) 9.125 5.086 ( 11.019 -0.067 0.719) 11.043 5.173 ( -6.562 4.149 -0.560) 7.784 5.254 ( -7.793 -0.693 4.297) 8.926 5.281 ( -2.550 0.698 -1.399) 2.991 5.312 ( -8.161 -2.854 0.399) 8.655 5.422 ( -1.734 2.062 -4.437) 5.191 5.461 ( 3.054 -0.624 -4.768) 5.697 5.589 ( 2.706 3.516 0.377) 4.453 5.672 ( -0.834 -2.783 0.366) 2.928 5.748 ( -4.734 -0.233 2.349) 5.290 5.821 ( 1.003 -5.155 0.581) 5.283 5.917 ( 0.041 2.147 -4.567) 5.046 5.967 ( -6.612 0.492 -6.180) 9.064 6.087 ( 2.700 7.424 0.323) 7.906 6.134 ( -0.579 2.631 0.101) 2.696 6.323 ( 3.757 3.656 0.840) 5.309 6.368 ( 3.930 -6.982 -1.403) 8.134 6.450 ( 3.710 -8.494 -6.829) 11.513 6.518 ( 7.165 -5.942 -0.031) 9.309 6.591 ( 2.784 2.018 2.179) 4.071 6.628 ( 5.376 -0.128 1.741) 5.653 6.919 ( 0.580 1.161 -1.027) 1.655 6.968 ( 5.001 0.027 4.829) 6.952 6.990 ( -3.150 -5.930 -1.010) 6.790 7.054 ( 2.414 -6.047 1.799) 6.755 7.183 ( 3.957 1.525 4.563) 6.230 7.224 ( 4.530 -2.457 -0.384) 5.168 7.377 ( -4.547 3.429 -8.133) 9.928 7.394 ( -4.385 1.021 1.445) 4.729 7.453 ( -1.049 -1.147 -8.154) 8.301 7.479 ( -1.185 -6.718 5.241) 8.603 7.771 ( 2.756 1.595 -1.376) 3.469 7.778 ( 3.148 1.225 -3.472) 4.844 7.897 ( 1.042 2.236 -0.350) 2.492 7.939 ( -0.159 -2.747 1.502) 3.135 8.026 ( -1.349 0.991 -2.079) 2.669 8.096 ( -1.650 -2.662 -6.865) 7.545 8.209 ( 6.458 -0.517 0.538) 6.501 8.282 ( 0.315 -5.916 0.025) 5.925 8.379 ( -1.680 1.486 5.216) 5.678 8.408 ( -2.696 -1.490 6.758) 7.427 8.529 ( -3.151 1.280 -3.676) 5.008 8.568 ( 0.757 -1.659 -3.436) 3.890 8.680 ( 4.268 2.599 -0.455) 5.017 8.737 ( 6.763 -2.158 -0.289) 7.105 8.819 ( -1.452 6.116 0.852) 6.344 8.909 ( -2.017 -2.650 -0.012) 3.331 9.114 ( 3.357 0.156 2.365) 4.109 9.134 ( 3.860 1.884 4.924) 6.534 9.236 ( 2.902 -1.531 -0.251) 3.291 9.323 ( 5.828 -5.940 5.808) 10.148 9.473 ( -1.637 1.261 -2.373) 3.146 9.506 ( 1.166 0.227 -3.460) 3.658 9.725 ( -2.391 3.093 -2.202) 4.487 9.765 ( -4.220 -1.676 0.332) 4.553 10.013 ( -0.091 2.977 1.254) 3.231 10.085 ( 4.897 -2.360 1.103) 5.546 10.142 ( 7.173 3.010 3.227) 8.422 10.163 ( 6.380 1.678 0.771) 6.642 10.240 ( -2.284 4.042 -1.941) 5.032 10.330 ( -4.018 -5.442 2.932) 7.372 10.452 ( 3.481 3.100 2.685) 5.379 10.509 ( -0.149 -2.761 2.488) 3.720 10.573 ( -0.893 6.251 1.855) 6.582 10.675 ( -5.211 -3.428 2.794) 6.835 10.846 ( 2.023 6.710 -0.993) 7.078 10.957 ( -4.856 -2.254 1.596) 5.586 11.059 ( 9.219 0.735 -4.733) 10.389 11.095 ( 7.927 -1.495 -7.364) 10.922 11.356 ( 8.218 2.689 0.756) 8.679 11.387 ( 8.889 -1.520 2.093) 9.258 11.515 ( 3.441 -0.574 4.731) 5.878 11.568 ( 2.589 -5.646 0.065) 6.212 11.667 ( 0.512 -1.774 1.437) 2.340 11.710 ( 1.647 -6.774 -3.151) 7.650 12.074 ( 3.535 1.506 2.631) 4.657 12.130 ( 3.749 -4.183 0.962) 5.699 12.472 ( 0.743 -0.672 -8.555) 8.613 12.478 ( 1.170 -0.908 -6.229) 6.402 12.623 ( -3.957 2.549 -4.699) 6.651 12.657 ( -4.791 -0.766 -5.696) 7.482 13.001 ( 3.253 2.858 3.423) 5.520 13.047 ( 3.796 -2.195 4.337) 6.168 13.164 ( -4.948 4.732 -1.462) 7.000 13.267 ( -2.879 -4.983 -0.007) 5.755 13.534 ( -4.356 4.464 6.070) 8.704 13.599 ( -2.969 -0.995 4.085) 5.147 13.915 ( -7.707 -2.402 -0.046) 8.073 13.935 ( -6.347 -3.375 -1.859) 7.425 14.196 ( -5.292 4.204 1.244) 6.872 14.283 ( -4.505 -4.113 1.340) 6.246 14.422 ( -7.618 9.841 -0.589) 12.459 14.582 ( -4.023 -2.589 0.639) 4.827 14.697 ( 1.879 -0.447 -0.996) 2.173 14.749 ( 4.047 -2.638 -0.529) 4.860 14.887 ( -7.053 4.518 0.549) 8.394 14.959 ( -5.738 -3.352 0.387) 6.656 15.079 ( -11.209 7.256 0.185) 13.354 15.178 ( -8.418 -2.549 3.199) 9.359 15.604 ( -0.794 3.300 2.093) 3.988 15.697 ( -2.005 -1.261 -2.412) 3.380 15.843 ( 0.953 2.287 -0.130) 2.481 16.024 ( 2.194 -9.376 1.008) 9.682 16.215 ( -7.476 9.905 -0.461) 12.418 16.410 ( -5.027 -8.347 0.369) 9.750 16.498 ( 0.527 1.970 1.339) 2.440 16.535 ( -4.118 -1.339 -1.876) 4.719 16.966 ( -4.015 2.644 -1.290) 4.977 17.002 ( -5.298 -0.595 -2.280) 5.799 18.276 ( 2.968 0.561 0.214) 3.029 18.286 ( 2.312 -0.297 1.084) 2.570 18.435 ( 4.659 3.732 0.412) 5.984 18.550 ( 1.354 -8.062 -0.123) 8.176 19.235 ( 8.368 1.809 2.255) 8.853 19.264 ( 8.942 -0.903 0.801) 9.023 19.330 ( 5.234 0.990 -1.649) 5.576 19.361 ( 5.532 -1.866 -1.790) 6.106 25.030 ( -0.597 3.908 1.755) 4.325 25.093 ( -1.821 3.598 -2.024) 4.512 25.122 ( -4.505 -5.247 2.169) 7.248 25.179 ( -6.587 -4.964 -2.442) 8.602 26.817 ( -0.287 1.062 -0.372) 1.161 26.838 ( -1.257 -0.819 -0.276) 1.526 26.991 ( 1.667 1.131 -1.174) 2.332 27.019 ( -0.294 -1.468 0.778) 1.687 28.039 ( -0.597 5.309 0.458) 5.362 28.087 ( -2.966 5.115 -0.400) 5.926 28.095 ( -1.675 -0.256 0.151) 1.701 28.153 ( -4.283 -0.994 -1.164) 4.548 28.469 ( 1.549 4.623 9.821) 10.964 28.564 ( 0.608 -4.420 6.794) 8.128 28.715 ( -1.868 5.047 -3.937) 6.668 28.786 ( -2.669 -0.211 -0.404) 2.708 28.831 ( -9.490 1.020 -2.995) 10.003 28.870 ( -8.286 -1.308 -1.350) 8.496 29.579 ( 1.846 1.522 -4.263) 4.889 29.625 ( 3.242 -2.932 -10.308) 11.197 29.858 ( 12.771 1.013 1.641) 12.916 29.897 ( 12.309 -2.639 -3.161) 12.979 30.382 ( 2.078 1.886 1.217) 3.059 30.418 ( 0.562 -1.764 0.796) 2.015 30.603 ( -9.787 1.715 -1.723) 10.084 30.622 ( -10.337 0.430 -0.574) 10.362 31.117 ( 10.938 -2.717 8.362) 14.034 31.152 ( 12.636 -6.105 2.473) 14.250 =================== 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 3/31500 10.0 587.796 538.363 410.033 0.000 21.740 0.000 3/31500 20.0 66.732 57.469 47.491 0.000 3.295 0.000 3/31500 30.0 23.640 19.095 15.673 0.000 1.308 0.000 3/31500 40.0 12.536 9.945 8.179 0.000 0.701 0.000 3/31500 50.0 8.156 6.404 5.331 0.000 0.445 0.000 3/31500 60.0 5.965 4.641 3.923 0.000 0.315 0.000 3/31500 70.0 4.692 3.619 3.105 0.000 0.241 0.000 3/31500 80.0 3.872 2.963 2.576 0.000 0.194 0.000 3/31500 90.0 3.304 2.511 2.207 0.000 0.163 0.000 3/31500 100.0 2.890 2.182 1.936 0.000 0.141 0.000 3/31500 110.0 2.575 1.932 1.728 0.000 0.124 0.000 3/31500 120.0 2.327 1.736 1.563 0.000 0.111 0.000 3/31500 130.0 2.128 1.579 1.429 0.000 0.101 0.000 3/31500 140.0 1.964 1.450 1.318 0.000 0.092 0.000 3/31500 150.0 1.826 1.341 1.224 0.000 0.085 0.000 3/31500 160.0 1.709 1.250 1.144 0.000 0.079 0.000 3/31500 170.0 1.608 1.171 1.074 0.000 0.074 0.000 3/31500 180.0 1.520 1.102 1.014 0.000 0.070 0.000 3/31500 190.0 1.443 1.042 0.960 0.000 0.066 0.000 3/31500 200.0 1.374 0.988 0.913 0.000 0.062 0.000 3/31500 210.0 1.313 0.941 0.870 0.000 0.059 0.000 3/31500 220.0 1.258 0.898 0.832 0.000 0.056 0.000 3/31500 230.0 1.208 0.860 0.798 0.000 0.054 0.000 3/31500 240.0 1.163 0.825 0.766 0.000 0.051 0.000 3/31500 250.0 1.121 0.793 0.737 0.000 0.049 0.000 3/31500 260.0 1.083 0.764 0.711 0.000 0.047 0.000 3/31500 270.0 1.048 0.737 0.687 0.000 0.046 0.000 3/31500 280.0 1.015 0.712 0.664 0.000 0.044 0.000 3/31500 290.0 0.985 0.689 0.644 0.000 0.042 0.000 3/31500 300.0 0.956 0.668 0.624 0.000 0.041 0.000 3/31500 310.0 0.930 0.648 0.606 0.000 0.040 0.000 3/31500 320.0 0.905 0.629 0.589 0.000 0.038 0.000 3/31500 330.0 0.881 0.612 0.573 0.000 0.037 0.000 3/31500 340.0 0.859 0.595 0.558 0.000 0.036 0.000 3/31500 350.0 0.839 0.580 0.544 0.000 0.035 0.000 3/31500 360.0 0.819 0.565 0.531 0.000 0.034 0.000 3/31500 370.0 0.800 0.551 0.518 0.000 0.033 0.000 3/31500 380.0 0.782 0.538 0.506 0.000 0.033 0.000 3/31500 390.0 0.765 0.525 0.495 0.000 0.032 0.000 3/31500 400.0 0.749 0.513 0.484 0.000 0.031 0.000 3/31500 410.0 0.733 0.502 0.473 0.000 0.030 0.000 3/31500 420.0 0.719 0.491 0.464 0.000 0.030 0.000 3/31500 430.0 0.704 0.481 0.454 0.000 0.029 0.000 3/31500 440.0 0.691 0.471 0.445 0.000 0.028 0.000 3/31500 450.0 0.678 0.461 0.436 0.000 0.028 0.000 3/31500 460.0 0.665 0.452 0.428 0.000 0.027 0.000 3/31500 470.0 0.653 0.444 0.420 0.000 0.027 0.000 3/31500 480.0 0.641 0.435 0.412 0.000 0.026 0.000 3/31500 490.0 0.630 0.427 0.405 0.000 0.026 0.000 3/31500 500.0 0.619 0.419 0.398 0.000 0.025 0.000 3/31500 510.0 0.609 0.412 0.391 0.000 0.025 0.000 3/31500 520.0 0.599 0.405 0.384 0.000 0.024 0.000 3/31500 530.0 0.589 0.398 0.378 0.000 0.024 0.000 3/31500 540.0 0.579 0.391 0.372 0.000 0.023 0.000 3/31500 550.0 0.570 0.384 0.366 0.000 0.023 0.000 3/31500 560.0 0.561 0.378 0.360 0.000 0.023 0.000 3/31500 570.0 0.553 0.372 0.354 0.000 0.022 0.000 3/31500 580.0 0.544 0.366 0.349 0.000 0.022 0.000 3/31500 590.0 0.536 0.360 0.343 0.000 0.021 0.000 3/31500 600.0 0.528 0.355 0.338 0.000 0.021 0.000 3/31500 610.0 0.521 0.349 0.333 0.000 0.021 0.000 3/31500 620.0 0.513 0.344 0.328 0.000 0.020 0.000 3/31500 630.0 0.506 0.339 0.324 0.000 0.020 0.000 3/31500 640.0 0.499 0.334 0.319 0.000 0.020 0.000 3/31500 650.0 0.492 0.329 0.315 0.000 0.020 0.000 3/31500 660.0 0.485 0.325 0.310 0.000 0.019 0.000 3/31500 670.0 0.479 0.320 0.306 0.000 0.019 0.000 3/31500 680.0 0.473 0.316 0.302 0.000 0.019 0.000 3/31500 690.0 0.466 0.312 0.298 0.000 0.019 0.000 3/31500 700.0 0.460 0.307 0.294 0.000 0.018 0.000 3/31500 710.0 0.455 0.303 0.290 0.000 0.018 0.000 3/31500 720.0 0.449 0.299 0.287 0.000 0.018 0.000 3/31500 730.0 0.443 0.296 0.283 0.000 0.018 0.000 3/31500 740.0 0.438 0.292 0.280 0.000 0.017 0.000 3/31500 750.0 0.433 0.288 0.276 0.000 0.017 0.000 3/31500 760.0 0.427 0.285 0.273 0.000 0.017 0.000 3/31500 770.0 0.422 0.281 0.270 0.000 0.017 0.000 3/31500 780.0 0.417 0.278 0.266 0.000 0.016 0.000 3/31500 790.0 0.413 0.274 0.263 0.000 0.016 0.000 3/31500 800.0 0.408 0.271 0.260 0.000 0.016 0.000 3/31500 810.0 0.403 0.268 0.257 0.000 0.016 0.000 3/31500 820.0 0.399 0.265 0.254 0.000 0.016 0.000 3/31500 830.0 0.394 0.262 0.251 0.000 0.016 0.000 3/31500 840.0 0.390 0.259 0.249 0.000 0.015 0.000 3/31500 850.0 0.386 0.256 0.246 0.000 0.015 0.000 3/31500 860.0 0.382 0.253 0.243 0.000 0.015 0.000 3/31500 870.0 0.377 0.250 0.241 0.000 0.015 0.000 3/31500 880.0 0.373 0.248 0.238 0.000 0.015 0.000 3/31500 890.0 0.370 0.245 0.236 0.000 0.015 0.000 3/31500 900.0 0.366 0.242 0.233 0.000 0.014 0.000 3/31500 910.0 0.362 0.240 0.231 0.000 0.014 0.000 3/31500 920.0 0.358 0.237 0.228 0.000 0.014 0.000 3/31500 930.0 0.355 0.235 0.226 0.000 0.014 0.000 3/31500 940.0 0.351 0.233 0.224 0.000 0.014 0.000 3/31500 950.0 0.348 0.230 0.222 0.000 0.014 0.000 3/31500 960.0 0.344 0.228 0.219 0.000 0.013 0.000 3/31500 970.0 0.341 0.226 0.217 0.000 0.013 0.000 3/31500 980.0 0.338 0.223 0.215 0.000 0.013 0.000 3/31500 990.0 0.335 0.221 0.213 0.000 0.013 0.000 3/31500 1000.0 0.331 0.219 0.211 0.000 0.013 0.000 3/31500 Thermal conductivity related properties were written into "kappa-m755.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 01:41:46]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|