----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-08 06:45:48]------------------------- Compiled with OpenMP support (max 128 threads). Running in phonopy.load mode. Python version 3.14.2 Spglib version 2.6.1 Crystal structure was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". Unit of length: angstrom Settings: Supercell: [1 1 2] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: Pnma (62) Number of symmetry operations in supercell: 16 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 8.037266600000001 0.000000000000000 0.000000000000000 b 0.000000000000000 18.288343810000001 0.000000000000000 c 0.000000000000000 0.000000000000000 5.457652940000000 Atomic positions (fractional): *1 In 0.68740430025966 0.56287066906473 0.70860967299458 114.818 2 In 0.18740430025966 0.93712933093527 0.79139032700542 114.818 3 In 0.81259569974034 0.43712933093527 0.20860967299458 114.818 4 In 0.31259569974034 0.43712933093527 0.29139032700542 114.818 5 In 0.68740430025966 0.93712933093527 0.70860967299458 114.818 6 In 0.31259569974034 0.06287066906473 0.29139032700542 114.818 7 In 0.81259569974034 0.06287066906473 0.20860967299458 114.818 8 In 0.18740430025966 0.56287066906473 0.79139032700542 114.818 *9 Te 0.15393689633592 0.75000000000000 0.72785762813445 127.600 *10 Te 0.13299721467343 0.36705637298934 0.81056055175891 127.600 11 Te 0.86700278532657 0.63294362701066 0.18943944824109 127.600 12 Te 0.34606310366408 0.25000000000000 0.22785762813445 127.600 13 Te 0.63299721467343 0.36705637298934 0.68943944824109 127.600 14 Te 0.63299721467343 0.13294362701066 0.68943944824109 127.600 15 Te 0.36700278532657 0.86705637298934 0.31056055175891 127.600 16 Te 0.86700278532657 0.86705637298934 0.18943944824109 127.600 17 Te 0.36700278532657 0.63294362701066 0.31056055175891 127.600 18 Te 0.13299721467343 0.13294362701066 0.81056055175891 127.600 19 Te 0.84606310366408 0.25000000000000 0.27214237186555 127.600 20 Te 0.65393689633592 0.75000000000000 0.77214237186555 127.600 *21 O 0.14978810167438 0.62839662012878 0.46085010011185 15.999 *22 O 0.82296668933923 0.54212031116208 0.37564348121843 15.999 23 O 0.64978810167439 0.87160337987122 0.03914989988815 15.999 24 O 0.64978810167439 0.62839662012878 0.03914989988815 15.999 25 O 0.82296668933923 0.95787968883792 0.37564348121843 15.999 *26 O 0.78754863109071 0.17340030068502 0.04425973583795 15.999 *27 O 0.86438525331689 0.75000000000000 0.94559934663838 15.999 28 O 0.14978810167438 0.87160337987122 0.46085010011185 15.999 29 O 0.85021189832561 0.12839662012878 0.53914989988815 15.999 30 O 0.35021189832562 0.12839662012878 0.96085010011185 15.999 *31 O 0.43355064204367 0.92764070920166 0.59141621974356 15.999 32 O 0.56644935795633 0.07235929079834 0.40858378025644 15.999 33 O 0.28754863109071 0.17340030068502 0.45574026416205 15.999 34 O 0.43355064204367 0.57235929079834 0.59141621974356 15.999 35 O 0.13561474668311 0.25000000000000 0.05440065336162 15.999 36 O 0.85021189832561 0.37160337987122 0.53914989988815 15.999 37 O 0.06644935795633 0.07235929079834 0.09141621974356 15.999 38 O 0.17703331066077 0.45787968883792 0.62435651878157 15.999 39 O 0.63561474668311 0.25000000000000 0.44559934663838 15.999 40 O 0.17703331066077 0.04212031116208 0.62435651878157 15.999 41 O 0.32296668933923 0.54212031116208 0.12435651878157 15.999 42 O 0.06644935795633 0.42764070920166 0.09141621974356 15.999 43 O 0.67703331066077 0.45787968883792 0.87564348121843 15.999 44 O 0.28754863109071 0.32659969931498 0.45574026416205 15.999 45 O 0.56644935795633 0.42764070920166 0.40858378025644 15.999 46 O 0.71245136890929 0.82659969931498 0.54425973583795 15.999 47 O 0.35021189832562 0.37160337987122 0.96085010011185 15.999 48 O 0.78754863109071 0.32659969931498 0.04425973583795 15.999 49 O 0.21245136890929 0.82659969931498 0.95574026416205 15.999 50 O 0.36438525331689 0.75000000000000 0.55440065336162 15.999 51 O 0.32296668933923 0.95787968883792 0.12435651878157 15.999 52 O 0.21245136890929 0.67340030068502 0.95574026416205 15.999 53 O 0.93355064204367 0.57235929079834 0.90858378025644 15.999 54 O 0.67703331066077 0.04212031116208 0.87564348121843 15.999 55 O 0.93355064204367 0.92764070920166 0.90858378025644 15.999 56 O 0.71245136890929 0.67340030068502 0.54425973583795 15.999 -------------------------------- unit cell --------------------------------- Lattice vectors: a 8.037266600000001 0.000000000000000 0.000000000000000 b 0.000000000000000 18.288343810000001 0.000000000000000 c 0.000000000000000 0.000000000000000 5.457652940000000 Atomic positions (fractional): *1 In 0.68740430025966 0.56287066906473 0.70860967299458 114.818 > 1 2 In 0.18740430025966 0.93712933093527 0.79139032700542 114.818 > 2 3 In 0.81259569974034 0.43712933093527 0.20860967299458 114.818 > 3 4 In 0.31259569974034 0.43712933093527 0.29139032700542 114.818 > 4 5 In 0.68740430025966 0.93712933093527 0.70860967299458 114.818 > 5 6 In 0.31259569974034 0.06287066906473 0.29139032700542 114.818 > 6 7 In 0.81259569974034 0.06287066906473 0.20860967299458 114.818 > 7 8 In 0.18740430025966 0.56287066906473 0.79139032700542 114.818 > 8 *9 Te 0.15393689633592 0.75000000000000 0.72785762813445 127.600 > 9 *10 Te 0.13299721467343 0.36705637298934 0.81056055175891 127.600 > 10 11 Te 0.86700278532657 0.63294362701066 0.18943944824109 127.600 > 11 12 Te 0.34606310366408 0.25000000000000 0.22785762813445 127.600 > 12 13 Te 0.63299721467343 0.36705637298934 0.68943944824109 127.600 > 13 14 Te 0.63299721467343 0.13294362701066 0.68943944824109 127.600 > 14 15 Te 0.36700278532657 0.86705637298934 0.31056055175891 127.600 > 15 16 Te 0.86700278532657 0.86705637298934 0.18943944824109 127.600 > 16 17 Te 0.36700278532657 0.63294362701066 0.31056055175891 127.600 > 17 18 Te 0.13299721467343 0.13294362701066 0.81056055175891 127.600 > 18 19 Te 0.84606310366408 0.25000000000000 0.27214237186555 127.600 > 19 20 Te 0.65393689633592 0.75000000000000 0.77214237186555 127.600 > 20 *21 O 0.14978810167438 0.62839662012878 0.46085010011185 15.999 > 21 *22 O 0.82296668933923 0.54212031116208 0.37564348121843 15.999 > 22 23 O 0.64978810167439 0.87160337987122 0.03914989988815 15.999 > 23 24 O 0.64978810167439 0.62839662012878 0.03914989988815 15.999 > 24 25 O 0.82296668933923 0.95787968883792 0.37564348121843 15.999 > 25 *26 O 0.78754863109071 0.17340030068502 0.04425973583795 15.999 > 26 *27 O 0.86438525331689 0.75000000000000 0.94559934663838 15.999 > 27 28 O 0.14978810167438 0.87160337987122 0.46085010011185 15.999 > 28 29 O 0.85021189832561 0.12839662012878 0.53914989988815 15.999 > 29 30 O 0.35021189832562 0.12839662012878 0.96085010011185 15.999 > 30 *31 O 0.43355064204367 0.92764070920166 0.59141621974356 15.999 > 31 32 O 0.56644935795633 0.07235929079834 0.40858378025644 15.999 > 32 33 O 0.28754863109071 0.17340030068502 0.45574026416205 15.999 > 33 34 O 0.43355064204367 0.57235929079834 0.59141621974356 15.999 > 34 35 O 0.13561474668311 0.25000000000000 0.05440065336162 15.999 > 35 36 O 0.85021189832561 0.37160337987122 0.53914989988815 15.999 > 36 37 O 0.06644935795633 0.07235929079834 0.09141621974356 15.999 > 37 38 O 0.17703331066077 0.45787968883792 0.62435651878157 15.999 > 38 39 O 0.63561474668311 0.25000000000000 0.44559934663838 15.999 > 39 40 O 0.17703331066077 0.04212031116208 0.62435651878157 15.999 > 40 41 O 0.32296668933923 0.54212031116208 0.12435651878157 15.999 > 41 42 O 0.06644935795633 0.42764070920166 0.09141621974356 15.999 > 42 43 O 0.67703331066077 0.45787968883792 0.87564348121843 15.999 > 43 44 O 0.28754863109071 0.32659969931498 0.45574026416205 15.999 > 44 45 O 0.56644935795633 0.42764070920166 0.40858378025644 15.999 > 45 46 O 0.71245136890929 0.82659969931498 0.54425973583795 15.999 > 46 47 O 0.35021189832562 0.37160337987122 0.96085010011185 15.999 > 47 48 O 0.78754863109071 0.32659969931498 0.04425973583795 15.999 > 48 49 O 0.21245136890929 0.82659969931498 0.95574026416205 15.999 > 49 50 O 0.36438525331689 0.75000000000000 0.55440065336162 15.999 > 50 51 O 0.32296668933923 0.95787968883792 0.12435651878157 15.999 > 51 52 O 0.21245136890929 0.67340030068502 0.95574026416205 15.999 > 52 53 O 0.93355064204367 0.57235929079834 0.90858378025644 15.999 > 53 54 O 0.67703331066077 0.04212031116208 0.87564348121843 15.999 > 54 55 O 0.93355064204367 0.92764070920166 0.90858378025644 15.999 > 55 56 O 0.71245136890929 0.67340030068502 0.54425973583795 15.999 > 56 -------------------------------- super cell -------------------------------- Lattice vectors: a 8.037266600000001 0.000000000000000 0.000000000000000 b 0.000000000000000 18.288343810000001 0.000000000000000 c 0.000000000000000 0.000000000000000 10.915305880000000 Atomic positions (fractional): *1 In 0.68740430025966 0.56287066906473 0.35430483649729 114.818 > 1 2 In 0.68740430025966 0.56287066906473 0.85430483649729 114.818 > 1 3 In 0.18740430025966 0.93712933093527 0.39569516350271 114.818 > 2 4 In 0.18740430025966 0.93712933093527 0.89569516350271 114.818 > 2 5 In 0.81259569974034 0.43712933093527 0.10430483649729 114.818 > 3 6 In 0.81259569974034 0.43712933093527 0.60430483649729 114.818 > 3 7 In 0.31259569974034 0.43712933093527 0.14569516350271 114.818 > 4 8 In 0.31259569974034 0.43712933093527 0.64569516350271 114.818 > 4 9 In 0.68740430025966 0.93712933093527 0.35430483649729 114.818 > 5 10 In 0.68740430025966 0.93712933093527 0.85430483649729 114.818 > 5 11 In 0.31259569974034 0.06287066906473 0.14569516350271 114.818 > 6 12 In 0.31259569974034 0.06287066906473 0.64569516350271 114.818 > 6 13 In 0.81259569974034 0.06287066906473 0.10430483649729 114.818 > 7 14 In 0.81259569974034 0.06287066906473 0.60430483649729 114.818 > 7 15 In 0.18740430025966 0.56287066906473 0.39569516350271 114.818 > 8 16 In 0.18740430025966 0.56287066906473 0.89569516350271 114.818 > 8 *17 Te 0.15393689633592 0.75000000000000 0.36392881406723 127.600 > 9 18 Te 0.15393689633592 0.75000000000000 0.86392881406723 127.600 > 9 *19 Te 0.13299721467343 0.36705637298934 0.40528027587945 127.600 > 10 20 Te 0.13299721467343 0.36705637298934 0.90528027587945 127.600 > 10 21 Te 0.86700278532657 0.63294362701066 0.09471972412055 127.600 > 11 22 Te 0.86700278532657 0.63294362701066 0.59471972412055 127.600 > 11 23 Te 0.34606310366408 0.25000000000000 0.11392881406723 127.600 > 12 24 Te 0.34606310366408 0.25000000000000 0.61392881406723 127.600 > 12 25 Te 0.63299721467343 0.36705637298934 0.34471972412055 127.600 > 13 26 Te 0.63299721467343 0.36705637298934 0.84471972412055 127.600 > 13 27 Te 0.63299721467343 0.13294362701066 0.34471972412055 127.600 > 14 28 Te 0.63299721467343 0.13294362701066 0.84471972412055 127.600 > 14 29 Te 0.36700278532657 0.86705637298934 0.15528027587945 127.600 > 15 30 Te 0.36700278532657 0.86705637298934 0.65528027587945 127.600 > 15 31 Te 0.86700278532657 0.86705637298934 0.09471972412055 127.600 > 16 32 Te 0.86700278532657 0.86705637298934 0.59471972412055 127.600 > 16 33 Te 0.36700278532657 0.63294362701066 0.15528027587945 127.600 > 17 34 Te 0.36700278532657 0.63294362701066 0.65528027587945 127.600 > 17 35 Te 0.13299721467343 0.13294362701066 0.40528027587945 127.600 > 18 36 Te 0.13299721467343 0.13294362701066 0.90528027587945 127.600 > 18 37 Te 0.84606310366408 0.25000000000000 0.13607118593277 127.600 > 19 38 Te 0.84606310366408 0.25000000000000 0.63607118593277 127.600 > 19 39 Te 0.65393689633592 0.75000000000000 0.38607118593277 127.600 > 20 40 Te 0.65393689633592 0.75000000000000 0.88607118593277 127.600 > 20 *41 O 0.14978810167438 0.62839662012878 0.23042505005593 15.999 > 21 42 O 0.14978810167438 0.62839662012878 0.73042505005593 15.999 > 21 *43 O 0.82296668933923 0.54212031116208 0.18782174060921 15.999 > 22 44 O 0.82296668933923 0.54212031116208 0.68782174060921 15.999 > 22 45 O 0.64978810167439 0.87160337987122 0.01957494994407 15.999 > 23 46 O 0.64978810167439 0.87160337987122 0.51957494994407 15.999 > 23 47 O 0.64978810167439 0.62839662012878 0.01957494994407 15.999 > 24 48 O 0.64978810167439 0.62839662012878 0.51957494994407 15.999 > 24 49 O 0.82296668933923 0.95787968883792 0.18782174060921 15.999 > 25 50 O 0.82296668933923 0.95787968883792 0.68782174060921 15.999 > 25 *51 O 0.78754863109071 0.17340030068502 0.02212986791897 15.999 > 26 52 O 0.78754863109071 0.17340030068502 0.52212986791897 15.999 > 26 *53 O 0.86438525331689 0.75000000000000 0.47279967331919 15.999 > 27 54 O 0.86438525331689 0.75000000000000 0.97279967331919 15.999 > 27 55 O 0.14978810167438 0.87160337987122 0.23042505005593 15.999 > 28 56 O 0.14978810167438 0.87160337987122 0.73042505005593 15.999 > 28 57 O 0.85021189832561 0.12839662012878 0.26957494994407 15.999 > 29 58 O 0.85021189832561 0.12839662012878 0.76957494994407 15.999 > 29 59 O 0.35021189832562 0.12839662012878 0.48042505005593 15.999 > 30 60 O 0.35021189832562 0.12839662012878 0.98042505005593 15.999 > 30 *61 O 0.43355064204367 0.92764070920166 0.29570810987178 15.999 > 31 62 O 0.43355064204367 0.92764070920166 0.79570810987178 15.999 > 31 63 O 0.56644935795633 0.07235929079834 0.20429189012822 15.999 > 32 64 O 0.56644935795633 0.07235929079834 0.70429189012822 15.999 > 32 65 O 0.28754863109071 0.17340030068502 0.22787013208103 15.999 > 33 66 O 0.28754863109071 0.17340030068502 0.72787013208103 15.999 > 33 67 O 0.43355064204367 0.57235929079834 0.29570810987178 15.999 > 34 68 O 0.43355064204367 0.57235929079834 0.79570810987178 15.999 > 34 69 O 0.13561474668311 0.25000000000000 0.02720032668081 15.999 > 35 70 O 0.13561474668311 0.25000000000000 0.52720032668081 15.999 > 35 71 O 0.85021189832561 0.37160337987122 0.26957494994407 15.999 > 36 72 O 0.85021189832561 0.37160337987122 0.76957494994407 15.999 > 36 73 O 0.06644935795633 0.07235929079834 0.04570810987178 15.999 > 37 74 O 0.06644935795633 0.07235929079834 0.54570810987178 15.999 > 37 75 O 0.17703331066077 0.45787968883792 0.31217825939079 15.999 > 38 76 O 0.17703331066077 0.45787968883792 0.81217825939079 15.999 > 38 77 O 0.63561474668311 0.25000000000000 0.22279967331919 15.999 > 39 78 O 0.63561474668311 0.25000000000000 0.72279967331919 15.999 > 39 79 O 0.17703331066077 0.04212031116208 0.31217825939079 15.999 > 40 80 O 0.17703331066077 0.04212031116208 0.81217825939079 15.999 > 40 81 O 0.32296668933923 0.54212031116208 0.06217825939079 15.999 > 41 82 O 0.32296668933923 0.54212031116208 0.56217825939079 15.999 > 41 83 O 0.06644935795633 0.42764070920166 0.04570810987178 15.999 > 42 84 O 0.06644935795633 0.42764070920166 0.54570810987178 15.999 > 42 85 O 0.67703331066077 0.45787968883792 0.43782174060921 15.999 > 43 86 O 0.67703331066077 0.45787968883792 0.93782174060921 15.999 > 43 87 O 0.28754863109071 0.32659969931498 0.22787013208103 15.999 > 44 88 O 0.28754863109071 0.32659969931498 0.72787013208103 15.999 > 44 89 O 0.56644935795633 0.42764070920166 0.20429189012822 15.999 > 45 90 O 0.56644935795633 0.42764070920166 0.70429189012822 15.999 > 45 91 O 0.71245136890929 0.82659969931498 0.27212986791897 15.999 > 46 92 O 0.71245136890929 0.82659969931498 0.77212986791897 15.999 > 46 93 O 0.35021189832562 0.37160337987122 0.48042505005593 15.999 > 47 94 O 0.35021189832562 0.37160337987122 0.98042505005593 15.999 > 47 95 O 0.78754863109071 0.32659969931498 0.02212986791897 15.999 > 48 96 O 0.78754863109071 0.32659969931498 0.52212986791897 15.999 > 48 97 O 0.21245136890929 0.82659969931498 0.47787013208103 15.999 > 49 98 O 0.21245136890929 0.82659969931498 0.97787013208103 15.999 > 49 99 O 0.36438525331689 0.75000000000000 0.27720032668081 15.999 > 50 100 O 0.36438525331689 0.75000000000000 0.77720032668081 15.999 > 50 101 O 0.32296668933923 0.95787968883792 0.06217825939079 15.999 > 51 102 O 0.32296668933923 0.95787968883792 0.56217825939079 15.999 > 51 103 O 0.21245136890929 0.67340030068502 0.47787013208103 15.999 > 52 104 O 0.21245136890929 0.67340030068502 0.97787013208103 15.999 > 52 105 O 0.93355064204367 0.57235929079834 0.45429189012822 15.999 > 53 106 O 0.93355064204367 0.57235929079834 0.95429189012822 15.999 > 53 107 O 0.67703331066077 0.04212031116208 0.43782174060921 15.999 > 54 108 O 0.67703331066077 0.04212031116208 0.93782174060921 15.999 > 54 109 O 0.93355064204367 0.92764070920166 0.45429189012822 15.999 > 55 110 O 0.93355064204367 0.92764070920166 0.95429189012822 15.999 > 55 111 O 0.71245136890929 0.67340030068502 0.27212986791897 15.999 > 56 112 O 0.71245136890929 0.67340030068502 0.77212986791897 15.999 > 56 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 4.7704154 0.0000000 0.0000000 0.0000000 5.1763892 0.0000000 0.0000000 0.0000000 5.3506411 -------------------------- Born effective charges -------------------------- 1 In 3.1736724 0.1755139 0.3930721 0.0875050 3.9737937 -0.2832709 0.4329011 0.2336143 3.4878730 2 In 3.1736724 -0.1755139 -0.3930721 -0.0875050 3.9737937 -0.2832709 -0.4329011 0.2336143 3.4878730 3 In 3.1736724 0.1755139 -0.3930721 0.0875050 3.9737937 0.2832709 -0.4329011 -0.2336143 3.4878730 4 In 3.1736724 0.1755139 0.3930721 0.0875050 3.9737937 -0.2832709 0.4329011 0.2336143 3.4878730 5 In 3.1736724 -0.1755139 0.3930721 -0.0875050 3.9737937 0.2832709 0.4329011 -0.2336143 3.4878730 6 In 3.1736724 -0.1755139 0.3930721 -0.0875050 3.9737937 0.2832709 0.4329011 -0.2336143 3.4878730 7 In 3.1736724 -0.1755139 -0.3930721 -0.0875050 3.9737937 -0.2832709 -0.4329011 0.2336143 3.4878730 8 In 3.1736724 0.1755139 -0.3930721 0.0875050 3.9737937 0.2832709 -0.4329011 -0.2336143 3.4878730 9 Te 3.7346219 0.0000000 -1.5208775 -0.0000000 4.7399454 -0.0000000 -1.5702515 -0.0000000 4.1986379 10 Te 4.1488145 -0.2486007 -0.2091021 -0.4806896 4.4595254 -0.3888057 0.1019825 -0.3230491 5.3328814 11 Te 4.1488145 -0.2486007 -0.2091021 -0.4806896 4.4595254 -0.3888057 0.1019825 -0.3230491 5.3328814 12 Te 3.7346219 0.0000000 1.5208775 -0.0000000 4.7399454 -0.0000000 1.5702515 -0.0000000 4.1986379 13 Te 4.1488145 -0.2486007 0.2091021 -0.4806896 4.4595254 0.3888057 -0.1019825 0.3230491 5.3328814 14 Te 4.1488145 0.2486007 0.2091021 0.4806896 4.4595254 -0.3888057 -0.1019825 -0.3230491 5.3328814 15 Te 4.1488145 0.2486007 0.2091021 0.4806896 4.4595254 -0.3888057 -0.1019825 -0.3230491 5.3328814 16 Te 4.1488145 0.2486007 -0.2091021 0.4806896 4.4595254 0.3888057 0.1019825 0.3230491 5.3328814 17 Te 4.1488145 -0.2486007 0.2091021 -0.4806896 4.4595254 0.3888057 -0.1019825 0.3230491 5.3328814 18 Te 4.1488145 0.2486007 -0.2091021 0.4806896 4.4595254 0.3888057 0.1019825 0.3230491 5.3328814 19 Te 3.7346219 0.0000000 -1.5208775 -0.0000000 4.7399454 -0.0000000 -1.5702515 -0.0000000 4.1986379 20 Te 3.7346219 0.0000000 1.5208775 -0.0000000 4.7399454 -0.0000000 1.5702515 -0.0000000 4.1986379 21 O -2.7602557 -0.2612450 0.2092617 0.4189682 -1.7596657 -0.2624294 0.4197747 -0.1597785 -2.2899139 22 O -1.2311782 -0.2065080 0.3873634 -0.3204348 -3.3826757 0.2819330 0.5375129 0.7635237 -2.2782154 23 O -2.7602557 0.2612450 -0.2092617 -0.4189682 -1.7596657 -0.2624294 -0.4197747 -0.1597785 -2.2899139 24 O -2.7602557 -0.2612450 -0.2092617 0.4189682 -1.7596657 0.2624294 -0.4197747 0.1597785 -2.2899139 25 O -1.2311782 0.2065080 0.3873634 0.3204348 -3.3826757 -0.2819330 0.5375129 -0.7635237 -2.2782154 26 O -1.4413406 0.0251266 -0.2417371 -0.6119200 -2.5758078 -1.3622399 -0.7089211 -1.1620330 -2.8291599 27 O -3.0755028 0.0000000 -0.1967277 -0.0000000 -2.4468320 -0.0000000 -1.2144245 -0.0000000 -2.2514526 28 O -2.7602557 0.2612450 0.2092617 -0.4189682 -1.7596657 0.2624294 0.4197747 0.1597785 -2.2899139 29 O -2.7602557 0.2612450 0.2092617 -0.4189682 -1.7596657 0.2624294 0.4197747 0.1597785 -2.2899139 30 O -2.7602557 0.2612450 -0.2092617 -0.4189682 -1.7596657 -0.2624294 -0.4197747 -0.1597785 -2.2899139 31 O -2.2192718 -0.4964261 -0.7877232 -0.0304381 -1.8617266 -0.7276487 -0.1533385 -0.9473602 -2.3970578 32 O -2.2192718 -0.4964261 -0.7877232 -0.0304381 -1.8617266 -0.7276487 -0.1533385 -0.9473602 -2.3970578 33 O -1.4413406 0.0251266 0.2417371 -0.6119200 -2.5758078 1.3622399 0.7089211 1.1620330 -2.8291599 34 O -2.2192718 0.4964261 -0.7877232 0.0304381 -1.8617266 0.7276487 -0.1533385 0.9473602 -2.3970578 35 O -3.0755028 0.0000000 -0.1967277 -0.0000000 -2.4468320 -0.0000000 -1.2144245 -0.0000000 -2.2514526 36 O -2.7602557 -0.2612450 0.2092617 0.4189682 -1.7596657 -0.2624294 0.4197747 -0.1597785 -2.2899139 37 O -2.2192718 -0.4964261 0.7877232 -0.0304381 -1.8617266 0.7276487 0.1533385 0.9473602 -2.3970578 38 O -1.2311782 -0.2065080 0.3873634 -0.3204348 -3.3826757 0.2819330 0.5375129 0.7635237 -2.2782154 39 O -3.0755028 0.0000000 0.1967277 -0.0000000 -2.4468320 -0.0000000 1.2144245 -0.0000000 -2.2514526 40 O -1.2311782 0.2065080 0.3873634 0.3204348 -3.3826757 -0.2819330 0.5375129 -0.7635237 -2.2782154 41 O -1.2311782 -0.2065080 -0.3873634 -0.3204348 -3.3826757 -0.2819330 -0.5375129 -0.7635237 -2.2782154 42 O -2.2192718 0.4964261 0.7877232 0.0304381 -1.8617266 -0.7276487 0.1533385 -0.9473602 -2.3970578 43 O -1.2311782 -0.2065080 -0.3873634 -0.3204348 -3.3826757 -0.2819330 -0.5375129 -0.7635237 -2.2782154 44 O -1.4413406 -0.0251266 0.2417371 0.6119200 -2.5758078 -1.3622399 0.7089211 -1.1620330 -2.8291599 45 O -2.2192718 0.4964261 -0.7877232 0.0304381 -1.8617266 0.7276487 -0.1533385 0.9473602 -2.3970578 46 O -1.4413406 0.0251266 0.2417371 -0.6119200 -2.5758078 1.3622399 0.7089211 1.1620330 -2.8291599 47 O -2.7602557 -0.2612450 -0.2092617 0.4189682 -1.7596657 0.2624294 -0.4197747 0.1597785 -2.2899139 48 O -1.4413406 -0.0251266 -0.2417371 0.6119200 -2.5758078 1.3622399 -0.7089211 1.1620330 -2.8291599 49 O -1.4413406 0.0251266 -0.2417371 -0.6119200 -2.5758078 -1.3622399 -0.7089211 -1.1620330 -2.8291599 50 O -3.0755028 0.0000000 0.1967277 -0.0000000 -2.4468320 -0.0000000 1.2144245 -0.0000000 -2.2514526 51 O -1.2311782 0.2065080 -0.3873634 0.3204348 -3.3826757 0.2819330 -0.5375129 0.7635237 -2.2782154 52 O -1.4413406 -0.0251266 -0.2417371 0.6119200 -2.5758078 1.3622399 -0.7089211 1.1620330 -2.8291599 53 O -2.2192718 0.4964261 0.7877232 0.0304381 -1.8617266 -0.7276487 0.1533385 -0.9473602 -2.3970578 54 O -1.2311782 0.2065080 -0.3873634 0.3204348 -3.3826757 0.2819330 -0.5375129 0.7635237 -2.2782154 55 O -2.2192718 -0.4964261 0.7877232 -0.0304381 -1.8617266 0.7276487 0.1533385 0.9473602 -2.3970578 56 O -1.4413406 -0.0251266 0.2417371 0.6119200 -2.5758078 -1.3622399 0.7089211 -1.1620330 -2.8291599 ---------------------------------------------------------------------------- Displacement-force dataset was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". -------------------------------- Symfc start ------------------------------- Symfc version 1.5.4 (https://github.com/symfc/symfc) Citation: A. Seko and A. Togo, Phys. Rev. B, 110, 214302 (2024) Computing [2] order force constants. Permutation basis: 336/336 Permutation basis: 28392/28392 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 3662 Number of blocks in projector: 3662 Finding block diagonal structure in projector. Using scipy connected_components. Number of blocks in projector (Sum rule): 6 --- Eigsh_solver_block: 1 / 6 --- Block_size: 800 Use submatrix version of eigh solver. (1) Block: 500 / 800 (2) Block: 250 / 500 (2) 234 eigenvectors found. (2) Block: 500 / 500 (2) 234 eigenvectors found. (2) Complementary block size: 32 (2) Compute compressed projector. (2) Use standard solver. (2) 16 eigenvectors found. (1) 484 eigenvectors found. (1) Block: 800 / 800 (1) 286 eigenvectors found. (1) Complementary block size: 30 (1) Compute compressed projector. (1) Use standard solver. (1) 14 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 768 Use submatrix version of eigh solver. (1) Block: 500 / 768 (2) Block: 250 / 500 (2) 238 eigenvectors found. (2) Block: 500 / 500 (2) 238 eigenvectors found. (2) Complementary block size: 24 (2) Compute compressed projector. (2) Use standard solver. (2) 12 eigenvectors found. (1) 488 eigenvectors found. (1) Block: 768 / 768 (1) 258 eigenvectors found. (1) Complementary block size: 22 (1) Compute compressed projector. (1) Use standard solver. (1) 10 eigenvectors found. --- Eigsh_solver_block: 3 / 6 --- Block_size: 768 Use submatrix version of eigh solver. (1) Block: 500 / 768 (2) Block: 250 / 500 (2) 238 eigenvectors found. (2) Block: 500 / 500 (2) 238 eigenvectors found. (2) Complementary block size: 24 (2) Compute compressed projector. (2) Use standard solver. (2) 12 eigenvectors found. (1) 488 eigenvectors found. (1) Block: 768 / 768 (1) 258 eigenvectors found. (1) Complementary block size: 22 (1) Compute compressed projector. (1) Use standard solver. (1) 10 eigenvectors found. --- Eigsh_solver_block: 4 / 6 --- Block_size: 442 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 442 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 442 Use standard eigh solver. Tree of FC basis block matrices: - (3662, 3598), data: False |-- (442, 434), data: True |-- (442, 434), data: True |-- (442, 434), data: True |-- (768, 756), data: False |-- (768, 10), data: (768, 22) @ (22, 10) |-- (268, 258), data: True |-- (500, 488), data: False |-- (500, 12), data: (500, 24) @ (24, 12) |-- (250, 238), data: True |-- (250, 238), data: True |-- (768, 756), data: False |-- (768, 10), data: (768, 22) @ (22, 10) |-- (268, 258), data: True |-- (500, 488), data: False |-- (500, 12), data: (500, 24) @ (24, 12) |-- (250, 238), data: True |-- (250, 238), data: True |-- (800, 784), data: False |-- (800, 14), data: (800, 30) @ (30, 14) |-- (300, 286), data: True |-- (500, 484), data: False |-- (500, 16), data: (500, 32) @ (32, 16) |-- (250, 234), data: True |-- (250, 234), data: True ----- Solver_atoms: 1 -- 112 / 112 Time (Solver_compr_matrix_reshape): 0.003 Solver_block: 100 / 880 - Time: 1.269 Solver_block: 200 / 880 - Time: 1.468 Solver_block: 300 / 880 - Time: 1.015 Solver_block: 400 / 880 - Time: 1.573 Solver_block: 500 / 880 - Time: 1.685 Solver_block: 600 / 880 - Time: 1.140 Solver_block: 700 / 880 - Time: 1.014 Solver_block: 800 / 880 - Time: 1.239 Solver_block: 880 / 880 - Time: 0.849 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 11.639 --------------------------------- Symfc end -------------------------------- Max drift of force constants: -0.00000000 (yy) -0.00000000 (yy) Permutation basis: 336/336 Permutation basis: 28392/28392 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 3662 Number of blocks in projector: 3662 Finding block diagonal structure in projector. Using scipy connected_components. Number of blocks in projector (Sum rule): 6 --- Eigsh_solver_block: 1 / 6 --- Block_size: 800 Use submatrix version of eigh solver. (1) Block: 500 / 800 (2) Block: 250 / 500 (2) 234 eigenvectors found. (2) Block: 500 / 500 (2) 234 eigenvectors found. (2) Complementary block size: 32 (2) Compute compressed projector. (2) Use standard solver. (2) 16 eigenvectors found. (1) 484 eigenvectors found. (1) Block: 800 / 800 (1) 286 eigenvectors found. (1) Complementary block size: 30 (1) Compute compressed projector. (1) Use standard solver. (1) 14 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 768 Use submatrix version of eigh solver. (1) Block: 500 / 768 (2) Block: 250 / 500 (2) 238 eigenvectors found. (2) Block: 500 / 500 (2) 238 eigenvectors found. (2) Complementary block size: 24 (2) Compute compressed projector. (2) Use standard solver. (2) 12 eigenvectors found. (1) 488 eigenvectors found. (1) Block: 768 / 768 (1) 258 eigenvectors found. (1) Complementary block size: 22 (1) Compute compressed projector. (1) Use standard solver. (1) 10 eigenvectors found. --- Eigsh_solver_block: 3 / 6 --- Block_size: 768 Use submatrix version of eigh solver. (1) Block: 500 / 768 (2) Block: 250 / 500 (2) 238 eigenvectors found. (2) Block: 500 / 500 (2) 238 eigenvectors found. (2) Complementary block size: 24 (2) Compute compressed projector. (2) Use standard solver. (2) 12 eigenvectors found. (1) 488 eigenvectors found. (1) Block: 768 / 768 (1) 258 eigenvectors found. (1) Complementary block size: 22 (1) Compute compressed projector. (1) Use standard solver. (1) 10 eigenvectors found. --- Eigsh_solver_block: 4 / 6 --- Block_size: 442 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 442 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 442 Use standard eigh solver. Tree of FC basis block matrices: - (3662, 3598), data: False |-- (442, 434), data: True |-- (442, 434), data: True |-- (442, 434), data: True |-- (768, 756), data: False |-- (768, 10), data: (768, 22) @ (22, 10) |-- (268, 258), data: True |-- (500, 488), data: False |-- (500, 12), data: (500, 24) @ (24, 12) |-- (250, 238), data: True |-- (250, 238), data: True |-- (768, 756), data: False |-- (768, 10), data: (768, 22) @ (22, 10) |-- (268, 258), data: True |-- (500, 488), data: False |-- (500, 12), data: (500, 24) @ (24, 12) |-- (250, 238), data: True |-- (250, 238), data: True |-- (800, 784), data: False |-- (800, 14), data: (800, 30) @ (30, 14) |-- (300, 286), data: True |-- (500, 484), data: False |-- (500, 16), data: (500, 32) @ (32, 16) |-- (250, 234), data: True |-- (250, 234), data: True Max drift after symmetrization by symfc projector: -0.00000000 (yy) -0.00000000 (yy) 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 06:47:00]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 06:47:01]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: force constants HDF5 data compression filter: gzip Crystal structure was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". Supercell (dim): [1 1 2] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: Pnma (62) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 8.037266600000001 0.000000000000000 0.000000000000000 b 0.000000000000000 18.288343810000001 0.000000000000000 c 0.000000000000000 0.000000000000000 5.457652940000000 Atomic positions (fractional): 1 In 0.68740430025966 0.56287066906473 0.70860967299458 114.818 2 In 0.18740430025966 0.93712933093527 0.79139032700542 114.818 3 In 0.81259569974034 0.43712933093527 0.20860967299458 114.818 4 In 0.31259569974034 0.43712933093527 0.29139032700542 114.818 5 In 0.68740430025966 0.93712933093527 0.70860967299458 114.818 6 In 0.31259569974034 0.06287066906473 0.29139032700542 114.818 7 In 0.81259569974034 0.06287066906473 0.20860967299458 114.818 8 In 0.18740430025966 0.56287066906473 0.79139032700542 114.818 9 Te 0.15393689633592 0.75000000000000 0.72785762813445 127.600 10 Te 0.13299721467343 0.36705637298934 0.81056055175891 127.600 11 Te 0.86700278532657 0.63294362701066 0.18943944824109 127.600 12 Te 0.34606310366408 0.25000000000000 0.22785762813445 127.600 13 Te 0.63299721467343 0.36705637298934 0.68943944824109 127.600 14 Te 0.63299721467343 0.13294362701066 0.68943944824109 127.600 15 Te 0.36700278532657 0.86705637298934 0.31056055175891 127.600 16 Te 0.86700278532657 0.86705637298934 0.18943944824109 127.600 17 Te 0.36700278532657 0.63294362701066 0.31056055175891 127.600 18 Te 0.13299721467343 0.13294362701066 0.81056055175891 127.600 19 Te 0.84606310366408 0.25000000000000 0.27214237186555 127.600 20 Te 0.65393689633592 0.75000000000000 0.77214237186555 127.600 21 O 0.14978810167438 0.62839662012878 0.46085010011185 15.999 22 O 0.82296668933923 0.54212031116208 0.37564348121843 15.999 23 O 0.64978810167439 0.87160337987122 0.03914989988815 15.999 24 O 0.64978810167439 0.62839662012878 0.03914989988815 15.999 25 O 0.82296668933923 0.95787968883792 0.37564348121843 15.999 26 O 0.78754863109071 0.17340030068502 0.04425973583795 15.999 27 O 0.86438525331689 0.75000000000000 0.94559934663838 15.999 28 O 0.14978810167438 0.87160337987122 0.46085010011185 15.999 29 O 0.85021189832561 0.12839662012878 0.53914989988815 15.999 30 O 0.35021189832562 0.12839662012878 0.96085010011185 15.999 31 O 0.43355064204367 0.92764070920166 0.59141621974356 15.999 32 O 0.56644935795633 0.07235929079834 0.40858378025644 15.999 33 O 0.28754863109071 0.17340030068502 0.45574026416205 15.999 34 O 0.43355064204367 0.57235929079834 0.59141621974356 15.999 35 O 0.13561474668311 0.25000000000000 0.05440065336162 15.999 36 O 0.85021189832561 0.37160337987122 0.53914989988815 15.999 37 O 0.06644935795633 0.07235929079834 0.09141621974356 15.999 38 O 0.17703331066077 0.45787968883792 0.62435651878157 15.999 39 O 0.63561474668311 0.25000000000000 0.44559934663838 15.999 40 O 0.17703331066077 0.04212031116208 0.62435651878157 15.999 41 O 0.32296668933923 0.54212031116208 0.12435651878157 15.999 42 O 0.06644935795633 0.42764070920166 0.09141621974356 15.999 43 O 0.67703331066077 0.45787968883792 0.87564348121843 15.999 44 O 0.28754863109071 0.32659969931498 0.45574026416205 15.999 45 O 0.56644935795633 0.42764070920166 0.40858378025644 15.999 46 O 0.71245136890929 0.82659969931498 0.54425973583795 15.999 47 O 0.35021189832562 0.37160337987122 0.96085010011185 15.999 48 O 0.78754863109071 0.32659969931498 0.04425973583795 15.999 49 O 0.21245136890929 0.82659969931498 0.95574026416205 15.999 50 O 0.36438525331689 0.75000000000000 0.55440065336162 15.999 51 O 0.32296668933923 0.95787968883792 0.12435651878157 15.999 52 O 0.21245136890929 0.67340030068502 0.95574026416205 15.999 53 O 0.93355064204367 0.57235929079834 0.90858378025644 15.999 54 O 0.67703331066077 0.04212031116208 0.87564348121843 15.999 55 O 0.93355064204367 0.92764070920166 0.90858378025644 15.999 56 O 0.71245136890929 0.67340030068502 0.54425973583795 15.999 -------------------------------- supercell --------------------------------- Lattice vectors: a 8.037266600000001 0.000000000000000 0.000000000000000 b 0.000000000000000 18.288343810000001 0.000000000000000 c 0.000000000000000 0.000000000000000 10.915305880000000 Atomic positions (fractional): 1 In 0.68740430025966 0.56287066906473 0.35430483649729 114.818 > 1 2 In 0.68740430025966 0.56287066906473 0.85430483649729 114.818 > 1 3 In 0.18740430025966 0.93712933093527 0.39569516350271 114.818 > 3 4 In 0.18740430025966 0.93712933093527 0.89569516350271 114.818 > 3 5 In 0.81259569974034 0.43712933093527 0.10430483649729 114.818 > 5 6 In 0.81259569974034 0.43712933093527 0.60430483649729 114.818 > 5 7 In 0.31259569974034 0.43712933093527 0.14569516350271 114.818 > 7 8 In 0.31259569974034 0.43712933093527 0.64569516350271 114.818 > 7 9 In 0.68740430025966 0.93712933093527 0.35430483649729 114.818 > 9 10 In 0.68740430025966 0.93712933093527 0.85430483649729 114.818 > 9 11 In 0.31259569974034 0.06287066906473 0.14569516350271 114.818 > 11 12 In 0.31259569974034 0.06287066906473 0.64569516350271 114.818 > 11 13 In 0.81259569974034 0.06287066906473 0.10430483649729 114.818 > 13 14 In 0.81259569974034 0.06287066906473 0.60430483649729 114.818 > 13 15 In 0.18740430025966 0.56287066906473 0.39569516350271 114.818 > 15 16 In 0.18740430025966 0.56287066906473 0.89569516350271 114.818 > 15 17 Te 0.15393689633592 0.75000000000000 0.36392881406723 127.600 > 17 18 Te 0.15393689633592 0.75000000000000 0.86392881406723 127.600 > 17 19 Te 0.13299721467343 0.36705637298934 0.40528027587945 127.600 > 19 20 Te 0.13299721467343 0.36705637298934 0.90528027587945 127.600 > 19 21 Te 0.86700278532657 0.63294362701066 0.09471972412055 127.600 > 21 22 Te 0.86700278532657 0.63294362701066 0.59471972412055 127.600 > 21 23 Te 0.34606310366408 0.25000000000000 0.11392881406723 127.600 > 23 24 Te 0.34606310366408 0.25000000000000 0.61392881406723 127.600 > 23 25 Te 0.63299721467343 0.36705637298934 0.34471972412055 127.600 > 25 26 Te 0.63299721467343 0.36705637298934 0.84471972412055 127.600 > 25 27 Te 0.63299721467343 0.13294362701066 0.34471972412055 127.600 > 27 28 Te 0.63299721467343 0.13294362701066 0.84471972412055 127.600 > 27 29 Te 0.36700278532657 0.86705637298934 0.15528027587945 127.600 > 29 30 Te 0.36700278532657 0.86705637298934 0.65528027587945 127.600 > 29 31 Te 0.86700278532657 0.86705637298934 0.09471972412055 127.600 > 31 32 Te 0.86700278532657 0.86705637298934 0.59471972412055 127.600 > 31 33 Te 0.36700278532657 0.63294362701066 0.15528027587945 127.600 > 33 34 Te 0.36700278532657 0.63294362701066 0.65528027587945 127.600 > 33 35 Te 0.13299721467343 0.13294362701066 0.40528027587945 127.600 > 35 36 Te 0.13299721467343 0.13294362701066 0.90528027587945 127.600 > 35 37 Te 0.84606310366408 0.25000000000000 0.13607118593277 127.600 > 37 38 Te 0.84606310366408 0.25000000000000 0.63607118593277 127.600 > 37 39 Te 0.65393689633592 0.75000000000000 0.38607118593277 127.600 > 39 40 Te 0.65393689633592 0.75000000000000 0.88607118593277 127.600 > 39 41 O 0.14978810167438 0.62839662012878 0.23042505005593 15.999 > 41 42 O 0.14978810167438 0.62839662012878 0.73042505005593 15.999 > 41 43 O 0.82296668933923 0.54212031116208 0.18782174060921 15.999 > 43 44 O 0.82296668933923 0.54212031116208 0.68782174060921 15.999 > 43 45 O 0.64978810167439 0.87160337987122 0.01957494994407 15.999 > 45 46 O 0.64978810167439 0.87160337987122 0.51957494994407 15.999 > 45 47 O 0.64978810167439 0.62839662012878 0.01957494994407 15.999 > 47 48 O 0.64978810167439 0.62839662012878 0.51957494994407 15.999 > 47 49 O 0.82296668933923 0.95787968883792 0.18782174060921 15.999 > 49 50 O 0.82296668933923 0.95787968883792 0.68782174060921 15.999 > 49 51 O 0.78754863109071 0.17340030068502 0.02212986791897 15.999 > 51 52 O 0.78754863109071 0.17340030068502 0.52212986791897 15.999 > 51 53 O 0.86438525331689 0.75000000000000 0.47279967331919 15.999 > 53 54 O 0.86438525331689 0.75000000000000 0.97279967331919 15.999 > 53 55 O 0.14978810167438 0.87160337987122 0.23042505005593 15.999 > 55 56 O 0.14978810167438 0.87160337987122 0.73042505005593 15.999 > 55 57 O 0.85021189832561 0.12839662012878 0.26957494994407 15.999 > 57 58 O 0.85021189832561 0.12839662012878 0.76957494994407 15.999 > 57 59 O 0.35021189832562 0.12839662012878 0.48042505005593 15.999 > 59 60 O 0.35021189832562 0.12839662012878 0.98042505005593 15.999 > 59 61 O 0.43355064204367 0.92764070920166 0.29570810987178 15.999 > 61 62 O 0.43355064204367 0.92764070920166 0.79570810987178 15.999 > 61 63 O 0.56644935795633 0.07235929079834 0.20429189012822 15.999 > 63 64 O 0.56644935795633 0.07235929079834 0.70429189012822 15.999 > 63 65 O 0.28754863109071 0.17340030068502 0.22787013208103 15.999 > 65 66 O 0.28754863109071 0.17340030068502 0.72787013208103 15.999 > 65 67 O 0.43355064204367 0.57235929079834 0.29570810987178 15.999 > 67 68 O 0.43355064204367 0.57235929079834 0.79570810987178 15.999 > 67 69 O 0.13561474668311 0.25000000000000 0.02720032668081 15.999 > 69 70 O 0.13561474668311 0.25000000000000 0.52720032668081 15.999 > 69 71 O 0.85021189832561 0.37160337987122 0.26957494994407 15.999 > 71 72 O 0.85021189832561 0.37160337987122 0.76957494994407 15.999 > 71 73 O 0.06644935795633 0.07235929079834 0.04570810987178 15.999 > 73 74 O 0.06644935795633 0.07235929079834 0.54570810987178 15.999 > 73 75 O 0.17703331066077 0.45787968883792 0.31217825939079 15.999 > 75 76 O 0.17703331066077 0.45787968883792 0.81217825939079 15.999 > 75 77 O 0.63561474668311 0.25000000000000 0.22279967331919 15.999 > 77 78 O 0.63561474668311 0.25000000000000 0.72279967331919 15.999 > 77 79 O 0.17703331066077 0.04212031116208 0.31217825939079 15.999 > 79 80 O 0.17703331066077 0.04212031116208 0.81217825939079 15.999 > 79 81 O 0.32296668933923 0.54212031116208 0.06217825939079 15.999 > 81 82 O 0.32296668933923 0.54212031116208 0.56217825939079 15.999 > 81 83 O 0.06644935795633 0.42764070920166 0.04570810987178 15.999 > 83 84 O 0.06644935795633 0.42764070920166 0.54570810987178 15.999 > 83 85 O 0.67703331066077 0.45787968883792 0.43782174060921 15.999 > 85 86 O 0.67703331066077 0.45787968883792 0.93782174060921 15.999 > 85 87 O 0.28754863109071 0.32659969931498 0.22787013208103 15.999 > 87 88 O 0.28754863109071 0.32659969931498 0.72787013208103 15.999 > 87 89 O 0.56644935795633 0.42764070920166 0.20429189012822 15.999 > 89 90 O 0.56644935795633 0.42764070920166 0.70429189012822 15.999 > 89 91 O 0.71245136890929 0.82659969931498 0.27212986791897 15.999 > 91 92 O 0.71245136890929 0.82659969931498 0.77212986791897 15.999 > 91 93 O 0.35021189832562 0.37160337987122 0.48042505005593 15.999 > 93 94 O 0.35021189832562 0.37160337987122 0.98042505005593 15.999 > 93 95 O 0.78754863109071 0.32659969931498 0.02212986791897 15.999 > 95 96 O 0.78754863109071 0.32659969931498 0.52212986791897 15.999 > 95 97 O 0.21245136890929 0.82659969931498 0.47787013208103 15.999 > 97 98 O 0.21245136890929 0.82659969931498 0.97787013208103 15.999 > 97 99 O 0.36438525331689 0.75000000000000 0.27720032668081 15.999 > 99 100 O 0.36438525331689 0.75000000000000 0.77720032668081 15.999 > 99 101 O 0.32296668933923 0.95787968883792 0.06217825939079 15.999 > 101 102 O 0.32296668933923 0.95787968883792 0.56217825939079 15.999 > 101 103 O 0.21245136890929 0.67340030068502 0.47787013208103 15.999 > 103 104 O 0.21245136890929 0.67340030068502 0.97787013208103 15.999 > 103 105 O 0.93355064204367 0.57235929079834 0.45429189012822 15.999 > 105 106 O 0.93355064204367 0.57235929079834 0.95429189012822 15.999 > 105 107 O 0.67703331066077 0.04212031116208 0.43782174060921 15.999 > 107 108 O 0.67703331066077 0.04212031116208 0.93782174060921 15.999 > 107 109 O 0.93355064204367 0.92764070920166 0.45429189012822 15.999 > 109 110 O 0.93355064204367 0.92764070920166 0.95429189012822 15.999 > 109 111 O 0.71245136890929 0.67340030068502 0.27212986791897 15.999 > 111 112 O 0.71245136890929 0.67340030068502 0.77212986791897 15.999 > 111 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 4.7704154 0.0000000 0.0000000 0.0000000 5.1763892 0.0000000 0.0000000 0.0000000 5.3506411 -------------------------- Born effective charges -------------------------- 1 In 3.1736724 0.1755139 0.3930721 0.0875050 3.9737937 -0.2832709 0.4329011 0.2336143 3.4878730 2 In 3.1736724 -0.1755139 -0.3930721 -0.0875050 3.9737937 -0.2832709 -0.4329011 0.2336143 3.4878730 3 In 3.1736724 0.1755139 -0.3930721 0.0875050 3.9737937 0.2832709 -0.4329011 -0.2336143 3.4878730 4 In 3.1736724 0.1755139 0.3930721 0.0875050 3.9737937 -0.2832709 0.4329011 0.2336143 3.4878730 5 In 3.1736724 -0.1755139 0.3930721 -0.0875050 3.9737937 0.2832709 0.4329011 -0.2336143 3.4878730 6 In 3.1736724 -0.1755139 0.3930721 -0.0875050 3.9737937 0.2832709 0.4329011 -0.2336143 3.4878730 7 In 3.1736724 -0.1755139 -0.3930721 -0.0875050 3.9737937 -0.2832709 -0.4329011 0.2336143 3.4878730 8 In 3.1736724 0.1755139 -0.3930721 0.0875050 3.9737937 0.2832709 -0.4329011 -0.2336143 3.4878730 9 Te 3.7346219 0.0000000 -1.5208775 -0.0000000 4.7399454 -0.0000000 -1.5702515 -0.0000000 4.1986379 10 Te 4.1488145 -0.2486007 -0.2091021 -0.4806896 4.4595254 -0.3888057 0.1019825 -0.3230491 5.3328814 11 Te 4.1488145 -0.2486007 -0.2091021 -0.4806896 4.4595254 -0.3888057 0.1019825 -0.3230491 5.3328814 12 Te 3.7346219 0.0000000 1.5208775 -0.0000000 4.7399454 -0.0000000 1.5702515 -0.0000000 4.1986379 13 Te 4.1488145 -0.2486007 0.2091021 -0.4806896 4.4595254 0.3888057 -0.1019825 0.3230491 5.3328814 14 Te 4.1488145 0.2486007 0.2091021 0.4806896 4.4595254 -0.3888057 -0.1019825 -0.3230491 5.3328814 15 Te 4.1488145 0.2486007 0.2091021 0.4806896 4.4595254 -0.3888057 -0.1019825 -0.3230491 5.3328814 16 Te 4.1488145 0.2486007 -0.2091021 0.4806896 4.4595254 0.3888057 0.1019825 0.3230491 5.3328814 17 Te 4.1488145 -0.2486007 0.2091021 -0.4806896 4.4595254 0.3888057 -0.1019825 0.3230491 5.3328814 18 Te 4.1488145 0.2486007 -0.2091021 0.4806896 4.4595254 0.3888057 0.1019825 0.3230491 5.3328814 19 Te 3.7346219 0.0000000 -1.5208775 -0.0000000 4.7399454 -0.0000000 -1.5702515 -0.0000000 4.1986379 20 Te 3.7346219 0.0000000 1.5208775 -0.0000000 4.7399454 -0.0000000 1.5702515 -0.0000000 4.1986379 21 O -2.7602557 -0.2612450 0.2092617 0.4189682 -1.7596657 -0.2624294 0.4197747 -0.1597785 -2.2899139 22 O -1.2311782 -0.2065080 0.3873634 -0.3204348 -3.3826757 0.2819330 0.5375129 0.7635237 -2.2782154 23 O -2.7602557 0.2612450 -0.2092617 -0.4189682 -1.7596657 -0.2624294 -0.4197747 -0.1597785 -2.2899139 24 O -2.7602557 -0.2612450 -0.2092617 0.4189682 -1.7596657 0.2624294 -0.4197747 0.1597785 -2.2899139 25 O -1.2311782 0.2065080 0.3873634 0.3204348 -3.3826757 -0.2819330 0.5375129 -0.7635237 -2.2782154 26 O -1.4413406 0.0251266 -0.2417371 -0.6119200 -2.5758078 -1.3622399 -0.7089211 -1.1620330 -2.8291599 27 O -3.0755028 0.0000000 -0.1967277 -0.0000000 -2.4468320 -0.0000000 -1.2144245 -0.0000000 -2.2514526 28 O -2.7602557 0.2612450 0.2092617 -0.4189682 -1.7596657 0.2624294 0.4197747 0.1597785 -2.2899139 29 O -2.7602557 0.2612450 0.2092617 -0.4189682 -1.7596657 0.2624294 0.4197747 0.1597785 -2.2899139 30 O -2.7602557 0.2612450 -0.2092617 -0.4189682 -1.7596657 -0.2624294 -0.4197747 -0.1597785 -2.2899139 31 O -2.2192718 -0.4964261 -0.7877232 -0.0304381 -1.8617266 -0.7276487 -0.1533385 -0.9473602 -2.3970578 32 O -2.2192718 -0.4964261 -0.7877232 -0.0304381 -1.8617266 -0.7276487 -0.1533385 -0.9473602 -2.3970578 33 O -1.4413406 0.0251266 0.2417371 -0.6119200 -2.5758078 1.3622399 0.7089211 1.1620330 -2.8291599 34 O -2.2192718 0.4964261 -0.7877232 0.0304381 -1.8617266 0.7276487 -0.1533385 0.9473602 -2.3970578 35 O -3.0755028 0.0000000 -0.1967277 -0.0000000 -2.4468320 -0.0000000 -1.2144245 -0.0000000 -2.2514526 36 O -2.7602557 -0.2612450 0.2092617 0.4189682 -1.7596657 -0.2624294 0.4197747 -0.1597785 -2.2899139 37 O -2.2192718 -0.4964261 0.7877232 -0.0304381 -1.8617266 0.7276487 0.1533385 0.9473602 -2.3970578 38 O -1.2311782 -0.2065080 0.3873634 -0.3204348 -3.3826757 0.2819330 0.5375129 0.7635237 -2.2782154 39 O -3.0755028 0.0000000 0.1967277 -0.0000000 -2.4468320 -0.0000000 1.2144245 -0.0000000 -2.2514526 40 O -1.2311782 0.2065080 0.3873634 0.3204348 -3.3826757 -0.2819330 0.5375129 -0.7635237 -2.2782154 41 O -1.2311782 -0.2065080 -0.3873634 -0.3204348 -3.3826757 -0.2819330 -0.5375129 -0.7635237 -2.2782154 42 O -2.2192718 0.4964261 0.7877232 0.0304381 -1.8617266 -0.7276487 0.1533385 -0.9473602 -2.3970578 43 O -1.2311782 -0.2065080 -0.3873634 -0.3204348 -3.3826757 -0.2819330 -0.5375129 -0.7635237 -2.2782154 44 O -1.4413406 -0.0251266 0.2417371 0.6119200 -2.5758078 -1.3622399 0.7089211 -1.1620330 -2.8291599 45 O -2.2192718 0.4964261 -0.7877232 0.0304381 -1.8617266 0.7276487 -0.1533385 0.9473602 -2.3970578 46 O -1.4413406 0.0251266 0.2417371 -0.6119200 -2.5758078 1.3622399 0.7089211 1.1620330 -2.8291599 47 O -2.7602557 -0.2612450 -0.2092617 0.4189682 -1.7596657 0.2624294 -0.4197747 0.1597785 -2.2899139 48 O -1.4413406 -0.0251266 -0.2417371 0.6119200 -2.5758078 1.3622399 -0.7089211 1.1620330 -2.8291599 49 O -1.4413406 0.0251266 -0.2417371 -0.6119200 -2.5758078 -1.3622399 -0.7089211 -1.1620330 -2.8291599 50 O -3.0755028 0.0000000 0.1967277 -0.0000000 -2.4468320 -0.0000000 1.2144245 -0.0000000 -2.2514526 51 O -1.2311782 0.2065080 -0.3873634 0.3204348 -3.3826757 0.2819330 -0.5375129 0.7635237 -2.2782154 52 O -1.4413406 -0.0251266 -0.2417371 0.6119200 -2.5758078 1.3622399 -0.7089211 1.1620330 -2.8291599 53 O -2.2192718 0.4964261 0.7877232 0.0304381 -1.8617266 -0.7276487 0.1533385 -0.9473602 -2.3970578 54 O -1.2311782 0.2065080 -0.3873634 0.3204348 -3.3826757 0.2819330 -0.5375129 0.7635237 -2.2782154 55 O -2.2192718 -0.4964261 0.7877232 -0.0304381 -1.8617266 0.7276487 0.1533385 0.9473602 -2.3970578 56 O -1.4413406 -0.0251266 0.2417371 0.6119200 -2.5758078 -1.3622399 0.7089211 -1.1620330 -2.8291599 ---------------------------------------------------------------------------- Sets of supercell forces were read from "FORCES_FC3.xz". Displacement dataset for fc3 was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". ----------------------------- Force constants ------------------------------ Computing fc3[ 1, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 17, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 19, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 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] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 43, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 51, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 53, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 61, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Expanding fc3. Symmetrizing fc3 by traditional approach (N=3). Symmetrizing fc2 by traditional approach (N=3). Max drift of fc3: 0.00000001 (zxz) 0.00000001 (zxz) 0.00000001 (zzx) fc3 was written into "fc3.hdf5". Max drift of fc2: -0.00000000 (xy) -0.00000000 (xy) fc2 was written into "fc2.hdf5". --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperatures: 0.0 300.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 ----------- None of ph-ph interaction calculation was performed. ----------- Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 06:47:43]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 06:47:43]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: conductivity-RTA HDF5 data compression filter: gzip Crystal structure was read from "phono3py.yaml". Supercell (dim): [1 1 2] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: Pnma (62) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 8.037266600000001 0.000000000000000 0.000000000000000 b 0.000000000000000 18.288343810000001 0.000000000000000 c 0.000000000000000 0.000000000000000 5.457652940000000 Atomic positions (fractional): 1 In 0.68740430025966 0.56287066906473 0.70860967299458 114.818 2 In 0.18740430025966 0.93712933093527 0.79139032700542 114.818 3 In 0.81259569974034 0.43712933093527 0.20860967299458 114.818 4 In 0.31259569974034 0.43712933093527 0.29139032700542 114.818 5 In 0.68740430025966 0.93712933093527 0.70860967299458 114.818 6 In 0.31259569974034 0.06287066906473 0.29139032700542 114.818 7 In 0.81259569974034 0.06287066906473 0.20860967299458 114.818 8 In 0.18740430025966 0.56287066906473 0.79139032700542 114.818 9 Te 0.15393689633592 0.75000000000000 0.72785762813445 127.600 10 Te 0.13299721467343 0.36705637298934 0.81056055175891 127.600 11 Te 0.86700278532657 0.63294362701066 0.18943944824109 127.600 12 Te 0.34606310366408 0.25000000000000 0.22785762813445 127.600 13 Te 0.63299721467343 0.36705637298934 0.68943944824109 127.600 14 Te 0.63299721467343 0.13294362701066 0.68943944824109 127.600 15 Te 0.36700278532657 0.86705637298934 0.31056055175891 127.600 16 Te 0.86700278532657 0.86705637298934 0.18943944824109 127.600 17 Te 0.36700278532657 0.63294362701066 0.31056055175891 127.600 18 Te 0.13299721467343 0.13294362701066 0.81056055175891 127.600 19 Te 0.84606310366408 0.25000000000000 0.27214237186555 127.600 20 Te 0.65393689633592 0.75000000000000 0.77214237186555 127.600 21 O 0.14978810167438 0.62839662012878 0.46085010011185 15.999 22 O 0.82296668933923 0.54212031116208 0.37564348121843 15.999 23 O 0.64978810167439 0.87160337987122 0.03914989988815 15.999 24 O 0.64978810167439 0.62839662012878 0.03914989988815 15.999 25 O 0.82296668933923 0.95787968883792 0.37564348121843 15.999 26 O 0.78754863109071 0.17340030068502 0.04425973583795 15.999 27 O 0.86438525331689 0.75000000000000 0.94559934663838 15.999 28 O 0.14978810167438 0.87160337987122 0.46085010011185 15.999 29 O 0.85021189832561 0.12839662012878 0.53914989988815 15.999 30 O 0.35021189832562 0.12839662012878 0.96085010011185 15.999 31 O 0.43355064204367 0.92764070920166 0.59141621974356 15.999 32 O 0.56644935795633 0.07235929079834 0.40858378025644 15.999 33 O 0.28754863109071 0.17340030068502 0.45574026416205 15.999 34 O 0.43355064204367 0.57235929079834 0.59141621974356 15.999 35 O 0.13561474668311 0.25000000000000 0.05440065336162 15.999 36 O 0.85021189832561 0.37160337987122 0.53914989988815 15.999 37 O 0.06644935795633 0.07235929079834 0.09141621974356 15.999 38 O 0.17703331066077 0.45787968883792 0.62435651878157 15.999 39 O 0.63561474668311 0.25000000000000 0.44559934663838 15.999 40 O 0.17703331066077 0.04212031116208 0.62435651878157 15.999 41 O 0.32296668933923 0.54212031116208 0.12435651878157 15.999 42 O 0.06644935795633 0.42764070920166 0.09141621974356 15.999 43 O 0.67703331066077 0.45787968883792 0.87564348121843 15.999 44 O 0.28754863109071 0.32659969931498 0.45574026416205 15.999 45 O 0.56644935795633 0.42764070920166 0.40858378025644 15.999 46 O 0.71245136890929 0.82659969931498 0.54425973583795 15.999 47 O 0.35021189832562 0.37160337987122 0.96085010011185 15.999 48 O 0.78754863109071 0.32659969931498 0.04425973583795 15.999 49 O 0.21245136890929 0.82659969931498 0.95574026416205 15.999 50 O 0.36438525331689 0.75000000000000 0.55440065336162 15.999 51 O 0.32296668933923 0.95787968883792 0.12435651878157 15.999 52 O 0.21245136890929 0.67340030068502 0.95574026416205 15.999 53 O 0.93355064204367 0.57235929079834 0.90858378025644 15.999 54 O 0.67703331066077 0.04212031116208 0.87564348121843 15.999 55 O 0.93355064204367 0.92764070920166 0.90858378025644 15.999 56 O 0.71245136890929 0.67340030068502 0.54425973583795 15.999 -------------------------------- supercell --------------------------------- Lattice vectors: a 8.037266600000001 0.000000000000000 0.000000000000000 b 0.000000000000000 18.288343810000001 0.000000000000000 c 0.000000000000000 0.000000000000000 10.915305880000000 Atomic positions (fractional): 1 In 0.68740430025966 0.56287066906473 0.35430483649729 114.818 > 1 2 In 0.68740430025966 0.56287066906473 0.85430483649729 114.818 > 1 3 In 0.18740430025966 0.93712933093527 0.39569516350271 114.818 > 3 4 In 0.18740430025966 0.93712933093527 0.89569516350271 114.818 > 3 5 In 0.81259569974034 0.43712933093527 0.10430483649729 114.818 > 5 6 In 0.81259569974034 0.43712933093527 0.60430483649729 114.818 > 5 7 In 0.31259569974034 0.43712933093527 0.14569516350271 114.818 > 7 8 In 0.31259569974034 0.43712933093527 0.64569516350271 114.818 > 7 9 In 0.68740430025966 0.93712933093527 0.35430483649729 114.818 > 9 10 In 0.68740430025966 0.93712933093527 0.85430483649729 114.818 > 9 11 In 0.31259569974034 0.06287066906473 0.14569516350271 114.818 > 11 12 In 0.31259569974034 0.06287066906473 0.64569516350271 114.818 > 11 13 In 0.81259569974034 0.06287066906473 0.10430483649729 114.818 > 13 14 In 0.81259569974034 0.06287066906473 0.60430483649729 114.818 > 13 15 In 0.18740430025966 0.56287066906473 0.39569516350271 114.818 > 15 16 In 0.18740430025966 0.56287066906473 0.89569516350271 114.818 > 15 17 Te 0.15393689633592 0.75000000000000 0.36392881406723 127.600 > 17 18 Te 0.15393689633592 0.75000000000000 0.86392881406723 127.600 > 17 19 Te 0.13299721467343 0.36705637298934 0.40528027587945 127.600 > 19 20 Te 0.13299721467343 0.36705637298934 0.90528027587945 127.600 > 19 21 Te 0.86700278532657 0.63294362701066 0.09471972412055 127.600 > 21 22 Te 0.86700278532657 0.63294362701066 0.59471972412055 127.600 > 21 23 Te 0.34606310366408 0.25000000000000 0.11392881406723 127.600 > 23 24 Te 0.34606310366408 0.25000000000000 0.61392881406723 127.600 > 23 25 Te 0.63299721467343 0.36705637298934 0.34471972412055 127.600 > 25 26 Te 0.63299721467343 0.36705637298934 0.84471972412055 127.600 > 25 27 Te 0.63299721467343 0.13294362701066 0.34471972412055 127.600 > 27 28 Te 0.63299721467343 0.13294362701066 0.84471972412055 127.600 > 27 29 Te 0.36700278532657 0.86705637298934 0.15528027587945 127.600 > 29 30 Te 0.36700278532657 0.86705637298934 0.65528027587945 127.600 > 29 31 Te 0.86700278532657 0.86705637298934 0.09471972412055 127.600 > 31 32 Te 0.86700278532657 0.86705637298934 0.59471972412055 127.600 > 31 33 Te 0.36700278532657 0.63294362701066 0.15528027587945 127.600 > 33 34 Te 0.36700278532657 0.63294362701066 0.65528027587945 127.600 > 33 35 Te 0.13299721467343 0.13294362701066 0.40528027587945 127.600 > 35 36 Te 0.13299721467343 0.13294362701066 0.90528027587945 127.600 > 35 37 Te 0.84606310366408 0.25000000000000 0.13607118593277 127.600 > 37 38 Te 0.84606310366408 0.25000000000000 0.63607118593277 127.600 > 37 39 Te 0.65393689633592 0.75000000000000 0.38607118593277 127.600 > 39 40 Te 0.65393689633592 0.75000000000000 0.88607118593277 127.600 > 39 41 O 0.14978810167438 0.62839662012878 0.23042505005593 15.999 > 41 42 O 0.14978810167438 0.62839662012878 0.73042505005593 15.999 > 41 43 O 0.82296668933923 0.54212031116208 0.18782174060921 15.999 > 43 44 O 0.82296668933923 0.54212031116208 0.68782174060921 15.999 > 43 45 O 0.64978810167439 0.87160337987122 0.01957494994407 15.999 > 45 46 O 0.64978810167439 0.87160337987122 0.51957494994407 15.999 > 45 47 O 0.64978810167439 0.62839662012878 0.01957494994407 15.999 > 47 48 O 0.64978810167439 0.62839662012878 0.51957494994407 15.999 > 47 49 O 0.82296668933923 0.95787968883792 0.18782174060921 15.999 > 49 50 O 0.82296668933923 0.95787968883792 0.68782174060921 15.999 > 49 51 O 0.78754863109071 0.17340030068502 0.02212986791897 15.999 > 51 52 O 0.78754863109071 0.17340030068502 0.52212986791897 15.999 > 51 53 O 0.86438525331689 0.75000000000000 0.47279967331919 15.999 > 53 54 O 0.86438525331689 0.75000000000000 0.97279967331919 15.999 > 53 55 O 0.14978810167438 0.87160337987122 0.23042505005593 15.999 > 55 56 O 0.14978810167438 0.87160337987122 0.73042505005593 15.999 > 55 57 O 0.85021189832561 0.12839662012878 0.26957494994407 15.999 > 57 58 O 0.85021189832561 0.12839662012878 0.76957494994407 15.999 > 57 59 O 0.35021189832562 0.12839662012878 0.48042505005593 15.999 > 59 60 O 0.35021189832562 0.12839662012878 0.98042505005593 15.999 > 59 61 O 0.43355064204367 0.92764070920166 0.29570810987178 15.999 > 61 62 O 0.43355064204367 0.92764070920166 0.79570810987178 15.999 > 61 63 O 0.56644935795633 0.07235929079834 0.20429189012822 15.999 > 63 64 O 0.56644935795633 0.07235929079834 0.70429189012822 15.999 > 63 65 O 0.28754863109071 0.17340030068502 0.22787013208103 15.999 > 65 66 O 0.28754863109071 0.17340030068502 0.72787013208103 15.999 > 65 67 O 0.43355064204367 0.57235929079834 0.29570810987178 15.999 > 67 68 O 0.43355064204367 0.57235929079834 0.79570810987178 15.999 > 67 69 O 0.13561474668311 0.25000000000000 0.02720032668081 15.999 > 69 70 O 0.13561474668311 0.25000000000000 0.52720032668081 15.999 > 69 71 O 0.85021189832561 0.37160337987122 0.26957494994407 15.999 > 71 72 O 0.85021189832561 0.37160337987122 0.76957494994407 15.999 > 71 73 O 0.06644935795633 0.07235929079834 0.04570810987178 15.999 > 73 74 O 0.06644935795633 0.07235929079834 0.54570810987178 15.999 > 73 75 O 0.17703331066077 0.45787968883792 0.31217825939079 15.999 > 75 76 O 0.17703331066077 0.45787968883792 0.81217825939079 15.999 > 75 77 O 0.63561474668311 0.25000000000000 0.22279967331919 15.999 > 77 78 O 0.63561474668311 0.25000000000000 0.72279967331919 15.999 > 77 79 O 0.17703331066077 0.04212031116208 0.31217825939079 15.999 > 79 80 O 0.17703331066077 0.04212031116208 0.81217825939079 15.999 > 79 81 O 0.32296668933923 0.54212031116208 0.06217825939079 15.999 > 81 82 O 0.32296668933923 0.54212031116208 0.56217825939079 15.999 > 81 83 O 0.06644935795633 0.42764070920166 0.04570810987178 15.999 > 83 84 O 0.06644935795633 0.42764070920166 0.54570810987178 15.999 > 83 85 O 0.67703331066077 0.45787968883792 0.43782174060921 15.999 > 85 86 O 0.67703331066077 0.45787968883792 0.93782174060921 15.999 > 85 87 O 0.28754863109071 0.32659969931498 0.22787013208103 15.999 > 87 88 O 0.28754863109071 0.32659969931498 0.72787013208103 15.999 > 87 89 O 0.56644935795633 0.42764070920166 0.20429189012822 15.999 > 89 90 O 0.56644935795633 0.42764070920166 0.70429189012822 15.999 > 89 91 O 0.71245136890929 0.82659969931498 0.27212986791897 15.999 > 91 92 O 0.71245136890929 0.82659969931498 0.77212986791897 15.999 > 91 93 O 0.35021189832562 0.37160337987122 0.48042505005593 15.999 > 93 94 O 0.35021189832562 0.37160337987122 0.98042505005593 15.999 > 93 95 O 0.78754863109071 0.32659969931498 0.02212986791897 15.999 > 95 96 O 0.78754863109071 0.32659969931498 0.52212986791897 15.999 > 95 97 O 0.21245136890929 0.82659969931498 0.47787013208103 15.999 > 97 98 O 0.21245136890929 0.82659969931498 0.97787013208103 15.999 > 97 99 O 0.36438525331689 0.75000000000000 0.27720032668081 15.999 > 99 100 O 0.36438525331689 0.75000000000000 0.77720032668081 15.999 > 99 101 O 0.32296668933923 0.95787968883792 0.06217825939079 15.999 > 101 102 O 0.32296668933923 0.95787968883792 0.56217825939079 15.999 > 101 103 O 0.21245136890929 0.67340030068502 0.47787013208103 15.999 > 103 104 O 0.21245136890929 0.67340030068502 0.97787013208103 15.999 > 103 105 O 0.93355064204367 0.57235929079834 0.45429189012822 15.999 > 105 106 O 0.93355064204367 0.57235929079834 0.95429189012822 15.999 > 105 107 O 0.67703331066077 0.04212031116208 0.43782174060921 15.999 > 107 108 O 0.67703331066077 0.04212031116208 0.93782174060921 15.999 > 107 109 O 0.93355064204367 0.92764070920166 0.45429189012822 15.999 > 109 110 O 0.93355064204367 0.92764070920166 0.95429189012822 15.999 > 109 111 O 0.71245136890929 0.67340030068502 0.27212986791897 15.999 > 111 112 O 0.71245136890929 0.67340030068502 0.77212986791897 15.999 > 111 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 4.7704154 0.0000000 0.0000000 0.0000000 5.1763892 0.0000000 0.0000000 0.0000000 5.3506411 -------------------------- Born effective charges -------------------------- 1 In 3.1736724 0.1755139 0.3930721 0.0875050 3.9737937 -0.2832709 0.4329011 0.2336143 3.4878730 2 In 3.1736724 -0.1755139 -0.3930721 -0.0875050 3.9737937 -0.2832709 -0.4329011 0.2336143 3.4878730 3 In 3.1736724 0.1755139 -0.3930721 0.0875050 3.9737937 0.2832709 -0.4329011 -0.2336143 3.4878730 4 In 3.1736724 0.1755139 0.3930721 0.0875050 3.9737937 -0.2832709 0.4329011 0.2336143 3.4878730 5 In 3.1736724 -0.1755139 0.3930721 -0.0875050 3.9737937 0.2832709 0.4329011 -0.2336143 3.4878730 6 In 3.1736724 -0.1755139 0.3930721 -0.0875050 3.9737937 0.2832709 0.4329011 -0.2336143 3.4878730 7 In 3.1736724 -0.1755139 -0.3930721 -0.0875050 3.9737937 -0.2832709 -0.4329011 0.2336143 3.4878730 8 In 3.1736724 0.1755139 -0.3930721 0.0875050 3.9737937 0.2832709 -0.4329011 -0.2336143 3.4878730 9 Te 3.7346219 0.0000000 -1.5208775 -0.0000000 4.7399454 -0.0000000 -1.5702515 -0.0000000 4.1986379 10 Te 4.1488145 -0.2486007 -0.2091021 -0.4806896 4.4595254 -0.3888057 0.1019825 -0.3230491 5.3328814 11 Te 4.1488145 -0.2486007 -0.2091021 -0.4806896 4.4595254 -0.3888057 0.1019825 -0.3230491 5.3328814 12 Te 3.7346219 0.0000000 1.5208775 -0.0000000 4.7399454 -0.0000000 1.5702515 -0.0000000 4.1986379 13 Te 4.1488145 -0.2486007 0.2091021 -0.4806896 4.4595254 0.3888057 -0.1019825 0.3230491 5.3328814 14 Te 4.1488145 0.2486007 0.2091021 0.4806896 4.4595254 -0.3888057 -0.1019825 -0.3230491 5.3328814 15 Te 4.1488145 0.2486007 0.2091021 0.4806896 4.4595254 -0.3888057 -0.1019825 -0.3230491 5.3328814 16 Te 4.1488145 0.2486007 -0.2091021 0.4806896 4.4595254 0.3888057 0.1019825 0.3230491 5.3328814 17 Te 4.1488145 -0.2486007 0.2091021 -0.4806896 4.4595254 0.3888057 -0.1019825 0.3230491 5.3328814 18 Te 4.1488145 0.2486007 -0.2091021 0.4806896 4.4595254 0.3888057 0.1019825 0.3230491 5.3328814 19 Te 3.7346219 0.0000000 -1.5208775 -0.0000000 4.7399454 -0.0000000 -1.5702515 -0.0000000 4.1986379 20 Te 3.7346219 0.0000000 1.5208775 -0.0000000 4.7399454 -0.0000000 1.5702515 -0.0000000 4.1986379 21 O -2.7602557 -0.2612450 0.2092617 0.4189682 -1.7596657 -0.2624294 0.4197747 -0.1597785 -2.2899139 22 O -1.2311782 -0.2065080 0.3873634 -0.3204348 -3.3826757 0.2819330 0.5375129 0.7635237 -2.2782154 23 O -2.7602557 0.2612450 -0.2092617 -0.4189682 -1.7596657 -0.2624294 -0.4197747 -0.1597785 -2.2899139 24 O -2.7602557 -0.2612450 -0.2092617 0.4189682 -1.7596657 0.2624294 -0.4197747 0.1597785 -2.2899139 25 O -1.2311782 0.2065080 0.3873634 0.3204348 -3.3826757 -0.2819330 0.5375129 -0.7635237 -2.2782154 26 O -1.4413406 0.0251266 -0.2417371 -0.6119200 -2.5758078 -1.3622399 -0.7089211 -1.1620330 -2.8291599 27 O -3.0755028 0.0000000 -0.1967277 -0.0000000 -2.4468320 -0.0000000 -1.2144245 -0.0000000 -2.2514526 28 O -2.7602557 0.2612450 0.2092617 -0.4189682 -1.7596657 0.2624294 0.4197747 0.1597785 -2.2899139 29 O -2.7602557 0.2612450 0.2092617 -0.4189682 -1.7596657 0.2624294 0.4197747 0.1597785 -2.2899139 30 O -2.7602557 0.2612450 -0.2092617 -0.4189682 -1.7596657 -0.2624294 -0.4197747 -0.1597785 -2.2899139 31 O -2.2192718 -0.4964261 -0.7877232 -0.0304381 -1.8617266 -0.7276487 -0.1533385 -0.9473602 -2.3970578 32 O -2.2192718 -0.4964261 -0.7877232 -0.0304381 -1.8617266 -0.7276487 -0.1533385 -0.9473602 -2.3970578 33 O -1.4413406 0.0251266 0.2417371 -0.6119200 -2.5758078 1.3622399 0.7089211 1.1620330 -2.8291599 34 O -2.2192718 0.4964261 -0.7877232 0.0304381 -1.8617266 0.7276487 -0.1533385 0.9473602 -2.3970578 35 O -3.0755028 0.0000000 -0.1967277 -0.0000000 -2.4468320 -0.0000000 -1.2144245 -0.0000000 -2.2514526 36 O -2.7602557 -0.2612450 0.2092617 0.4189682 -1.7596657 -0.2624294 0.4197747 -0.1597785 -2.2899139 37 O -2.2192718 -0.4964261 0.7877232 -0.0304381 -1.8617266 0.7276487 0.1533385 0.9473602 -2.3970578 38 O -1.2311782 -0.2065080 0.3873634 -0.3204348 -3.3826757 0.2819330 0.5375129 0.7635237 -2.2782154 39 O -3.0755028 0.0000000 0.1967277 -0.0000000 -2.4468320 -0.0000000 1.2144245 -0.0000000 -2.2514526 40 O -1.2311782 0.2065080 0.3873634 0.3204348 -3.3826757 -0.2819330 0.5375129 -0.7635237 -2.2782154 41 O -1.2311782 -0.2065080 -0.3873634 -0.3204348 -3.3826757 -0.2819330 -0.5375129 -0.7635237 -2.2782154 42 O -2.2192718 0.4964261 0.7877232 0.0304381 -1.8617266 -0.7276487 0.1533385 -0.9473602 -2.3970578 43 O -1.2311782 -0.2065080 -0.3873634 -0.3204348 -3.3826757 -0.2819330 -0.5375129 -0.7635237 -2.2782154 44 O -1.4413406 -0.0251266 0.2417371 0.6119200 -2.5758078 -1.3622399 0.7089211 -1.1620330 -2.8291599 45 O -2.2192718 0.4964261 -0.7877232 0.0304381 -1.8617266 0.7276487 -0.1533385 0.9473602 -2.3970578 46 O -1.4413406 0.0251266 0.2417371 -0.6119200 -2.5758078 1.3622399 0.7089211 1.1620330 -2.8291599 47 O -2.7602557 -0.2612450 -0.2092617 0.4189682 -1.7596657 0.2624294 -0.4197747 0.1597785 -2.2899139 48 O -1.4413406 -0.0251266 -0.2417371 0.6119200 -2.5758078 1.3622399 -0.7089211 1.1620330 -2.8291599 49 O -1.4413406 0.0251266 -0.2417371 -0.6119200 -2.5758078 -1.3622399 -0.7089211 -1.1620330 -2.8291599 50 O -3.0755028 0.0000000 0.1967277 -0.0000000 -2.4468320 -0.0000000 1.2144245 -0.0000000 -2.2514526 51 O -1.2311782 0.2065080 -0.3873634 0.3204348 -3.3826757 0.2819330 -0.5375129 0.7635237 -2.2782154 52 O -1.4413406 -0.0251266 -0.2417371 0.6119200 -2.5758078 1.3622399 -0.7089211 1.1620330 -2.8291599 53 O -2.2192718 0.4964261 0.7877232 0.0304381 -1.8617266 -0.7276487 0.1533385 -0.9473602 -2.3970578 54 O -1.2311782 0.2065080 -0.3873634 0.3204348 -3.3826757 0.2819330 -0.5375129 0.7635237 -2.2782154 55 O -2.2192718 -0.4964261 0.7877232 -0.0304381 -1.8617266 0.7276487 0.1533385 0.9473602 -2.3970578 56 O -1.4413406 -0.0251266 0.2417371 0.6119200 -2.5758078 -1.3622399 0.7089211 -1.1620330 -2.8291599 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: 0.00000001 (zxz) 0.00000001 (zxz) 0.00000001 (zzx) Max drift of fc2: -0.00000000 (yy) -0.00000000 (yy) --------------------------- 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 ... [ 6 3 9 ] 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: 311, Lambda: 0.11 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/40) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 40 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 0.975 ( 0.000 0.000 0.000) 0.000 0.977 ( 0.000 0.000 0.000) 0.000 1.237 ( 0.000 0.000 0.000) 0.000 1.420 ( 0.000 0.000 0.000) 0.000 1.509 ( 0.000 0.000 0.000) 0.000 1.644 ( 0.000 0.000 0.000) 0.000 1.951 ( 0.000 0.000 0.000) 0.000 2.001 ( 0.000 0.000 0.000) 0.000 2.029 ( 0.000 0.000 0.000) 0.000 2.034 ( 0.000 0.000 0.000) 0.000 2.064 ( 0.000 0.000 0.000) 0.000 2.176 ( 0.000 0.000 0.000) 0.000 2.219 ( 0.000 0.000 0.000) 0.000 2.357 ( 0.000 0.000 0.000) 0.000 2.363 ( 0.000 0.000 0.000) 0.000 2.726 ( 0.000 0.000 0.000) 0.000 2.743 ( 0.000 0.000 0.000) 0.000 2.844 ( 0.000 0.000 0.000) 0.000 2.904 ( 0.000 0.000 0.000) 0.000 2.950 ( 0.000 0.000 0.000) 0.000 2.978 ( 0.000 0.000 0.000) 0.000 3.063 ( 0.000 0.000 0.000) 0.000 3.415 ( 0.000 0.000 0.000) 0.000 3.509 ( 0.000 0.000 0.000) 0.000 3.596 ( 0.000 0.000 0.000) 0.000 3.625 ( 0.000 0.000 0.000) 0.000 3.627 ( 0.000 0.000 0.000) 0.000 3.721 ( 0.000 0.000 0.000) 0.000 3.848 ( 0.000 0.000 0.000) 0.000 4.026 ( 0.000 0.000 0.000) 0.000 4.066 ( 0.000 0.000 0.000) 0.000 4.083 ( 0.000 0.000 0.000) 0.000 4.085 ( 0.000 0.000 0.000) 0.000 4.094 ( 0.000 0.000 0.000) 0.000 4.123 ( 0.000 0.000 0.000) 0.000 4.165 ( 0.000 0.000 0.000) 0.000 4.204 ( 0.000 0.000 0.000) 0.000 4.363 ( 0.000 0.000 0.000) 0.000 4.410 ( 0.000 0.000 0.000) 0.000 4.442 ( 0.000 0.000 0.000) 0.000 4.518 ( 0.000 0.000 0.000) 0.000 4.601 ( 0.000 0.000 0.000) 0.000 4.651 ( 0.000 0.000 0.000) 0.000 4.692 ( 0.000 0.000 0.000) 0.000 4.714 ( 0.000 0.000 0.000) 0.000 4.920 ( 0.000 0.000 0.000) 0.000 4.989 ( 0.000 0.000 0.000) 0.000 5.116 ( 0.000 0.000 0.000) 0.000 5.151 ( 0.000 0.000 0.000) 0.000 5.177 ( 0.000 0.000 0.000) 0.000 5.241 ( 0.000 0.000 0.000) 0.000 5.271 ( 0.000 0.000 0.000) 0.000 5.326 ( 0.000 0.000 0.000) 0.000 5.449 ( 0.000 0.000 0.000) 0.000 5.489 ( 0.000 0.000 0.000) 0.000 5.541 ( 0.000 0.000 0.000) 0.000 5.807 ( 0.000 0.000 0.000) 0.000 5.818 ( 0.000 0.000 0.000) 0.000 5.836 ( 0.000 0.000 0.000) 0.000 5.949 ( 0.000 0.000 0.000) 0.000 5.953 ( 0.000 0.000 0.000) 0.000 6.144 ( 0.000 0.000 0.000) 0.000 6.218 ( 0.000 0.000 0.000) 0.000 6.301 ( 0.000 0.000 0.000) 0.000 6.458 ( 0.000 0.000 0.000) 0.000 6.483 ( 0.000 0.000 0.000) 0.000 6.486 ( 0.000 0.000 0.000) 0.000 6.633 ( 0.000 0.000 0.000) 0.000 7.100 ( 0.000 0.000 0.000) 0.000 7.104 ( 0.000 0.000 0.000) 0.000 7.167 ( 0.000 0.000 0.000) 0.000 7.252 ( 0.000 0.000 0.000) 0.000 7.310 ( 0.000 0.000 0.000) 0.000 7.544 ( 0.000 0.000 0.000) 0.000 7.586 ( 0.000 0.000 0.000) 0.000 7.588 ( 0.000 0.000 0.000) 0.000 7.672 ( 0.000 0.000 0.000) 0.000 7.856 ( 0.000 0.000 0.000) 0.000 7.965 ( 0.000 0.000 0.000) 0.000 8.017 ( 0.000 0.000 0.000) 0.000 8.030 ( 0.000 0.000 0.000) 0.000 8.315 ( 0.000 0.000 0.000) 0.000 8.360 ( 0.000 0.000 0.000) 0.000 8.574 ( 0.000 0.000 0.000) 0.000 8.617 ( 0.000 0.000 0.000) 0.000 8.651 ( 0.000 0.000 0.000) 0.000 8.797 ( 0.000 0.000 0.000) 0.000 9.030 ( 0.000 0.000 0.000) 0.000 9.139 ( 0.000 0.000 0.000) 0.000 9.178 ( 0.000 0.000 0.000) 0.000 9.234 ( 0.000 0.000 0.000) 0.000 9.299 ( 0.000 0.000 0.000) 0.000 9.372 ( 0.000 0.000 0.000) 0.000 9.472 ( 0.000 0.000 0.000) 0.000 9.573 ( 0.000 0.000 0.000) 0.000 9.578 ( 0.000 0.000 0.000) 0.000 9.633 ( 0.000 0.000 0.000) 0.000 9.814 ( 0.000 0.000 0.000) 0.000 9.894 ( 0.000 0.000 0.000) 0.000 9.968 ( 0.000 0.000 0.000) 0.000 10.133 ( 0.000 0.000 0.000) 0.000 10.907 ( 0.000 0.000 0.000) 0.000 11.023 ( 0.000 0.000 0.000) 0.000 11.116 ( 0.000 0.000 0.000) 0.000 11.136 ( 0.000 0.000 0.000) 0.000 11.138 ( 0.000 0.000 0.000) 0.000 11.222 ( 0.000 0.000 0.000) 0.000 11.905 ( 0.000 0.000 0.000) 0.000 12.049 ( 0.000 0.000 0.000) 0.000 12.104 ( 0.000 0.000 0.000) 0.000 12.279 ( 0.000 0.000 0.000) 0.000 12.466 ( 0.000 0.000 0.000) 0.000 12.770 ( 0.000 0.000 0.000) 0.000 13.677 ( 0.000 0.000 0.000) 0.000 13.739 ( 0.000 0.000 0.000) 0.000 13.887 ( 0.000 0.000 0.000) 0.000 14.205 ( 0.000 0.000 0.000) 0.000 14.358 ( 0.000 0.000 0.000) 0.000 14.386 ( 0.000 0.000 0.000) 0.000 14.739 ( 0.000 0.000 0.000) 0.000 14.750 ( 0.000 0.000 0.000) 0.000 14.777 ( 0.000 0.000 0.000) 0.000 14.816 ( 0.000 0.000 0.000) 0.000 14.822 ( 0.000 0.000 0.000) 0.000 15.179 ( 0.000 0.000 0.000) 0.000 15.258 ( 0.000 0.000 0.000) 0.000 15.324 ( 0.000 0.000 0.000) 0.000 15.651 ( 0.000 0.000 0.000) 0.000 15.653 ( 0.000 0.000 0.000) 0.000 15.827 ( 0.000 0.000 0.000) 0.000 15.937 ( 0.000 0.000 0.000) 0.000 16.608 ( 0.000 0.000 0.000) 0.000 16.648 ( 0.000 0.000 0.000) 0.000 16.668 ( 0.000 0.000 0.000) 0.000 16.674 ( 0.000 0.000 0.000) 0.000 16.742 ( 0.000 0.000 0.000) 0.000 16.897 ( 0.000 0.000 0.000) 0.000 16.916 ( 0.000 0.000 0.000) 0.000 17.028 ( 0.000 0.000 0.000) 0.000 17.130 ( 0.000 0.000 0.000) 0.000 17.186 ( 0.000 0.000 0.000) 0.000 17.854 ( 0.000 0.000 0.000) 0.000 17.855 ( 0.000 0.000 0.000) 0.000 17.945 ( 0.000 0.000 0.000) 0.000 18.026 ( 0.000 0.000 0.000) 0.000 18.034 ( 0.000 0.000 0.000) 0.000 18.747 ( 0.000 0.000 0.000) 0.000 18.770 ( 0.000 0.000 0.000) 0.000 18.788 ( 0.000 0.000 0.000) 0.000 18.965 ( 0.000 0.000 0.000) 0.000 19.026 ( 0.000 0.000 0.000) 0.000 19.122 ( 0.000 0.000 0.000) 0.000 19.135 ( 0.000 0.000 0.000) 0.000 19.163 ( 0.000 0.000 0.000) 0.000 19.635 ( 0.000 0.000 0.000) 0.000 19.812 ( 0.000 0.000 0.000) 0.000 19.841 ( 0.000 0.000 0.000) 0.000 19.842 ( 0.000 0.000 0.000) 0.000 19.901 ( 0.000 0.000 0.000) 0.000 19.931 ( 0.000 0.000 0.000) 0.000 20.110 ( 0.000 0.000 0.000) 0.000 20.185 ( 0.000 0.000 0.000) 0.000 20.433 ( 0.000 0.000 0.000) 0.000 20.815 ( 0.000 0.000 0.000) 0.000 20.852 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/40) ======================= q-point: ( 0.17 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 30 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.321 ( 15.261 0.000 0.000) 15.261 0.322 ( 15.860 0.000 0.000) 15.860 0.578 ( 26.940 0.000 0.000) 26.940 0.970 ( -0.622 0.000 0.000) 0.622 0.986 ( 1.053 0.000 0.000) 1.053 1.290 ( 3.772 0.000 0.000) 3.772 1.439 ( -6.616 0.000 0.000) 6.616 1.460 ( 3.862 0.000 0.000) 3.862 1.709 ( 6.543 0.000 0.000) 6.543 1.874 ( -9.162 0.000 0.000) 9.162 1.890 ( -6.273 0.000 0.000) 6.273 1.895 ( -3.815 0.000 0.000) 3.815 2.068 ( -11.693 0.000 0.000) 11.693 2.096 ( 3.181 0.000 0.000) 3.181 2.140 ( 6.963 0.000 0.000) 6.963 2.316 ( 7.390 0.000 0.000) 7.390 2.334 ( -8.333 0.000 0.000) 8.333 2.372 ( -1.671 0.000 0.000) 1.671 2.629 ( -13.657 0.000 0.000) 13.657 2.683 ( -3.654 0.000 0.000) 3.654 2.780 ( 2.785 0.000 0.000) 2.785 2.906 ( 0.637 0.000 0.000) 0.637 2.954 ( 0.597 0.000 0.000) 0.597 3.045 ( -2.004 0.000 0.000) 2.004 3.051 ( -6.516 0.000 0.000) 6.516 3.342 ( -7.267 0.000 0.000) 7.267 3.500 ( -2.598 0.000 0.000) 2.598 3.572 ( -1.803 0.000 0.000) 1.803 3.581 ( -3.961 0.000 0.000) 3.961 3.624 ( -1.061 0.000 0.000) 1.061 3.764 ( 2.600 0.000 0.000) 2.600 3.852 ( -11.375 0.000 0.000) 11.375 3.890 ( 1.712 0.000 0.000) 1.712 3.951 ( -12.748 0.000 0.000) 12.748 4.000 ( -0.226 0.000 0.000) 0.226 4.040 ( -3.598 0.000 0.000) 3.598 4.101 ( -6.324 0.000 0.000) 6.324 4.143 ( -8.723 0.000 0.000) 8.723 4.145 ( 4.365 0.000 0.000) 4.365 4.229 ( 4.299 0.000 0.000) 4.299 4.269 ( 4.709 0.000 0.000) 4.709 4.395 ( -3.531 0.000 0.000) 3.531 4.423 ( -5.005 0.000 0.000) 5.005 4.484 ( -0.857 0.000 0.000) 0.857 4.600 ( -0.296 0.000 0.000) 0.296 4.665 ( -0.557 0.000 0.000) 0.557 4.709 ( 1.676 0.000 0.000) 1.676 4.711 ( -1.750 0.000 0.000) 1.750 4.913 ( -6.074 0.000 0.000) 6.074 4.934 ( 0.281 0.000 0.000) 0.281 5.116 ( -4.607 0.000 0.000) 4.607 5.146 ( 4.956 0.000 0.000) 4.956 5.304 ( 4.534 0.000 0.000) 4.534 5.345 ( 13.934 0.000 0.000) 13.934 5.383 ( 5.000 0.000 0.000) 5.000 5.417 ( -1.976 0.000 0.000) 1.976 5.518 ( 1.729 0.000 0.000) 1.729 5.522 ( 11.341 0.000 0.000) 11.341 5.742 ( 14.334 0.000 0.000) 14.334 5.744 ( -6.308 0.000 0.000) 6.308 5.853 ( 2.353 0.000 0.000) 2.353 5.862 ( 3.786 0.000 0.000) 3.786 5.910 ( -2.565 0.000 0.000) 2.565 5.970 ( 1.695 0.000 0.000) 1.695 6.117 ( -2.615 0.000 0.000) 2.615 6.210 ( -1.382 0.000 0.000) 1.382 6.242 ( -4.599 0.000 0.000) 4.599 6.480 ( 0.204 0.000 0.000) 0.204 6.504 ( 3.864 0.000 0.000) 3.864 6.548 ( 5.698 0.000 0.000) 5.698 6.661 ( 1.814 0.000 0.000) 1.814 7.070 ( -3.080 0.000 0.000) 3.080 7.093 ( -0.676 0.000 0.000) 0.676 7.102 ( -11.607 0.000 0.000) 11.607 7.157 ( -2.286 0.000 0.000) 2.286 7.211 ( -8.920 0.000 0.000) 8.920 7.449 ( -9.023 0.000 0.000) 9.023 7.507 ( -4.073 0.000 0.000) 4.073 7.666 ( -4.060 0.000 0.000) 4.060 7.743 ( 3.059 0.000 0.000) 3.059 7.825 ( -2.873 0.000 0.000) 2.873 7.884 ( -4.451 0.000 0.000) 4.451 8.066 ( 3.415 0.000 0.000) 3.415 8.120 ( 5.376 0.000 0.000) 5.376 8.311 ( -0.528 0.000 0.000) 0.528 8.364 ( 0.202 0.000 0.000) 0.202 8.539 ( -5.591 0.000 0.000) 5.591 8.670 ( 9.250 0.000 0.000) 9.250 8.788 ( -1.189 0.000 0.000) 1.189 8.850 ( 7.054 0.000 0.000) 7.054 9.057 ( 2.176 0.000 0.000) 2.176 9.110 ( 1.098 0.000 0.000) 1.098 9.165 ( 2.044 0.000 0.000) 2.044 9.423 ( 4.315 0.000 0.000) 4.315 9.427 ( 7.125 0.000 0.000) 7.125 9.440 ( -3.077 0.000 0.000) 3.077 9.555 ( -1.016 0.000 0.000) 1.016 9.570 ( -0.231 0.000 0.000) 0.231 9.715 ( 6.343 0.000 0.000) 6.343 9.775 ( 1.033 0.000 0.000) 1.033 9.843 ( 2.515 0.000 0.000) 2.515 9.998 ( 8.693 0.000 0.000) 8.693 10.040 ( 6.231 0.000 0.000) 6.231 10.104 ( -2.842 0.000 0.000) 2.842 10.979 ( 6.566 0.000 0.000) 6.566 11.102 ( 7.407 0.000 0.000) 7.407 11.150 ( 2.284 0.000 0.000) 2.284 11.168 ( 4.314 0.000 0.000) 4.314 11.191 ( 4.565 0.000 0.000) 4.565 11.844 ( -5.824 0.000 0.000) 5.824 11.912 ( -3.291 0.000 0.000) 3.291 11.989 ( -5.758 0.000 0.000) 5.758 12.114 ( 1.072 0.000 0.000) 1.072 12.293 ( 1.499 0.000 0.000) 1.499 12.443 ( -2.363 0.000 0.000) 2.363 12.832 ( -5.918 0.000 0.000) 5.918 13.682 ( 0.457 0.000 0.000) 0.457 13.741 ( 0.146 0.000 0.000) 0.146 13.900 ( 1.286 0.000 0.000) 1.286 14.169 ( -3.159 0.000 0.000) 3.159 14.311 ( -3.711 0.000 0.000) 3.711 14.363 ( -2.121 0.000 0.000) 2.121 14.729 ( -0.853 0.000 0.000) 0.853 14.783 ( 3.571 0.000 0.000) 3.571 14.809 ( -0.406 0.000 0.000) 0.406 14.819 ( 2.395 0.000 0.000) 2.395 14.825 ( 0.749 0.000 0.000) 0.749 15.159 ( -1.850 0.000 0.000) 1.850 15.195 ( -8.192 0.000 0.000) 8.192 15.320 ( 4.648 0.000 0.000) 4.648 15.608 ( -4.205 0.000 0.000) 4.205 15.628 ( -2.166 0.000 0.000) 2.166 16.020 ( 14.499 0.000 0.000) 14.499 16.540 ( 4.053 0.000 0.000) 4.053 16.617 ( 0.859 0.000 0.000) 0.859 16.670 ( 3.683 0.000 0.000) 3.683 16.742 ( 7.031 0.000 0.000) 7.031 16.840 ( 11.746 0.000 0.000) 11.746 16.859 ( -2.053 0.000 0.000) 2.053 16.981 ( 4.470 0.000 0.000) 4.470 17.063 ( 3.851 0.000 0.000) 3.851 17.119 ( -6.280 0.000 0.000) 6.280 17.160 ( 2.852 0.000 0.000) 2.852 17.723 ( -7.156 0.000 0.000) 7.156 17.901 ( -3.466 0.000 0.000) 3.466 17.954 ( 3.681 0.000 0.000) 3.681 17.986 ( -3.445 0.000 0.000) 3.445 18.041 ( 1.007 0.000 0.000) 1.007 18.404 ( 2.346 0.000 0.000) 2.346 18.681 ( -6.466 0.000 0.000) 6.466 18.685 ( -7.234 0.000 0.000) 7.234 18.932 ( -3.544 0.000 0.000) 3.544 18.955 ( -1.207 0.000 0.000) 1.207 18.991 ( -3.107 0.000 0.000) 3.107 19.102 ( 0.237 0.000 0.000) 0.237 19.105 ( -2.667 0.000 0.000) 2.667 19.291 ( 8.600 0.000 0.000) 8.600 19.442 ( -15.571 0.000 0.000) 15.571 19.653 ( -17.001 0.000 0.000) 17.001 19.831 ( -0.833 0.000 0.000) 0.833 19.856 ( -1.582 0.000 0.000) 1.582 19.916 ( 1.437 0.000 0.000) 1.437 20.048 ( -7.797 0.000 0.000) 7.797 20.177 ( 1.528 0.000 0.000) 1.528 20.522 ( 6.650 0.000 0.000) 6.650 20.717 ( -0.560 0.000 0.000) 0.560 20.798 ( -1.576 0.000 0.000) 1.576 20.832 ( -1.873 0.000 0.000) 1.873 ======================= Grid point 2 (3/40) ======================= q-point: ( 0.33 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 40 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.636 ( 15.144 0.000 0.000) 15.144 0.659 ( 16.411 0.000 0.000) 16.411 0.955 ( -0.646 0.000 0.000) 0.646 0.998 ( -0.400 0.000 0.000) 0.400 1.016 ( 11.069 0.000 0.000) 11.069 1.245 ( -11.667 0.000 0.000) 11.667 1.350 ( 2.523 0.000 0.000) 2.523 1.568 ( 5.052 0.000 0.000) 5.052 1.727 ( -4.445 0.000 0.000) 4.445 1.764 ( -5.012 0.000 0.000) 5.012 1.804 ( -11.355 0.000 0.000) 11.355 1.907 ( 7.984 0.000 0.000) 7.984 1.945 ( 16.083 0.000 0.000) 16.083 2.084 ( -12.034 0.000 0.000) 12.034 2.232 ( 7.574 0.000 0.000) 7.574 2.285 ( -5.441 0.000 0.000) 5.441 2.313 ( 9.442 0.000 0.000) 9.442 2.411 ( 0.741 0.000 0.000) 0.741 2.441 ( -3.084 0.000 0.000) 3.084 2.578 ( -7.239 0.000 0.000) 7.239 2.797 ( -4.258 0.000 0.000) 4.258 2.908 ( -4.379 0.000 0.000) 4.379 2.943 ( 2.852 0.000 0.000) 2.852 2.958 ( -8.142 0.000 0.000) 8.142 2.965 ( 0.304 0.000 0.000) 0.304 3.096 ( -14.950 0.000 0.000) 14.950 3.331 ( -9.003 0.000 0.000) 9.003 3.480 ( -6.094 0.000 0.000) 6.094 3.533 ( -1.879 0.000 0.000) 1.879 3.561 ( -4.190 0.000 0.000) 4.190 3.654 ( -12.107 0.000 0.000) 12.107 3.676 ( -5.858 0.000 0.000) 5.858 3.851 ( 4.910 0.000 0.000) 4.910 3.872 ( -1.299 0.000 0.000) 1.299 3.952 ( -5.078 0.000 0.000) 5.078 4.000 ( -0.310 0.000 0.000) 0.310 4.034 ( -3.304 0.000 0.000) 3.304 4.058 ( 2.711 0.000 0.000) 2.711 4.218 ( 2.470 0.000 0.000) 2.470 4.303 ( 2.766 0.000 0.000) 2.766 4.354 ( -2.680 0.000 0.000) 2.680 4.371 ( 2.696 0.000 0.000) 2.696 4.381 ( 6.086 0.000 0.000) 6.086 4.443 ( -2.435 0.000 0.000) 2.435 4.605 ( 1.240 0.000 0.000) 1.240 4.610 ( -7.130 0.000 0.000) 7.130 4.622 ( -3.361 0.000 0.000) 3.361 4.759 ( 3.006 0.000 0.000) 3.006 4.770 ( -7.092 0.000 0.000) 7.092 4.899 ( -3.099 0.000 0.000) 3.099 5.129 ( 5.745 0.000 0.000) 5.745 5.277 ( 5.923 0.000 0.000) 5.923 5.386 ( 2.739 0.000 0.000) 2.739 5.388 ( -0.691 0.000 0.000) 0.691 5.465 ( 1.826 0.000 0.000) 1.826 5.551 ( 1.913 0.000 0.000) 1.913 5.566 ( -9.787 0.000 0.000) 9.787 5.622 ( 10.745 0.000 0.000) 10.745 5.717 ( 6.669 0.000 0.000) 6.669 5.847 ( -3.076 0.000 0.000) 3.076 5.862 ( -2.190 0.000 0.000) 2.190 5.892 ( 5.708 0.000 0.000) 5.708 6.025 ( 3.223 0.000 0.000) 3.223 6.035 ( -5.249 0.000 0.000) 5.249 6.149 ( -4.159 0.000 0.000) 4.159 6.149 ( -4.145 0.000 0.000) 4.145 6.184 ( 20.856 0.000 0.000) 20.856 6.532 ( 4.804 0.000 0.000) 4.804 6.659 ( 9.655 0.000 0.000) 9.655 6.676 ( -0.799 0.000 0.000) 0.799 6.684 ( 6.477 0.000 0.000) 6.477 6.864 ( -7.033 0.000 0.000) 7.033 6.963 ( -14.658 0.000 0.000) 14.658 6.987 ( -4.787 0.000 0.000) 4.787 7.080 ( 0.067 0.000 0.000) 0.067 7.122 ( -1.200 0.000 0.000) 1.200 7.258 ( -8.716 0.000 0.000) 8.716 7.367 ( -9.167 0.000 0.000) 9.167 7.613 ( -0.534 0.000 0.000) 0.534 7.744 ( -4.690 0.000 0.000) 4.690 7.780 ( 0.726 0.000 0.000) 0.726 7.813 ( -2.210 0.000 0.000) 2.210 8.144 ( 4.129 0.000 0.000) 4.129 8.229 ( 4.955 0.000 0.000) 4.955 8.287 ( -1.964 0.000 0.000) 1.964 8.358 ( -0.976 0.000 0.000) 0.976 8.520 ( 3.128 0.000 0.000) 3.128 8.733 ( -4.193 0.000 0.000) 4.193 8.903 ( 11.412 0.000 0.000) 11.412 8.992 ( 6.252 0.000 0.000) 6.252 9.093 ( 0.656 0.000 0.000) 0.656 9.174 ( 4.135 0.000 0.000) 4.135 9.190 ( -0.467 0.000 0.000) 0.467 9.358 ( -4.463 0.000 0.000) 4.463 9.508 ( 1.778 0.000 0.000) 1.778 9.516 ( 3.873 0.000 0.000) 3.873 9.539 ( -0.559 0.000 0.000) 0.559 9.568 ( 0.075 0.000 0.000) 0.075 9.813 ( 2.812 0.000 0.000) 2.812 9.851 ( 5.700 0.000 0.000) 5.700 9.901 ( 2.528 0.000 0.000) 2.528 10.016 ( -5.416 0.000 0.000) 5.416 10.171 ( 6.517 0.000 0.000) 6.517 10.180 ( 5.884 0.000 0.000) 5.884 11.144 ( 8.066 0.000 0.000) 8.066 11.243 ( 7.000 0.000 0.000) 7.000 11.255 ( 3.076 0.000 0.000) 3.076 11.316 ( 12.672 0.000 0.000) 12.672 11.336 ( 9.413 0.000 0.000) 9.413 11.672 ( -10.417 0.000 0.000) 10.417 11.800 ( -7.728 0.000 0.000) 7.728 11.815 ( -10.680 0.000 0.000) 10.680 12.156 ( 3.179 0.000 0.000) 3.179 12.349 ( 4.197 0.000 0.000) 4.197 12.364 ( -5.150 0.000 0.000) 5.150 12.668 ( -9.323 0.000 0.000) 9.323 13.696 ( 0.944 0.000 0.000) 0.944 13.738 ( -0.549 0.000 0.000) 0.549 13.941 ( 2.656 0.000 0.000) 2.656 14.090 ( -4.068 0.000 0.000) 4.068 14.248 ( -1.643 0.000 0.000) 1.643 14.306 ( -3.055 0.000 0.000) 3.055 14.713 ( -0.413 0.000 0.000) 0.413 14.802 ( -3.998 0.000 0.000) 3.998 14.818 ( 1.037 0.000 0.000) 1.037 14.839 ( 0.474 0.000 0.000) 0.474 14.888 ( 5.960 0.000 0.000) 5.960 15.102 ( -3.680 0.000 0.000) 3.680 15.149 ( 4.504 0.000 0.000) 4.504 15.414 ( 4.181 0.000 0.000) 4.181 15.484 ( -7.623 0.000 0.000) 7.623 15.568 ( -3.368 0.000 0.000) 3.368 16.341 ( 15.713 0.000 0.000) 15.713 16.628 ( 3.585 0.000 0.000) 3.585 16.640 ( 1.163 0.000 0.000) 1.163 16.745 ( 2.674 0.000 0.000) 2.674 16.818 ( -1.859 0.000 0.000) 1.859 16.936 ( -11.078 0.000 0.000) 11.078 16.953 ( 13.043 0.000 0.000) 13.043 17.079 ( 10.433 0.000 0.000) 10.433 17.085 ( 5.244 0.000 0.000) 5.244 17.174 ( 4.517 0.000 0.000) 4.517 17.233 ( 3.236 0.000 0.000) 3.236 17.538 ( -11.279 0.000 0.000) 11.279 17.860 ( 1.100 0.000 0.000) 1.100 17.938 ( -0.518 0.000 0.000) 0.518 17.995 ( 0.076 0.000 0.000) 0.076 18.037 ( -2.108 0.000 0.000) 2.108 18.440 ( 1.085 0.000 0.000) 1.085 18.531 ( -5.079 0.000 0.000) 5.079 18.558 ( -5.137 0.000 0.000) 5.137 18.769 ( -11.932 0.000 0.000) 11.932 18.909 ( -2.935 0.000 0.000) 2.935 18.915 ( -3.600 0.000 0.000) 3.600 19.049 ( -1.549 0.000 0.000) 1.549 19.116 ( 0.729 0.000 0.000) 0.729 19.188 ( -6.256 0.000 0.000) 6.256 19.306 ( -14.565 0.000 0.000) 14.565 19.486 ( 9.888 0.000 0.000) 9.888 19.816 ( -0.494 0.000 0.000) 0.494 19.828 ( -1.118 0.000 0.000) 1.118 19.885 ( -8.468 0.000 0.000) 8.468 19.965 ( 3.399 0.000 0.000) 3.399 20.148 ( -3.661 0.000 0.000) 3.661 20.627 ( 3.833 0.000 0.000) 3.833 20.714 ( 0.414 0.000 0.000) 0.414 20.755 ( -2.496 0.000 0.000) 2.496 20.783 ( -2.590 0.000 0.000) 2.590 ======================= Grid point 3 (4/40) ======================= q-point: (-0.50 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 20 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.919 ( -7.847 0.000 0.000) 7.847 0.919 ( 7.848 0.000 0.000) 7.848 0.971 ( -11.992 0.000 0.000) 11.992 0.971 ( 11.992 0.000 0.000) 11.992 1.006 ( -5.899 0.000 0.000) 5.899 1.006 ( 5.899 0.000 0.000) 5.899 1.473 ( -9.607 0.000 0.000) 9.607 1.473 ( 9.607 0.000 0.000) 9.607 1.695 ( -1.194 0.000 0.000) 1.194 1.695 ( 1.194 0.000 0.000) 1.194 1.826 ( -9.702 0.000 0.000) 9.702 1.826 ( 9.702 0.000 0.000) 9.702 2.183 ( -6.690 0.000 0.000) 6.690 2.183 ( 6.690 0.000 0.000) 6.690 2.298 ( -13.259 0.000 0.000) 13.259 2.298 ( 13.259 0.000 0.000) 13.259 2.355 ( -11.576 0.000 0.000) 11.576 2.355 ( 11.576 0.000 0.000) 11.576 2.542 ( -14.180 0.000 0.000) 14.180 2.542 ( 14.180 0.000 0.000) 14.180 2.626 ( -17.605 0.000 0.000) 17.605 2.626 ( 17.605 0.000 0.000) 17.605 2.912 ( -4.226 0.000 0.000) 4.226 2.912 ( 4.226 0.000 0.000) 4.226 2.988 ( -0.089 0.000 0.000) 0.089 2.988 ( 0.089 0.000 0.000) 0.089 3.314 ( -6.497 0.000 0.000) 6.497 3.314 ( 6.497 0.000 0.000) 6.497 3.510 ( -0.278 0.000 0.000) 0.278 3.510 ( 0.278 0.000 0.000) 0.278 3.569 ( -2.597 0.000 0.000) 2.597 3.569 ( 2.597 0.000 0.000) 2.597 3.877 ( -1.935 0.000 0.000) 1.935 3.877 ( 1.935 0.000 0.000) 1.935 3.960 ( -4.513 0.000 0.000) 4.513 3.960 ( 4.513 0.000 0.000) 4.513 4.044 ( -3.036 0.000 0.000) 3.036 4.044 ( 3.036 0.000 0.000) 3.036 4.285 ( -3.867 0.000 0.000) 3.867 4.285 ( 3.867 0.000 0.000) 3.867 4.376 ( -4.175 0.000 0.000) 4.175 4.376 ( 4.175 0.000 0.000) 4.175 4.465 ( -5.749 0.000 0.000) 5.749 4.465 ( 5.749 0.000 0.000) 5.749 4.519 ( -6.552 0.000 0.000) 6.552 4.519 ( 6.552 0.000 0.000) 6.552 4.653 ( -3.626 0.000 0.000) 3.626 4.653 ( 3.626 0.000 0.000) 3.626 4.828 ( -3.501 0.000 0.000) 3.501 4.828 ( 3.501 0.000 0.000) 3.501 5.310 ( -10.062 0.000 0.000) 10.062 5.310 ( 10.062 0.000 0.000) 10.062 5.364 ( -2.404 0.000 0.000) 2.404 5.364 ( 2.404 0.000 0.000) 2.404 5.466 ( -0.731 0.000 0.000) 0.731 5.466 ( 0.731 0.000 0.000) 0.731 5.636 ( -6.237 0.000 0.000) 6.237 5.636 ( 6.237 0.000 0.000) 6.237 5.810 ( -3.045 0.000 0.000) 3.045 5.810 ( 3.045 0.000 0.000) 3.045 5.901 ( -7.375 0.000 0.000) 7.375 5.901 ( 7.375 0.000 0.000) 7.375 6.030 ( -6.760 0.000 0.000) 6.760 6.030 ( 6.760 0.000 0.000) 6.760 6.085 ( -2.657 0.000 0.000) 2.657 6.085 ( 2.657 0.000 0.000) 2.657 6.607 ( -19.053 0.000 0.000) 19.053 6.607 ( 19.053 0.000 0.000) 19.053 6.626 ( -3.647 0.000 0.000) 3.647 6.626 ( 3.647 0.000 0.000) 3.647 6.777 ( -0.388 0.000 0.000) 0.388 6.777 ( 0.388 0.000 0.000) 0.388 6.873 ( -5.562 0.000 0.000) 5.562 6.873 ( 5.562 0.000 0.000) 5.562 7.130 ( -2.861 0.000 0.000) 2.861 7.130 ( 2.861 0.000 0.000) 2.861 7.162 ( -8.739 0.000 0.000) 8.739 7.162 ( 8.739 0.000 0.000) 8.739 7.649 ( -3.763 0.000 0.000) 3.763 7.649 ( 3.763 0.000 0.000) 3.763 7.788 ( -0.471 0.000 0.000) 0.471 7.788 ( 0.471 0.000 0.000) 0.471 8.228 ( -3.622 0.000 0.000) 3.622 8.228 ( 3.622 0.000 0.000) 3.622 8.316 ( -3.215 0.000 0.000) 3.215 8.316 ( 3.215 0.000 0.000) 3.215 8.623 ( -5.893 0.000 0.000) 5.893 8.623 ( 5.893 0.000 0.000) 5.893 9.066 ( -3.644 0.000 0.000) 3.644 9.066 ( 3.644 0.000 0.000) 3.644 9.122 ( -6.018 0.000 0.000) 6.018 9.122 ( 6.018 0.000 0.000) 6.018 9.265 ( -4.485 0.000 0.000) 4.485 9.265 ( 4.485 0.000 0.000) 4.485 9.529 ( -0.572 0.000 0.000) 0.572 9.529 ( 0.572 0.000 0.000) 0.572 9.565 ( -0.852 0.000 0.000) 0.852 9.565 ( 0.852 0.000 0.000) 0.852 9.899 ( -5.348 0.000 0.000) 5.348 9.899 ( 5.348 0.000 0.000) 5.348 9.922 ( -0.994 0.000 0.000) 0.994 9.922 ( 0.994 0.000 0.000) 0.994 10.243 ( -0.213 0.000 0.000) 0.213 10.243 ( 0.213 0.000 0.000) 0.213 11.263 ( -2.742 0.000 0.000) 2.742 11.263 ( 2.742 0.000 0.000) 2.742 11.438 ( -11.210 0.000 0.000) 11.210 11.438 ( 11.210 0.000 0.000) 11.210 11.568 ( -12.356 0.000 0.000) 12.356 11.568 ( 12.356 0.000 0.000) 12.356 11.588 ( -12.445 0.000 0.000) 12.445 11.588 ( 12.445 0.000 0.000) 12.445 12.248 ( -5.460 0.000 0.000) 5.460 12.248 ( 5.460 0.000 0.000) 5.460 12.478 ( -8.171 0.000 0.000) 8.171 12.478 ( 8.171 0.000 0.000) 8.171 13.719 ( -1.156 0.000 0.000) 1.156 13.719 ( 1.156 0.000 0.000) 1.156 14.008 ( -3.739 0.000 0.000) 3.739 14.008 ( 3.739 0.000 0.000) 3.739 14.251 ( -1.802 0.000 0.000) 1.802 14.251 ( 1.802 0.000 0.000) 1.802 14.728 ( -2.223 0.000 0.000) 2.223 14.728 ( 2.223 0.000 0.000) 2.223 14.838 ( -0.641 0.000 0.000) 0.641 14.838 ( 0.641 0.000 0.000) 0.641 15.008 ( -5.325 0.000 0.000) 5.325 15.008 ( 5.325 0.000 0.000) 5.325 15.306 ( -8.984 0.000 0.000) 8.984 15.306 ( 8.984 0.000 0.000) 8.984 15.494 ( -3.696 0.000 0.000) 3.696 15.494 ( 3.696 0.000 0.000) 3.696 16.630 ( -7.039 0.000 0.000) 7.039 16.630 ( 7.039 0.000 0.000) 7.039 16.694 ( -7.577 0.000 0.000) 7.577 16.694 ( 7.577 0.000 0.000) 7.577 16.784 ( -1.481 0.000 0.000) 1.481 16.784 ( 1.481 0.000 0.000) 1.481 17.179 ( -3.082 0.000 0.000) 3.082 17.179 ( 3.082 0.000 0.000) 3.082 17.240 ( -3.660 0.000 0.000) 3.660 17.240 ( 3.660 0.000 0.000) 3.660 17.256 ( -15.173 0.000 0.000) 15.173 17.256 ( 15.173 0.000 0.000) 15.173 17.948 ( -5.746 0.000 0.000) 5.746 17.948 ( 5.746 0.000 0.000) 5.746 17.964 ( -2.373 0.000 0.000) 2.373 17.964 ( 2.373 0.000 0.000) 2.373 18.464 ( -1.895 0.000 0.000) 1.895 18.464 ( 1.895 0.000 0.000) 1.895 18.557 ( -6.060 0.000 0.000) 6.060 18.557 ( 6.060 0.000 0.000) 6.060 18.869 ( -0.099 0.000 0.000) 0.099 18.869 ( 0.099 0.000 0.000) 0.099 19.090 ( -6.060 0.000 0.000) 6.060 19.090 ( 6.060 0.000 0.000) 6.060 19.131 ( -0.961 0.000 0.000) 0.961 19.131 ( 0.961 0.000 0.000) 0.961 19.693 ( -9.881 0.000 0.000) 9.881 19.693 ( 9.881 0.000 0.000) 9.881 19.813 ( -0.261 0.000 0.000) 0.261 19.813 ( 0.261 0.000 0.000) 0.261 20.054 ( -4.864 0.000 0.000) 4.864 20.054 ( 4.864 0.000 0.000) 4.864 20.697 ( -3.069 0.000 0.000) 3.069 20.697 ( 3.069 0.000 0.000) 3.069 20.736 ( -1.731 0.000 0.000) 1.731 20.736 ( 1.731 0.000 0.000) 1.731 ======================= Grid point 7 (5/40) ======================= q-point: ( 0.00 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 40 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.358 ( 0.000 19.718 0.000) 19.718 0.404 ( 0.000 21.753 0.000) 21.753 0.713 ( 0.000 -17.340 0.000) 17.340 0.775 ( 0.000 -17.980 0.000) 17.980 0.909 ( 0.000 45.287 0.000) 45.287 1.489 ( 0.000 15.789 0.000) 15.789 1.533 ( 0.000 7.773 0.000) 7.773 1.578 ( 0.000 3.940 0.000) 3.940 1.627 ( 0.000 -9.127 0.000) 9.127 1.711 ( 0.000 -28.409 0.000) 28.409 1.863 ( 0.000 -3.107 0.000) 3.107 1.925 ( 0.000 -9.183 0.000) 9.183 2.038 ( 0.000 3.155 0.000) 3.155 2.133 ( 0.000 8.488 0.000) 8.488 2.154 ( 0.000 -2.491 0.000) 2.491 2.197 ( 0.000 -1.536 0.000) 1.536 2.256 ( 0.000 -11.817 0.000) 11.817 2.271 ( 0.000 -6.362 0.000) 6.362 2.635 ( 0.000 2.013 0.000) 2.013 2.712 ( 0.000 -3.664 0.000) 3.664 2.818 ( 0.000 -0.443 0.000) 0.443 2.833 ( 0.000 -1.102 0.000) 1.102 3.126 ( 0.000 6.281 0.000) 6.281 3.204 ( 0.000 12.413 0.000) 12.413 3.279 ( 0.000 17.399 0.000) 17.399 3.294 ( 0.000 -3.490 0.000) 3.490 3.506 ( 0.000 -11.741 0.000) 11.741 3.519 ( 0.000 -8.636 0.000) 8.636 3.630 ( 0.000 7.076 0.000) 7.076 3.700 ( 0.000 6.833 0.000) 6.833 3.715 ( 0.000 -2.046 0.000) 2.046 3.811 ( 0.000 -4.242 0.000) 4.242 4.038 ( 0.000 1.739 0.000) 1.739 4.067 ( 0.000 0.121 0.000) 0.121 4.073 ( 0.000 -0.593 0.000) 0.593 4.096 ( 0.000 0.336 0.000) 0.336 4.103 ( 0.000 -1.622 0.000) 1.622 4.112 ( 0.000 -5.093 0.000) 5.093 4.160 ( 0.000 3.255 0.000) 3.255 4.189 ( 0.000 1.369 0.000) 1.369 4.374 ( 0.000 -3.095 0.000) 3.095 4.417 ( 0.000 0.740 0.000) 0.740 4.425 ( 0.000 -6.880 0.000) 6.880 4.432 ( 0.000 -0.360 0.000) 0.360 4.704 ( 0.000 9.410 0.000) 9.410 4.714 ( 0.000 3.694 0.000) 3.694 4.732 ( 0.000 1.756 0.000) 1.756 4.862 ( 0.000 -6.402 0.000) 6.402 4.995 ( 0.000 0.983 0.000) 0.983 5.045 ( 0.000 -4.976 0.000) 4.976 5.085 ( 0.000 9.976 0.000) 9.976 5.249 ( 0.000 -1.721 0.000) 1.721 5.264 ( 0.000 2.322 0.000) 2.322 5.275 ( 0.000 0.224 0.000) 0.224 5.374 ( 0.000 5.807 0.000) 5.807 5.374 ( 0.000 -7.828 0.000) 7.828 5.388 ( 0.000 -4.788 0.000) 4.788 5.489 ( 0.000 -5.358 0.000) 5.358 5.824 ( 0.000 0.926 0.000) 0.926 5.840 ( 0.000 -0.665 0.000) 0.665 5.890 ( 0.000 7.221 0.000) 7.221 5.902 ( 0.000 6.182 0.000) 6.182 5.982 ( 0.000 3.752 0.000) 3.752 6.020 ( 0.000 -7.345 0.000) 7.345 6.026 ( 0.000 -6.271 0.000) 6.271 6.094 ( 0.000 -7.729 0.000) 7.729 6.475 ( 0.000 1.701 0.000) 1.701 6.494 ( 0.000 7.801 0.000) 7.801 6.512 ( 0.000 -1.995 0.000) 1.995 6.596 ( 0.000 -3.886 0.000) 3.886 6.645 ( 0.000 17.204 0.000) 17.204 6.957 ( 0.000 -14.414 0.000) 14.414 7.140 ( 0.000 3.919 0.000) 3.919 7.216 ( 0.000 -3.658 0.000) 3.658 7.382 ( 0.000 6.371 0.000) 6.371 7.498 ( 0.000 -5.213 0.000) 5.213 7.524 ( 0.000 2.041 0.000) 2.041 7.566 ( 0.000 -2.138 0.000) 2.138 7.582 ( 0.000 0.416 0.000) 0.416 7.613 ( 0.000 -3.242 0.000) 3.242 7.969 ( 0.000 8.983 0.000) 8.983 8.025 ( 0.000 0.606 0.000) 0.606 8.031 ( 0.000 -0.002 0.000) 0.002 8.141 ( 0.000 -9.917 0.000) 9.917 8.549 ( 0.000 11.036 0.000) 11.036 8.578 ( 0.000 0.683 0.000) 0.683 8.600 ( 0.000 -1.487 0.000) 1.487 8.662 ( 0.000 0.830 0.000) 0.830 8.669 ( 0.000 0.120 0.000) 0.120 8.722 ( 0.000 -7.442 0.000) 7.442 9.065 ( 0.000 3.053 0.000) 3.053 9.117 ( 0.000 -2.242 0.000) 2.242 9.156 ( 0.000 -0.142 0.000) 0.142 9.197 ( 0.000 -4.061 0.000) 4.061 9.362 ( 0.000 4.174 0.000) 4.174 9.397 ( 0.000 0.607 0.000) 0.607 9.488 ( 0.000 1.632 0.000) 1.632 9.528 ( 0.000 -2.636 0.000) 2.636 9.611 ( 0.000 1.500 0.000) 1.500 9.629 ( 0.000 -0.503 0.000) 0.503 9.826 ( 0.000 1.406 0.000) 1.406 9.866 ( 0.000 -2.593 0.000) 2.593 10.003 ( 0.000 3.700 0.000) 3.700 10.086 ( 0.000 -4.514 0.000) 4.514 10.932 ( 0.000 2.604 0.000) 2.604 10.989 ( 0.000 -3.123 0.000) 3.123 11.142 ( 0.000 0.462 0.000) 0.462 11.143 ( 0.000 2.650 0.000) 2.650 11.145 ( 0.000 0.282 0.000) 0.282 11.196 ( 0.000 -2.603 0.000) 2.603 11.937 ( 0.000 3.377 0.000) 3.377 12.016 ( 0.000 -4.712 0.000) 4.712 12.148 ( 0.000 4.305 0.000) 4.305 12.234 ( 0.000 -4.366 0.000) 4.366 12.555 ( 0.000 8.098 0.000) 8.098 12.703 ( 0.000 -6.827 0.000) 6.827 13.707 ( 0.000 3.411 0.000) 3.411 13.802 ( 0.000 -6.572 0.000) 6.572 14.243 ( 0.000 3.859 0.000) 3.859 14.322 ( 0.000 -3.883 0.000) 3.883 14.509 ( 0.000 10.328 0.000) 10.328 14.676 ( 0.000 -6.817 0.000) 6.817 14.704 ( 0.000 -1.181 0.000) 1.181 14.725 ( 0.000 -2.219 0.000) 2.219 14.902 ( 0.000 8.671 0.000) 8.671 14.987 ( 0.000 10.789 0.000) 10.789 15.082 ( 0.000 -9.321 0.000) 9.321 15.167 ( 0.000 -8.048 0.000) 8.048 15.310 ( 0.000 0.542 0.000) 0.542 15.320 ( 0.000 -0.446 0.000) 0.446 15.661 ( 0.000 0.631 0.000) 0.631 15.662 ( 0.000 0.623 0.000) 0.623 15.863 ( 0.000 3.197 0.000) 3.197 15.916 ( 0.000 -2.224 0.000) 2.224 16.650 ( 0.000 4.890 0.000) 4.890 16.671 ( 0.000 0.245 0.000) 0.245 16.674 ( 0.000 -0.075 0.000) 0.075 16.710 ( 0.000 0.769 0.000) 0.769 16.730 ( 0.000 -1.170 0.000) 1.170 16.792 ( 0.000 -10.131 0.000) 10.131 16.923 ( 0.000 2.711 0.000) 2.711 16.990 ( 0.000 -4.795 0.000) 4.795 17.464 ( 0.000 16.752 0.000) 16.752 17.732 ( 0.000 -11.861 0.000) 11.861 17.911 ( 0.000 5.263 0.000) 5.263 17.967 ( 0.000 2.216 0.000) 2.216 18.001 ( 0.000 -3.481 0.000) 3.481 18.012 ( 0.000 -2.187 0.000) 2.187 18.754 ( 0.000 0.837 0.000) 0.837 18.770 ( 0.000 -0.009 0.000) 0.009 18.770 ( 0.000 -0.026 0.000) 0.026 18.775 ( 0.000 -1.191 0.000) 1.191 19.051 ( 0.000 2.472 0.000) 2.472 19.099 ( 0.000 -2.330 0.000) 2.330 19.139 ( 0.000 0.536 0.000) 0.536 19.153 ( 0.000 -0.866 0.000) 0.866 19.667 ( 0.000 3.344 0.000) 3.344 19.744 ( 0.000 -4.698 0.000) 4.698 19.847 ( 0.000 1.162 0.000) 1.162 19.861 ( 0.000 1.703 0.000) 1.703 19.862 ( 0.000 0.056 0.000) 0.056 19.890 ( 0.000 -1.213 0.000) 1.213 20.128 ( 0.000 1.875 0.000) 1.875 20.166 ( 0.000 -1.872 0.000) 1.872 20.449 ( 0.000 1.527 0.000) 1.527 20.478 ( 0.000 -1.299 0.000) 1.299 20.825 ( 0.000 0.936 0.000) 0.936 20.843 ( 0.000 -0.909 0.000) 0.909 ======================= Grid point 8 (6/40) ======================= q-point: ( 0.17 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 45 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.506 ( 8.976 16.136 0.000) 18.465 0.558 ( 14.295 12.609 0.000) 19.062 0.802 ( 7.541 -12.150 0.000) 14.300 0.807 ( 2.940 -15.004 0.000) 15.290 1.018 ( 9.987 37.505 0.000) 38.812 1.464 ( -2.841 10.724 0.000) 11.094 1.527 ( -2.011 6.852 0.000) 7.141 1.550 ( -0.740 5.671 0.000) 5.719 1.696 ( 4.969 -6.488 0.000) 8.172 1.757 ( 4.609 -20.195 0.000) 20.714 1.831 ( -0.983 -8.169 0.000) 8.228 1.863 ( -10.753 1.285 0.000) 10.830 1.898 ( -1.216 -5.892 0.000) 6.016 1.988 ( -12.341 -8.558 0.000) 15.018 2.136 ( 0.869 3.599 0.000) 3.703 2.232 ( -3.633 -5.787 0.000) 6.833 2.277 ( 3.611 -0.466 0.000) 3.641 2.344 ( 2.568 -6.809 0.000) 7.277 2.619 ( -0.832 3.855 0.000) 3.943 2.649 ( -11.022 4.035 0.000) 11.737 2.729 ( 1.241 -5.435 0.000) 5.575 2.756 ( -6.630 -7.735 0.000) 10.188 3.073 ( -4.251 7.382 0.000) 8.518 3.211 ( -1.980 -0.774 0.000) 2.126 3.252 ( -2.524 8.714 0.000) 9.072 3.276 ( -0.392 15.418 0.000) 15.423 3.487 ( -1.967 -7.546 0.000) 7.798 3.500 ( -1.154 -9.935 0.000) 10.002 3.634 ( -1.698 6.901 0.000) 7.107 3.670 ( -3.503 7.080 0.000) 7.899 3.739 ( -0.614 -3.641 0.000) 3.692 3.802 ( -3.306 -6.650 0.000) 7.426 3.898 ( -8.932 5.215 0.000) 10.343 3.996 ( -1.131 0.430 0.000) 1.210 4.012 ( -6.568 -6.474 0.000) 9.222 4.039 ( -3.261 -4.151 0.000) 5.279 4.061 ( -5.280 6.392 0.000) 8.291 4.071 ( -3.908 3.646 0.000) 5.345 4.182 ( 0.607 -6.551 0.000) 6.579 4.193 ( -3.709 -9.251 0.000) 9.967 4.303 ( -2.793 7.020 0.000) 7.555 4.354 ( 1.615 7.800 0.000) 7.966 4.413 ( -1.293 -5.185 0.000) 5.344 4.493 ( 2.951 -4.908 0.000) 5.727 4.659 ( -3.617 4.924 0.000) 6.110 4.693 ( -1.138 8.529 0.000) 8.604 4.729 ( -0.629 -0.930 0.000) 1.123 4.831 ( -2.285 -5.535 0.000) 5.988 5.011 ( -5.671 10.323 0.000) 11.778 5.040 ( -0.978 5.658 0.000) 5.742 5.104 ( 5.373 -2.589 0.000) 5.964 5.243 ( -2.542 -11.959 0.000) 12.226 5.277 ( -0.821 5.183 0.000) 5.247 5.316 ( 9.210 -1.402 0.000) 9.316 5.367 ( 2.352 2.007 0.000) 3.092 5.448 ( 2.867 -5.496 0.000) 6.199 5.536 ( 4.886 11.468 0.000) 12.465 5.611 ( -0.892 7.739 0.000) 7.791 5.705 ( 10.643 -1.489 0.000) 10.747 5.798 ( -3.951 -4.430 0.000) 5.936 5.811 ( -6.333 5.474 0.000) 8.371 5.895 ( -5.385 -2.845 0.000) 6.090 5.921 ( 3.775 4.146 0.000) 5.607 5.975 ( 2.418 -0.838 0.000) 2.559 6.053 ( 0.903 -0.154 0.000) 0.916 6.114 ( 0.318 -4.901 0.000) 4.911 6.485 ( 1.411 0.518 0.000) 1.503 6.488 ( -1.824 11.690 0.000) 11.831 6.497 ( 2.580 -0.687 0.000) 2.670 6.590 ( 1.004 0.268 0.000) 1.039 6.672 ( 1.839 7.208 0.000) 7.439 6.922 ( -3.291 -13.802 0.000) 14.189 7.059 ( -5.755 0.459 0.000) 5.773 7.089 ( -10.861 -1.942 0.000) 11.033 7.286 ( -8.213 5.907 0.000) 10.116 7.337 ( -6.501 12.439 0.000) 14.035 7.389 ( -8.611 -4.990 0.000) 9.953 7.537 ( -4.404 -9.659 0.000) 10.615 7.545 ( -3.244 3.303 0.000) 4.630 7.632 ( -0.757 -6.295 0.000) 6.340 7.968 ( -0.145 9.592 0.000) 9.593 8.006 ( -4.734 5.285 0.000) 7.095 8.057 ( 0.945 -1.346 0.000) 1.645 8.144 ( 0.094 -9.824 0.000) 9.825 8.221 ( -1.550 11.497 0.000) 11.601 8.434 ( -6.098 -9.889 0.000) 11.618 8.544 ( -0.652 10.734 0.000) 10.754 8.714 ( -1.072 -7.391 0.000) 7.468 8.723 ( 8.404 4.346 0.000) 9.461 8.805 ( 7.887 -4.180 0.000) 8.926 9.091 ( 1.973 2.919 0.000) 3.523 9.142 ( 1.959 -2.322 0.000) 3.038 9.194 ( 2.454 7.955 0.000) 8.325 9.350 ( 5.488 -7.784 0.000) 9.524 9.461 ( -2.474 2.188 0.000) 3.303 9.462 ( 5.324 4.369 0.000) 6.887 9.511 ( -1.242 -2.976 0.000) 3.225 9.589 ( 6.068 -9.959 0.000) 11.662 9.626 ( 1.104 4.010 0.000) 4.159 9.691 ( 4.638 -2.638 0.000) 5.336 9.934 ( 6.022 3.551 0.000) 6.991 9.981 ( 8.537 -1.806 0.000) 8.726 10.049 ( 4.206 1.062 0.000) 4.338 10.080 ( -0.427 -2.115 0.000) 2.158 11.003 ( 6.429 2.479 0.000) 6.891 11.059 ( 6.350 -3.338 0.000) 7.174 11.173 ( 3.639 1.376 0.000) 3.891 11.189 ( 4.272 -0.381 0.000) 4.289 11.235 ( 6.847 7.575 0.000) 10.211 11.480 ( 12.846 -21.463 0.000) 25.014 11.882 ( -5.252 3.117 0.000) 6.107 11.955 ( -5.771 -4.283 0.000) 7.187 12.158 ( 1.136 4.393 0.000) 4.538 12.248 ( 1.361 -4.501 0.000) 4.702 12.529 ( -2.718 8.204 0.000) 8.643 12.690 ( -2.335 -8.641 0.000) 8.951 13.714 ( 0.698 3.619 0.000) 3.686 13.813 ( 1.062 -6.747 0.000) 6.830 14.147 ( -10.526 6.717 0.000) 12.486 14.224 ( -8.651 -1.523 0.000) 8.785 14.490 ( -1.714 10.656 0.000) 10.792 14.559 ( -18.798 29.116 0.000) 34.657 14.663 ( -1.138 -7.097 0.000) 7.188 14.736 ( 2.583 -1.711 0.000) 3.098 14.775 ( 2.145 0.028 0.000) 2.145 14.888 ( -8.966 -1.896 0.000) 9.165 14.906 ( 0.295 8.136 0.000) 8.141 15.072 ( -0.968 -8.481 0.000) 8.536 15.184 ( -3.434 0.828 0.000) 3.532 15.261 ( 3.509 -5.550 0.000) 6.566 15.620 ( -3.803 1.097 0.000) 3.958 15.633 ( -2.803 0.002 0.000) 2.803 16.111 ( 15.501 9.493 0.000) 18.177 16.342 ( 13.578 -14.933 0.000) 20.183 16.652 ( 0.187 4.128 0.000) 4.132 16.708 ( 4.497 1.914 0.000) 4.888 16.733 ( 6.309 -0.911 0.000) 6.374 16.774 ( -1.530 -8.455 0.000) 8.592 16.863 ( 12.034 2.423 0.000) 12.275 16.938 ( 12.588 -6.546 0.000) 14.188 16.953 ( 2.102 0.516 0.000) 2.164 16.997 ( 0.714 -3.688 0.000) 3.757 17.431 ( -2.717 15.783 0.000) 16.015 17.664 ( -5.530 -8.306 0.000) 9.978 17.918 ( -3.675 2.171 0.000) 4.269 17.954 ( 2.791 2.282 0.000) 3.605 17.963 ( -3.626 -2.264 0.000) 4.275 18.019 ( 1.213 -3.024 0.000) 3.259 18.643 ( -6.981 12.451 0.000) 14.274 18.681 ( -6.572 0.081 0.000) 6.572 18.684 ( -6.887 -0.125 0.000) 6.888 18.799 ( -1.613 -6.653 0.000) 6.846 19.006 ( -3.492 1.611 0.000) 3.845 19.047 ( -3.325 -2.811 0.000) 4.354 19.173 ( 2.581 4.263 0.000) 4.984 19.221 ( -20.199 16.147 0.000) 25.860 19.251 ( 6.562 -3.851 0.000) 7.609 19.411 ( -20.432 -4.696 0.000) 20.965 19.675 ( -12.026 3.011 0.000) 12.398 19.772 ( -4.658 -6.768 0.000) 8.216 19.858 ( 0.014 2.487 0.000) 2.487 19.900 ( 1.068 -1.727 0.000) 2.031 20.084 ( -3.855 2.983 0.000) 4.875 20.143 ( 0.158 -3.161 0.000) 3.165 20.561 ( 6.011 3.853 0.000) 7.140 20.648 ( 3.953 -5.388 0.000) 6.683 20.807 ( -1.656 0.850 0.000) 1.862 20.824 ( -1.804 -0.832 0.000) 1.987 ======================= Grid point 9 (7/40) ======================= q-point: ( 0.33 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 50 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.735 ( 12.145 7.624 0.000) 14.340 0.821 ( 10.479 11.148 0.000) 15.300 0.885 ( 4.256 -7.182 0.000) 8.348 0.956 ( 5.284 -4.129 0.000) 6.706 1.218 ( 4.524 19.579 0.000) 20.094 1.387 ( -2.591 2.737 0.000) 3.769 1.414 ( -8.360 15.590 0.000) 17.690 1.593 ( 3.657 1.749 0.000) 4.054 1.680 ( -5.571 -4.481 0.000) 7.150 1.701 ( -2.071 -3.425 0.000) 4.002 1.716 ( -12.307 -9.128 0.000) 15.322 1.885 ( -1.494 -18.588 0.000) 18.648 1.947 ( 11.928 2.292 0.000) 12.146 1.970 ( 15.138 -1.869 0.000) 15.253 2.140 ( 1.087 -0.990 0.000) 1.470 2.204 ( 1.729 -7.481 0.000) 7.678 2.261 ( -4.083 -0.147 0.000) 4.085 2.334 ( -3.372 -7.787 0.000) 8.485 2.533 ( 2.318 6.644 0.000) 7.037 2.604 ( -2.856 5.556 0.000) 6.248 2.668 ( 0.217 -9.291 0.000) 9.293 2.719 ( -4.382 -6.077 0.000) 7.492 2.934 ( -10.168 3.845 0.000) 10.870 3.022 ( -14.463 -4.931 0.000) 15.280 3.249 ( 0.471 15.390 0.000) 15.398 3.265 ( -0.488 15.304 0.000) 15.312 3.414 ( -7.571 4.377 0.000) 8.745 3.448 ( -2.044 -5.483 0.000) 5.852 3.507 ( -4.406 -4.158 0.000) 6.058 3.557 ( -6.313 4.174 0.000) 7.568 3.595 ( -8.207 -7.059 0.000) 10.825 3.637 ( -10.194 -3.161 0.000) 10.673 3.882 ( 1.181 3.321 0.000) 3.525 3.902 ( -4.418 4.919 0.000) 6.611 3.959 ( 1.020 -3.881 0.000) 4.013 3.998 ( -1.247 4.635 0.000) 4.800 4.012 ( -0.396 -4.077 0.000) 4.096 4.043 ( 1.334 1.412 0.000) 1.943 4.138 ( -0.522 -10.738 0.000) 10.751 4.149 ( -1.329 -10.383 0.000) 10.468 4.333 ( 3.067 5.472 0.000) 6.272 4.390 ( 1.494 7.760 0.000) 7.902 4.429 ( 2.613 -3.890 0.000) 4.686 4.535 ( 0.983 -4.486 0.000) 4.592 4.592 ( -2.454 8.076 0.000) 8.440 4.657 ( -2.326 7.403 0.000) 7.759 4.730 ( 0.961 -4.256 0.000) 4.363 4.776 ( -2.625 -3.018 0.000) 4.000 4.889 ( -5.103 12.629 0.000) 13.621 4.982 ( -5.486 13.918 0.000) 14.960 5.137 ( 0.215 -2.937 0.000) 2.945 5.180 ( -2.374 -16.998 0.000) 17.163 5.304 ( 4.975 8.728 0.000) 10.047 5.418 ( 1.421 2.954 0.000) 3.278 5.488 ( 0.965 -4.384 0.000) 4.489 5.519 ( 6.165 -1.419 0.000) 6.326 5.551 ( 2.795 -3.159 0.000) 4.218 5.645 ( -3.948 -7.425 0.000) 8.409 5.671 ( -6.288 6.954 0.000) 9.375 5.791 ( -4.504 -6.009 0.000) 7.510 5.817 ( 7.382 4.080 0.000) 8.435 5.920 ( 6.238 -5.804 0.000) 8.521 6.037 ( -2.590 2.239 0.000) 3.424 6.074 ( 9.648 8.397 0.000) 12.790 6.089 ( -2.424 -2.700 0.000) 3.628 6.184 ( 16.767 -2.295 0.000) 16.924 6.406 ( -5.609 16.543 0.000) 17.468 6.558 ( 5.437 2.789 0.000) 6.110 6.620 ( -0.193 -5.626 0.000) 5.629 6.623 ( 7.993 -3.577 0.000) 8.757 6.716 ( 2.644 2.533 0.000) 3.662 6.825 ( -6.114 -9.381 0.000) 11.197 6.891 ( -5.160 2.915 0.000) 5.927 6.971 ( -2.195 -5.822 0.000) 6.222 7.083 ( -10.339 5.750 0.000) 11.830 7.186 ( -10.352 -5.493 0.000) 11.719 7.264 ( -1.148 10.116 0.000) 10.181 7.436 ( -6.871 5.943 0.000) 9.084 7.466 ( -1.513 -11.301 0.000) 11.402 7.574 ( -4.263 -9.131 0.000) 10.077 7.935 ( -1.229 8.604 0.000) 8.692 7.959 ( -0.836 10.254 0.000) 10.288 8.071 ( 1.175 -6.115 0.000) 6.227 8.137 ( -0.879 -9.527 0.000) 9.567 8.309 ( 6.283 6.790 0.000) 9.251 8.445 ( 4.723 -7.093 0.000) 8.522 8.512 ( -2.586 9.575 0.000) 9.918 8.666 ( -3.726 -6.750 0.000) 7.710 8.928 ( 9.933 2.395 0.000) 10.218 8.973 ( 7.546 -2.036 0.000) 7.815 9.121 ( 0.268 2.556 0.000) 2.570 9.168 ( -0.243 -2.242 0.000) 2.255 9.260 ( 3.491 8.290 0.000) 8.995 9.398 ( -3.300 4.053 0.000) 5.227 9.424 ( 2.319 -8.177 0.000) 8.500 9.484 ( -1.252 -4.632 0.000) 4.798 9.557 ( 3.735 4.391 0.000) 5.765 9.636 ( -0.300 6.042 0.000) 6.050 9.674 ( 3.379 -8.251 0.000) 8.916 9.764 ( 1.233 -7.203 0.000) 7.307 10.030 ( 3.523 7.421 0.000) 8.215 10.078 ( 0.366 4.635 0.000) 4.650 10.134 ( 5.539 -3.930 0.000) 6.791 10.151 ( 4.544 -3.008 0.000) 5.449 11.169 ( 8.649 2.498 0.000) 9.002 11.219 ( 8.649 -2.503 0.000) 9.004 11.316 ( 9.873 0.562 0.000) 9.889 11.332 ( 9.616 -0.718 0.000) 9.643 11.344 ( 2.536 9.513 0.000) 9.845 11.574 ( -2.728 -13.542 0.000) 13.814 11.732 ( -8.598 1.119 0.000) 8.671 11.786 ( -10.161 -3.510 0.000) 10.750 12.202 ( 3.334 4.672 0.000) 5.740 12.299 ( 3.884 -4.943 0.000) 6.287 12.437 ( -6.069 7.312 0.000) 9.502 12.584 ( -7.484 -7.611 0.000) 10.674 13.739 ( 1.799 4.505 0.000) 4.851 13.850 ( 2.614 -7.084 0.000) 7.551 13.915 ( -8.442 11.321 0.000) 14.122 14.055 ( -7.420 -4.551 0.000) 8.705 14.402 ( -1.933 16.647 0.000) 16.758 14.445 ( -2.414 11.604 0.000) 11.852 14.637 ( -1.114 -8.055 0.000) 8.132 14.698 ( -5.374 -11.979 0.000) 13.129 14.825 ( 2.991 1.223 0.000) 3.231 14.862 ( 5.216 -2.305 0.000) 5.703 14.907 ( -0.411 6.610 0.000) 6.623 15.038 ( -2.495 -6.426 0.000) 6.893 15.218 ( 5.085 6.727 0.000) 8.433 15.350 ( 4.742 -6.427 0.000) 7.987 15.509 ( -6.673 2.530 0.000) 7.136 15.554 ( -4.574 -1.775 0.000) 4.906 16.403 ( 12.548 6.353 0.000) 14.064 16.540 ( 6.956 -7.524 0.000) 10.246 16.653 ( -0.336 1.954 0.000) 1.983 16.731 ( -2.754 -6.542 0.000) 7.098 16.813 ( 4.480 5.426 0.000) 7.037 16.908 ( 9.701 -4.410 0.000) 10.657 16.953 ( -2.280 3.417 0.000) 4.107 17.038 ( 2.666 -4.894 0.000) 5.573 17.103 ( 10.278 2.378 0.000) 10.549 17.151 ( 7.779 -2.325 0.000) 8.119 17.369 ( -3.253 10.712 0.000) 11.195 17.515 ( -8.943 -4.100 0.000) 9.838 17.873 ( 0.547 1.696 0.000) 1.782 17.915 ( -0.216 -2.257 0.000) 2.267 17.986 ( -0.238 0.546 0.000) 0.596 18.021 ( -1.651 -2.109 0.000) 2.679 18.529 ( -3.818 8.241 0.000) 9.082 18.539 ( -5.004 0.821 0.000) 5.071 18.553 ( -4.996 -0.553 0.000) 5.027 18.682 ( -8.805 -7.559 0.000) 11.605 18.928 ( -3.382 1.562 0.000) 3.725 18.977 ( -6.726 5.583 0.000) 8.741 18.978 ( -2.594 -3.945 0.000) 4.721 19.090 ( -9.107 -6.652 0.000) 11.278 19.231 ( 2.963 8.621 0.000) 9.116 19.393 ( 6.831 -8.336 0.000) 10.778 19.444 ( -9.355 10.878 0.000) 14.347 19.656 ( -6.050 -11.710 0.000) 13.181 19.872 ( 1.498 4.489 0.000) 4.733 19.941 ( 2.967 -2.670 0.000) 3.991 20.006 ( -4.000 6.635 0.000) 7.747 20.107 ( -3.429 -4.265 0.000) 5.472 20.648 ( 3.048 2.110 0.000) 3.707 20.691 ( 1.410 -2.181 0.000) 2.597 20.762 ( -2.528 0.691 0.000) 2.621 20.776 ( -2.575 -0.695 0.000) 2.667 ======================= Grid point 10 (8/40) ======================= q-point: (-0.50 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 30 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.935 ( -3.011 2.641 0.000) 4.005 0.935 ( 3.011 2.641 0.000) 4.005 0.970 ( -3.625 -0.320 0.000) 3.639 0.970 ( 3.625 -0.320 0.000) 3.639 1.240 ( -4.715 18.358 0.000) 18.954 1.240 ( 4.715 18.358 0.000) 18.954 1.450 ( -8.855 -3.457 0.000) 9.505 1.450 ( 8.855 -3.457 0.000) 9.505 1.657 ( -1.544 -1.591 0.000) 2.217 1.657 ( 1.544 -1.591 0.000) 2.217 1.748 ( -8.400 -8.864 0.000) 12.212 1.748 ( 8.400 -8.864 0.000) 12.212 2.170 ( -4.457 0.008 0.000) 4.457 2.170 ( 4.457 0.008 0.000) 4.457 2.227 ( -6.164 -6.271 0.000) 8.793 2.227 ( 6.164 -6.271 0.000) 8.793 2.362 ( -19.550 2.153 0.000) 19.668 2.362 ( 19.550 2.153 0.000) 19.668 2.434 ( -20.678 -5.992 0.000) 21.529 2.434 ( 20.678 -5.992 0.000) 21.529 2.701 ( -11.360 3.904 0.000) 12.012 2.701 ( 11.360 3.904 0.000) 12.012 2.764 ( -7.791 -4.488 0.000) 8.991 2.764 ( 7.791 -4.488 0.000) 8.991 3.258 ( -0.334 14.396 0.000) 14.400 3.258 ( 0.334 14.396 0.000) 14.400 3.374 ( -3.994 4.446 0.000) 5.977 3.374 ( 3.994 4.446 0.000) 5.977 3.471 ( -0.557 -3.916 0.000) 3.956 3.471 ( 0.557 -3.916 0.000) 3.956 3.513 ( -0.880 -5.341 0.000) 5.413 3.513 ( 0.880 -5.341 0.000) 5.413 3.864 ( -0.426 3.191 0.000) 3.220 3.864 ( 0.426 3.191 0.000) 3.220 3.986 ( -1.491 -4.825 0.000) 5.050 3.986 ( 1.491 -4.825 0.000) 5.050 4.040 ( -2.260 2.752 0.000) 3.561 4.040 ( 2.260 2.752 0.000) 3.561 4.143 ( -0.050 -9.035 0.000) 9.036 4.143 ( 0.050 -9.035 0.000) 9.036 4.393 ( -1.844 5.069 0.000) 5.394 4.393 ( 1.844 5.069 0.000) 5.394 4.500 ( -3.510 -4.230 0.000) 5.497 4.500 ( 3.510 -4.230 0.000) 5.497 4.600 ( -2.610 9.200 0.000) 9.563 4.600 ( 2.610 9.200 0.000) 9.563 4.744 ( -0.292 -3.495 0.000) 3.508 4.744 ( 0.292 -3.495 0.000) 3.508 4.865 ( -3.600 14.651 0.000) 15.086 4.865 ( 3.600 14.651 0.000) 15.086 5.158 ( -0.538 -13.562 0.000) 13.573 5.158 ( 0.538 -13.562 0.000) 13.573 5.399 ( -3.369 3.613 0.000) 4.940 5.399 ( 3.369 3.613 0.000) 4.940 5.510 ( -2.233 -7.245 0.000) 7.582 5.510 ( 2.233 -7.245 0.000) 7.582 5.581 ( -2.364 5.710 0.000) 6.180 5.581 ( 2.364 5.710 0.000) 6.180 5.702 ( -4.549 -6.335 0.000) 7.799 5.702 ( 4.549 -6.335 0.000) 7.799 5.951 ( -5.435 3.601 0.000) 6.520 5.951 ( 5.435 3.601 0.000) 6.520 6.022 ( -4.001 -3.553 0.000) 5.351 6.022 ( 4.001 -3.553 0.000) 5.351 6.264 ( -8.061 15.670 0.000) 17.622 6.264 ( 8.061 15.670 0.000) 17.622 6.510 ( -11.783 -9.780 0.000) 15.313 6.510 ( 11.783 -9.780 0.000) 15.313 6.678 ( -6.482 3.895 0.000) 7.563 6.678 ( 6.482 3.895 0.000) 7.563 6.746 ( -1.802 -2.963 0.000) 3.468 6.746 ( 1.802 -2.963 0.000) 3.468 6.908 ( -5.611 3.461 0.000) 6.592 6.908 ( 5.611 3.461 0.000) 6.592 7.000 ( -6.002 -6.858 0.000) 9.114 7.000 ( 6.002 -6.858 0.000) 9.114 7.300 ( -4.879 8.991 0.000) 10.229 7.300 ( 4.879 8.991 0.000) 10.229 7.487 ( -3.263 -11.176 0.000) 11.643 7.487 ( 3.263 -11.176 0.000) 11.643 7.937 ( -0.947 9.949 0.000) 9.994 7.937 ( 0.947 9.949 0.000) 9.994 8.107 ( -1.892 -8.603 0.000) 8.809 8.107 ( 1.892 -8.603 0.000) 8.809 8.432 ( -5.096 7.850 0.000) 9.359 8.432 ( 5.096 7.850 0.000) 9.359 8.563 ( -5.841 -5.973 0.000) 8.354 8.563 ( 5.841 -5.973 0.000) 8.354 9.082 ( -4.288 1.491 0.000) 4.540 9.082 ( 4.288 1.491 0.000) 4.540 9.109 ( -5.406 -1.256 0.000) 5.550 9.109 ( 5.406 -1.256 0.000) 5.550 9.330 ( -3.259 6.400 0.000) 7.182 9.330 ( 3.259 6.400 0.000) 7.182 9.459 ( -1.296 -6.569 0.000) 6.696 9.459 ( 1.296 -6.569 0.000) 6.696 9.614 ( -1.802 5.038 0.000) 5.350 9.614 ( 1.802 5.038 0.000) 5.350 9.740 ( -2.745 -8.457 0.000) 8.892 9.740 ( 2.745 -8.457 0.000) 8.892 10.078 ( -0.973 8.177 0.000) 8.235 10.078 ( 0.973 8.177 0.000) 8.235 10.198 ( -0.418 -4.743 0.000) 4.761 10.198 ( 0.418 -4.743 0.000) 4.761 11.320 ( -4.865 5.620 0.000) 7.433 11.320 ( 4.865 5.620 0.000) 7.433 11.420 ( -10.124 -3.368 0.000) 10.670 11.420 ( 10.124 -3.368 0.000) 10.670 11.536 ( -10.615 -1.169 0.000) 10.680 11.536 ( 10.615 -1.169 0.000) 10.680 11.559 ( -11.174 -2.597 0.000) 11.472 11.559 ( 11.174 -2.597 0.000) 11.472 12.302 ( -6.152 5.581 0.000) 8.306 12.302 ( 6.152 5.581 0.000) 8.306 12.418 ( -7.503 -5.888 0.000) 9.537 12.418 ( 7.503 -5.888 0.000) 9.537 13.795 ( -3.841 6.884 0.000) 7.883 13.795 ( 3.841 6.884 0.000) 7.883 13.926 ( -4.891 -6.843 0.000) 8.411 13.926 ( 4.891 -6.843 0.000) 8.411 14.402 ( -1.388 13.220 0.000) 13.293 14.402 ( 1.388 13.220 0.000) 13.293 14.632 ( -1.093 -10.021 0.000) 10.081 14.632 ( 1.093 -10.021 0.000) 10.081 14.882 ( -2.068 4.237 0.000) 4.714 14.882 ( 2.068 4.237 0.000) 4.714 14.966 ( -4.407 -4.161 0.000) 6.061 14.966 ( 4.407 -4.161 0.000) 6.061 15.357 ( -7.606 4.987 0.000) 9.095 15.357 ( 7.606 4.987 0.000) 9.095 15.452 ( -5.066 -4.441 0.000) 6.737 15.452 ( 5.066 -4.441 0.000) 6.737 16.609 ( -5.857 -0.063 0.000) 5.857 16.609 ( 5.857 -0.063 0.000) 5.857 16.648 ( -4.497 -3.552 0.000) 5.731 16.648 ( 4.497 -3.552 0.000) 5.731 16.888 ( -3.297 8.715 0.000) 9.318 16.888 ( 3.297 8.715 0.000) 9.318 17.057 ( -2.463 -9.287 0.000) 9.608 17.057 ( 2.463 -9.287 0.000) 9.608 17.276 ( -6.254 3.625 0.000) 7.229 17.276 ( 6.254 3.625 0.000) 7.229 17.310 ( -9.457 0.920 0.000) 9.502 17.310 ( 9.457 0.920 0.000) 9.502 17.938 ( -4.168 -0.007 0.000) 4.168 17.938 ( 4.168 -0.007 0.000) 4.168 17.955 ( -3.493 -1.242 0.000) 3.707 17.955 ( 3.493 -1.242 0.000) 3.707 18.489 ( -0.118 2.348 0.000) 2.351 18.489 ( 0.118 2.348 0.000) 2.351 18.534 ( -3.747 -2.254 0.000) 4.372 18.534 ( 3.747 -2.254 0.000) 4.372 18.897 ( -1.018 2.942 0.000) 3.113 18.897 ( 1.018 2.942 0.000) 3.113 18.975 ( -2.658 -5.700 0.000) 6.289 18.975 ( 2.658 -5.700 0.000) 6.289 19.304 ( -4.535 11.824 0.000) 12.664 19.304 ( 4.535 11.824 0.000) 12.664 19.529 ( -6.279 -12.195 0.000) 13.717 19.529 ( 6.279 -12.195 0.000) 13.717 19.924 ( -3.475 6.733 0.000) 7.577 19.924 ( 3.475 6.733 0.000) 7.577 20.020 ( -4.409 -3.637 0.000) 5.716 20.020 ( 4.409 -3.637 0.000) 5.716 20.706 ( -2.732 0.977 0.000) 2.901 20.706 ( 2.732 0.977 0.000) 2.901 20.726 ( -2.066 -0.992 0.000) 2.292 20.726 ( 2.066 -0.992 0.000) 2.292 ======================= Grid point 21 (9/40) ======================= q-point: ( 0.00 0.00 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 40 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.390 ( 0.000 0.000 21.085) 21.085 0.438 ( 0.000 0.000 21.527) 21.527 0.809 ( 0.000 0.000 36.811) 36.811 1.036 ( 0.000 0.000 7.037) 7.037 1.236 ( 0.000 0.000 21.560) 21.560 1.322 ( 0.000 0.000 8.504) 8.504 1.503 ( 0.000 0.000 7.802) 7.802 1.629 ( 0.000 0.000 9.910) 9.910 1.867 ( 0.000 0.000 18.401) 18.401 2.037 ( 0.000 0.000 4.417) 4.417 2.075 ( 0.000 0.000 5.687) 5.687 2.093 ( 0.000 0.000 10.907) 10.907 2.125 ( 0.000 0.000 5.585) 5.585 2.137 ( 0.000 0.000 10.533) 10.533 2.245 ( 0.000 0.000 3.190) 3.190 2.290 ( 0.000 0.000 8.375) 8.375 2.365 ( 0.000 0.000 2.454) 2.454 2.433 ( 0.000 0.000 5.179) 5.179 2.729 ( 0.000 0.000 0.091) 0.091 2.842 ( 0.000 0.000 9.048) 9.048 2.849 ( 0.000 0.000 0.157) 0.157 2.855 ( 0.000 0.000 -3.424) 3.424 2.960 ( 0.000 0.000 0.039) 0.039 2.988 ( 0.000 0.000 0.811) 0.811 3.196 ( 0.000 0.000 -1.673) 1.673 3.373 ( 0.000 0.000 -3.414) 3.414 3.497 ( 0.000 0.000 -2.053) 2.053 3.585 ( 0.000 0.000 -6.706) 6.706 3.626 ( 0.000 0.000 -8.736) 8.736 3.630 ( 0.000 0.000 -0.350) 0.350 3.672 ( 0.000 0.000 -5.209) 5.209 3.822 ( 0.000 0.000 -5.733) 5.733 3.840 ( 0.000 0.000 -15.232) 15.232 3.886 ( 0.000 0.000 -14.624) 14.624 3.988 ( 0.000 0.000 -7.124) 7.124 3.990 ( 0.000 0.000 -3.153) 3.153 4.056 ( 0.000 0.000 -3.038) 3.038 4.116 ( 0.000 0.000 -7.090) 7.090 4.188 ( 0.000 0.000 2.594) 2.594 4.297 ( 0.000 0.000 -5.711) 5.711 4.460 ( 0.000 0.000 2.176) 2.176 4.487 ( 0.000 0.000 -4.620) 4.620 4.516 ( 0.000 0.000 -2.314) 2.314 4.520 ( 0.000 0.000 -13.090) 13.090 4.590 ( 0.000 0.000 10.218) 10.218 4.606 ( 0.000 0.000 -8.143) 8.143 4.719 ( 0.000 0.000 0.089) 0.089 4.740 ( 0.000 0.000 2.246) 2.246 4.846 ( 0.000 0.000 -5.814) 5.814 4.908 ( 0.000 0.000 -5.921) 5.921 5.079 ( 0.000 0.000 -3.180) 3.180 5.119 ( 0.000 0.000 -4.865) 4.865 5.126 ( 0.000 0.000 -4.610) 4.610 5.182 ( 0.000 0.000 -1.227) 1.227 5.330 ( 0.000 0.000 4.136) 4.136 5.418 ( 0.000 0.000 4.647) 4.647 5.475 ( 0.000 0.000 2.195) 2.195 5.587 ( 0.000 0.000 7.985) 7.985 5.705 ( 0.000 0.000 9.860) 9.860 5.859 ( 0.000 0.000 2.903) 2.903 5.870 ( 0.000 0.000 -3.974) 3.974 5.907 ( 0.000 0.000 6.411) 6.411 5.991 ( 0.000 0.000 2.575) 2.575 6.009 ( 0.000 0.000 4.506) 4.506 6.081 ( 0.000 0.000 -5.410) 5.410 6.212 ( 0.000 0.000 -1.923) 1.923 6.347 ( 0.000 0.000 4.683) 4.683 6.382 ( 0.000 0.000 0.918) 0.918 6.412 ( 0.000 0.000 -5.653) 5.653 6.578 ( 0.000 0.000 -4.505) 4.505 6.617 ( 0.000 0.000 4.815) 4.815 7.025 ( 0.000 0.000 -5.796) 5.796 7.106 ( 0.000 0.000 -0.710) 0.710 7.142 ( 0.000 0.000 -9.231) 9.231 7.235 ( 0.000 0.000 3.920) 3.920 7.428 ( 0.000 0.000 -5.062) 5.062 7.462 ( 0.000 0.000 -3.364) 3.364 7.584 ( 0.000 0.000 -0.814) 0.814 7.684 ( 0.000 0.000 4.047) 4.047 7.742 ( 0.000 0.000 6.428) 6.428 7.866 ( 0.000 0.000 -0.706) 0.706 8.041 ( 0.000 0.000 6.269) 6.269 8.052 ( 0.000 0.000 1.771) 1.771 8.076 ( 0.000 0.000 4.083) 4.083 8.337 ( 0.000 0.000 0.900) 0.900 8.341 ( 0.000 0.000 -3.672) 3.672 8.586 ( 0.000 0.000 -2.384) 2.384 8.587 ( 0.000 0.000 1.534) 1.534 8.673 ( 0.000 0.000 6.393) 6.393 8.805 ( 0.000 0.000 0.600) 0.600 9.107 ( 0.000 0.000 2.679) 2.679 9.141 ( 0.000 0.000 -1.459) 1.459 9.188 ( 0.000 0.000 4.524) 4.524 9.218 ( 0.000 0.000 -1.272) 1.272 9.312 ( 0.000 0.000 1.234) 1.234 9.478 ( 0.000 0.000 -2.314) 2.314 9.478 ( 0.000 0.000 9.007) 9.007 9.558 ( 0.000 0.000 -2.194) 2.194 9.637 ( 0.000 0.000 -1.341) 1.341 9.690 ( 0.000 0.000 4.573) 4.573 9.889 ( 0.000 0.000 7.897) 7.897 9.949 ( 0.000 0.000 1.798) 1.798 9.992 ( 0.000 0.000 5.868) 5.868 10.064 ( 0.000 0.000 -6.358) 6.358 10.941 ( 0.000 0.000 2.460) 2.460 11.075 ( 0.000 0.000 -3.132) 3.132 11.101 ( 0.000 0.000 -3.135) 3.135 11.107 ( 0.000 0.000 -2.505) 2.505 11.178 ( 0.000 0.000 0.210) 0.210 11.209 ( 0.000 0.000 -1.225) 1.225 11.959 ( 0.000 0.000 5.253) 5.253 12.106 ( 0.000 0.000 5.140) 5.140 12.350 ( 0.000 0.000 7.137) 7.137 12.516 ( 0.000 0.000 3.770) 3.770 12.729 ( 0.000 0.000 8.604) 8.604 12.854 ( 0.000 0.000 7.654) 7.654 13.761 ( 0.000 0.000 2.024) 2.024 13.781 ( 0.000 0.000 7.963) 7.963 14.261 ( 0.000 0.000 4.900) 4.900 14.352 ( 0.000 0.000 -3.071) 3.071 14.375 ( 0.000 0.000 1.658) 1.658 14.619 ( 0.000 0.000 -8.605) 8.605 14.674 ( 0.000 0.000 -6.964) 6.964 14.737 ( 0.000 0.000 -4.302) 4.302 14.790 ( 0.000 0.000 -1.645) 1.645 14.876 ( 0.000 0.000 2.125) 2.125 15.060 ( 0.000 0.000 -1.842) 1.842 15.159 ( 0.000 0.000 -14.804) 14.804 15.256 ( 0.000 0.000 -0.402) 0.402 15.564 ( 0.000 0.000 -7.533) 7.533 15.584 ( 0.000 0.000 -6.110) 6.110 15.759 ( 0.000 0.000 -6.051) 6.051 15.945 ( 0.000 0.000 1.155) 1.155 16.035 ( 0.000 0.000 -6.805) 6.805 16.641 ( 0.000 0.000 -0.246) 0.246 16.683 ( 0.000 0.000 5.965) 5.965 16.702 ( 0.000 0.000 2.416) 2.416 16.712 ( 0.000 0.000 4.000) 4.000 16.816 ( 0.000 0.000 7.449) 7.449 16.824 ( 0.000 0.000 -5.461) 5.461 16.934 ( 0.000 0.000 3.504) 3.504 17.087 ( 0.000 0.000 3.885) 3.885 17.242 ( 0.000 0.000 8.704) 8.704 17.800 ( 0.000 0.000 -3.034) 3.034 17.816 ( 0.000 0.000 -2.008) 2.008 17.880 ( 0.000 0.000 -5.193) 5.193 17.991 ( 0.000 0.000 -3.918) 3.918 18.019 ( 0.000 0.000 -1.992) 1.992 18.316 ( 0.000 0.000 -2.086) 2.086 18.513 ( 0.000 0.000 -11.075) 11.075 18.770 ( 0.000 0.000 -12.559) 12.559 18.905 ( 0.000 0.000 -2.041) 2.041 18.962 ( 0.000 0.000 -1.437) 1.437 19.066 ( 0.000 0.000 -1.314) 1.314 19.087 ( 0.000 0.000 -5.330) 5.330 19.144 ( 0.000 0.000 6.831) 6.831 19.456 ( 0.000 0.000 -22.112) 22.112 19.694 ( 0.000 0.000 4.437) 4.437 19.855 ( 0.000 0.000 -0.399) 0.399 19.871 ( 0.000 0.000 4.285) 4.285 19.895 ( 0.000 0.000 -2.344) 2.344 20.007 ( 0.000 0.000 8.323) 8.323 20.146 ( 0.000 0.000 -3.318) 3.318 20.374 ( 0.000 0.000 13.164) 13.164 20.435 ( 0.000 0.000 0.138) 0.138 20.469 ( 0.000 0.000 1.790) 1.790 20.830 ( 0.000 0.000 0.845) 0.845 20.886 ( 0.000 0.000 -0.302) 0.302 ======================= Grid point 22 (10/40) ======================= q-point: ( 0.17 0.00 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 54 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.485 ( 8.632 0.000 15.639) 17.863 0.509 ( 10.041 0.000 16.564) 19.370 1.009 ( 14.187 0.000 30.395) 33.543 1.056 ( 2.908 0.000 6.922) 7.508 1.248 ( 0.498 0.000 21.486) 21.492 1.343 ( 1.683 0.000 5.745) 5.987 1.537 ( 3.194 0.000 7.120) 7.803 1.544 ( -7.399 0.000 10.141) 12.553 1.911 ( 2.914 0.000 17.933) 18.168 1.948 ( -5.877 0.000 6.589) 8.829 1.989 ( -5.349 0.000 8.553) 10.088 2.020 ( -5.969 0.000 7.076) 9.257 2.084 ( -7.206 0.000 6.227) 9.523 2.164 ( -0.587 0.000 3.511) 3.560 2.185 ( 4.689 0.000 5.841) 7.490 2.342 ( -8.204 0.000 3.379) 8.873 2.384 ( 5.149 0.000 5.674) 7.662 2.412 ( -0.577 0.000 3.869) 3.911 2.601 ( -9.083 0.000 0.466) 9.095 2.749 ( -5.817 0.000 5.581) 8.062 2.851 ( 0.857 0.000 5.881) 5.943 2.857 ( 0.230 0.000 -3.213) 3.221 2.959 ( -3.569 0.000 -2.096) 4.139 2.983 ( 1.644 0.000 1.726) 2.384 3.153 ( -4.124 0.000 0.930) 4.227 3.291 ( -7.040 0.000 -5.224) 8.767 3.459 ( -5.178 0.000 -4.290) 6.724 3.526 ( -7.185 0.000 -6.906) 9.966 3.550 ( -6.992 0.000 -6.415) 9.489 3.588 ( -2.410 0.000 -7.351) 7.736 3.664 ( -0.271 0.000 -8.588) 8.592 3.765 ( -3.734 0.000 -3.974) 5.453 3.813 ( 3.163 0.000 -8.451) 9.024 3.910 ( 0.511 0.000 -6.422) 6.443 3.926 ( -7.044 0.000 -3.454) 7.845 3.951 ( -5.898 0.000 -3.433) 6.825 4.017 ( -1.420 0.000 -3.621) 3.890 4.132 ( 1.231 0.000 -2.512) 2.798 4.195 ( -2.738 0.000 -2.405) 3.644 4.299 ( 4.430 0.000 1.819) 4.789 4.374 ( -5.330 0.000 -0.951) 5.415 4.390 ( -4.087 0.000 6.522) 7.697 4.496 ( -4.077 0.000 2.187) 4.627 4.533 ( -3.789 0.000 3.173) 4.942 4.540 ( -1.852 0.000 -4.543) 4.906 4.577 ( 2.873 0.000 -10.240) 10.636 4.705 ( -1.144 0.000 -2.141) 2.428 4.743 ( -2.974 0.000 2.002) 3.585 4.862 ( 1.203 0.000 -4.835) 4.982 4.875 ( -3.066 0.000 1.787) 3.549 5.009 ( -2.996 0.000 -5.723) 6.460 5.120 ( 6.247 0.000 -1.847) 6.514 5.266 ( 6.635 0.000 -0.539) 6.657 5.276 ( 10.106 0.000 -5.164) 11.349 5.378 ( 2.020 0.000 -0.498) 2.080 5.490 ( 6.322 0.000 -2.978) 6.989 5.512 ( 3.603 0.000 3.577) 5.077 5.588 ( 0.334 0.000 7.465) 7.473 5.675 ( -7.179 0.000 -3.118) 7.827 5.867 ( 7.603 0.000 5.673) 9.486 5.877 ( 1.033 0.000 1.609) 1.912 5.955 ( 2.683 0.000 10.146) 10.495 5.991 ( -0.305 0.000 0.584) 0.659 5.997 ( 0.669 0.000 5.863) 5.901 6.063 ( -1.428 0.000 -3.869) 4.124 6.226 ( 0.674 0.000 -0.290) 0.734 6.260 ( -5.815 0.000 1.684) 6.054 6.421 ( 4.236 0.000 -0.147) 4.238 6.434 ( 1.115 0.000 -2.641) 2.867 6.620 ( 3.132 0.000 -3.379) 4.607 6.677 ( 4.941 0.000 4.444) 6.646 6.964 ( -6.422 0.000 -8.033) 10.285 7.034 ( -7.773 0.000 -5.858) 9.734 7.082 ( -2.102 0.000 -1.432) 2.543 7.216 ( -1.692 0.000 3.896) 4.247 7.258 ( -9.439 0.000 1.181) 9.513 7.446 ( -4.706 0.000 -4.375) 6.425 7.487 ( -7.522 0.000 2.045) 7.795 7.698 ( -1.272 0.000 2.237) 2.573 7.778 ( 2.026 0.000 3.668) 4.190 7.850 ( -2.497 0.000 0.749) 2.607 7.933 ( -5.215 0.000 3.878) 6.499 8.090 ( 2.469 0.000 2.684) 3.647 8.142 ( 4.073 0.000 1.398) 4.306 8.324 ( -1.012 0.000 0.438) 1.102 8.340 ( 0.419 0.000 -2.133) 2.174 8.558 ( -0.884 0.000 2.845) 2.979 8.716 ( 10.580 0.000 3.524) 11.151 8.809 ( -0.346 0.000 1.644) 1.680 8.821 ( 9.528 0.000 2.342) 9.812 9.126 ( 1.923 0.000 1.627) 2.519 9.153 ( 3.654 0.000 5.011) 6.202 9.213 ( 1.523 0.000 4.637) 4.881 9.343 ( 5.654 0.000 -4.479) 7.213 9.440 ( 6.121 0.000 -0.854) 6.180 9.486 ( -0.037 0.000 -0.080) 0.088 9.540 ( 5.082 0.000 3.147) 5.977 9.556 ( 0.811 0.000 -1.309) 1.540 9.652 ( 1.828 0.000 -3.867) 4.277 9.748 ( 4.815 0.000 3.122) 5.738 9.895 ( 0.829 0.000 5.817) 5.876 10.001 ( 4.583 0.000 1.039) 4.699 10.041 ( -2.424 0.000 -6.123) 6.586 10.058 ( 5.526 0.000 2.407) 6.027 11.004 ( 5.649 0.000 1.505) 5.846 11.091 ( 4.524 0.000 -1.401) 4.736 11.129 ( 3.193 0.000 -1.866) 3.698 11.163 ( 5.205 0.000 -2.376) 5.722 11.192 ( 3.730 0.000 1.341) 3.964 11.422 ( 10.929 0.000 -12.768) 16.807 11.895 ( -6.147 0.000 4.863) 7.839 12.042 ( -6.158 0.000 4.778) 7.794 12.356 ( 0.544 0.000 6.603) 6.625 12.469 ( -3.925 0.000 5.388) 6.666 12.626 ( -7.074 0.000 14.598) 16.221 12.845 ( -2.895 0.000 4.481) 5.335 13.760 ( 0.081 0.000 2.939) 2.940 13.791 ( 0.602 0.000 7.500) 7.524 14.236 ( -2.046 0.000 5.890) 6.235 14.316 ( -3.465 0.000 -1.019) 3.612 14.341 ( -2.416 0.000 -0.397) 2.449 14.575 ( -14.912 0.000 8.807) 17.318 14.631 ( 0.271 0.000 -7.525) 7.530 14.740 ( 0.519 0.000 -4.177) 4.209 14.803 ( -0.738 0.000 -2.852) 2.946 14.855 ( -1.289 0.000 0.876) 1.558 14.870 ( -9.670 0.000 15.463) 18.237 15.075 ( -4.385 0.000 -9.857) 10.789 15.210 ( -10.237 0.000 7.920) 12.943 15.309 ( 4.006 0.000 -1.179) 4.175 15.541 ( -4.072 0.000 -5.694) 7.001 15.565 ( -1.708 0.000 -5.660) 5.912 15.930 ( 13.365 0.000 -7.491) 15.321 16.495 ( 9.768 0.000 -6.686) 11.837 16.670 ( 3.142 0.000 0.279) 3.154 16.700 ( 0.901 0.000 6.531) 6.593 16.779 ( 1.438 0.000 -4.221) 4.459 16.781 ( 6.596 0.000 3.530) 7.481 16.878 ( 9.294 0.000 1.611) 9.433 16.913 ( 2.099 0.000 -6.781) 7.098 17.000 ( 5.312 0.000 2.546) 5.890 17.122 ( 3.547 0.000 3.922) 5.289 17.248 ( 0.818 0.000 7.442) 7.487 17.703 ( -5.902 0.000 -1.278) 6.039 17.846 ( -2.882 0.000 -4.673) 5.490 17.895 ( 2.751 0.000 -4.309) 5.113 17.959 ( -1.492 0.000 -3.030) 3.377 18.019 ( 0.043 0.000 -2.739) 2.740 18.266 ( -1.771 0.000 -5.791) 6.056 18.533 ( -0.793 0.000 -10.717) 10.746 18.740 ( -2.632 0.000 -13.466) 13.721 18.769 ( -8.895 0.000 1.194) 8.975 18.974 ( -0.893 0.000 5.289) 5.364 18.975 ( -5.574 0.000 -5.521) 7.845 19.138 ( 1.186 0.000 -0.061) 1.188 19.227 ( 4.429 0.000 -1.601) 4.709 19.363 ( -7.969 0.000 -18.615) 20.249 19.472 ( -15.649 0.000 18.501) 24.232 19.539 ( -13.029 0.000 7.228) 14.900 19.848 ( -0.414 0.000 0.230) 0.474 19.866 ( -1.914 0.000 -0.721) 2.046 20.002 ( -0.287 0.000 7.246) 7.252 20.020 ( -7.947 0.000 -2.676) 8.386 20.327 ( -4.303 0.000 9.984) 10.872 20.521 ( 5.487 0.000 -0.435) 5.504 20.616 ( 4.296 0.000 -5.401) 6.901 20.815 ( -1.622 0.000 0.592) 1.727 20.854 ( -2.746 0.000 0.461) 2.784 ======================= Grid point 23 (11/40) ======================= q-point: ( 0.33 0.00 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 56 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.755 ( 12.957 0.000 11.371) 17.239 0.760 ( 15.790 0.000 8.914) 18.132 1.159 ( 5.206 0.000 11.972) 13.055 1.226 ( -3.414 0.000 15.624) 15.993 1.232 ( 3.217 0.000 18.427) 18.706 1.365 ( -8.019 0.000 16.637) 18.469 1.383 ( 2.557 0.000 3.433) 4.281 1.622 ( 3.066 0.000 4.910) 5.789 1.829 ( -3.527 0.000 10.126) 10.723 1.833 ( -9.987 0.000 1.802) 10.149 1.872 ( -4.661 0.000 8.470) 9.668 2.009 ( 4.194 0.000 8.953) 9.887 2.055 ( 9.726 0.000 11.005) 14.686 2.082 ( -9.817 0.000 0.004) 9.817 2.264 ( 5.251 0.000 4.476) 6.900 2.323 ( 8.357 0.000 1.689) 8.526 2.354 ( -3.812 0.000 5.990) 7.100 2.438 ( -0.728 0.000 2.507) 2.611 2.481 ( -1.881 0.000 5.258) 5.584 2.622 ( -6.697 0.000 3.715) 7.659 2.810 ( -9.096 0.000 0.031) 9.096 2.869 ( 2.063 0.000 -3.317) 3.906 2.894 ( -1.457 0.000 0.147) 1.464 2.983 ( -14.812 0.000 -1.944) 14.939 3.002 ( 0.239 0.000 0.282) 0.369 3.094 ( -8.818 0.000 0.079) 8.818 3.277 ( -4.997 0.000 -4.281) 6.580 3.453 ( -2.057 0.000 -8.727) 8.966 3.456 ( -3.829 0.000 -2.013) 4.326 3.523 ( -3.617 0.000 -2.466) 4.378 3.537 ( -7.197 0.000 -6.950) 10.005 3.724 ( -5.527 0.000 -0.131) 5.528 3.845 ( 0.082 0.000 -6.048) 6.049 3.845 ( 2.575 0.000 0.314) 2.594 3.846 ( -2.867 0.000 -3.858) 4.807 3.919 ( 1.222 0.000 -3.064) 3.299 4.020 ( -0.178 0.000 -5.286) 5.289 4.038 ( -5.205 0.000 0.008) 5.205 4.270 ( 3.717 0.000 -2.591) 4.531 4.308 ( -0.285 0.000 4.845) 4.853 4.328 ( 3.091 0.000 -3.788) 4.890 4.360 ( -1.467 0.000 0.393) 1.519 4.449 ( -3.835 0.000 0.254) 3.843 4.504 ( 1.671 0.000 2.361) 2.892 4.514 ( 1.038 0.000 2.478) 2.686 4.599 ( -5.492 0.000 -2.416) 6.000 4.646 ( -3.003 0.000 -5.839) 6.566 4.688 ( 2.649 0.000 -4.702) 5.397 4.790 ( -4.679 0.000 5.074) 6.902 4.841 ( -2.711 0.000 -4.104) 4.919 5.052 ( 6.019 0.000 -5.665) 8.266 5.279 ( 7.520 0.000 0.485) 7.535 5.358 ( -1.187 0.000 -3.991) 4.164 5.415 ( 2.525 0.000 0.866) 2.669 5.428 ( 3.344 0.000 -2.774) 4.345 5.526 ( -3.940 0.000 -0.823) 4.025 5.608 ( 2.091 0.000 5.062) 5.477 5.637 ( 5.721 0.000 -5.251) 7.766 5.647 ( 8.198 0.000 1.215) 8.288 5.847 ( -4.677 0.000 0.907) 4.765 5.853 ( -4.586 0.000 3.413) 5.717 5.954 ( -3.700 0.000 -5.634) 6.740 6.034 ( 3.520 0.000 6.850) 7.702 6.053 ( 0.935 0.000 0.708) 1.173 6.145 ( 2.867 0.000 1.806) 3.388 6.147 ( -4.452 0.000 -0.029) 4.452 6.309 ( 13.456 0.000 7.355) 15.335 6.483 ( 4.052 0.000 -3.365) 5.268 6.572 ( 9.645 0.000 -1.883) 9.827 6.658 ( -0.818 0.000 -2.292) 2.434 6.787 ( 3.863 0.000 3.147) 4.983 6.816 ( -3.761 0.000 -4.454) 5.830 6.906 ( -4.968 0.000 -4.989) 7.040 7.006 ( -10.035 0.000 2.988) 10.471 7.060 ( -3.763 0.000 -2.654) 4.605 7.179 ( -1.362 0.000 4.016) 4.240 7.311 ( -7.964 0.000 -3.797) 8.823 7.317 ( -8.041 0.000 3.842) 8.911 7.664 ( -0.824 0.000 3.317) 3.418 7.773 ( -4.403 0.000 2.000) 4.836 7.806 ( 0.704 0.000 2.482) 2.580 7.851 ( -2.583 0.000 2.945) 3.918 8.162 ( 4.027 0.000 1.562) 4.319 8.228 ( 4.321 0.000 -0.223) 4.326 8.297 ( -1.823 0.000 0.581) 1.913 8.348 ( -0.413 0.000 -0.205) 0.461 8.584 ( 3.335 0.000 5.414) 6.359 8.771 ( -3.368 0.000 3.267) 4.693 8.956 ( 11.126 0.000 3.677) 11.717 9.006 ( 8.076 0.000 4.549) 9.269 9.202 ( 4.638 0.000 2.543) 5.289 9.205 ( 0.305 0.000 7.564) 7.571 9.233 ( -0.094 0.000 3.803) 3.804 9.378 ( -2.126 0.000 0.773) 2.262 9.497 ( 1.971 0.000 -0.103) 1.974 9.530 ( 3.219 0.000 1.474) 3.541 9.572 ( -0.211 0.000 0.966) 0.988 9.593 ( 0.248 0.000 2.419) 2.431 9.731 ( 5.141 0.000 -5.669) 7.653 9.857 ( 4.864 0.000 1.015) 4.969 9.921 ( 1.275 0.000 2.304) 2.634 9.962 ( -5.024 0.000 -5.109) 7.166 10.113 ( 5.276 0.000 -2.784) 5.966 10.165 ( 3.659 0.000 -1.984) 4.162 11.144 ( 7.073 0.000 -0.210) 7.076 11.246 ( 8.235 0.000 0.208) 8.237 11.256 ( 5.736 0.000 -0.878) 5.803 11.280 ( 7.925 0.000 -1.998) 8.173 11.329 ( 10.736 0.000 -0.440) 10.745 11.562 ( 1.859 0.000 -12.185) 12.326 11.714 ( -10.934 0.000 3.871) 11.599 11.857 ( -11.370 0.000 3.761) 11.976 12.345 ( -1.779 0.000 7.765) 7.966 12.437 ( 2.463 0.000 6.564) 7.011 12.477 ( -6.816 0.000 12.284) 14.048 12.725 ( -7.962 0.000 5.239) 9.531 13.768 ( 0.634 0.000 4.141) 4.189 13.797 ( -0.164 0.000 7.170) 7.172 14.195 ( -1.497 0.000 8.919) 9.043 14.248 ( -2.175 0.000 -0.455) 2.222 14.277 ( -8.577 0.000 22.101) 23.707 14.286 ( -2.767 0.000 -1.460) 3.129 14.635 ( 0.285 0.000 -7.044) 7.050 14.737 ( -4.644 0.000 -6.836) 8.264 14.764 ( 1.637 0.000 -4.023) 4.344 14.831 ( -1.193 0.000 -1.505) 1.921 14.879 ( 4.497 0.000 0.895) 4.585 15.063 ( -0.856 0.000 -2.998) 3.117 15.132 ( 2.353 0.000 -1.060) 2.581 15.391 ( 3.617 0.000 -2.287) 4.279 15.428 ( -6.782 0.000 -4.865) 8.347 15.519 ( -2.644 0.000 -4.516) 5.233 16.242 ( 15.823 0.000 -8.162) 17.804 16.637 ( 4.804 0.000 0.709) 4.856 16.715 ( 0.285 0.000 4.828) 4.836 16.730 ( 2.139 0.000 -1.004) 2.363 16.786 ( -0.171 0.000 -2.121) 2.128 16.822 ( -8.921 0.000 -7.008) 11.344 16.984 ( 12.374 0.000 2.952) 12.721 17.105 ( 10.133 0.000 2.191) 10.367 17.124 ( 6.131 0.000 3.228) 6.929 17.217 ( 3.990 0.000 2.905) 4.935 17.279 ( 1.445 0.000 4.692) 4.910 17.542 ( -10.194 0.000 0.436) 10.203 17.811 ( 1.182 0.000 -4.469) 4.622 17.896 ( -0.053 0.000 -3.810) 3.811 17.973 ( 0.465 0.000 -2.073) 2.125 18.000 ( -2.570 0.000 -3.708) 4.512 18.266 ( 1.385 0.000 -10.314) 10.406 18.466 ( -5.650 0.000 -9.730) 11.252 18.615 ( -3.201 0.000 7.203) 7.882 18.684 ( -1.992 0.000 -14.206) 14.345 18.838 ( -7.658 0.000 -9.400) 12.125 18.894 ( -8.195 0.000 8.985) 12.161 19.112 ( -2.737 0.000 0.379) 2.764 19.190 ( -4.235 0.000 1.024) 4.357 19.202 ( -6.133 0.000 -7.823) 9.941 19.239 ( -7.562 0.000 8.870) 11.655 19.497 ( 7.475 0.000 1.952) 7.726 19.840 ( 0.057 0.000 1.921) 1.922 19.852 ( 0.183 0.000 2.259) 2.267 19.856 ( -8.164 0.000 -2.839) 8.643 20.007 ( 1.327 0.000 3.660) 3.893 20.210 ( -6.548 0.000 4.980) 8.227 20.615 ( 3.800 0.000 -1.279) 4.010 20.667 ( 1.846 0.000 -3.707) 4.141 20.764 ( -3.110 0.000 0.100) 3.111 20.786 ( -3.523 0.000 -0.231) 3.530 ======================= Grid point 24 (12/40) ======================= q-point: (-0.50 0.00 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 36 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.025 ( -12.439 0.000 7.876) 14.723 1.025 ( 12.439 0.000 7.876) 14.723 1.086 ( -14.186 0.000 9.913) 17.307 1.086 ( 14.186 0.000 9.913) 17.307 1.265 ( -3.366 0.000 22.135) 22.389 1.265 ( 3.366 0.000 22.135) 22.389 1.502 ( -9.176 0.000 2.448) 9.497 1.502 ( 9.176 0.000 2.448) 9.497 1.807 ( -1.288 0.000 9.645) 9.730 1.807 ( 1.288 0.000 9.645) 9.730 1.860 ( -8.488 0.000 3.249) 9.089 1.860 ( 8.488 0.000 3.249) 9.089 2.235 ( -7.775 0.000 5.719) 9.652 2.235 ( 7.775 0.000 5.719) 9.652 2.311 ( -11.843 0.000 1.603) 11.951 2.311 ( 11.843 0.000 1.603) 11.951 2.417 ( -12.147 0.000 5.249) 13.232 2.417 ( 12.147 0.000 5.249) 13.232 2.532 ( -12.599 0.000 -0.328) 12.603 2.532 ( 12.599 0.000 -0.328) 12.603 2.630 ( -14.252 0.000 0.531) 14.262 2.630 ( 14.252 0.000 0.531) 14.262 2.944 ( -5.431 0.000 2.107) 5.825 2.944 ( 5.431 0.000 2.107) 5.825 2.954 ( -4.844 0.000 -2.689) 5.540 2.954 ( 4.844 0.000 -2.689) 5.540 3.306 ( -5.849 0.000 -1.343) 6.001 3.306 ( 5.849 0.000 -1.343) 6.001 3.458 ( -2.199 0.000 -4.167) 4.712 3.458 ( 2.199 0.000 -4.167) 4.712 3.567 ( -6.797 0.000 0.042) 6.797 3.567 ( 6.797 0.000 0.042) 6.797 3.828 ( -0.716 0.000 -4.131) 4.193 3.828 ( 0.716 0.000 -4.131) 4.193 3.940 ( -4.719 0.000 -1.692) 5.013 3.940 ( 4.719 0.000 -1.692) 5.013 3.979 ( -3.440 0.000 -4.933) 6.014 3.979 ( 3.440 0.000 -4.933) 6.014 4.326 ( -1.616 0.000 1.731) 2.368 4.326 ( 1.616 0.000 1.731) 2.368 4.357 ( -4.682 0.000 -2.004) 5.093 4.357 ( 4.682 0.000 -2.004) 5.093 4.450 ( -6.872 0.000 -1.254) 6.985 4.450 ( 6.872 0.000 -1.254) 6.985 4.516 ( -1.429 0.000 -0.780) 1.628 4.516 ( 1.429 0.000 -0.780) 1.628 4.683 ( -5.204 0.000 3.295) 6.159 4.683 ( 5.204 0.000 3.295) 6.159 4.770 ( -3.946 0.000 -4.658) 6.105 4.770 ( 3.946 0.000 -4.658) 6.105 5.220 ( -9.070 0.000 -7.051) 11.488 5.220 ( 9.070 0.000 -7.051) 11.488 5.403 ( -3.655 0.000 2.988) 4.721 5.403 ( 3.655 0.000 2.988) 4.721 5.488 ( -1.727 0.000 0.500) 1.798 5.488 ( 1.727 0.000 0.500) 1.798 5.680 ( -5.278 0.000 4.174) 6.729 5.680 ( 5.278 0.000 4.174) 6.729 5.749 ( -5.190 0.000 -1.472) 5.394 5.749 ( 5.190 0.000 -1.472) 5.394 5.845 ( -6.232 0.000 -4.688) 7.799 5.845 ( 6.232 0.000 -4.688) 7.799 6.084 ( -1.945 0.000 -0.400) 1.985 6.084 ( 1.945 0.000 -0.400) 1.985 6.110 ( -3.444 0.000 4.407) 5.593 6.110 ( 3.444 0.000 4.407) 5.593 6.585 ( -5.071 0.000 -3.960) 6.434 6.585 ( 5.071 0.000 -3.960) 6.434 6.656 ( -14.604 0.000 4.406) 15.255 6.656 ( 14.604 0.000 4.406) 15.255 6.782 ( -6.152 0.000 -0.368) 6.163 6.782 ( 6.152 0.000 -0.368) 6.163 6.827 ( -2.860 0.000 -2.896) 4.070 6.827 ( 2.860 0.000 -2.896) 4.070 7.134 ( -8.033 0.000 -2.498) 8.412 7.134 ( 8.033 0.000 -2.498) 8.412 7.191 ( -3.307 0.000 4.306) 5.429 7.191 ( 3.307 0.000 4.306) 5.429 7.689 ( -3.091 0.000 2.889) 4.231 7.689 ( 3.091 0.000 2.889) 4.231 7.818 ( -0.815 0.000 2.514) 2.643 7.818 ( 0.815 0.000 2.514) 2.643 8.242 ( -3.457 0.000 1.100) 3.627 8.242 ( 3.457 0.000 1.100) 3.627 8.310 ( -3.174 0.000 -0.271) 3.185 8.310 ( 3.174 0.000 -0.271) 3.185 8.678 ( -5.138 0.000 4.722) 6.978 8.678 ( 5.138 0.000 4.722) 6.978 9.114 ( -1.849 0.000 4.587) 4.946 9.114 ( 1.849 0.000 4.587) 4.946 9.193 ( -2.185 0.000 5.949) 6.337 9.193 ( 2.185 0.000 5.949) 6.337 9.301 ( -4.583 0.000 3.039) 5.499 9.301 ( 4.583 0.000 3.039) 5.499 9.545 ( -2.150 0.000 0.997) 2.370 9.545 ( 2.150 0.000 0.997) 2.370 9.578 ( -1.523 0.000 1.263) 1.979 9.578 ( 1.523 0.000 1.263) 1.979 9.846 ( -5.821 0.000 -4.303) 7.239 9.846 ( 5.821 0.000 -4.303) 7.239 9.924 ( -1.411 0.000 0.525) 1.505 9.924 ( 1.411 0.000 0.525) 1.505 10.188 ( -1.499 0.000 -4.182) 4.442 10.188 ( 1.499 0.000 -4.182) 4.442 11.259 ( -3.178 0.000 -0.502) 3.218 11.259 ( 3.178 0.000 -0.502) 3.218 11.461 ( -11.536 0.000 2.176) 11.739 11.461 ( 11.536 0.000 2.176) 11.739 11.492 ( -8.195 0.000 -6.918) 10.725 11.492 ( 8.195 0.000 -6.918) 10.725 11.593 ( -12.928 0.000 2.176) 13.110 11.593 ( 12.928 0.000 2.176) 13.110 12.356 ( -3.527 0.000 8.844) 9.521 12.356 ( 3.527 0.000 8.844) 9.521 12.553 ( -7.655 0.000 6.309) 9.920 12.553 ( 7.655 0.000 6.309) 9.920 13.784 ( -0.868 0.000 5.836) 5.900 13.784 ( 0.868 0.000 5.836) 5.900 14.188 ( -1.219 0.000 14.218) 14.270 14.188 ( 1.219 0.000 14.218) 14.270 14.240 ( -1.253 0.000 -1.114) 1.676 14.240 ( 1.253 0.000 -1.114) 1.676 14.659 ( -2.385 0.000 -6.576) 6.996 14.659 ( 2.385 0.000 -6.576) 6.996 14.801 ( -1.743 0.000 -3.317) 3.746 14.801 ( 1.743 0.000 -3.317) 3.746 14.984 ( -5.003 0.000 -1.418) 5.201 14.984 ( 5.003 0.000 -1.418) 5.201 15.269 ( -8.118 0.000 -3.187) 8.721 15.269 ( 8.118 0.000 -3.187) 8.721 15.459 ( -3.057 0.000 -3.296) 4.495 15.459 ( 3.057 0.000 -3.296) 4.495 16.559 ( -14.024 0.000 -6.968) 15.660 16.559 ( 14.024 0.000 -6.968) 15.660 16.711 ( -1.683 0.000 2.906) 3.358 16.711 ( 1.683 0.000 2.906) 3.358 16.767 ( -1.491 0.000 -1.108) 1.857 16.767 ( 1.491 0.000 -1.108) 1.857 17.227 ( -2.673 0.000 3.752) 4.607 17.227 ( 2.673 0.000 3.752) 4.607 17.259 ( -3.566 0.000 1.918) 4.049 17.259 ( 3.566 0.000 1.918) 4.049 17.276 ( -14.649 0.000 1.783) 14.757 17.276 ( 14.649 0.000 1.783) 14.757 17.904 ( -6.086 0.000 -4.122) 7.351 17.904 ( 6.086 0.000 -4.122) 7.351 17.937 ( -3.224 0.000 -2.564) 4.119 17.937 ( 3.224 0.000 -2.564) 4.119 18.332 ( -5.417 0.000 -9.045) 10.543 18.332 ( 5.417 0.000 -9.045) 10.543 18.688 ( -8.727 0.000 9.072) 12.588 18.688 ( 8.727 0.000 9.072) 12.588 18.699 ( -4.189 0.000 -12.956) 13.616 18.699 ( 4.189 0.000 -12.956) 13.616 19.107 ( -2.769 0.000 -1.398) 3.103 19.107 ( 2.769 0.000 -1.398) 3.103 19.163 ( -1.246 0.000 3.326) 3.552 19.163 ( 1.246 0.000 3.326) 3.552 19.677 ( -9.010 0.000 -1.653) 9.161 19.677 ( 9.010 0.000 -1.653) 9.161 19.850 ( -0.521 0.000 3.703) 3.739 19.850 ( 0.521 0.000 3.703) 3.739 20.079 ( -5.465 0.000 1.995) 5.818 20.079 ( 5.465 0.000 1.995) 5.818 20.687 ( -2.801 0.000 -1.390) 3.127 20.687 ( 2.801 0.000 -1.390) 3.127 20.721 ( -2.113 0.000 -1.364) 2.515 20.721 ( 2.113 0.000 -1.364) 2.515 ======================= Grid point 28 (13/40) ======================= q-point: ( 0.00 0.33 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 56 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.549 ( 0.000 10.942 16.305) 19.636 0.753 ( 0.000 3.090 18.858) 19.110 0.818 ( 0.000 5.053 10.621) 11.762 1.067 ( 0.000 -13.611 22.358) 26.175 1.089 ( 0.000 26.285 20.354) 33.244 1.553 ( 0.000 -5.640 4.527) 7.232 1.554 ( 0.000 17.397 6.251) 18.486 1.702 ( 0.000 5.648 10.404) 11.838 1.807 ( 0.000 -8.236 12.881) 15.289 1.856 ( 0.000 -20.606 11.057) 23.385 1.998 ( 0.000 -1.801 11.064) 11.209 2.015 ( 0.000 -2.996 13.113) 13.451 2.106 ( 0.000 1.407 7.671) 7.799 2.170 ( 0.000 2.800 2.365) 3.666 2.198 ( 0.000 -6.010 3.284) 6.849 2.274 ( 0.000 3.628 8.168) 8.937 2.292 ( 0.000 -12.030 3.750) 12.601 2.345 ( 0.000 -3.229 7.069) 7.772 2.682 ( 0.000 4.272 3.950) 5.819 2.795 ( 0.000 -5.546 6.844) 8.809 2.827 ( 0.000 0.133 0.645) 0.658 2.843 ( 0.000 -0.927 0.743) 1.188 3.161 ( 0.000 0.081 0.432) 0.439 3.163 ( 0.000 5.662 -3.483) 6.647 3.203 ( 0.000 16.410 -3.149) 16.709 3.379 ( 0.000 6.726 2.459) 7.161 3.471 ( 0.000 -11.458 -5.364) 12.651 3.571 ( 0.000 -9.088 0.257) 9.092 3.579 ( 0.000 5.821 -4.882) 7.597 3.648 ( 0.000 -1.729 -6.345) 6.576 3.674 ( 0.000 3.388 -4.242) 5.429 3.728 ( 0.000 -3.781 -7.276) 8.200 3.865 ( 0.000 3.173 -13.450) 13.819 3.901 ( 0.000 2.293 -10.911) 11.150 3.967 ( 0.000 -6.751 -9.587) 11.725 3.976 ( 0.000 -5.709 -5.756) 8.107 4.031 ( 0.000 3.966 -2.542) 4.711 4.088 ( 0.000 -1.063 -1.566) 1.893 4.206 ( 0.000 2.379 2.303) 3.311 4.257 ( 0.000 0.381 1.397) 1.448 4.313 ( 0.000 -5.199 0.115) 5.201 4.384 ( 0.000 -7.229 -4.227) 8.374 4.554 ( 0.000 4.244 -6.557) 7.810 4.576 ( 0.000 2.539 -9.673) 10.001 4.597 ( 0.000 0.138 6.988) 6.989 4.606 ( 0.000 -0.067 3.363) 3.364 4.735 ( 0.000 2.197 -1.009) 2.417 4.805 ( 0.000 -4.185 -4.606) 6.223 4.860 ( 0.000 11.062 -12.811) 16.926 4.935 ( 0.000 4.248 -5.622) 7.047 5.010 ( 0.000 -6.760 -2.984) 7.390 5.092 ( 0.000 -7.696 -11.468) 13.811 5.177 ( 0.000 1.732 -6.535) 6.761 5.188 ( 0.000 -0.541 -3.186) 3.232 5.389 ( 0.000 -1.842 3.499) 3.954 5.392 ( 0.000 -1.659 1.722) 2.391 5.589 ( 0.000 2.882 11.560) 11.913 5.666 ( 0.000 -3.876 11.021) 11.682 5.719 ( 0.000 14.718 -1.382) 14.783 5.850 ( 0.000 -1.906 2.148) 2.871 5.920 ( 0.000 3.464 -1.339) 3.714 5.954 ( 0.000 2.541 4.724) 5.364 6.002 ( 0.000 0.169 -0.175) 0.243 6.017 ( 0.000 -4.595 -3.085) 5.535 6.050 ( 0.000 3.980 3.592) 5.361 6.128 ( 0.000 -4.931 2.871) 5.706 6.383 ( 0.000 1.557 -3.253) 3.606 6.406 ( 0.000 -0.811 -5.568) 5.627 6.516 ( 0.000 8.087 0.518) 8.104 6.588 ( 0.000 -0.713 -2.540) 2.638 6.696 ( 0.000 10.107 2.460) 10.402 6.930 ( 0.000 -12.191 -2.227) 12.393 7.065 ( 0.000 2.630 -4.886) 5.549 7.121 ( 0.000 -2.387 -7.655) 8.019 7.409 ( 0.000 8.380 1.648) 8.540 7.450 ( 0.000 2.463 -5.094) 5.658 7.456 ( 0.000 -0.638 -3.939) 3.991 7.540 ( 0.000 -4.458 0.708) 4.514 7.679 ( 0.000 -0.154 4.383) 4.386 7.697 ( 0.000 -2.368 5.334) 5.836 7.954 ( 0.000 6.858 -1.387) 6.997 8.044 ( 0.000 -1.790 1.340) 2.236 8.098 ( 0.000 2.156 4.057) 4.594 8.178 ( 0.000 -7.488 0.832) 7.534 8.221 ( 0.000 15.738 -9.155) 18.207 8.429 ( 0.000 -3.289 -7.758) 8.427 8.561 ( 0.000 -0.263 -3.536) 3.546 8.578 ( 0.000 -0.912 -0.121) 0.920 8.711 ( 0.000 4.077 7.368) 8.421 8.786 ( 0.000 -2.758 2.985) 4.064 9.112 ( 0.000 -0.037 -1.465) 1.465 9.122 ( 0.000 1.821 3.349) 3.812 9.164 ( 0.000 -4.537 -0.517) 4.566 9.166 ( 0.000 -2.357 4.055) 4.690 9.389 ( 0.000 5.583 2.262) 6.024 9.468 ( 0.000 -2.373 5.471) 5.963 9.498 ( 0.000 2.024 -1.259) 2.383 9.536 ( 0.000 -2.061 -1.435) 2.511 9.633 ( 0.000 1.052 1.126) 1.541 9.669 ( 0.000 -2.074 3.077) 3.710 9.907 ( 0.000 2.083 8.317) 8.573 9.955 ( 0.000 -2.125 8.416) 8.681 9.988 ( 0.000 2.061 -1.570) 2.591 10.038 ( 0.000 -2.599 -4.369) 5.084 10.972 ( 0.000 3.255 1.933) 3.786 11.043 ( 0.000 -3.670 -0.975) 3.798 11.108 ( 0.000 0.619 -3.026) 3.088 11.111 ( 0.000 0.237 -2.726) 2.736 11.167 ( 0.000 0.113 1.167) 1.172 11.190 ( 0.000 -1.739 -0.537) 1.820 11.991 ( 0.000 3.263 5.266) 6.195 12.063 ( 0.000 -3.948 5.251) 6.570 12.343 ( 0.000 0.171 9.045) 9.047 12.414 ( 0.000 -8.637 10.699) 13.750 12.693 ( 0.000 3.974 12.137) 12.771 12.798 ( 0.000 -5.583 8.622) 10.272 13.797 ( 0.000 1.698 6.418) 6.638 13.823 ( 0.000 0.660 1.619) 1.748 14.311 ( 0.000 3.380 4.839) 5.903 14.366 ( 0.000 -1.984 3.388) 3.927 14.398 ( 0.000 7.765 -6.271) 9.981 14.553 ( 0.000 -6.766 -8.202) 10.633 14.686 ( 0.000 -0.257 -3.372) 3.382 14.699 ( 0.000 0.432 -5.101) 5.120 14.895 ( 0.000 7.274 -1.158) 7.366 15.013 ( 0.000 -4.676 -3.238) 5.687 15.018 ( 0.000 13.227 1.124) 13.275 15.168 ( 0.000 2.048 -12.887) 13.049 15.198 ( 0.000 -5.503 -2.035) 5.867 15.406 ( 0.000 -23.282 -0.712) 23.293 15.587 ( 0.000 2.199 -6.441) 6.806 15.648 ( 0.000 -7.032 -1.524) 7.196 15.846 ( 0.000 4.005 0.044) 4.006 15.919 ( 0.000 -2.951 0.804) 3.058 16.667 ( 0.000 -0.343 1.216) 1.264 16.680 ( 0.000 -0.673 -1.605) 1.740 16.711 ( 0.000 0.328 3.828) 3.842 16.712 ( 0.000 0.092 3.770) 3.771 16.812 ( 0.000 -0.256 6.645) 6.650 16.821 ( 0.000 -1.420 0.795) 1.627 16.980 ( 0.000 4.599 5.601) 7.247 17.096 ( 0.000 -8.355 8.810) 12.141 17.338 ( 0.000 19.567 -5.334) 20.281 17.663 ( 0.000 -14.698 -4.375) 15.335 17.868 ( 0.000 4.840 -3.839) 6.178 17.899 ( 0.000 1.453 -5.053) 5.258 17.979 ( 0.000 -1.391 -3.336) 3.614 17.996 ( 0.000 -2.885 -2.122) 3.581 18.491 ( 0.000 6.953 -8.701) 11.138 18.527 ( 0.000 0.754 -9.414) 9.444 18.859 ( 0.000 8.495 -15.609) 17.771 18.904 ( 0.000 0.189 -3.769) 3.773 18.937 ( 0.000 -1.140 1.396) 1.802 19.044 ( 0.000 -8.461 -1.644) 8.619 19.091 ( 0.000 1.424 -3.490) 3.769 19.097 ( 0.000 0.480 -4.989) 5.012 19.559 ( 0.000 8.765 -11.106) 14.148 19.696 ( 0.000 -2.232 1.227) 2.548 19.788 ( 0.000 -6.329 3.065) 7.032 19.796 ( 0.000 -3.287 3.205) 4.591 19.922 ( 0.000 2.611 0.940) 2.775 19.955 ( 0.000 -1.325 0.766) 1.530 20.199 ( 0.000 3.431 2.780) 4.416 20.282 ( 0.000 -5.709 6.723) 8.820 20.511 ( 0.000 3.929 4.658) 6.094 20.531 ( 0.000 2.385 1.898) 3.048 20.836 ( 0.000 0.766 0.681) 1.025 20.861 ( 0.000 -1.918 0.671) 2.032 ======================= Grid point 29 (14/40) ======================= q-point: ( 0.17 0.33 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 81 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.600 ( 7.236 11.573 12.132) 18.262 0.833 ( 6.615 -3.329 13.079) 15.030 0.868 ( 5.263 10.496 10.545) 15.781 1.118 ( 4.317 -10.155 22.029) 24.638 1.201 ( 8.654 19.379 20.045) 29.194 1.517 ( -1.635 5.916 6.146) 8.686 1.601 ( 2.000 6.763 4.812) 8.538 1.644 ( -4.989 9.109 9.493) 14.071 1.833 ( 0.839 -10.209 9.567) 14.016 1.870 ( 1.409 -21.576 7.637) 22.931 1.931 ( -7.157 -0.536 8.829) 11.378 1.965 ( -2.877 -0.866 12.476) 12.833 2.012 ( -7.438 -2.328 6.637) 10.237 2.034 ( -4.714 -5.642 10.605) 12.904 2.188 ( -0.575 1.336 4.646) 4.868 2.261 ( -3.046 -6.275 3.278) 7.707 2.346 ( 2.520 -0.242 6.151) 6.651 2.397 ( 2.538 -4.354 5.621) 7.550 2.631 ( -5.603 5.310 0.960) 7.779 2.678 ( -8.138 0.420 2.134) 8.424 2.787 ( -3.910 -3.445 3.829) 6.467 2.813 ( -0.242 -5.120 6.558) 8.324 3.095 ( -5.189 6.368 0.263) 8.218 3.177 ( -0.793 -0.027 -2.370) 2.499 3.231 ( 0.866 13.313 -1.098) 13.386 3.276 ( -5.955 8.210 -4.308) 11.019 3.462 ( -3.417 -7.512 -3.497) 8.963 3.475 ( -4.709 -6.248 -5.578) 9.608 3.565 ( -5.467 2.694 -7.521) 9.681 3.615 ( -5.670 4.962 -6.268) 9.801 3.637 ( -0.857 -1.178 -7.077) 7.226 3.743 ( 1.747 -4.321 -5.207) 6.988 3.794 ( -5.947 -1.354 -6.434) 8.866 3.824 ( -1.701 -4.082 -8.816) 9.863 3.935 ( -0.622 3.540 -3.959) 5.347 4.010 ( -3.215 5.573 -2.643) 6.956 4.052 ( 1.692 -4.973 -2.887) 5.994 4.100 ( 0.267 0.700 -0.272) 0.797 4.190 ( -4.274 -4.986 0.275) 6.573 4.237 ( -4.487 -6.329 2.047) 8.024 4.256 ( 0.980 5.267 -0.298) 5.366 4.400 ( 0.347 -6.829 -1.418) 6.983 4.467 ( -3.759 4.364 4.127) 7.086 4.530 ( -0.884 -1.934 0.399) 2.163 4.572 ( -0.948 3.225 -7.324) 8.059 4.611 ( 0.825 0.514 -8.261) 8.318 4.718 ( -3.026 2.481 -0.198) 3.918 4.776 ( -3.126 -1.649 -4.737) 5.911 4.894 ( 0.752 9.580 -7.488) 12.183 5.022 ( -0.980 0.434 -6.853) 6.936 5.067 ( 8.814 2.407 -0.968) 9.188 5.152 ( -1.034 0.513 -3.622) 3.802 5.166 ( 5.250 -5.400 -6.570) 9.994 5.246 ( 6.073 -5.168 -1.105) 8.051 5.405 ( 1.307 -1.079 0.499) 1.766 5.421 ( 2.310 -1.377 -1.316) 2.995 5.594 ( -2.605 11.323 3.843) 12.238 5.665 ( 0.878 6.001 4.311) 7.441 5.733 ( 0.224 1.959 1.615) 2.549 5.817 ( -1.676 -4.512 3.332) 5.854 5.889 ( 2.300 1.525 3.704) 4.619 5.955 ( -0.495 -4.002 2.546) 4.769 5.994 ( 1.673 2.745 5.749) 6.587 6.019 ( 0.193 0.702 3.582) 3.655 6.055 ( 1.049 1.295 0.426) 1.720 6.120 ( -0.676 -4.918 1.399) 5.157 6.375 ( -0.770 3.373 -5.365) 6.384 6.401 ( 1.678 -0.746 -3.807) 4.227 6.528 ( 1.044 7.972 1.158) 8.123 6.616 ( 2.533 -1.572 -1.321) 3.261 6.721 ( 2.592 6.196 2.826) 7.287 6.901 ( -2.851 -9.932 -2.573) 10.649 7.002 ( -5.700 -0.475 -4.566) 7.319 7.024 ( -7.134 -1.633 -4.541) 8.613 7.295 ( -9.420 4.666 -0.877) 10.549 7.355 ( -5.180 4.866 2.047) 7.396 7.396 ( -5.489 0.142 -1.619) 5.724 7.498 ( -4.077 -2.092 0.692) 4.634 7.634 ( -3.650 -2.477 3.851) 5.856 7.680 ( -2.599 -5.814 3.566) 7.299 7.962 ( 0.314 7.180 -0.652) 7.216 8.006 ( -3.944 3.924 -0.535) 5.589 8.079 ( -0.162 -0.519 2.415) 2.476 8.149 ( -1.300 -7.465 -0.699) 7.610 8.236 ( 3.690 8.110 2.805) 9.341 8.419 ( 0.826 -7.350 0.353) 7.404 8.539 ( -0.012 6.013 -0.137) 6.015 8.666 ( 4.480 -5.910 -1.418) 7.551 8.811 ( 6.861 2.674 6.427) 9.774 8.849 ( 6.225 -0.295 3.748) 7.272 9.145 ( 2.768 2.350 3.068) 4.754 9.178 ( 3.654 1.253 2.668) 4.695 9.207 ( 3.219 0.669 2.859) 4.357 9.290 ( 6.870 -5.296 -3.779) 9.462 9.450 ( 3.263 1.024 -0.827) 3.518 9.482 ( 0.049 -1.724 0.583) 1.821 9.531 ( 3.043 2.244 2.655) 4.620 9.577 ( 3.765 -1.050 -0.305) 3.921 9.647 ( 1.057 1.971 0.544) 2.302 9.712 ( 3.341 -3.591 1.798) 5.224 9.943 ( 3.010 4.000 4.075) 6.455 9.999 ( 3.663 -1.041 2.933) 4.807 10.034 ( -0.115 -0.586 -4.021) 4.065 10.036 ( 4.357 -1.437 -0.558) 4.622 11.024 ( 5.118 2.038 1.046) 5.608 11.066 ( 4.154 -2.215 -0.312) 4.718 11.147 ( 4.115 1.099 -2.291) 4.836 11.160 ( 4.926 -0.350 -2.451) 5.513 11.231 ( 5.567 4.544 -0.416) 7.198 11.346 ( 9.326 -6.949 -6.802) 13.473 11.928 ( -5.999 3.338 4.785) 8.368 12.000 ( -6.034 -3.889 4.812) 8.642 12.343 ( 0.099 -0.490 8.446) 8.461 12.387 ( -1.834 -5.979 10.698) 12.392 12.652 ( -3.917 5.318 11.168) 12.975 12.772 ( -3.112 -6.428 7.453) 10.322 13.804 ( 0.728 2.207 6.535) 6.936 13.832 ( 0.850 1.050 1.989) 2.405 14.258 ( -5.252 1.004 5.709) 7.822 14.287 ( -7.327 -2.071 4.007) 8.604 14.389 ( -0.745 8.891 -3.490) 9.580 14.559 ( 0.367 -7.440 -7.459) 10.542 14.686 ( -3.054 5.032 -4.320) 7.301 14.722 ( 1.776 0.940 -4.138) 4.600 14.836 ( -12.926 -0.330 9.080) 15.800 14.861 ( -7.568 0.680 -2.292) 7.937 14.928 ( -4.917 6.509 1.169) 8.241 15.079 ( -5.200 -5.718 -0.362) 7.737 15.128 ( -0.455 0.985 -1.818) 2.117 15.242 ( 3.486 -6.671 -1.753) 7.728 15.557 ( -3.231 1.526 -5.892) 6.891 15.575 ( -2.839 -0.070 -4.711) 5.501 16.036 ( 14.195 10.556 -5.722) 18.592 16.275 ( 14.786 -15.085 -5.458) 21.816 16.687 ( 0.681 -0.338 2.246) 2.371 16.710 ( 1.640 -1.844 -1.294) 2.786 16.749 ( 2.691 1.035 1.337) 3.178 16.775 ( 5.868 -1.106 3.568) 6.956 16.887 ( 5.900 1.168 1.211) 6.135 16.906 ( 7.479 -0.681 1.669) 7.693 17.025 ( 4.179 3.457 5.636) 7.822 17.132 ( 3.228 -7.809 8.612) 12.065 17.340 ( 0.424 17.035 -4.436) 17.608 17.618 ( -3.680 -11.097 -2.820) 12.027 17.865 ( -2.810 2.253 -4.492) 5.757 17.905 ( 1.471 -0.158 -4.522) 4.758 17.932 ( -2.645 0.799 -3.087) 4.143 18.000 ( 0.276 -3.378 -2.557) 4.246 18.406 ( -4.910 9.069 -9.092) 13.748 18.516 ( -2.502 -3.183 -8.617) 9.521 18.792 ( -7.693 5.314 -7.170) 11.783 18.842 ( -2.672 6.216 -9.011) 11.269 18.894 ( -4.605 -2.546 1.035) 5.363 19.021 ( -2.700 -4.521 -2.623) 5.883 19.095 ( -0.331 -1.064 -3.553) 3.724 19.140 ( 1.135 -3.380 -4.788) 5.970 19.474 ( -7.826 4.954 -1.394) 9.366 19.490 ( -15.275 1.251 13.806) 20.627 19.575 ( -10.420 6.002 2.663) 12.316 19.754 ( -4.724 -10.514 0.009) 11.527 19.870 ( -0.837 1.562 -0.447) 1.828 19.909 ( -1.164 -2.837 -0.634) 3.132 20.149 ( -3.480 6.739 5.176) 9.183 20.263 ( -2.992 -5.663 7.737) 10.044 20.564 ( 3.622 3.409 0.046) 4.974 20.610 ( 3.308 -1.185 -2.757) 4.467 20.820 ( -1.703 0.590 0.514) 1.874 20.838 ( -2.165 -1.322 0.635) 2.615 ======================= Grid point 30 (15/40) ======================= q-point: ( 0.33 0.33 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 82 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.829 ( 13.073 8.751 8.975) 18.111 1.007 ( 9.292 3.379 12.458) 15.905 1.026 ( 9.105 3.420 9.087) 13.311 1.202 ( 2.584 -4.044 20.156) 20.720 1.329 ( 0.437 9.673 13.008) 16.217 1.472 ( -4.166 5.719 7.113) 10.033 1.517 ( -5.005 14.260 9.786) 18.005 1.641 ( 2.394 1.301 4.950) 5.651 1.753 ( -12.069 -6.355 3.431) 14.065 1.777 ( -4.011 -6.404 5.291) 9.225 1.789 ( -4.823 -6.080 10.326) 12.918 1.894 ( -3.184 -16.420 1.831) 16.826 2.059 ( 8.128 2.661 10.731) 13.722 2.067 ( 10.210 1.133 9.807) 14.202 2.201 ( 3.027 -3.550 5.863) 7.492 2.234 ( 1.537 -6.642 3.307) 7.577 2.343 ( -3.032 0.219 7.140) 7.760 2.391 ( -3.176 -4.681 5.527) 7.908 2.541 ( 1.334 4.608 1.001) 4.900 2.587 ( -0.867 0.022 -0.535) 1.019 2.724 ( -3.347 -3.813 4.326) 6.667 2.752 ( -7.752 -4.597 2.401) 9.326 2.933 ( -10.780 3.433 -1.265) 11.384 3.003 ( -13.597 -3.549 -2.396) 14.255 3.227 ( -0.300 12.710 -4.075) 13.350 3.241 ( -0.176 13.587 -1.119) 13.634 3.333 ( -4.528 3.486 -5.324) 7.810 3.407 ( -2.335 -4.018 -6.755) 8.199 3.473 ( -2.808 -3.321 -2.735) 5.138 3.489 ( -3.501 -3.456 -4.437) 6.625 3.552 ( -7.654 4.158 -2.764) 9.139 3.652 ( -7.248 -5.871 -0.862) 9.367 3.801 ( 2.354 -0.434 -5.438) 5.941 3.842 ( 1.885 -4.611 -5.622) 7.512 3.900 ( -4.487 5.548 -1.749) 7.347 3.943 ( 0.569 5.693 -2.341) 6.182 4.023 ( -3.071 0.480 -1.608) 3.500 4.076 ( -1.144 -0.783 1.448) 2.005 4.148 ( 0.733 -8.058 0.972) 8.149 4.185 ( -0.609 -10.659 1.491) 10.780 4.307 ( 3.841 5.243 -1.545) 6.681 4.422 ( 0.859 -0.186 0.937) 1.285 4.443 ( 1.120 0.235 1.462) 1.856 4.531 ( 0.121 0.427 -1.107) 1.192 4.561 ( -0.465 5.766 -5.263) 7.820 4.619 ( -3.933 2.045 -1.697) 4.746 4.648 ( 1.199 -2.020 -7.615) 7.969 4.703 ( -2.692 -2.151 -5.624) 6.596 4.876 ( -1.830 9.987 -0.870) 10.191 4.999 ( -5.187 11.008 0.684) 12.188 5.079 ( 0.795 1.272 -6.091) 6.273 5.162 ( -0.401 -12.617 -1.628) 12.728 5.286 ( 5.894 -0.039 0.910) 5.964 5.381 ( 3.440 -1.639 0.103) 3.812 5.461 ( 3.338 -3.262 -2.220) 5.168 5.489 ( 4.168 -1.201 -2.661) 5.089 5.564 ( -0.179 0.499 -1.458) 1.552 5.649 ( -3.604 -1.737 0.406) 4.021 5.688 ( -2.048 3.160 2.201) 4.362 5.767 ( -2.441 -2.373 4.327) 5.506 5.923 ( 0.851 1.741 2.767) 3.378 5.985 ( -0.787 1.098 2.395) 2.749 6.004 ( 0.960 -2.272 -1.002) 2.662 6.046 ( -0.184 -2.023 -0.238) 2.045 6.140 ( 6.248 6.370 3.540) 9.599 6.240 ( 13.648 -2.306 4.440) 14.536 6.358 ( -1.546 9.465 -3.483) 10.203 6.487 ( 5.952 -2.543 -4.976) 8.164 6.575 ( 4.173 2.586 0.816) 4.977 6.646 ( -0.648 -2.449 -0.802) 2.657 6.792 ( 2.249 1.124 3.120) 4.007 6.840 ( -0.403 -1.146 -1.934) 2.284 6.855 ( -6.379 -0.154 -1.393) 6.531 6.939 ( -1.286 -7.151 -2.652) 7.734 7.083 ( -10.869 5.881 0.345) 12.363 7.197 ( -9.381 -6.208 0.034) 11.249 7.310 ( -2.002 9.192 2.828) 9.823 7.411 ( -4.067 3.617 0.815) 5.504 7.542 ( -4.026 -7.496 3.644) 9.256 7.602 ( -4.482 -9.353 2.239) 10.610 7.953 ( -0.784 7.356 1.126) 7.483 7.967 ( -0.069 8.389 0.881) 8.436 8.085 ( 0.871 -5.251 1.129) 5.441 8.138 ( -0.519 -8.750 -0.058) 8.766 8.339 ( 5.581 7.916 2.806) 10.084 8.481 ( 3.638 -2.105 2.908) 5.111 8.529 ( -0.681 4.115 1.894) 4.581 8.684 ( -2.226 -7.972 1.680) 8.445 8.990 ( 9.420 2.281 4.997) 10.905 9.012 ( 8.003 -0.014 4.551) 9.206 9.194 ( 0.803 0.775 5.768) 5.875 9.220 ( -0.095 -1.461 4.710) 4.932 9.282 ( 3.910 6.372 1.960) 7.729 9.389 ( 2.555 -1.853 -1.176) 3.368 9.452 ( -1.088 -1.290 2.336) 2.882 9.503 ( 0.462 -3.861 0.934) 3.999 9.590 ( 2.356 3.279 2.438) 4.716 9.638 ( 0.915 3.672 0.734) 3.855 9.675 ( 2.448 -3.087 -0.236) 3.947 9.763 ( 0.691 -6.963 -0.077) 6.998 10.005 ( 2.523 6.078 -0.800) 6.630 10.036 ( 0.637 5.058 -3.448) 6.155 10.089 ( 4.218 -2.580 -2.306) 5.456 10.128 ( 3.220 -3.911 -2.251) 5.544 11.165 ( 7.781 2.129 -0.523) 8.084 11.210 ( 8.890 -2.509 -0.961) 9.288 11.295 ( 9.887 1.494 -1.478) 10.108 11.316 ( 7.580 0.866 -1.056) 7.702 11.331 ( 5.198 4.516 -1.268) 7.002 11.472 ( 1.782 -8.109 -7.288) 11.047 11.753 ( -10.456 3.401 3.257) 11.468 11.820 ( -10.961 -3.492 3.622) 12.060 12.342 ( 0.374 0.766 8.763) 8.804 12.391 ( 2.855 -3.953 8.046) 9.409 12.535 ( -6.945 6.094 9.133) 12.991 12.659 ( -7.413 -6.336 6.625) 11.789 13.829 ( 1.595 4.048 6.966) 8.213 13.855 ( 1.260 3.687 2.865) 4.836 14.103 ( -7.858 -5.122 10.114) 13.794 14.122 ( -6.812 -4.384 5.413) 9.743 14.384 ( 0.564 10.579 -0.494) 10.606 14.507 ( -6.601 11.521 4.275) 13.949 14.565 ( 0.454 -7.640 -5.541) 9.449 14.678 ( -6.259 -6.623 -3.398) 9.726 14.779 ( 3.315 2.151 -3.667) 5.391 14.838 ( 4.218 -3.435 -1.181) 5.566 14.889 ( -1.502 5.684 -1.703) 6.121 15.009 ( -3.043 -6.119 -2.217) 7.184 15.193 ( 5.311 6.877 -2.192) 8.961 15.327 ( 4.414 -6.365 -2.190) 8.049 15.460 ( -5.776 2.857 -4.370) 7.786 15.507 ( -3.802 -1.650 -4.133) 5.853 16.324 ( 13.061 8.351 -6.418) 16.779 16.503 ( 8.209 -10.094 -3.122) 13.380 16.684 ( -1.178 -2.088 2.241) 3.281 16.688 ( -3.228 -3.439 -3.050) 5.617 16.834 ( 4.054 6.638 1.924) 8.012 16.931 ( 3.036 1.650 1.168) 3.647 16.946 ( 5.396 0.786 1.278) 5.601 17.058 ( 4.811 -5.647 2.006) 7.685 17.151 ( 7.724 3.504 3.965) 9.363 17.222 ( 4.883 -3.491 5.606) 8.213 17.349 ( -0.289 10.118 -0.808) 10.154 17.512 ( -7.098 -5.275 -0.044) 8.843 17.824 ( 0.397 1.859 -4.344) 4.742 17.871 ( -0.428 -2.659 -3.888) 4.729 17.944 ( -0.163 0.208 -3.912) 3.921 17.986 ( -2.261 -2.633 -3.447) 4.891 18.347 ( -0.219 7.121 -8.881) 11.386 18.466 ( -0.893 -4.367 -6.636) 7.994 18.597 ( -9.930 5.103 -3.275) 11.635 18.732 ( -9.676 -7.475 -4.310) 12.965 18.801 ( -1.396 8.378 -4.369) 9.552 18.956 ( -2.870 -3.517 -0.969) 4.641 19.000 ( -7.017 -0.664 0.486) 7.065 19.085 ( -5.229 -5.355 1.180) 7.577 19.311 ( -2.310 5.942 5.318) 8.302 19.399 ( -5.687 10.821 -0.984) 12.264 19.431 ( 2.805 -4.361 2.291) 5.669 19.643 ( -5.615 -13.053 -0.816) 14.233 19.883 ( 2.153 3.522 0.963) 4.238 19.931 ( 2.851 -0.827 -0.595) 3.027 20.065 ( -4.425 5.946 4.658) 8.754 20.166 ( -5.847 -4.467 4.795) 8.783 20.632 ( 3.019 1.581 -1.600) 3.765 20.658 ( 2.071 -1.044 -2.835) 3.663 20.767 ( -3.165 0.417 -0.108) 3.195 20.778 ( -3.327 -0.710 -0.220) 3.409 ======================= Grid point 31 (16/40) ======================= q-point: (-0.50 0.33 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 54 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.082 ( -8.956 5.583 11.750) 15.794 1.082 ( 8.956 5.583 11.750) 15.794 1.179 ( -4.368 -2.210 14.590) 15.389 1.179 ( 4.368 -2.210 14.590) 15.390 1.324 ( -5.975 15.270 7.963) 18.229 1.324 ( 5.975 15.270 7.963) 18.229 1.534 ( -6.512 0.161 8.525) 10.729 1.534 ( 6.512 0.161 8.525) 10.729 1.710 ( -2.753 -5.885 3.390) 7.328 1.710 ( 2.753 -5.885 3.390) 7.328 1.783 ( -4.532 -9.073 6.223) 11.899 1.783 ( 4.532 -9.073 6.223) 11.899 2.243 ( -4.460 0.636 6.125) 7.603 2.243 ( 4.460 0.636 6.125) 7.603 2.276 ( -6.632 -3.208 3.924) 8.347 2.276 ( 6.632 -3.208 3.924) 8.347 2.398 ( -10.574 0.625 3.493) 11.154 2.398 ( 10.574 0.625 3.493) 11.154 2.454 ( -11.925 -4.775 2.882) 13.164 2.454 ( 11.925 -4.775 2.882) 13.164 2.690 ( -9.080 4.275 -0.846) 10.072 2.690 ( 9.080 4.275 -0.846) 10.072 2.774 ( -6.325 -5.663 0.502) 8.505 2.774 ( 6.326 -5.663 0.502) 8.505 3.231 ( -0.792 13.524 -2.516) 13.779 3.231 ( 0.792 13.524 -2.516) 13.779 3.347 ( -4.175 1.974 -2.716) 5.358 3.347 ( 4.175 1.974 -2.716) 5.358 3.440 ( -0.478 -0.810 -2.580) 2.746 3.440 ( 0.478 -0.810 -2.580) 2.746 3.509 ( -5.127 -5.786 -0.141) 7.732 3.509 ( 5.127 -5.786 -0.141) 7.732 3.831 ( -1.676 2.474 -2.714) 4.036 3.831 ( 1.676 2.474 -2.714) 4.036 3.905 ( -3.118 -3.065 -5.377) 6.930 3.905 ( 3.118 -3.065 -5.377) 6.930 4.042 ( -2.394 4.175 -0.511) 4.840 4.042 ( 2.394 4.175 -0.511) 4.840 4.171 ( -1.082 -10.208 1.283) 10.345 4.171 ( 1.082 -10.208 1.283) 10.345 4.392 ( -3.485 4.969 -0.203) 6.073 4.392 ( 3.485 4.969 -0.203) 6.073 4.506 ( -3.610 -4.323 -0.139) 5.634 4.506 ( 3.610 -4.323 -0.139) 5.634 4.552 ( -1.332 7.938 -4.035) 9.003 4.552 ( 1.332 7.938 -4.035) 9.003 4.682 ( -0.688 -4.153 -5.382) 6.832 4.682 ( 0.688 -4.153 -5.382) 6.833 4.879 ( -3.582 13.940 1.030) 14.430 4.879 ( 3.582 13.940 1.030) 14.430 5.131 ( -2.269 -10.515 -3.694) 11.374 5.131 ( 2.269 -10.515 -3.694) 11.374 5.384 ( -3.312 1.733 0.286) 3.749 5.384 ( 3.312 1.733 0.286) 3.749 5.493 ( -1.754 -9.839 -0.719) 10.020 5.493 ( 1.754 -9.839 -0.719) 10.020 5.597 ( -2.955 6.568 1.452) 7.347 5.597 ( 2.955 6.568 1.452) 7.347 5.706 ( -3.200 -4.429 1.294) 5.615 5.706 ( 3.200 -4.429 1.294) 5.615 5.950 ( -1.602 5.150 -0.376) 5.407 5.950 ( 1.602 5.150 -0.376) 5.407 6.030 ( -1.031 -3.796 0.537) 3.970 6.030 ( 1.031 -3.796 0.537) 3.970 6.273 ( -5.615 13.289 0.307) 14.430 6.273 ( 5.615 13.289 0.307) 14.430 6.494 ( -7.720 -9.279 -2.153) 12.262 6.494 ( 7.720 -9.279 -2.153) 12.262 6.691 ( -8.480 2.675 1.502) 9.018 6.691 ( 8.480 2.675 1.502) 9.018 6.739 ( -6.402 -2.628 -0.354) 6.929 6.739 ( 6.402 -2.628 -0.354) 6.929 6.896 ( -5.031 5.441 -0.990) 7.477 6.896 ( 5.031 5.441 -0.990) 7.477 7.014 ( -7.162 -7.346 0.034) 10.259 7.014 ( 7.162 -7.346 0.034) 10.259 7.325 ( -3.368 9.550 2.198) 10.363 7.325 ( 3.368 9.550 2.198) 10.363 7.522 ( -2.262 -11.640 2.824) 12.189 7.522 ( 2.262 -11.640 2.824) 12.189 7.957 ( -0.720 9.088 1.527) 9.244 7.957 ( 0.720 9.088 1.527) 9.244 8.114 ( -1.588 -8.306 0.517) 8.472 8.114 ( 1.588 -8.306 0.517) 8.472 8.448 ( -4.448 9.081 1.515) 10.225 8.448 ( 4.448 9.081 1.515) 10.225 8.603 ( -5.001 -7.300 3.531) 9.528 8.603 ( 5.001 -7.300 3.531) 9.528 9.136 ( -1.185 1.931 4.944) 5.438 9.136 ( 1.185 1.931 4.944) 5.438 9.172 ( -1.958 -1.799 5.472) 6.084 9.172 ( 1.958 -1.799 5.472) 6.084 9.363 ( -3.564 5.852 2.697) 7.363 9.363 ( 3.564 5.852 2.697) 7.363 9.479 ( -2.278 -5.890 1.330) 6.453 9.479 ( 2.278 -5.890 1.330) 6.453 9.628 ( -1.292 4.634 1.311) 4.986 9.628 ( 1.292 4.634 1.311) 4.986 9.736 ( -2.728 -6.872 -0.329) 7.401 9.736 ( 2.728 -6.872 -0.329) 7.401 10.041 ( -0.760 7.294 -2.725) 7.824 10.041 ( 0.760 7.294 -2.725) 7.824 10.149 ( -1.192 -4.216 -3.798) 5.798 10.149 ( 1.192 -4.216 -3.798) 5.798 11.304 ( -4.400 4.585 -1.466) 6.521 11.304 ( 4.400 4.585 -1.466) 6.521 11.401 ( -7.682 -5.202 -2.645) 9.647 11.401 ( 7.682 -5.202 -2.645) 9.647 11.521 ( -10.309 2.370 -0.071) 10.578 11.521 ( 10.309 2.370 -0.071) 10.578 11.569 ( -11.915 -2.462 1.701) 12.285 11.569 ( 11.915 -2.462 1.701) 12.285 12.398 ( -5.230 4.499 8.160) 10.686 12.398 ( 5.230 4.499 8.160) 10.686 12.498 ( -7.149 -5.346 6.853) 11.254 12.498 ( 7.149 -5.346 6.853) 11.254 13.863 ( -1.111 7.649 5.865) 9.702 13.863 ( 1.111 7.649 5.865) 9.702 14.027 ( -1.193 -9.705 7.306) 12.206 14.027 ( 1.193 -9.705 7.306) 12.206 14.417 ( -2.704 11.005 1.555) 11.439 14.417 ( 2.704 11.005 1.555) 11.439 14.591 ( -2.392 -7.199 -3.969) 8.562 14.591 ( 2.392 -7.199 -3.969) 8.562 14.843 ( -2.687 4.307 -3.376) 6.097 14.843 ( 2.687 4.307 -3.376) 6.097 14.934 ( -4.259 -4.768 -2.472) 6.854 14.934 ( 4.259 -4.768 -2.472) 6.854 15.324 ( -6.777 5.315 -2.889) 9.084 15.324 ( 6.777 5.315 -2.889) 9.084 15.421 ( -4.338 -4.236 -2.831) 6.692 15.421 ( 4.338 -4.236 -2.831) 6.692 16.558 ( -8.665 1.761 -4.419) 9.885 16.558 ( 8.665 1.761 -4.419) 9.885 16.634 ( -3.706 -5.535 -0.804) 6.710 16.634 ( 3.706 -5.535 -0.804) 6.710 16.897 ( -2.315 10.252 1.266) 10.586 16.897 ( 2.315 10.252 1.266) 10.586 17.090 ( -2.756 -10.257 2.649) 10.946 17.090 ( 2.756 -10.257 2.649) 10.946 17.294 ( -4.960 4.101 1.798) 6.682 17.294 ( 4.960 4.101 1.798) 6.682 17.338 ( -7.564 0.546 2.441) 7.967 17.338 ( 7.564 0.546 2.441) 7.967 17.891 ( -4.493 -0.159 -4.346) 6.253 17.891 ( 4.493 -0.159 -4.346) 6.253 17.915 ( -3.648 -2.089 -3.462) 5.446 17.915 ( 3.648 -2.089 -3.462) 5.446 18.404 ( -5.645 6.782 -6.644) 11.046 18.404 ( 5.645 6.782 -6.644) 11.046 18.544 ( -6.395 -8.106 -3.397) 10.869 18.544 ( 6.395 -8.106 -3.397) 10.869 18.841 ( -5.245 7.945 -1.011) 9.574 18.841 ( 5.245 7.945 -1.011) 9.574 18.983 ( -3.565 -7.708 0.140) 8.494 18.983 ( 3.565 -7.708 0.140) 8.494 19.317 ( -2.155 10.860 0.860) 11.105 19.317 ( 2.155 10.860 0.860) 11.105 19.528 ( -5.379 -11.620 -0.157) 12.806 19.528 ( 5.379 -11.620 -0.157) 12.806 19.949 ( -3.476 6.588 2.408) 7.829 19.949 ( 3.476 6.588 2.408) 7.829 20.045 ( -4.885 -3.659 2.096) 6.453 20.045 ( 4.885 -3.659 2.096) 6.453 20.695 ( -2.584 0.858 -1.376) 3.051 20.695 ( 2.584 0.858 -1.376) 3.051 20.712 ( -2.227 -0.849 -1.363) 2.745 20.712 ( 2.227 -0.849 -1.363) 2.745 ======================= Grid point 42 (17/40) ======================= q-point: ( 0.00 0.00 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 40 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.863 ( 0.000 0.000 24.580) 24.580 0.875 ( 0.000 0.000 21.321) 21.321 1.268 ( 0.000 0.000 15.275) 15.275 1.341 ( 0.000 0.000 13.443) 13.443 1.675 ( 0.000 0.000 26.650) 26.650 1.679 ( 0.000 0.000 18.330) 18.330 1.710 ( 0.000 0.000 11.504) 11.504 1.834 ( 0.000 0.000 8.891) 8.891 2.133 ( 0.000 0.000 12.146) 12.146 2.176 ( 0.000 0.000 0.239) 0.239 2.231 ( 0.000 0.000 9.455) 9.455 2.262 ( 0.000 0.000 7.061) 7.061 2.363 ( 0.000 0.000 18.165) 18.165 2.398 ( 0.000 0.000 13.520) 13.520 2.457 ( 0.000 0.000 7.475) 7.475 2.459 ( 0.000 0.000 6.480) 6.480 2.488 ( 0.000 0.000 15.133) 15.133 2.553 ( 0.000 0.000 4.945) 4.945 2.713 ( 0.000 0.000 -1.073) 1.073 2.796 ( 0.000 0.000 -2.161) 2.161 2.820 ( 0.000 0.000 -4.171) 4.171 2.949 ( 0.000 0.000 -0.152) 0.152 3.003 ( 0.000 0.000 0.778) 0.778 3.049 ( 0.000 0.000 8.336) 8.336 3.147 ( 0.000 0.000 -2.434) 2.434 3.286 ( 0.000 0.000 -5.247) 5.247 3.338 ( 0.000 0.000 -10.288) 10.288 3.395 ( 0.000 0.000 -9.516) 9.516 3.418 ( 0.000 0.000 -9.211) 9.211 3.463 ( 0.000 0.000 -10.533) 10.533 3.574 ( 0.000 0.000 -8.680) 8.680 3.625 ( 0.000 0.000 -11.056) 11.056 3.713 ( 0.000 0.000 2.142) 2.142 3.793 ( 0.000 0.000 -11.212) 11.212 3.809 ( 0.000 0.000 5.029) 5.029 3.930 ( 0.000 0.000 -10.547) 10.547 3.930 ( 0.000 0.000 -2.148) 2.148 3.980 ( 0.000 0.000 -4.059) 4.059 4.171 ( 0.000 0.000 -4.786) 4.786 4.173 ( 0.000 0.000 -5.193) 5.193 4.273 ( 0.000 0.000 -8.499) 8.499 4.342 ( 0.000 0.000 -7.396) 7.396 4.350 ( 0.000 0.000 -10.272) 10.272 4.508 ( 0.000 0.000 -2.975) 2.975 4.536 ( 0.000 0.000 4.972) 4.972 4.584 ( 0.000 0.000 -10.119) 10.119 4.687 ( 0.000 0.000 -3.294) 3.294 4.805 ( 0.000 0.000 4.315) 4.315 4.809 ( 0.000 0.000 5.020) 5.020 4.939 ( 0.000 0.000 -11.861) 11.861 4.943 ( 0.000 0.000 5.295) 5.295 4.996 ( 0.000 0.000 -7.207) 7.207 5.003 ( 0.000 0.000 -3.795) 3.795 5.223 ( 0.000 0.000 3.393) 3.393 5.423 ( 0.000 0.000 5.545) 5.545 5.500 ( 0.000 0.000 4.180) 4.180 5.528 ( 0.000 0.000 2.934) 2.934 5.721 ( 0.000 0.000 -1.031) 1.031 5.738 ( 0.000 0.000 5.216) 5.216 5.859 ( 0.000 0.000 -2.828) 2.828 5.969 ( 0.000 0.000 -6.346) 6.346 6.007 ( 0.000 0.000 9.619) 9.619 6.014 ( 0.000 0.000 -0.492) 0.492 6.049 ( 0.000 0.000 6.204) 6.204 6.122 ( 0.000 0.000 6.535) 6.535 6.157 ( 0.000 0.000 -2.910) 2.910 6.336 ( 0.000 0.000 -1.266) 1.266 6.438 ( 0.000 0.000 2.802) 2.802 6.468 ( 0.000 0.000 6.352) 6.352 6.483 ( 0.000 0.000 -4.302) 4.302 6.673 ( 0.000 0.000 1.505) 1.505 6.897 ( 0.000 0.000 -6.124) 6.124 6.933 ( 0.000 0.000 -10.450) 10.450 7.046 ( 0.000 0.000 -4.841) 4.841 7.298 ( 0.000 0.000 2.465) 2.465 7.299 ( 0.000 0.000 -6.885) 6.885 7.398 ( 0.000 0.000 -3.642) 3.642 7.544 ( 0.000 0.000 -2.851) 2.851 7.730 ( 0.000 0.000 0.993) 0.993 7.859 ( 0.000 0.000 -0.614) 0.614 7.896 ( 0.000 0.000 7.706) 7.706 8.084 ( 0.000 0.000 0.982) 0.982 8.155 ( 0.000 0.000 3.620) 3.620 8.167 ( 0.000 0.000 5.083) 5.083 8.205 ( 0.000 0.000 -7.089) 7.089 8.329 ( 0.000 0.000 -1.108) 1.108 8.642 ( 0.000 0.000 6.118) 6.118 8.642 ( 0.000 0.000 3.760) 3.760 8.798 ( 0.000 0.000 -1.965) 1.965 8.859 ( 0.000 0.000 9.750) 9.750 9.136 ( 0.000 0.000 0.703) 0.703 9.185 ( 0.000 0.000 4.567) 4.567 9.208 ( 0.000 0.000 1.207) 1.207 9.305 ( 0.000 0.000 6.370) 6.370 9.343 ( 0.000 0.000 1.992) 1.992 9.394 ( 0.000 0.000 -4.751) 4.751 9.491 ( 0.000 0.000 -4.182) 4.182 9.604 ( 0.000 0.000 -0.387) 0.387 9.682 ( 0.000 0.000 8.464) 8.464 9.763 ( 0.000 0.000 2.727) 2.727 9.905 ( 0.000 0.000 -8.292) 8.292 9.949 ( 0.000 0.000 -0.598) 0.598 10.107 ( 0.000 0.000 11.796) 11.796 10.193 ( 0.000 0.000 11.277) 11.277 10.968 ( 0.000 0.000 -0.117) 0.117 11.009 ( 0.000 0.000 -3.068) 3.068 11.036 ( 0.000 0.000 -2.819) 2.819 11.051 ( 0.000 0.000 -2.625) 2.625 11.163 ( 0.000 0.000 -1.728) 1.728 11.172 ( 0.000 0.000 -2.608) 2.608 12.105 ( 0.000 0.000 8.569) 8.569 12.232 ( 0.000 0.000 6.719) 6.719 12.558 ( 0.000 0.000 12.332) 12.332 12.601 ( 0.000 0.000 4.774) 4.774 12.964 ( 0.000 0.000 12.993) 12.993 13.045 ( 0.000 0.000 10.132) 10.132 13.812 ( 0.000 0.000 2.919) 2.919 13.909 ( 0.000 0.000 3.532) 3.532 14.275 ( 0.000 0.000 -4.266) 4.266 14.314 ( 0.000 0.000 -3.804) 3.804 14.414 ( 0.000 0.000 -11.354) 11.354 14.417 ( 0.000 0.000 1.614) 1.614 14.536 ( 0.000 0.000 -3.505) 3.505 14.654 ( 0.000 0.000 -3.255) 3.255 14.666 ( 0.000 0.000 -12.326) 12.326 14.874 ( 0.000 0.000 -7.543) 7.543 14.917 ( 0.000 0.000 2.353) 2.353 15.018 ( 0.000 0.000 -1.512) 1.512 15.218 ( 0.000 0.000 -4.269) 4.269 15.395 ( 0.000 0.000 -8.337) 8.337 15.439 ( 0.000 0.000 -6.890) 6.890 15.601 ( 0.000 0.000 -9.266) 9.266 15.895 ( 0.000 0.000 -5.012) 5.012 15.990 ( 0.000 0.000 3.089) 3.089 16.660 ( 0.000 0.000 2.411) 2.411 16.743 ( 0.000 0.000 -1.967) 1.967 16.756 ( 0.000 0.000 2.553) 2.553 16.810 ( 0.000 0.000 6.329) 6.329 16.818 ( 0.000 0.000 6.182) 6.182 17.022 ( 0.000 0.000 11.505) 11.505 17.030 ( 0.000 0.000 5.717) 5.717 17.164 ( 0.000 0.000 3.267) 3.267 17.424 ( 0.000 0.000 8.413) 8.413 17.711 ( 0.000 0.000 -5.476) 5.476 17.756 ( 0.000 0.000 -6.862) 6.862 17.816 ( 0.000 0.000 1.448) 1.448 17.888 ( 0.000 0.000 -5.839) 5.839 17.922 ( 0.000 0.000 -7.548) 7.548 18.252 ( 0.000 0.000 -4.017) 4.017 18.300 ( 0.000 0.000 -9.920) 9.920 18.522 ( 0.000 0.000 -11.049) 11.049 18.799 ( 0.000 0.000 -4.778) 4.778 18.853 ( 0.000 0.000 -17.252) 17.252 18.971 ( 0.000 0.000 2.109) 2.109 18.979 ( 0.000 0.000 -6.216) 6.216 19.129 ( 0.000 0.000 -9.342) 9.342 19.346 ( 0.000 0.000 10.942) 10.942 19.765 ( 0.000 0.000 1.945) 1.945 19.830 ( 0.000 0.000 -3.671) 3.671 19.838 ( 0.000 0.000 -1.380) 1.380 19.936 ( 0.000 0.000 1.695) 1.695 20.072 ( 0.000 0.000 -3.452) 3.452 20.206 ( 0.000 0.000 10.240) 10.240 20.441 ( 0.000 0.000 0.651) 0.651 20.502 ( 0.000 0.000 1.281) 1.281 20.557 ( 0.000 0.000 5.202) 5.202 20.823 ( 0.000 0.000 -1.903) 1.903 20.864 ( 0.000 0.000 -2.251) 2.251 ======================= Grid point 43 (18/40) ======================= q-point: ( 0.17 0.00 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 54 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.844 ( 0.795 0.000 18.343) 18.361 0.921 ( 5.148 0.000 22.309) 22.895 1.244 ( -0.277 0.000 11.316) 11.319 1.437 ( 4.335 0.000 9.751) 10.671 1.613 ( -5.830 0.000 12.779) 14.046 1.687 ( 2.069 0.000 27.430) 27.508 1.728 ( 1.757 0.000 10.899) 11.039 1.854 ( 0.792 0.000 15.883) 15.902 2.051 ( -9.044 0.000 0.385) 9.052 2.091 ( -3.259 0.000 10.299) 10.802 2.187 ( -4.180 0.000 11.635) 12.363 2.226 ( -6.928 0.000 1.451) 7.079 2.349 ( -6.511 0.000 12.212) 13.839 2.355 ( 0.319 0.000 16.895) 16.898 2.375 ( -0.218 0.000 12.683) 12.685 2.435 ( -7.165 0.000 5.900) 9.281 2.523 ( 2.480 0.000 7.696) 8.086 2.530 ( 0.024 0.000 7.434) 7.434 2.657 ( -1.707 0.000 4.160) 4.496 2.788 ( -0.900 0.000 -4.285) 4.378 2.870 ( -0.029 0.000 -7.425) 7.425 2.881 ( -8.526 0.000 5.873) 10.353 2.937 ( 0.328 0.000 1.527) 1.561 3.023 ( -4.683 0.000 1.116) 4.814 3.136 ( -3.688 0.000 -8.001) 8.810 3.152 ( -6.688 0.000 -0.727) 6.727 3.270 ( -8.203 0.000 -11.395) 14.040 3.290 ( -5.319 0.000 -9.857) 11.200 3.423 ( 1.396 0.000 -2.818) 3.145 3.463 ( -1.673 0.000 -7.348) 7.536 3.523 ( -0.354 0.000 -3.762) 3.779 3.663 ( 3.022 0.000 -9.092) 9.581 3.710 ( -3.469 0.000 -5.232) 6.278 3.772 ( 1.368 0.000 -0.935) 1.656 3.865 ( 1.987 0.000 0.760) 2.127 3.906 ( -1.367 0.000 -4.476) 4.680 3.934 ( -0.660 0.000 -2.806) 2.883 4.053 ( 4.649 0.000 -4.714) 6.621 4.140 ( -1.498 0.000 -2.228) 2.684 4.247 ( 4.573 0.000 -10.064) 11.054 4.299 ( -1.644 0.000 -7.341) 7.523 4.318 ( 0.822 0.000 -3.943) 4.028 4.444 ( 4.509 0.000 -5.954) 7.468 4.445 ( -2.504 0.000 0.769) 2.619 4.486 ( -1.458 0.000 -1.810) 2.324 4.598 ( 0.973 0.000 -7.857) 7.917 4.604 ( -6.888 0.000 2.918) 7.480 4.705 ( -3.313 0.000 -4.690) 5.742 4.853 ( -1.335 0.000 3.105) 3.380 4.906 ( -1.444 0.000 -1.341) 1.970 4.970 ( -2.894 0.000 0.993) 3.060 5.084 ( 7.935 0.000 -3.608) 8.717 5.136 ( 13.580 0.000 -5.775) 14.757 5.327 ( 6.939 0.000 5.213) 8.679 5.385 ( -1.799 0.000 -1.385) 2.270 5.446 ( -3.333 0.000 3.717) 4.992 5.560 ( 2.628 0.000 1.705) 3.132 5.663 ( -3.534 0.000 2.321) 4.228 5.734 ( -0.312 0.000 5.049) 5.059 5.859 ( -0.171 0.000 -2.296) 2.303 5.947 ( -1.577 0.000 -4.606) 4.869 5.996 ( 0.078 0.000 6.429) 6.430 6.034 ( 1.162 0.000 -0.712) 1.363 6.084 ( 1.252 0.000 3.858) 4.056 6.152 ( 1.424 0.000 0.389) 1.476 6.231 ( 7.550 0.000 7.174) 10.415 6.293 ( -4.759 0.000 2.091) 5.198 6.412 ( -1.255 0.000 -1.746) 2.150 6.459 ( 2.743 0.000 2.051) 3.426 6.564 ( 3.880 0.000 -0.694) 3.942 6.718 ( 3.942 0.000 0.325) 3.955 6.795 ( -7.122 0.000 -7.440) 10.299 6.899 ( -3.650 0.000 -7.042) 7.932 7.013 ( -2.762 0.000 -5.048) 5.755 7.229 ( -5.991 0.000 -3.503) 6.940 7.284 ( -1.268 0.000 2.795) 3.069 7.357 ( -4.348 0.000 -4.346) 6.147 7.494 ( -4.646 0.000 -1.143) 4.785 7.731 ( -0.570 0.000 0.902) 1.067 7.846 ( -1.485 0.000 -0.963) 1.770 7.880 ( -1.028 0.000 5.300) 5.399 7.998 ( -6.726 0.000 1.549) 6.902 8.138 ( 2.969 0.000 -1.242) 3.218 8.154 ( 0.728 0.000 3.216) 3.297 8.315 ( -0.868 0.000 -0.965) 1.298 8.329 ( 4.790 0.000 1.529) 5.028 8.655 ( 1.303 0.000 5.870) 6.013 8.782 ( 11.533 0.000 3.583) 12.077 8.824 ( 1.574 0.000 -1.082) 1.910 8.968 ( 8.694 0.000 8.928) 12.461 9.169 ( 3.312 0.000 2.245) 4.001 9.235 ( 4.288 0.000 3.686) 5.654 9.273 ( 4.922 0.000 -1.233) 5.074 9.330 ( 1.138 0.000 6.474) 6.574 9.431 ( 3.716 0.000 -3.816) 5.327 9.431 ( 7.318 0.000 -0.280) 7.323 9.499 ( 0.947 0.000 -3.619) 3.741 9.605 ( -0.002 0.000 -0.660) 0.660 9.686 ( 0.281 0.000 7.574) 7.579 9.804 ( 3.522 0.000 2.211) 4.159 9.891 ( -1.422 0.000 -7.503) 7.637 9.992 ( 3.544 0.000 -1.227) 3.750 10.083 ( -1.998 0.000 10.944) 11.125 10.196 ( -0.059 0.000 9.616) 9.616 11.015 ( 4.203 0.000 -0.671) 4.256 11.052 ( 4.872 0.000 -1.984) 5.261 11.088 ( 5.090 0.000 -1.793) 5.396 11.114 ( 6.447 0.000 -2.148) 6.795 11.196 ( 3.504 0.000 -1.111) 3.675 11.265 ( 6.673 0.000 -5.023) 8.352 12.029 ( -7.240 0.000 7.836) 10.669 12.159 ( -7.054 0.000 6.152) 9.359 12.550 ( -0.788 0.000 11.441) 11.468 12.574 ( -1.909 0.000 5.525) 5.845 12.900 ( -5.991 0.000 12.745) 14.083 12.997 ( -4.613 0.000 9.132) 10.231 13.822 ( 1.011 0.000 3.447) 3.592 13.927 ( 1.559 0.000 4.135) 4.419 14.251 ( -2.131 0.000 -3.991) 4.524 14.309 ( -0.144 0.000 -2.441) 2.446 14.372 ( -3.964 0.000 1.699) 4.312 14.419 ( 0.298 0.000 -11.495) 11.499 14.532 ( -0.598 0.000 -3.792) 3.839 14.635 ( -3.369 0.000 -12.797) 13.233 14.660 ( 0.610 0.000 -3.141) 3.199 14.870 ( -3.598 0.000 1.098) 3.762 14.909 ( 3.819 0.000 -4.028) 5.551 14.991 ( -2.188 0.000 0.938) 2.380 15.256 ( 2.861 0.000 -4.715) 5.515 15.336 ( -6.677 0.000 -4.110) 7.841 15.432 ( -0.725 0.000 -6.405) 6.446 15.482 ( -11.482 0.000 0.654) 11.501 15.801 ( 9.369 0.000 -2.298) 9.647 16.307 ( 14.614 0.000 -7.915) 16.620 16.696 ( 1.531 0.000 2.407) 2.852 16.715 ( 1.785 0.000 -1.339) 2.231 16.813 ( 0.067 0.000 5.373) 5.373 16.887 ( 5.915 0.000 6.474) 8.770 16.908 ( 10.496 0.000 0.989) 10.542 16.999 ( -2.698 0.000 9.831) 10.195 17.083 ( 4.750 0.000 5.301) 7.118 17.196 ( 3.091 0.000 3.136) 4.404 17.410 ( -1.031 0.000 7.579) 7.649 17.671 ( -3.824 0.000 -2.652) 4.654 17.731 ( -2.313 0.000 -6.493) 6.893 17.816 ( -1.246 0.000 -3.538) 3.751 17.884 ( 1.278 0.000 -3.083) 3.337 17.914 ( -0.551 0.000 -7.524) 7.544 18.152 ( -5.429 0.000 -6.012) 8.100 18.329 ( -0.429 0.000 -8.691) 8.701 18.472 ( -4.125 0.000 -12.087) 12.772 18.764 ( -6.954 0.000 -14.784) 16.338 18.792 ( -0.995 0.000 1.031) 1.433 18.992 ( 2.053 0.000 -0.172) 2.060 19.029 ( 1.973 0.000 -9.509) 9.712 19.101 ( -2.024 0.000 -6.467) 6.776 19.323 ( -2.202 0.000 8.637) 8.913 19.675 ( -8.391 0.000 5.168) 9.855 19.735 ( -13.762 0.000 8.333) 16.088 19.832 ( 0.793 0.000 -2.205) 2.343 19.847 ( 1.100 0.000 -0.496) 1.207 19.957 ( -8.722 0.000 -2.726) 9.138 20.177 ( -2.728 0.000 9.110) 9.510 20.483 ( -6.712 0.000 4.952) 8.341 20.490 ( 3.425 0.000 -2.239) 4.092 20.547 ( 2.573 0.000 -1.834) 3.160 20.803 ( -2.046 0.000 -2.198) 3.003 20.832 ( -2.986 0.000 -2.675) 4.009 ======================= Grid point 44 (19/40) ======================= q-point: ( 0.33 0.00 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 56 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.979 ( 11.737 0.000 11.490) 16.425 1.055 ( 7.488 0.000 16.776) 18.371 1.310 ( 3.793 0.000 4.350) 5.772 1.475 ( 1.665 0.000 7.087) 7.280 1.490 ( -2.285 0.000 12.560) 12.766 1.633 ( -11.520 0.000 15.732) 19.499 1.752 ( -4.329 0.000 7.555) 8.707 1.825 ( -4.288 0.000 17.559) 18.075 1.866 ( -4.008 0.000 2.093) 4.522 2.029 ( -2.119 0.000 9.760) 9.988 2.061 ( -4.008 0.000 0.814) 4.090 2.091 ( -4.396 0.000 11.933) 12.717 2.281 ( 2.152 0.000 13.973) 14.138 2.368 ( 0.179 0.000 15.639) 15.640 2.398 ( 1.695 0.000 7.512) 7.701 2.407 ( 3.835 0.000 7.240) 8.193 2.486 ( -3.094 0.000 5.705) 6.490 2.511 ( -3.151 0.000 4.537) 5.524 2.637 ( -5.288 0.000 6.996) 8.770 2.676 ( -1.950 0.000 0.057) 1.951 2.747 ( -5.994 0.000 -3.629) 7.007 2.823 ( -9.412 0.000 -6.089) 11.210 2.860 ( -3.683 0.000 0.243) 3.691 2.959 ( -1.248 0.000 -4.006) 4.196 2.983 ( -3.564 0.000 4.151) 5.471 3.058 ( -4.197 0.000 -2.750) 5.018 3.196 ( 1.361 0.000 -3.008) 3.302 3.297 ( 3.063 0.000 -3.953) 5.001 3.362 ( -5.070 0.000 -6.511) 8.253 3.478 ( -3.830 0.000 -3.004) 4.867 3.483 ( 2.329 0.000 3.045) 3.834 3.664 ( -2.249 0.000 -4.681) 5.193 3.710 ( 1.449 0.000 -5.280) 5.475 3.777 ( -0.736 0.000 -2.596) 2.698 3.880 ( -0.535 0.000 -2.639) 2.692 3.884 ( 0.149 0.000 3.157) 3.161 3.920 ( -0.654 0.000 -1.853) 1.965 4.024 ( -5.337 0.000 -1.305) 5.494 4.218 ( 0.553 0.000 -3.836) 3.875 4.231 ( 5.878 0.000 -3.846) 7.025 4.276 ( 0.191 0.000 -7.273) 7.275 4.339 ( -1.144 0.000 -1.535) 1.914 4.442 ( -3.902 0.000 -0.979) 4.023 4.480 ( 0.090 0.000 -1.851) 1.853 4.516 ( 1.911 0.000 -4.761) 5.130 4.516 ( 0.256 0.000 -2.090) 2.106 4.614 ( 3.063 0.000 0.070) 3.064 4.638 ( -2.095 0.000 -2.048) 2.929 4.781 ( -4.783 0.000 -1.354) 4.971 4.888 ( -4.952 0.000 3.545) 6.090 4.942 ( 4.576 0.000 -4.947) 6.739 5.240 ( -8.358 0.000 -5.773) 10.158 5.279 ( 9.818 0.000 -1.649) 9.955 5.404 ( 10.210 0.000 -0.798) 10.241 5.416 ( 3.293 0.000 2.782) 4.311 5.571 ( 4.763 0.000 4.371) 6.465 5.610 ( 2.629 0.000 2.770) 3.818 5.617 ( 3.018 0.000 -3.080) 4.312 5.737 ( 1.073 0.000 5.550) 5.653 5.832 ( -3.018 0.000 -2.792) 4.111 5.906 ( -2.965 0.000 1.113) 3.167 5.941 ( -5.427 0.000 4.527) 7.067 6.049 ( 0.338 0.000 -1.058) 1.111 6.128 ( 2.350 0.000 2.780) 3.640 6.149 ( -7.394 0.000 0.421) 7.406 6.170 ( 0.308 0.000 -0.757) 0.818 6.422 ( 1.931 0.000 -3.409) 3.918 6.454 ( 13.763 0.000 7.150) 15.510 6.571 ( 7.633 0.000 0.366) 7.642 6.583 ( -3.425 0.000 -3.949) 5.227 6.718 ( 1.365 0.000 -4.285) 4.497 6.798 ( 1.785 0.000 -1.516) 2.342 6.818 ( -3.195 0.000 -4.335) 5.385 6.959 ( -1.607 0.000 -5.566) 5.793 7.060 ( -9.487 0.000 1.193) 9.562 7.230 ( -7.408 0.000 -4.301) 8.566 7.256 ( -0.983 0.000 3.440) 3.577 7.373 ( -6.249 0.000 1.671) 6.469 7.713 ( -0.498 0.000 1.295) 1.387 7.793 ( -3.323 0.000 -0.219) 3.330 7.865 ( -0.418 0.000 2.687) 2.719 7.898 ( -2.941 0.000 1.021) 3.114 8.197 ( 2.974 0.000 1.621) 3.387 8.223 ( 4.775 0.000 0.300) 4.785 8.296 ( -1.174 0.000 -0.591) 1.314 8.373 ( -0.575 0.000 2.418) 2.485 8.700 ( 3.098 0.000 5.156) 6.015 8.828 ( -1.421 0.000 1.094) 1.794 9.034 ( 11.470 0.000 4.327) 12.259 9.163 ( 9.233 0.000 8.244) 12.378 9.263 ( 5.189 0.000 3.010) 5.999 9.318 ( 1.152 0.000 3.945) 4.110 9.333 ( -0.055 0.000 5.098) 5.098 9.365 ( 2.860 0.000 -1.300) 3.141 9.492 ( 2.267 0.000 -1.019) 2.486 9.534 ( 1.927 0.000 -3.950) 4.395 9.580 ( 4.435 0.000 1.424) 4.658 9.603 ( -0.192 0.000 -0.834) 0.856 9.699 ( 1.942 0.000 3.006) 3.579 9.847 ( -2.701 0.000 -4.651) 5.379 9.887 ( 4.039 0.000 1.724) 4.392 10.023 ( -2.482 0.000 7.333) 7.741 10.077 ( 3.031 0.000 -1.262) 3.283 10.180 ( -1.545 0.000 4.827) 5.068 11.127 ( 6.235 0.000 -1.415) 6.393 11.208 ( 8.845 0.000 -2.334) 9.148 11.254 ( 10.901 0.000 0.666) 10.922 11.264 ( 2.121 0.000 -0.949) 2.324 11.323 ( 13.345 0.000 -0.161) 13.346 11.386 ( 3.549 0.000 -5.769) 6.773 11.817 ( -12.695 0.000 5.987) 14.036 11.947 ( -13.051 0.000 4.566) 13.827 12.521 ( -0.752 0.000 9.327) 9.357 12.576 ( 2.260 0.000 7.500) 7.834 12.737 ( -8.759 0.000 12.077) 14.919 12.860 ( -8.154 0.000 7.429) 11.031 13.858 ( 2.536 0.000 4.814) 5.442 13.953 ( 0.203 0.000 6.074) 6.078 14.203 ( -1.739 0.000 -3.340) 3.766 14.280 ( -4.320 0.000 0.440) 4.343 14.322 ( 1.625 0.000 0.170) 1.634 14.422 ( -0.248 0.000 -8.974) 8.977 14.499 ( -2.526 0.000 -3.628) 4.421 14.543 ( -4.500 0.000 -10.798) 11.698 14.683 ( 1.659 0.000 -3.196) 3.601 14.794 ( -3.484 0.000 -1.358) 3.739 14.956 ( 0.369 0.000 3.207) 3.229 15.015 ( 3.993 0.000 -0.613) 4.040 15.175 ( -4.620 0.000 4.528) 6.469 15.316 ( 2.818 0.000 -5.168) 5.886 15.334 ( -5.390 0.000 -2.491) 5.938 15.409 ( -1.485 0.000 -5.608) 5.801 16.090 ( 16.489 0.000 -4.717) 17.151 16.546 ( 7.026 0.000 -6.878) 9.832 16.721 ( 1.713 0.000 0.298) 1.739 16.768 ( 1.376 0.000 0.871) 1.629 16.769 ( -4.501 0.000 4.698) 6.507 16.900 ( -5.398 0.000 8.291) 9.893 17.065 ( 10.752 0.000 4.735) 11.748 17.139 ( 10.387 0.000 0.539) 10.400 17.203 ( 6.084 0.000 4.390) 7.503 17.274 ( 3.362 0.000 2.650) 4.281 17.388 ( -1.554 0.000 4.936) 5.175 17.550 ( -8.243 0.000 -0.005) 8.243 17.700 ( 1.173 0.000 -5.897) 6.013 17.792 ( 0.333 0.000 -5.986) 5.995 17.888 ( -2.622 0.000 -7.097) 7.566 17.923 ( 0.130 0.000 -2.971) 2.974 18.083 ( 0.204 0.000 -7.203) 7.206 18.277 ( -4.235 0.000 -7.559) 8.664 18.393 ( -2.348 0.000 -13.640) 13.840 18.586 ( -9.565 0.000 -13.975) 16.934 18.781 ( 1.209 0.000 8.088) 8.178 19.006 ( -2.663 0.000 2.085) 3.383 19.017 ( -1.411 0.000 -7.096) 7.235 19.070 ( -1.946 0.000 -6.110) 6.412 19.261 ( -2.709 0.000 6.160) 6.729 19.429 ( -11.746 0.000 9.555) 15.141 19.576 ( -1.252 0.000 5.196) 5.344 19.782 ( -7.856 0.000 -3.683) 8.677 19.879 ( 3.314 0.000 1.641) 3.698 19.898 ( 4.170 0.000 1.659) 4.488 20.106 ( -3.479 0.000 5.799) 6.763 20.305 ( -9.675 0.000 3.730) 10.370 20.561 ( 3.498 0.000 -4.077) 5.372 20.594 ( 2.372 0.000 -3.235) 4.011 20.741 ( -3.760 0.000 -2.619) 4.582 20.749 ( -4.614 0.000 -3.658) 5.888 ======================= Grid point 45 (20/40) ======================= q-point: (-0.50 0.00 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 36 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.221 ( -8.065 0.000 10.421) 13.177 1.221 ( 8.065 0.000 10.421) 13.177 1.291 ( -17.326 0.000 8.256) 19.193 1.291 ( 17.326 0.000 8.256) 19.193 1.573 ( -7.434 0.000 4.940) 8.925 1.573 ( 7.434 0.000 4.940) 8.925 1.655 ( -11.648 0.000 11.876) 16.635 1.655 ( 11.648 0.000 11.876) 16.635 1.949 ( -6.536 0.000 5.178) 8.338 1.949 ( 6.536 0.000 5.178) 8.338 2.023 ( -1.697 0.000 10.058) 10.200 2.023 ( 1.697 0.000 10.058) 10.200 2.387 ( -3.805 0.000 6.467) 7.504 2.387 ( 3.805 0.000 6.467) 7.504 2.398 ( -3.104 0.000 7.364) 7.992 2.398 ( 3.104 0.000 7.364) 7.992 2.523 ( -9.423 0.000 4.623) 10.496 2.523 ( 9.423 0.000 4.623) 10.496 2.565 ( -8.215 0.000 4.330) 9.286 2.565 ( 8.215 0.000 4.330) 9.286 2.667 ( -1.363 0.000 3.651) 3.897 2.667 ( 1.363 0.000 3.651) 3.897 2.897 ( -3.927 0.000 -2.913) 4.889 2.897 ( 3.927 0.000 -2.913) 4.889 2.978 ( -2.489 0.000 2.088) 3.249 2.978 ( 2.489 0.000 2.088) 3.249 3.264 ( -4.180 0.000 -1.718) 4.519 3.264 ( 4.180 0.000 -1.718) 4.519 3.383 ( -4.845 0.000 -2.827) 5.609 3.383 ( 4.845 0.000 -2.827) 5.609 3.570 ( -5.922 0.000 0.072) 5.923 3.570 ( 5.922 0.000 0.072) 5.923 3.744 ( -1.970 0.000 -3.320) 3.861 3.744 ( 1.970 0.000 -3.320) 3.861 3.896 ( -1.555 0.000 -2.210) 2.702 3.896 ( 1.555 0.000 -2.210) 2.702 3.919 ( -3.720 0.000 0.606) 3.769 3.919 ( 3.720 0.000 0.606) 3.769 4.281 ( -3.825 0.000 -5.519) 6.715 4.281 ( 3.825 0.000 -5.519) 6.715 4.297 ( -1.974 0.000 -3.502) 4.020 4.297 ( 1.974 0.000 -3.502) 4.020 4.440 ( -5.809 0.000 0.789) 5.863 4.440 ( 5.809 0.000 0.789) 5.863 4.495 ( -1.746 0.000 -2.118) 2.745 4.495 ( 1.746 0.000 -2.118) 2.745 4.681 ( -4.496 0.000 -3.548) 5.727 4.681 ( 4.496 0.000 -3.548) 5.727 4.755 ( -7.754 0.000 2.300) 8.088 4.755 ( 7.754 0.000 2.300) 8.088 5.071 ( -7.495 0.000 -6.658) 10.025 5.071 ( 7.495 0.000 -6.658) 10.025 5.452 ( -5.251 0.000 1.156) 5.377 5.452 ( 5.251 0.000 1.156) 5.377 5.507 ( -4.649 0.000 2.760) 5.407 5.507 ( 4.649 0.000 2.760) 5.407 5.727 ( -6.437 0.000 -4.638) 7.934 5.727 ( 6.437 0.000 -4.638) 7.934 5.793 ( -8.555 0.000 4.406) 9.623 5.793 ( 8.555 0.000 4.406) 9.623 5.803 ( -5.225 0.000 5.512) 7.595 5.803 ( 5.225 0.000 5.512) 7.595 6.061 ( -1.476 0.000 -1.814) 2.338 6.061 ( 1.476 0.000 -1.814) 2.338 6.163 ( -1.020 0.000 0.896) 1.358 6.163 ( 1.020 0.000 0.896) 1.358 6.489 ( -4.409 0.000 -4.670) 6.422 6.489 ( 4.409 0.000 -4.670) 6.422 6.729 ( -4.829 0.000 -3.631) 6.042 6.729 ( 4.829 0.000 -3.631) 6.042 6.767 ( -12.759 0.000 4.687) 13.593 6.767 ( 12.759 0.000 4.687) 13.593 6.769 ( -2.285 0.000 -3.330) 4.038 6.769 ( 2.285 0.000 -3.330) 4.038 7.072 ( -7.061 0.000 -3.439) 7.854 7.072 ( 7.061 0.000 -3.439) 7.854 7.270 ( -2.936 0.000 3.443) 4.525 7.270 ( 2.936 0.000 3.443) 4.525 7.730 ( -2.217 0.000 0.801) 2.357 7.730 ( 2.217 0.000 0.801) 2.357 7.865 ( -0.564 0.000 1.444) 1.550 7.865 ( 0.564 0.000 1.444) 1.550 8.258 ( -2.572 0.000 0.283) 2.587 8.258 ( 2.572 0.000 0.283) 2.587 8.319 ( -4.089 0.000 1.451) 4.339 8.319 ( 4.089 0.000 1.451) 4.339 8.773 ( -3.515 0.000 3.435) 4.915 8.773 ( 3.515 0.000 3.435) 4.915 9.229 ( -6.959 0.000 5.730) 9.015 9.229 ( 6.959 0.000 5.730) 9.015 9.318 ( -4.137 0.000 5.514) 6.893 9.318 ( 4.137 0.000 5.514) 6.893 9.358 ( -3.216 0.000 1.941) 3.756 9.358 ( 3.216 0.000 1.941) 3.756 9.539 ( -1.661 0.000 -1.782) 2.436 9.539 ( 1.661 0.000 -1.782) 2.436 9.602 ( -0.239 0.000 0.580) 0.627 9.602 ( 0.239 0.000 0.580) 0.627 9.777 ( -4.131 0.000 -1.271) 4.322 9.777 ( 4.131 0.000 -1.271) 4.322 9.962 ( -3.214 0.000 3.516) 4.764 9.962 ( 3.214 0.000 3.516) 4.764 10.136 ( -2.524 0.000 0.005) 2.524 10.136 ( 2.524 0.000 0.005) 2.524 11.240 ( -3.709 0.000 -1.308) 3.933 11.240 ( 3.709 0.000 -1.308) 3.933 11.373 ( -4.910 0.000 -4.255) 6.497 11.373 ( 4.910 0.000 -4.255) 6.497 11.521 ( -13.181 0.000 3.457) 13.627 11.521 ( 13.181 0.000 3.457) 13.627 11.643 ( -14.635 0.000 2.407) 14.832 11.643 ( 14.635 0.000 2.407) 14.832 12.563 ( -4.902 0.000 10.788) 11.850 12.563 ( 4.902 0.000 10.788) 11.850 12.692 ( -6.807 0.000 6.868) 9.670 12.692 ( 6.807 0.000 6.868) 9.670 13.920 ( -2.958 0.000 6.440) 7.087 13.920 ( 2.958 0.000 6.440) 7.087 14.208 ( -2.256 0.000 -1.861) 2.924 14.208 ( 2.256 0.000 -1.861) 2.924 14.378 ( -3.450 0.000 0.760) 3.532 14.378 ( 3.450 0.000 0.760) 3.532 14.481 ( -1.451 0.000 -9.874) 9.980 14.481 ( 1.451 0.000 -9.874) 9.980 14.729 ( -2.744 0.000 -2.906) 3.997 14.729 ( 2.744 0.000 -2.906) 3.997 15.000 ( -3.210 0.000 2.479) 4.056 15.000 ( 3.210 0.000 2.479) 4.056 15.218 ( -5.661 0.000 -0.340) 5.671 15.218 ( 5.661 0.000 -0.340) 5.671 15.370 ( -2.275 0.000 -5.260) 5.731 15.370 ( 2.275 0.000 -5.260) 5.731 16.431 ( -14.938 0.000 -3.596) 15.365 16.431 ( 14.938 0.000 -3.596) 15.365 16.761 ( -1.693 0.000 0.814) 1.879 16.761 ( 1.693 0.000 0.814) 1.879 16.792 ( -5.264 0.000 4.404) 6.863 16.792 ( 5.264 0.000 4.404) 6.863 17.289 ( -2.673 0.000 2.221) 3.476 17.289 ( 2.673 0.000 2.221) 3.476 17.315 ( -5.231 0.000 2.707) 5.889 17.315 ( 5.231 0.000 2.707) 5.889 17.321 ( -12.960 0.000 2.533) 13.205 17.321 ( 12.960 0.000 2.533) 13.205 17.794 ( -6.010 0.000 -6.158) 8.605 17.794 ( 6.010 0.000 -6.158) 8.605 17.854 ( -4.844 0.000 -5.775) 7.538 17.854 ( 4.844 0.000 -5.775) 7.538 18.167 ( -5.902 0.000 -5.975) 8.399 18.167 ( 5.902 0.000 -5.975) 8.399 18.418 ( -5.267 0.000 -13.853) 14.821 18.418 ( 5.267 0.000 -13.853) 14.821 18.875 ( -7.437 0.000 8.364) 11.192 18.875 ( 7.437 0.000 8.364) 11.192 19.021 ( -1.869 0.000 -5.981) 6.266 19.021 ( 1.869 0.000 -5.981) 6.266 19.269 ( -3.803 0.000 7.048) 8.008 19.269 ( 3.803 0.000 7.048) 8.008 19.637 ( -5.820 0.000 -1.621) 6.042 19.637 ( 5.820 0.000 -1.621) 6.042 19.946 ( -2.053 0.000 5.010) 5.415 19.946 ( 2.053 0.000 5.010) 5.415 20.118 ( -6.818 0.000 1.622) 7.009 20.118 ( 6.818 0.000 1.622) 7.009 20.634 ( -1.999 0.000 -3.624) 4.139 20.634 ( 1.999 0.000 -3.624) 4.139 20.672 ( -1.160 0.000 -3.813) 3.986 20.672 ( 1.160 0.000 -3.813) 3.986 ======================= Grid point 49 (21/40) ======================= q-point: ( 0.00 0.33 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 56 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.927 ( 0.000 5.687 19.616) 20.423 1.075 ( 0.000 -8.201 15.529) 17.562 1.128 ( 0.000 20.149 18.520) 27.367 1.487 ( 0.000 -15.163 17.164) 22.902 1.535 ( 0.000 11.164 15.493) 19.096 1.718 ( 0.000 -6.306 9.516) 11.416 1.807 ( 0.000 13.960 21.135) 25.329 1.915 ( 0.000 8.084 8.986) 12.087 2.070 ( 0.000 -7.069 14.381) 16.024 2.100 ( 0.000 -15.141 12.800) 19.826 2.196 ( 0.000 1.976 2.727) 3.368 2.250 ( 0.000 2.566 9.760) 10.092 2.278 ( 0.000 -8.351 4.869) 9.667 2.329 ( 0.000 -5.051 13.488) 14.403 2.393 ( 0.000 -0.052 14.503) 14.503 2.425 ( 0.000 -5.146 9.431) 10.744 2.512 ( 0.000 2.030 14.014) 14.160 2.536 ( 0.000 0.116 11.358) 11.359 2.751 ( 0.000 6.668 0.389) 6.679 2.814 ( 0.000 -0.745 -4.995) 5.051 2.824 ( 0.000 1.392 -0.199) 1.406 2.942 ( 0.000 -9.344 6.440) 11.349 3.089 ( 0.000 8.257 -5.316) 9.820 3.115 ( 0.000 8.482 -3.620) 9.222 3.151 ( 0.000 -0.652 -2.630) 2.709 3.263 ( 0.000 -6.532 -9.707) 11.700 3.361 ( 0.000 9.104 -4.091) 9.980 3.453 ( 0.000 5.330 -8.057) 9.660 3.456 ( 0.000 1.754 -8.727) 8.902 3.473 ( 0.000 1.041 -10.025) 10.079 3.555 ( 0.000 -6.136 -9.665) 11.448 3.592 ( 0.000 -10.988 0.036) 10.988 3.635 ( 0.000 6.088 -7.778) 9.877 3.758 ( 0.000 -5.622 -10.585) 11.985 3.818 ( 0.000 1.648 0.862) 1.860 3.871 ( 0.000 -3.622 -4.771) 5.990 4.010 ( 0.000 6.652 0.216) 6.655 4.056 ( 0.000 3.777 -1.825) 4.195 4.163 ( 0.000 -0.286 -7.893) 7.898 4.206 ( 0.000 2.742 -2.254) 3.549 4.219 ( 0.000 -3.191 -9.046) 9.593 4.315 ( 0.000 -5.516 -3.837) 6.719 4.363 ( 0.000 1.639 -7.055) 7.243 4.433 ( 0.000 -7.778 2.418) 8.145 4.565 ( 0.000 6.243 -7.012) 9.388 4.621 ( 0.000 6.657 -9.687) 11.754 4.659 ( 0.000 -3.513 -4.174) 5.455 4.784 ( 0.000 -4.948 -1.569) 5.191 4.797 ( 0.000 -0.377 3.694) 3.713 4.824 ( 0.000 -6.474 -6.541) 9.203 4.899 ( 0.000 3.668 1.284) 3.886 4.987 ( 0.000 -3.779 -2.718) 4.655 5.090 ( 0.000 3.615 -1.531) 3.926 5.161 ( 0.000 -4.679 0.921) 4.769 5.446 ( 0.000 0.624 3.169) 3.230 5.469 ( 0.000 -2.082 4.239) 4.723 5.716 ( 0.000 11.281 0.419) 11.289 5.764 ( 0.000 1.174 3.367) 3.566 5.764 ( 0.000 4.917 -0.420) 4.935 5.859 ( 0.000 -0.584 -0.823) 1.009 5.952 ( 0.000 -1.617 2.279) 2.794 5.961 ( 0.000 -4.048 -0.507) 4.080 6.023 ( 0.000 2.172 0.460) 2.220 6.061 ( 0.000 -0.449 3.692) 3.719 6.117 ( 0.000 -0.142 4.775) 4.777 6.132 ( 0.000 -1.830 -0.706) 1.962 6.363 ( 0.000 2.396 1.319) 2.735 6.405 ( 0.000 -1.974 3.682) 4.178 6.519 ( 0.000 2.599 -3.642) 4.474 6.525 ( 0.000 2.402 0.431) 2.440 6.731 ( 0.000 6.551 1.331) 6.685 6.862 ( 0.000 -5.183 -4.534) 6.886 6.945 ( 0.000 0.798 -8.985) 9.021 6.969 ( 0.000 -3.562 -4.121) 5.447 7.315 ( 0.000 1.867 -6.595) 6.854 7.364 ( 0.000 -3.038 -5.220) 6.040 7.443 ( 0.000 10.785 0.454) 10.794 7.548 ( 0.000 -0.719 0.101) 0.726 7.735 ( 0.000 0.543 0.833) 0.994 7.776 ( 0.000 -4.639 1.414) 4.850 7.929 ( 0.000 2.304 0.714) 2.412 8.048 ( 0.000 -9.993 -3.813) 10.696 8.114 ( 0.000 1.584 -0.950) 1.847 8.146 ( 0.000 -1.145 2.498) 2.748 8.265 ( 0.000 9.264 5.722) 10.888 8.398 ( 0.000 0.256 1.587) 1.608 8.555 ( 0.000 -4.970 2.419) 5.527 8.586 ( 0.000 -4.564 0.541) 4.596 8.835 ( 0.000 2.586 1.430) 2.955 8.863 ( 0.000 -0.364 6.253) 6.263 9.118 ( 0.000 1.178 2.516) 2.778 9.166 ( 0.000 -2.628 2.175) 3.411 9.222 ( 0.000 2.192 5.373) 5.803 9.275 ( 0.000 -2.905 6.278) 6.918 9.389 ( 0.000 2.722 -2.696) 3.831 9.450 ( 0.000 -3.619 -3.611) 5.112 9.494 ( 0.000 8.356 1.422) 8.476 9.597 ( 0.000 -2.123 1.506) 2.603 9.676 ( 0.000 0.285 4.851) 4.859 9.716 ( 0.000 -3.509 1.379) 3.770 9.932 ( 0.000 1.681 -4.805) 5.091 9.949 ( 0.000 -0.222 -1.774) 1.788 10.128 ( 0.000 2.137 11.581) 11.776 10.171 ( 0.000 -2.174 11.382) 11.588 10.979 ( 0.000 1.077 -0.937) 1.427 11.000 ( 0.000 -0.984 -2.420) 2.612 11.041 ( 0.000 0.506 -3.076) 3.118 11.049 ( 0.000 -0.291 -2.940) 2.954 11.163 ( 0.000 0.044 -1.576) 1.577 11.167 ( 0.000 -0.371 -2.044) 2.077 12.135 ( 0.000 2.993 8.278) 8.803 12.198 ( 0.000 -3.297 7.389) 8.091 12.557 ( 0.000 0.321 11.293) 11.297 12.581 ( 0.000 -1.906 7.423) 7.664 12.963 ( 0.000 1.169 13.337) 13.389 13.011 ( 0.000 -3.170 11.231) 11.670 13.856 ( 0.000 2.854 1.578) 3.261 13.892 ( 0.000 -1.483 2.414) 2.833 14.265 ( 0.000 2.526 -7.304) 7.729 14.353 ( 0.000 -5.294 -9.313) 10.713 14.375 ( 0.000 3.489 -1.065) 3.648 14.421 ( 0.000 -1.263 -1.479) 1.945 14.570 ( 0.000 3.018 -5.076) 5.906 14.620 ( 0.000 -2.166 -3.054) 3.744 14.766 ( 0.000 8.991 -10.954) 14.172 14.934 ( 0.000 -8.054 -3.970) 8.979 14.971 ( 0.000 9.293 -3.957) 10.101 15.015 ( 0.000 10.834 -0.261) 10.837 15.142 ( 0.000 -8.016 -3.461) 8.731 15.285 ( 0.000 -14.903 -7.263) 16.578 15.442 ( 0.000 4.793 -6.936) 8.431 15.554 ( 0.000 -6.875 -6.590) 9.523 15.883 ( 0.000 3.334 2.693) 4.286 15.960 ( 0.000 -3.369 2.927) 4.463 16.668 ( 0.000 -0.408 0.437) 0.598 16.702 ( 0.000 -3.875 2.119) 4.416 16.800 ( 0.000 5.108 2.500) 5.687 16.821 ( 0.000 0.335 6.495) 6.503 16.832 ( 0.000 2.090 3.712) 4.260 16.925 ( 0.000 -5.470 4.362) 6.997 17.150 ( 0.000 7.423 10.172) 12.592 17.270 ( 0.000 2.887 5.552) 6.258 17.333 ( 0.000 2.156 4.764) 5.229 17.609 ( 0.000 -17.126 -1.664) 17.207 17.763 ( 0.000 3.814 -6.164) 7.248 17.780 ( 0.000 1.853 -6.500) 6.759 17.885 ( 0.000 -0.797 -5.376) 5.435 17.907 ( 0.000 -2.799 -6.112) 6.723 18.364 ( 0.000 6.946 -5.006) 8.562 18.368 ( 0.000 4.511 -6.760) 8.127 18.542 ( 0.000 3.691 -13.946) 14.426 18.680 ( 0.000 -8.810 -13.626) 16.226 18.915 ( 0.000 2.531 -9.082) 9.428 18.940 ( 0.000 -1.285 -3.112) 3.366 19.005 ( 0.000 1.076 -2.019) 2.287 19.043 ( 0.000 -4.452 -1.448) 4.682 19.512 ( 0.000 13.008 3.757) 13.539 19.721 ( 0.000 -7.282 0.896) 7.337 19.813 ( 0.000 -0.824 -1.277) 1.520 19.823 ( 0.000 -1.212 -0.663) 1.382 19.944 ( 0.000 0.717 0.913) 1.161 19.974 ( 0.000 -3.937 0.928) 4.045 20.290 ( 0.000 5.073 6.042) 7.890 20.380 ( 0.000 -4.905 3.803) 6.206 20.548 ( 0.000 3.506 0.158) 3.509 20.579 ( 0.000 0.526 1.747) 1.824 20.830 ( 0.000 0.818 -1.710) 1.896 20.851 ( 0.000 -1.212 -1.885) 2.241 ======================= Grid point 50 (22/40) ======================= q-point: ( 0.17 0.33 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 81 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.906 ( 1.023 6.592 16.505) 17.802 1.072 ( 1.031 -11.130 13.069) 17.197 1.165 ( 3.637 21.454 16.527) 27.325 1.510 ( 1.937 -12.500 15.138) 19.727 1.633 ( 5.582 9.089 11.725) 15.851 1.729 ( -0.281 1.775 8.975) 9.153 1.774 ( -2.298 11.009 21.970) 24.681 1.874 ( -3.315 2.740 9.428) 10.363 2.018 ( -5.767 -8.807 11.376) 15.500 2.042 ( -5.266 -12.848 7.664) 15.860 2.081 ( -7.199 1.235 7.168) 10.234 2.164 ( -5.738 -3.919 12.009) 13.874 2.286 ( 0.361 -2.434 7.729) 8.112 2.329 ( -0.205 -4.797 11.197) 12.183 2.365 ( -3.562 1.081 15.165) 15.615 2.401 ( -2.040 -3.701 11.992) 12.715 2.516 ( 0.836 2.745 10.120) 10.519 2.555 ( 0.130 0.079 8.399) 8.401 2.647 ( -5.785 2.160 0.269) 6.181 2.711 ( -7.558 -3.933 0.349) 8.527 2.870 ( 0.843 2.155 3.093) 3.863 2.940 ( -2.624 -3.386 4.104) 5.932 3.020 ( -8.267 5.916 -9.164) 13.687 3.068 ( -7.078 2.265 -10.780) 13.094 3.122 ( -0.440 1.226 -3.925) 4.136 3.183 ( -0.087 -1.388 -4.177) 4.403 3.308 ( -4.882 5.907 -7.239) 10.542 3.333 ( -6.592 6.829 -5.444) 10.942 3.437 ( -2.075 -3.228 -5.209) 6.470 3.464 ( -0.852 -0.732 -4.402) 4.543 3.516 ( -1.799 1.947 -6.325) 6.858 3.606 ( 2.274 -5.207 -9.567) 11.127 3.680 ( -0.677 -1.739 -2.894) 3.444 3.708 ( 0.454 -4.432 -2.504) 5.111 3.903 ( 3.663 3.718 0.077) 5.220 3.964 ( 1.326 4.638 -4.143) 6.359 3.983 ( 0.888 1.454 -1.708) 2.412 4.080 ( 1.946 1.080 -0.732) 2.343 4.139 ( -1.223 -0.031 -5.542) 5.676 4.220 ( -1.062 -3.016 -4.440) 5.471 4.243 ( -1.519 -1.645 -1.905) 2.940 4.301 ( 3.695 -2.277 -4.141) 5.999 4.421 ( 0.050 -1.129 -3.551) 3.726 4.435 ( 4.173 -1.478 -5.031) 6.701 4.506 ( -3.701 1.628 -1.605) 4.350 4.569 ( -4.543 -2.821 -1.487) 5.551 4.621 ( -1.855 2.404 -6.366) 7.053 4.678 ( -5.091 -1.106 -4.271) 6.736 4.808 ( 1.870 1.090 -2.558) 3.351 4.866 ( 0.758 -4.275 -5.017) 6.634 5.057 ( 3.375 0.957 -3.624) 5.044 5.084 ( 12.291 1.337 0.484) 12.373 5.120 ( 3.676 2.247 -0.837) 4.389 5.243 ( 6.533 -8.399 -0.484) 10.652 5.421 ( -2.385 1.568 2.307) 3.670 5.438 ( -1.484 -0.769 2.704) 3.179 5.644 ( -4.636 8.291 2.952) 9.947 5.745 ( -2.349 -1.797 1.124) 3.164 5.753 ( -0.579 8.190 1.582) 8.361 5.862 ( 0.668 -0.737 1.333) 1.663 5.923 ( -1.564 -0.499 -2.236) 2.773 5.974 ( 1.553 -3.433 2.201) 4.364 6.048 ( 0.233 1.601 -0.340) 1.653 6.092 ( 1.026 -1.728 0.394) 2.048 6.130 ( 1.507 1.222 3.125) 3.679 6.183 ( 5.782 -3.322 7.593) 10.105 6.333 ( -2.155 2.941 1.050) 3.794 6.381 ( -0.851 -2.174 1.095) 2.579 6.534 ( 2.164 4.775 -1.104) 5.357 6.577 ( 3.244 0.238 -1.355) 3.523 6.747 ( 1.743 3.627 0.246) 4.031 6.811 ( -4.355 -0.272 -5.402) 6.944 6.892 ( -3.885 -0.387 -6.284) 7.398 6.935 ( -3.142 -5.092 -3.935) 7.161 7.250 ( -5.763 2.449 -3.605) 7.226 7.312 ( -4.962 -3.782 -4.264) 7.557 7.407 ( -2.575 9.816 1.276) 10.228 7.514 ( -3.057 0.159 0.507) 3.103 7.684 ( -4.424 -3.234 0.697) 5.524 7.729 ( -4.068 -6.754 0.681) 7.914 7.949 ( 1.361 2.991 0.357) 3.306 7.998 ( -2.063 -1.187 -1.124) 2.632 8.109 ( -0.476 0.186 0.511) 0.723 8.151 ( -0.023 -3.543 2.286) 4.216 8.321 ( 3.872 8.325 4.404) 10.183 8.452 ( 4.457 2.635 1.353) 5.351 8.563 ( 0.799 -4.669 2.667) 5.436 8.657 ( 4.958 -8.218 -0.285) 9.602 8.916 ( 6.908 4.553 3.005) 8.802 8.965 ( 8.072 -0.978 6.355) 10.320 9.176 ( 5.038 2.155 2.102) 5.869 9.234 ( 5.652 -2.892 0.003) 6.349 9.268 ( 3.787 2.091 5.046) 6.646 9.315 ( 2.645 -2.227 5.835) 6.783 9.417 ( 2.893 1.543 -2.547) 4.151 9.465 ( 1.346 -2.951 -2.760) 4.259 9.540 ( 3.878 6.657 0.386) 7.714 9.616 ( 1.498 -0.483 0.280) 1.599 9.679 ( 0.149 0.520 4.311) 4.344 9.737 ( 1.621 -4.665 0.682) 4.985 9.941 ( 0.933 3.134 -3.974) 5.146 9.982 ( 2.800 -1.279 -2.068) 3.709 10.111 ( -1.455 2.826 10.493) 10.964 10.168 ( -0.481 -2.774 9.899) 10.292 11.024 ( 4.195 0.846 -1.078) 4.413 11.041 ( 4.407 -0.939 -1.691) 4.813 11.097 ( 5.672 0.731 -2.116) 6.098 11.109 ( 6.239 -0.476 -2.192) 6.630 11.211 ( 4.255 1.553 -1.797) 4.874 11.246 ( 5.848 -1.889 -3.821) 7.237 12.060 ( -7.150 3.090 7.565) 10.858 12.124 ( -7.051 -3.346 6.763) 10.327 12.545 ( -0.924 -0.017 10.711) 10.751 12.560 ( -1.509 -1.348 7.659) 7.921 12.907 ( -5.324 1.700 12.603) 13.787 12.961 ( -4.756 -3.375 10.319) 11.853 13.871 ( 1.441 3.396 2.050) 4.220 13.911 ( 1.802 -1.468 2.828) 3.661 14.244 ( -2.145 1.555 -5.857) 6.428 14.306 ( -3.938 -3.109 -3.775) 6.280 14.382 ( -0.100 1.818 -2.683) 3.242 14.413 ( -0.132 -0.837 -4.567) 4.645 14.566 ( -0.882 3.337 -5.437) 6.440 14.627 ( -0.587 -2.859 -6.761) 7.364 14.718 ( -3.131 8.682 -6.004) 11.011 14.896 ( -3.193 -8.220 -0.881) 8.862 14.939 ( -4.210 7.238 1.257) 8.467 15.006 ( 1.987 7.586 -3.919) 8.767 15.176 ( -4.465 -10.724 -3.134) 12.032 15.192 ( 0.865 -10.304 0.624) 10.360 15.418 ( -2.012 3.657 -6.576) 7.789 15.483 ( -3.895 -2.504 -4.053) 6.153 15.954 ( 9.568 12.513 -1.265) 15.803 16.179 ( 13.060 -11.276 -3.149) 17.539 16.683 ( 0.101 -0.154 -0.264) 0.322 16.727 ( 2.099 -2.419 1.769) 3.659 16.819 ( 2.655 2.773 4.693) 6.063 16.869 ( 4.976 -1.144 5.382) 7.419 16.934 ( 7.618 1.391 1.889) 7.971 16.958 ( 2.390 -1.753 4.257) 5.188 17.173 ( 2.387 6.743 8.462) 11.080 17.299 ( 2.389 -0.549 5.740) 6.242 17.325 ( -0.094 5.193 3.351) 6.181 17.583 ( -2.202 -13.158 -1.392) 13.414 17.756 ( -1.976 2.531 -5.993) 6.799 17.788 ( 0.704 -1.126 -6.576) 6.708 17.848 ( -1.819 1.754 -4.572) 5.224 17.909 ( -0.085 -3.495 -5.829) 6.797 18.253 ( -5.911 8.581 -6.600) 12.334 18.368 ( -2.945 -1.817 -6.511) 7.374 18.504 ( -3.360 6.553 -13.836) 15.674 18.654 ( -3.477 -7.844 -13.170) 15.718 18.867 ( -2.779 4.282 -1.371) 5.286 18.957 ( -0.701 -5.517 -4.301) 7.031 19.016 ( 1.259 1.515 -2.455) 3.148 19.054 ( 1.085 -2.297 -3.903) 4.657 19.477 ( -3.130 12.272 3.241) 13.073 19.656 ( -6.593 -4.422 3.097) 8.521 19.733 ( -12.156 0.582 8.128) 14.634 19.788 ( -6.334 -5.402 2.865) 8.804 19.850 ( 0.350 0.781 -1.304) 1.560 19.879 ( -2.986 -3.162 -1.502) 4.601 20.266 ( -3.010 6.686 6.098) 9.537 20.384 ( -2.203 -6.141 4.096) 7.703 20.551 ( -0.636 2.027 -1.656) 2.693 20.560 ( 0.731 0.794 -1.675) 1.993 20.808 ( -2.243 0.562 -2.119) 3.137 20.823 ( -2.737 -0.892 -2.356) 3.720 ======================= Grid point 51 (23/40) ======================= q-point: ( 0.33 0.33 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 82 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.036 ( 11.128 6.040 10.295) 16.319 1.180 ( 9.386 -8.943 7.432) 14.944 1.269 ( 6.030 18.731 12.737) 23.440 1.519 ( -3.764 3.319 9.430) 10.682 1.637 ( -1.992 -5.196 9.092) 10.660 1.669 ( -7.818 3.936 14.119) 16.612 1.743 ( -2.266 14.532 9.313) 17.408 1.767 ( -6.271 -7.571 6.254) 11.651 1.831 ( -7.483 -5.543 2.472) 9.635 1.952 ( -5.080 0.409 15.780) 16.582 1.989 ( 0.027 -9.180 9.630) 13.304 2.062 ( -4.256 -5.911 12.068) 14.096 2.297 ( 0.567 -2.477 8.172) 8.558 2.319 ( 1.132 -2.090 9.741) 10.027 2.351 ( 2.850 1.496 13.621) 13.996 2.402 ( 2.625 -2.479 10.985) 11.564 2.477 ( -5.156 -0.058 0.922) 5.238 2.496 ( -4.706 -1.804 4.649) 6.857 2.591 ( 0.584 0.055 3.419) 3.469 2.626 ( 2.055 -2.075 7.259) 7.824 2.776 ( -11.452 -0.380 -0.370) 11.465 2.797 ( -7.739 -1.939 1.328) 8.088 2.865 ( -6.468 3.062 -3.947) 8.173 2.921 ( -7.246 -0.841 -4.080) 8.359 3.118 ( 0.937 5.433 -4.618) 7.192 3.199 ( 2.252 -1.419 -3.694) 4.553 3.238 ( -2.797 11.666 -2.684) 12.293 3.289 ( 1.653 5.043 -1.736) 5.584 3.415 ( -1.022 -0.361 -4.430) 4.560 3.432 ( -1.337 -5.177 -1.268) 5.496 3.464 ( -3.050 1.833 -3.378) 4.906 3.583 ( -3.270 -7.604 -5.280) 9.818 3.716 ( 2.853 0.738 -3.121) 4.292 3.750 ( 3.185 -3.083 -1.659) 4.733 3.872 ( -4.895 4.232 -0.782) 6.518 3.936 ( -3.043 2.163 1.751) 4.124 3.981 ( -0.914 5.951 -2.165) 6.398 4.100 ( -2.342 0.300 0.741) 2.475 4.139 ( 2.310 -4.468 -2.737) 5.726 4.191 ( -2.386 -8.032 0.047) 8.379 4.252 ( 5.720 6.724 -3.409) 9.463 4.408 ( 3.330 -4.798 -2.815) 6.484 4.412 ( -0.032 4.162 -4.636) 6.230 4.467 ( -0.329 0.446 -2.770) 2.825 4.506 ( 1.821 -2.940 -5.147) 6.201 4.525 ( -0.532 -3.941 0.822) 4.061 4.551 ( -3.094 2.468 -4.138) 5.726 4.590 ( -2.573 -2.344 -4.045) 5.337 4.833 ( 0.752 4.357 -3.788) 5.822 4.917 ( 3.576 -3.471 -6.640) 8.302 5.016 ( -5.488 8.518 -1.156) 10.198 5.139 ( -4.502 -5.806 -1.423) 7.483 5.323 ( 8.638 1.329 2.223) 9.018 5.367 ( 5.545 1.119 -5.465) 7.865 5.450 ( 3.694 -5.044 1.700) 6.479 5.468 ( 5.960 -5.083 3.259) 8.484 5.582 ( -1.202 4.590 4.445) 6.502 5.684 ( -2.307 -5.209 3.055) 6.465 5.729 ( -2.198 7.697 1.386) 8.124 5.854 ( -3.468 -5.079 1.251) 6.276 5.915 ( 1.859 6.414 0.056) 6.678 5.989 ( -0.799 -0.017 1.328) 1.550 6.034 ( -0.517 -0.735 0.251) 0.933 6.063 ( -2.385 -3.548 0.566) 4.313 6.204 ( 3.726 7.499 2.335) 8.693 6.287 ( -0.217 6.862 -1.490) 7.025 6.344 ( 5.433 -6.118 2.271) 8.492 6.411 ( 3.879 -5.095 -2.415) 6.844 6.601 ( 4.463 2.878 0.973) 5.399 6.619 ( 1.260 1.478 -1.036) 2.200 6.758 ( 0.935 4.289 -4.160) 6.047 6.804 ( 1.292 0.594 -1.635) 2.167 6.818 ( -2.198 -0.324 -3.295) 3.974 6.871 ( -0.948 -7.196 -3.603) 8.103 7.089 ( -9.554 3.189 -0.114) 10.073 7.168 ( -8.426 -4.990 -2.392) 10.081 7.362 ( -1.275 9.366 2.195) 9.704 7.439 ( -3.797 5.152 1.227) 6.517 7.591 ( -3.492 -8.848 1.067) 9.572 7.636 ( -4.373 -9.961 0.666) 10.899 7.967 ( 0.601 5.258 0.389) 5.307 7.989 ( 0.397 5.691 1.002) 5.792 8.104 ( 0.345 -4.328 0.809) 4.416 8.147 ( -0.541 -6.425 1.256) 6.569 8.404 ( 4.129 10.003 2.925) 11.210 8.518 ( 0.465 9.951 0.629) 9.982 8.599 ( 3.274 -9.064 3.875) 10.387 8.714 ( 0.087 -9.852 0.465) 9.863 9.092 ( 9.162 4.055 5.025) 11.208 9.146 ( 8.667 -1.816 6.707) 11.109 9.295 ( 5.211 3.134 3.260) 6.899 9.333 ( 1.224 0.404 4.919) 5.085 9.339 ( -0.027 0.643 4.515) 4.561 9.359 ( 5.531 -1.522 -1.091) 5.840 9.472 ( 0.962 -0.402 -0.947) 1.408 9.499 ( 1.316 -2.601 -1.621) 3.335 9.617 ( 2.662 3.077 1.201) 4.242 9.653 ( 1.930 3.303 -1.826) 4.239 9.683 ( 0.792 -0.676 2.760) 2.950 9.760 ( 0.091 -5.467 0.122) 5.469 9.973 ( 2.029 5.026 -1.868) 5.733 10.041 ( 2.053 -1.419 -0.251) 2.509 10.076 ( -1.405 2.644 4.871) 5.718 10.146 ( -1.702 -3.485 5.279) 6.551 11.143 ( 6.842 1.621 -1.583) 7.207 11.180 ( 8.193 -2.199 -1.789) 8.670 11.280 ( 11.356 1.857 0.078) 11.507 11.289 ( 2.581 2.672 -1.843) 4.147 11.312 ( 12.648 -1.110 -0.233) 12.699 11.351 ( 3.137 -3.272 -4.424) 6.334 11.850 ( -12.641 3.193 5.684) 14.223 11.914 ( -12.838 -3.222 5.041) 14.164 12.529 ( 0.261 0.984 9.396) 9.451 12.558 ( 1.893 -1.785 8.216) 8.618 12.756 ( -8.526 2.598 11.268) 14.367 12.821 ( -8.231 -3.710 8.694) 12.534 13.917 ( 3.028 4.702 3.171) 6.429 13.960 ( 2.607 0.102 3.991) 4.768 14.174 ( -4.339 -1.820 -1.947) 5.092 14.199 ( -5.600 -4.511 0.753) 7.230 14.386 ( 0.990 3.432 -1.960) 4.074 14.423 ( 0.924 -0.428 -7.493) 7.562 14.516 ( -3.599 1.798 -4.725) 6.206 14.547 ( -5.085 -0.655 -8.452) 9.885 14.720 ( 2.257 5.116 -1.454) 5.778 14.843 ( -2.418 2.114 0.179) 3.216 14.872 ( -0.816 -4.884 1.102) 5.073 14.987 ( -3.820 -6.754 0.119) 7.760 15.155 ( 4.501 4.240 -0.720) 6.225 15.273 ( 4.181 -5.682 -2.281) 7.415 15.360 ( -3.615 3.726 -4.687) 6.994 15.419 ( -2.796 -1.380 -3.784) 4.903 16.207 ( 13.628 11.321 -3.824) 18.125 16.431 ( 10.975 -11.497 -3.380) 16.250 16.648 ( -4.200 0.983 -0.212) 4.319 16.731 ( -2.440 -5.772 2.303) 6.676 16.894 ( 3.708 6.791 4.164) 8.787 16.968 ( -0.985 7.662 2.947) 8.268 17.011 ( 7.989 -4.888 3.843) 10.123 17.097 ( 6.202 -4.999 1.625) 8.130 17.252 ( 4.798 4.330 5.607) 8.557 17.338 ( 1.818 -3.731 5.109) 6.582 17.356 ( 1.508 7.482 1.237) 7.732 17.512 ( -5.024 -6.108 -0.502) 7.924 17.724 ( 0.299 2.626 -4.895) 5.563 17.770 ( 0.000 -2.223 -5.758) 6.172 17.848 ( -0.470 -0.125 -5.099) 5.123 17.893 ( -1.880 -3.476 -5.060) 6.421 18.177 ( -0.270 8.242 -7.699) 11.282 18.309 ( -1.342 -3.767 -8.648) 9.528 18.399 ( -6.447 5.815 -11.755) 14.614 18.525 ( -8.257 -5.943 -12.488) 16.108 18.833 ( 0.399 4.672 4.267) 6.340 18.934 ( -0.326 -6.187 -1.352) 6.341 19.017 ( -2.687 1.296 -0.126) 2.986 19.050 ( -2.307 -1.864 -4.220) 5.157 19.397 ( -4.020 11.622 2.414) 12.533 19.459 ( -9.241 3.050 7.999) 12.597 19.532 ( -4.785 -3.851 6.467) 8.919 19.630 ( -6.350 -12.260 -0.138) 13.807 19.905 ( 4.429 1.910 0.934) 4.913 19.924 ( 5.097 0.261 -0.059) 5.104 20.166 ( -6.088 5.408 5.027) 9.570 20.261 ( -8.294 -4.353 4.061) 10.209 20.576 ( 2.652 1.218 -3.988) 4.942 20.592 ( 2.265 -0.414 -3.521) 4.208 20.740 ( -3.995 0.043 -2.789) 4.872 20.745 ( -4.448 -0.371 -3.317) 5.561 ======================= Grid point 52 (24/40) ======================= q-point: (-0.50 0.33 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 54 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.311 ( -12.282 5.855 9.103) 16.370 1.311 ( 12.282 5.855 9.103) 16.370 1.377 ( -1.823 4.711 5.807) 7.696 1.377 ( 1.823 4.711 5.807) 7.696 1.507 ( -3.956 3.244 8.229) 9.689 1.507 ( 3.956 3.244 8.229) 9.689 1.738 ( -2.225 -8.970 6.057) 11.050 1.738 ( 2.225 -8.970 6.057) 11.050 1.823 ( -5.783 4.673 10.515) 12.878 1.823 ( 5.783 4.673 10.515) 12.878 1.999 ( -1.344 -7.669 11.688) 14.044 1.999 ( 1.344 -7.669 11.688) 14.044 2.342 ( -4.453 -1.059 3.444) 5.728 2.342 ( 4.453 -1.059 3.444) 5.728 2.371 ( -3.678 -3.134 4.838) 6.838 2.371 ( 3.678 -3.134 4.838) 6.838 2.514 ( -9.384 2.977 7.804) 12.563 2.514 ( 9.384 2.977 7.804) 12.563 2.583 ( -6.547 -3.541 8.139) 11.029 2.583 ( 6.547 -3.541 8.139) 11.029 2.686 ( -5.797 4.730 1.357) 7.603 2.686 ( 5.797 4.730 1.357) 7.603 2.783 ( -4.607 -5.742 0.973) 7.426 2.783 ( 4.607 -5.742 0.973) 7.426 3.172 ( -3.325 10.790 -2.654) 11.599 3.172 ( 3.325 10.790 -2.654) 11.599 3.283 ( -4.058 -0.618 -2.574) 4.845 3.283 ( 4.058 -0.618 -2.574) 4.845 3.386 ( -0.297 2.560 -2.629) 3.682 3.386 ( 0.297 2.560 -2.629) 3.682 3.497 ( -4.256 -6.927 -1.041) 8.197 3.497 ( 4.256 -6.927 -1.041) 8.197 3.779 ( -3.326 3.279 -1.756) 4.990 3.779 ( 3.326 3.279 -1.756) 4.990 3.833 ( -4.300 -2.558 -0.648) 5.045 3.833 ( 4.300 -2.558 -0.648) 5.045 4.029 ( -3.628 6.519 -0.086) 7.461 4.029 ( 3.628 6.519 -0.086) 7.461 4.166 ( -0.560 -7.473 -1.478) 7.638 4.166 ( 0.560 -7.473 -1.478) 7.638 4.377 ( -5.061 1.896 -1.803) 5.697 4.377 ( 5.061 1.896 -1.803) 5.697 4.446 ( -2.530 5.856 -4.206) 7.641 4.446 ( 2.530 5.856 -4.206) 7.641 4.496 ( -0.955 -3.303 -2.498) 4.250 4.496 ( 0.955 -3.303 -2.498) 4.250 4.574 ( -1.015 -5.458 -3.771) 6.712 4.574 ( 1.015 -5.458 -3.771) 6.712 4.883 ( -5.128 8.609 -1.162) 10.088 4.883 ( 5.128 8.609 -1.162) 10.088 5.020 ( -5.874 -5.546 -6.016) 10.072 5.020 ( 5.874 -5.546 -6.016) 10.072 5.417 ( -1.398 1.041 2.308) 2.892 5.417 ( 1.398 1.041 2.308) 2.892 5.521 ( -1.052 -9.266 2.591) 9.679 5.521 ( 1.052 -9.266 2.591) 9.679 5.636 ( -5.658 6.305 2.277) 8.772 5.636 ( 5.658 6.305 2.277) 8.772 5.740 ( -6.162 -3.788 1.697) 7.430 5.740 ( 6.162 -3.788 1.697) 7.430 5.960 ( -1.820 5.708 1.789) 6.253 5.960 ( 1.820 5.708 1.789) 6.253 6.031 ( -0.428 -2.836 -0.389) 2.895 6.031 ( 0.428 -2.836 -0.389) 2.895 6.261 ( -1.949 9.408 -1.459) 9.718 6.261 ( 1.949 9.408 -1.459) 9.718 6.426 ( -2.794 -7.003 -3.833) 8.458 6.426 ( 2.794 -7.003 -3.833) 8.458 6.717 ( -4.180 -0.060 -1.191) 4.347 6.717 ( 4.180 -0.060 -1.191) 4.347 6.729 ( -4.307 -0.885 -0.729) 4.457 6.729 ( 4.307 -0.885 -0.729) 4.457 6.871 ( -7.176 6.314 -0.516) 9.572 6.871 ( 7.176 6.314 -0.516) 9.572 6.992 ( -7.200 -6.601 -1.616) 9.901 6.992 ( 7.200 -6.601 -1.616) 9.901 7.371 ( -2.243 9.204 1.963) 9.674 7.371 ( 2.243 9.204 1.963) 9.674 7.569 ( -1.474 -11.712 1.319) 11.878 7.569 ( 1.474 -11.712 1.319) 11.878 7.984 ( -0.857 7.902 0.954) 8.005 7.984 ( 0.857 7.902 0.954) 8.005 8.125 ( -1.388 -7.877 0.733) 8.031 8.125 ( 1.388 -7.877 0.733) 8.031 8.483 ( -3.139 10.893 1.495) 11.434 8.483 ( 3.139 10.893 1.495) 11.434 8.675 ( -3.321 -9.305 2.573) 10.210 8.675 ( 3.321 -9.305 2.573) 10.210 9.256 ( -5.837 2.310 5.950) 8.650 9.256 ( 5.837 2.310 5.950) 8.650 9.295 ( -4.715 -1.754 5.772) 7.657 9.295 ( 4.715 -1.754 5.772) 7.657 9.408 ( -2.635 4.007 1.099) 4.920 9.408 ( 2.635 4.007 1.099) 4.920 9.485 ( -1.919 -4.201 -0.887) 4.703 9.485 ( 1.919 -4.201 -0.887) 4.703 9.654 ( -1.178 4.238 0.792) 4.469 9.654 ( 1.178 4.238 0.792) 4.469 9.733 ( -2.532 -3.951 0.361) 4.707 9.733 ( 2.532 -3.951 0.361) 4.707 10.019 ( -2.284 4.911 1.478) 5.614 10.019 ( 2.284 4.911 1.478) 5.614 10.102 ( -2.287 -3.549 0.228) 4.228 10.102 ( 2.287 -3.549 0.228) 4.228 11.268 ( -4.061 2.850 -1.903) 5.314 11.268 ( 4.061 2.850 -1.903) 5.314 11.332 ( -4.805 -3.635 -3.178) 6.812 11.332 ( 4.805 -3.635 -3.178) 6.812 11.558 ( -13.141 3.258 2.958) 13.859 11.558 ( 13.141 3.258 2.958) 13.859 11.616 ( -14.024 -2.700 2.626) 14.521 11.616 ( 14.024 -2.700 2.626) 14.521 12.590 ( -5.506 2.900 9.968) 11.751 12.590 ( 5.506 2.900 9.968) 11.751 12.655 ( -6.504 -3.554 7.991) 10.899 12.655 ( 6.504 -3.554 7.991) 10.899 13.982 ( -1.945 6.209 4.567) 7.949 13.982 ( 1.945 6.209 4.567) 7.949 14.117 ( -1.100 -7.709 0.965) 7.847 14.117 ( 1.100 -7.709 0.965) 7.847 14.424 ( -2.180 3.499 -2.957) 5.073 14.424 ( 2.180 3.499 -2.957) 5.073 14.473 ( -1.599 -1.405 -7.424) 7.724 14.473 ( 1.599 -1.405 -7.424) 7.724 14.778 ( -3.158 5.378 -2.080) 6.574 14.778 ( 3.158 5.378 -2.080) 6.574 14.910 ( -3.272 -7.995 0.663) 8.664 14.910 ( 3.272 -7.995 0.663) 8.664 15.265 ( -5.216 5.140 -2.124) 7.625 15.265 ( 5.216 5.140 -2.124) 7.625 15.355 ( -3.441 -3.108 -2.976) 5.509 15.355 ( 3.441 -3.108 -2.976) 5.509 16.479 ( -11.418 5.868 -2.333) 13.048 16.479 ( 11.418 5.868 -2.333) 13.048 16.627 ( -7.261 -9.014 0.286) 11.578 16.627 ( 7.261 -9.014 0.286) 11.578 16.945 ( -1.243 10.797 3.246) 11.342 16.945 ( 1.243 10.797 3.246) 11.342 17.146 ( -2.796 -10.599 2.554) 11.255 17.146 ( 2.796 -10.599 2.554) 11.255 17.340 ( -2.957 4.033 2.442) 5.566 17.340 ( 2.957 4.033 2.442) 5.566 17.391 ( -4.795 0.024 2.269) 5.305 17.391 ( 4.795 0.024 2.269) 5.305 17.782 ( -3.398 1.007 -5.678) 6.694 17.782 ( 3.398 1.007 -5.678) 6.694 17.832 ( -3.083 -2.909 -4.528) 6.202 17.832 ( 3.083 -2.909 -4.528) 6.202 18.245 ( -5.806 7.012 -8.146) 12.216 18.245 ( 5.806 7.012 -8.146) 12.216 18.367 ( -5.423 -5.324 -11.563) 13.837 18.367 ( 5.423 -5.324 -11.563) 13.837 18.904 ( -5.970 3.017 4.846) 8.260 18.904 ( 5.970 3.017 4.846) 8.260 18.973 ( -3.685 -4.028 -1.420) 5.641 18.973 ( 3.685 -4.028 -1.420) 5.641 19.357 ( -0.908 8.246 3.894) 9.164 19.357 ( 0.908 8.246 3.894) 9.164 19.528 ( -3.173 -9.450 0.692) 9.993 19.528 ( 3.173 -9.450 0.692) 9.993 20.012 ( -3.952 5.131 3.311) 7.274 20.012 ( 3.952 5.131 3.311) 7.274 20.090 ( -5.961 -3.039 2.047) 6.997 20.090 ( 5.961 -3.039 2.047) 6.997 20.644 ( -1.727 0.924 -3.696) 4.183 20.644 ( 1.727 0.924 -3.696) 4.183 20.662 ( -1.303 -0.942 -3.790) 4.117 20.662 ( 1.303 -0.942 -3.790) 4.117 ======================= Grid point 63 (25/40) ======================= q-point: ( 0.00 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 40 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.293 ( 0.000 0.000 19.018) 19.018 1.335 ( 0.000 0.000 20.659) 20.659 1.522 ( 0.000 0.000 5.803) 5.803 1.644 ( 0.000 0.000 21.097) 21.097 1.922 ( 0.000 0.000 8.139) 8.139 1.926 ( 0.000 0.000 6.372) 6.372 1.978 ( 0.000 0.000 5.783) 5.783 2.172 ( 0.000 0.000 18.356) 18.356 2.207 ( 0.000 0.000 4.161) 4.161 2.370 ( 0.000 0.000 1.340) 1.340 2.398 ( 0.000 0.000 10.716) 10.716 2.432 ( 0.000 0.000 9.481) 9.481 2.492 ( 0.000 0.000 -2.727) 2.727 2.510 ( 0.000 0.000 -1.210) 1.210 2.592 ( 0.000 0.000 4.047) 4.047 2.624 ( 0.000 0.000 -6.286) 6.286 2.635 ( 0.000 0.000 8.979) 8.979 2.637 ( 0.000 0.000 8.812) 8.812 2.663 ( 0.000 0.000 -10.813) 10.813 2.717 ( 0.000 0.000 -1.344) 1.344 2.808 ( 0.000 0.000 6.463) 6.463 3.004 ( 0.000 0.000 -1.162) 1.162 3.027 ( 0.000 0.000 4.743) 4.743 3.037 ( 0.000 0.000 -6.909) 6.909 3.157 ( 0.000 0.000 2.728) 2.728 3.187 ( 0.000 0.000 -2.986) 2.986 3.192 ( 0.000 0.000 -7.365) 7.365 3.204 ( 0.000 0.000 -4.248) 4.248 3.353 ( 0.000 0.000 -0.891) 0.891 3.372 ( 0.000 0.000 -0.165) 0.165 3.397 ( 0.000 0.000 -9.080) 9.080 3.483 ( 0.000 0.000 -1.775) 1.775 3.568 ( 0.000 0.000 -13.716) 13.716 3.575 ( 0.000 0.000 -8.865) 8.865 3.916 ( 0.000 0.000 0.658) 0.658 3.919 ( 0.000 0.000 -0.917) 0.917 3.924 ( 0.000 0.000 8.717) 8.717 3.954 ( 0.000 0.000 9.501) 9.501 4.046 ( 0.000 0.000 -4.709) 4.709 4.144 ( 0.000 0.000 3.426) 3.426 4.174 ( 0.000 0.000 -7.389) 7.389 4.244 ( 0.000 0.000 -2.486) 2.486 4.247 ( 0.000 0.000 5.980) 5.980 4.358 ( 0.000 0.000 -10.424) 10.424 4.452 ( 0.000 0.000 -3.249) 3.249 4.597 ( 0.000 0.000 -5.384) 5.384 4.632 ( 0.000 0.000 3.147) 3.147 4.678 ( 0.000 0.000 -10.915) 10.915 4.824 ( 0.000 0.000 -10.188) 10.188 4.905 ( 0.000 0.000 4.440) 4.440 4.936 ( 0.000 0.000 6.246) 6.246 4.956 ( 0.000 0.000 0.118) 0.118 5.054 ( 0.000 0.000 5.422) 5.422 5.270 ( 0.000 0.000 0.721) 0.721 5.571 ( 0.000 0.000 8.287) 8.287 5.576 ( 0.000 0.000 0.039) 0.039 5.600 ( 0.000 0.000 5.418) 5.418 5.744 ( 0.000 0.000 2.615) 2.615 5.746 ( 0.000 0.000 -3.670) 3.670 5.790 ( 0.000 0.000 -7.335) 7.335 5.837 ( 0.000 0.000 0.050) 0.050 5.994 ( 0.000 0.000 -2.107) 2.107 6.030 ( 0.000 0.000 -6.181) 6.181 6.141 ( 0.000 0.000 4.849) 4.849 6.199 ( 0.000 0.000 5.236) 5.236 6.258 ( 0.000 0.000 -8.137) 8.137 6.264 ( 0.000 0.000 5.931) 5.931 6.438 ( 0.000 0.000 0.016) 0.016 6.472 ( 0.000 0.000 0.461) 0.461 6.557 ( 0.000 0.000 0.634) 0.634 6.692 ( 0.000 0.000 0.453) 0.453 6.762 ( 0.000 0.000 -4.509) 4.509 6.800 ( 0.000 0.000 -3.062) 3.062 6.934 ( 0.000 0.000 -5.715) 5.715 7.176 ( 0.000 0.000 -4.507) 4.507 7.305 ( 0.000 0.000 -5.298) 5.298 7.349 ( 0.000 0.000 2.682) 2.682 7.482 ( 0.000 0.000 -2.824) 2.824 7.744 ( 0.000 0.000 0.639) 0.639 7.831 ( 0.000 0.000 -1.934) 1.934 8.024 ( 0.000 0.000 4.249) 4.249 8.053 ( 0.000 0.000 -2.976) 2.976 8.145 ( 0.000 0.000 0.536) 0.536 8.222 ( 0.000 0.000 0.161) 0.161 8.224 ( 0.000 0.000 3.116) 3.116 8.313 ( 0.000 0.000 -0.377) 0.377 8.731 ( 0.000 0.000 4.753) 4.753 8.741 ( 0.000 0.000 -2.238) 2.238 8.761 ( 0.000 0.000 4.112) 4.112 8.979 ( 0.000 0.000 0.943) 0.943 9.171 ( 0.000 0.000 2.948) 2.948 9.269 ( 0.000 0.000 3.711) 3.711 9.275 ( 0.000 0.000 3.981) 3.981 9.316 ( 0.000 0.000 -2.470) 2.470 9.373 ( 0.000 0.000 2.040) 2.040 9.398 ( 0.000 0.000 -4.629) 4.629 9.464 ( 0.000 0.000 7.769) 7.769 9.603 ( 0.000 0.000 0.332) 0.332 9.765 ( 0.000 0.000 -4.673) 4.673 9.810 ( 0.000 0.000 3.512) 3.512 9.812 ( 0.000 0.000 2.255) 2.255 9.930 ( 0.000 0.000 -1.238) 1.238 10.321 ( 0.000 0.000 8.674) 8.674 10.392 ( 0.000 0.000 7.405) 7.405 10.952 ( 0.000 0.000 -0.738) 0.738 10.957 ( 0.000 0.000 -1.902) 1.902 10.996 ( 0.000 0.000 -1.111) 1.111 11.009 ( 0.000 0.000 -1.503) 1.503 11.099 ( 0.000 0.000 -4.379) 4.379 11.109 ( 0.000 0.000 -3.493) 3.493 12.285 ( 0.000 0.000 8.465) 8.465 12.362 ( 0.000 0.000 5.646) 5.646 12.717 ( 0.000 0.000 6.482) 6.482 12.793 ( 0.000 0.000 9.268) 9.268 13.209 ( 0.000 0.000 10.359) 10.359 13.237 ( 0.000 0.000 8.212) 8.212 13.884 ( 0.000 0.000 4.248) 4.248 13.939 ( 0.000 0.000 0.450) 0.450 14.138 ( 0.000 0.000 -9.667) 9.667 14.182 ( 0.000 0.000 -10.397) 10.397 14.184 ( 0.000 0.000 -4.482) 4.482 14.379 ( 0.000 0.000 -5.721) 5.721 14.393 ( 0.000 0.000 -11.553) 11.553 14.462 ( 0.000 0.000 -6.672) 6.672 14.643 ( 0.000 0.000 2.234) 2.234 14.855 ( 0.000 0.000 3.665) 3.665 14.988 ( 0.000 0.000 4.825) 4.825 15.032 ( 0.000 0.000 2.590) 2.590 15.067 ( 0.000 0.000 -9.668) 9.668 15.246 ( 0.000 0.000 -5.950) 5.950 15.329 ( 0.000 0.000 -4.542) 4.542 15.398 ( 0.000 0.000 -10.113) 10.113 15.878 ( 0.000 0.000 3.237) 3.237 16.052 ( 0.000 0.000 2.319) 2.319 16.697 ( 0.000 0.000 1.020) 1.020 16.791 ( 0.000 0.000 0.593) 0.593 16.805 ( 0.000 0.000 8.301) 8.301 16.937 ( 0.000 0.000 5.960) 5.960 16.953 ( 0.000 0.000 6.735) 6.735 17.157 ( 0.000 0.000 6.164) 6.164 17.221 ( 0.000 0.000 2.741) 2.741 17.246 ( 0.000 0.000 10.048) 10.048 17.563 ( 0.000 0.000 4.736) 4.736 17.594 ( 0.000 0.000 -5.513) 5.513 17.608 ( 0.000 0.000 -7.099) 7.099 17.723 ( 0.000 0.000 -11.470) 11.470 17.766 ( 0.000 0.000 -5.978) 5.978 17.810 ( 0.000 0.000 -3.591) 3.591 18.139 ( 0.000 0.000 -4.771) 4.771 18.170 ( 0.000 0.000 -3.630) 3.630 18.335 ( 0.000 0.000 -7.237) 7.237 18.515 ( 0.000 0.000 -14.263) 14.263 18.767 ( 0.000 0.000 1.874) 1.874 18.856 ( 0.000 0.000 -4.823) 4.823 18.979 ( 0.000 0.000 -6.460) 6.460 19.010 ( 0.000 0.000 0.609) 0.609 19.566 ( 0.000 0.000 10.399) 10.399 19.760 ( 0.000 0.000 -2.774) 2.774 19.783 ( 0.000 0.000 0.639) 0.639 19.797 ( 0.000 0.000 -2.500) 2.500 19.945 ( 0.000 0.000 -0.361) 0.361 20.014 ( 0.000 0.000 -2.325) 2.325 20.397 ( 0.000 0.000 8.174) 8.174 20.469 ( 0.000 0.000 2.217) 2.217 20.519 ( 0.000 0.000 0.587) 0.587 20.612 ( 0.000 0.000 0.822) 0.822 20.748 ( 0.000 0.000 -5.283) 5.283 20.787 ( 0.000 0.000 -5.277) 5.277 ======================= Grid point 64 (26/40) ======================= q-point: ( 0.17 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 54 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.199 ( -4.539 0.000 15.766) 16.406 1.354 ( 1.714 0.000 19.009) 19.086 1.514 ( -8.787 0.000 14.692) 17.119 1.621 ( 4.978 0.000 8.090) 9.499 1.833 ( -5.607 0.000 9.735) 11.235 1.921 ( -0.569 0.000 5.998) 6.025 2.025 ( -1.159 0.000 3.644) 3.824 2.072 ( -10.354 0.000 2.404) 10.630 2.161 ( -0.845 0.000 14.199) 14.224 2.215 ( -14.939 0.000 2.776) 15.195 2.364 ( -2.094 0.000 11.611) 11.798 2.390 ( -5.227 0.000 4.600) 6.963 2.488 ( -0.901 0.000 3.382) 3.500 2.527 ( 2.009 0.000 3.776) 4.277 2.560 ( -1.987 0.000 -1.462) 2.467 2.568 ( -4.087 0.000 -3.565) 5.423 2.595 ( -2.717 0.000 -3.082) 4.108 2.628 ( -3.919 0.000 0.357) 3.935 2.668 ( -0.556 0.000 5.154) 5.184 2.710 ( 4.446 0.000 4.435) 6.280 2.814 ( -1.191 0.000 1.736) 2.105 2.906 ( -11.869 0.000 -2.753) 12.185 2.945 ( -7.074 0.000 -2.816) 7.614 3.011 ( -6.081 0.000 -1.170) 6.193 3.054 ( 2.668 0.000 1.569) 3.095 3.111 ( 0.076 0.000 -3.190) 3.191 3.169 ( -5.058 0.000 1.032) 5.162 3.216 ( 0.600 0.000 2.356) 2.431 3.322 ( -0.917 0.000 -2.861) 3.004 3.398 ( -0.055 0.000 -7.565) 7.565 3.490 ( 6.086 0.000 2.945) 6.761 3.511 ( 6.686 0.000 -5.295) 8.529 3.598 ( 1.448 0.000 -4.548) 4.773 3.715 ( 5.275 0.000 -7.435) 9.116 3.910 ( -0.945 0.000 8.036) 8.092 3.919 ( 0.359 0.000 0.846) 0.919 3.941 ( -0.548 0.000 7.253) 7.274 3.960 ( 2.528 0.000 -3.073) 3.979 4.082 ( 2.699 0.000 -4.609) 5.341 4.162 ( 1.869 0.000 4.647) 5.009 4.230 ( 4.175 0.000 -5.681) 7.050 4.249 ( -1.360 0.000 3.999) 4.224 4.316 ( 5.576 0.000 -4.910) 7.430 4.388 ( 1.475 0.000 -8.909) 9.030 4.465 ( 2.717 0.000 -2.559) 3.732 4.476 ( -5.348 0.000 0.328) 5.358 4.595 ( -1.223 0.000 -4.217) 4.391 4.667 ( -6.715 0.000 0.782) 6.760 4.812 ( -0.665 0.000 -7.725) 7.754 4.869 ( -2.952 0.000 -3.934) 4.918 4.989 ( 9.293 0.000 1.583) 9.426 5.018 ( -3.151 0.000 3.460) 4.680 5.140 ( 11.513 0.000 2.662) 11.817 5.275 ( -2.452 0.000 -4.420) 5.054 5.548 ( -1.321 0.000 10.138) 10.224 5.569 ( 0.667 0.000 7.622) 7.651 5.586 ( 0.273 0.000 0.579) 0.640 5.734 ( -1.182 0.000 3.599) 3.788 5.761 ( 1.385 0.000 -5.546) 5.716 5.792 ( 0.239 0.000 -3.274) 3.282 5.862 ( 2.079 0.000 0.446) 2.126 6.000 ( 0.669 0.000 -3.051) 3.123 6.042 ( 0.785 0.000 -5.013) 5.074 6.126 ( -1.173 0.000 3.649) 3.833 6.171 ( -0.586 0.000 4.395) 4.434 6.272 ( 1.015 0.000 -8.847) 8.905 6.356 ( -6.688 0.000 1.685) 6.897 6.384 ( 8.523 0.000 4.172) 9.490 6.483 ( 1.305 0.000 0.747) 1.504 6.581 ( 1.454 0.000 -0.747) 1.635 6.696 ( -5.244 0.000 -1.746) 5.527 6.713 ( 1.953 0.000 -0.492) 2.014 6.773 ( -2.433 0.000 -4.297) 4.938 6.899 ( -2.894 0.000 -5.689) 6.383 7.150 ( -2.561 0.000 -3.357) 4.222 7.263 ( -4.046 0.000 -4.825) 6.297 7.340 ( -0.768 0.000 2.843) 2.945 7.461 ( -2.122 0.000 -1.665) 2.697 7.743 ( -0.526 0.000 0.464) 0.701 7.815 ( -1.497 0.000 -1.888) 2.409 7.957 ( -3.609 0.000 1.631) 3.960 7.984 ( -6.143 0.000 -1.480) 6.319 8.156 ( 4.002 0.000 2.705) 4.831 8.215 ( -0.316 0.000 2.762) 2.780 8.300 ( -0.854 0.000 -0.433) 0.958 8.348 ( 6.042 0.000 -0.871) 6.104 8.753 ( 0.758 0.000 1.371) 1.567 8.776 ( 1.303 0.000 -0.561) 1.419 8.864 ( 11.235 0.000 4.269) 12.019 9.082 ( 8.482 0.000 1.146) 8.559 9.219 ( 4.240 0.000 3.047) 5.221 9.294 ( 2.334 0.000 1.435) 2.740 9.307 ( 2.796 0.000 3.200) 4.249 9.365 ( 4.236 0.000 -1.053) 4.365 9.418 ( 1.819 0.000 -4.099) 4.485 9.428 ( 4.680 0.000 0.158) 4.683 9.473 ( 0.314 0.000 6.608) 6.615 9.619 ( 1.845 0.000 1.832) 2.600 9.754 ( -1.172 0.000 -2.777) 3.014 9.817 ( 0.540 0.000 2.236) 2.300 9.847 ( 3.117 0.000 2.141) 3.781 9.964 ( 3.072 0.000 -1.422) 3.385 10.294 ( -2.770 0.000 8.943) 9.363 10.379 ( -1.825 0.000 7.210) 7.437 10.987 ( 3.803 0.000 -1.323) 4.027 11.024 ( 5.758 0.000 -0.779) 5.811 11.063 ( 6.544 0.000 -0.753) 6.587 11.079 ( 7.347 0.000 -1.247) 7.452 11.149 ( 4.270 0.000 -3.381) 5.447 11.175 ( 5.687 0.000 -4.084) 7.002 12.193 ( -8.683 0.000 7.711) 11.613 12.275 ( -8.307 0.000 4.930) 9.659 12.698 ( -1.434 0.000 6.584) 6.739 12.769 ( -1.931 0.000 8.721) 8.932 13.134 ( -6.739 0.000 9.786) 11.882 13.176 ( -5.945 0.000 7.803) 9.810 13.901 ( 1.677 0.000 4.281) 4.597 13.962 ( 2.105 0.000 0.390) 2.141 14.159 ( 1.929 0.000 -8.963) 9.168 14.168 ( -1.448 0.000 -4.016) 4.269 14.187 ( 0.620 0.000 -10.154) 10.173 14.349 ( -2.837 0.000 -4.587) 5.393 14.369 ( -2.083 0.000 -10.691) 10.892 14.445 ( -1.730 0.000 -7.457) 7.655 14.648 ( 0.450 0.000 2.115) 2.163 14.898 ( 3.526 0.000 2.599) 4.380 14.910 ( -5.339 0.000 2.144) 5.754 15.039 ( 0.749 0.000 3.185) 3.272 15.122 ( 3.400 0.000 -6.735) 7.544 15.224 ( -1.876 0.000 -4.865) 5.214 15.323 ( -0.607 0.000 -4.739) 4.778 15.392 ( -1.723 0.000 -7.684) 7.874 15.871 ( 4.571 0.000 7.325) 8.635 16.213 ( 11.427 0.000 -2.379) 11.672 16.710 ( 1.180 0.000 1.289) 1.747 16.784 ( 1.666 0.000 4.617) 4.908 16.928 ( 8.581 0.000 2.188) 8.855 16.934 ( -0.308 0.000 6.188) 6.196 17.015 ( 5.071 0.000 5.607) 7.560 17.194 ( 3.419 0.000 4.756) 5.857 17.197 ( -4.508 0.000 8.933) 10.007 17.261 ( 3.570 0.000 3.856) 5.254 17.526 ( -3.311 0.000 1.951) 3.843 17.592 ( -1.011 0.000 -4.488) 4.600 17.593 ( -1.272 0.000 -5.363) 5.512 17.724 ( -2.915 0.000 -4.913) 5.713 17.725 ( 0.301 0.000 -10.601) 10.605 17.830 ( 1.146 0.000 -4.557) 4.699 18.056 ( -4.871 0.000 -1.733) 5.170 18.190 ( -0.029 0.000 -5.154) 5.154 18.269 ( -5.467 0.000 -7.447) 9.238 18.459 ( -5.148 0.000 -13.494) 14.442 18.819 ( 4.199 0.000 2.336) 4.805 18.879 ( 1.337 0.000 -5.194) 5.364 18.971 ( -0.779 0.000 -6.188) 6.237 19.012 ( 0.451 0.000 0.783) 0.903 19.514 ( -4.598 0.000 9.549) 10.599 19.735 ( -4.312 0.000 1.339) 4.515 19.790 ( 3.171 0.000 -1.709) 3.602 19.825 ( 2.755 0.000 -1.624) 3.198 19.849 ( -8.365 0.000 3.472) 9.056 19.932 ( -7.480 0.000 -0.016) 7.480 20.349 ( -4.504 0.000 7.432) 8.690 20.460 ( -0.264 0.000 -0.211) 0.338 20.515 ( -0.298 0.000 -1.256) 1.291 20.540 ( -6.720 0.000 1.032) 6.799 20.718 ( -2.823 0.000 -5.903) 6.543 20.749 ( -3.439 0.000 -5.365) 6.372 ======================= Grid point 65 (27/40) ======================= q-point: ( 0.33 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 56 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.189 ( 4.200 0.000 8.745) 9.701 1.383 ( -0.531 0.000 12.841) 12.852 1.406 ( 0.464 0.000 7.284) 7.299 1.669 ( 0.533 0.000 11.654) 11.666 1.726 ( -17.995 0.000 -5.490) 18.813 1.726 ( -3.213 0.000 10.010) 10.513 1.893 ( -11.170 0.000 6.195) 12.773 1.935 ( -6.909 0.000 -1.388) 7.047 1.982 ( 1.195 0.000 8.072) 8.160 2.146 ( -2.074 0.000 7.101) 7.397 2.237 ( -7.296 0.000 5.296) 9.015 2.269 ( -5.829 0.000 4.337) 7.265 2.449 ( -3.800 0.000 -5.458) 6.650 2.479 ( -2.633 0.000 0.629) 2.707 2.507 ( -0.988 0.000 2.971) 3.131 2.568 ( -0.414 0.000 4.831) 4.849 2.581 ( -3.949 0.000 4.789) 6.207 2.614 ( 2.709 0.000 3.380) 4.332 2.634 ( 1.000 0.000 3.215) 3.367 2.691 ( -2.634 0.000 -0.482) 2.678 2.764 ( -1.325 0.000 3.965) 4.181 2.806 ( -2.980 0.000 -5.498) 6.254 2.835 ( -1.186 0.000 4.148) 4.314 2.890 ( -3.876 0.000 -3.019) 4.913 3.074 ( -0.600 0.000 5.385) 5.418 3.105 ( -1.361 0.000 5.764) 5.923 3.179 ( 5.403 0.000 2.363) 5.897 3.260 ( 3.139 0.000 -0.519) 3.182 3.323 ( 0.421 0.000 2.046) 2.089 3.386 ( -1.552 0.000 -4.651) 4.903 3.571 ( 1.541 0.000 3.054) 3.421 3.602 ( -1.231 0.000 -0.041) 1.231 3.632 ( 4.762 0.000 -2.844) 5.547 3.755 ( -0.631 0.000 -0.790) 1.011 3.896 ( 0.080 0.000 6.480) 6.481 3.930 ( 0.244 0.000 1.623) 1.641 3.948 ( 1.429 0.000 2.822) 3.163 4.009 ( 1.963 0.000 1.375) 2.397 4.150 ( -4.546 0.000 0.526) 4.576 4.150 ( 3.857 0.000 -4.156) 5.670 4.222 ( 1.569 0.000 2.739) 3.156 4.283 ( -0.111 0.000 -3.403) 3.405 4.392 ( 0.170 0.000 -5.908) 5.910 4.403 ( 1.874 0.000 -6.698) 6.955 4.441 ( 0.300 0.000 1.117) 1.156 4.533 ( -4.366 0.000 0.791) 4.437 4.580 ( -0.155 0.000 -1.795) 1.802 4.581 ( 7.396 0.000 -1.333) 7.515 4.756 ( -6.608 0.000 -2.363) 7.018 4.833 ( 2.782 0.000 -5.856) 6.484 4.928 ( -5.226 0.000 0.507) 5.251 5.131 ( -9.174 0.000 -5.335) 10.613 5.223 ( 11.544 0.000 -1.784) 11.681 5.397 ( 12.670 0.000 -1.554) 12.765 5.547 ( 1.491 0.000 8.389) 8.520 5.558 ( -3.374 0.000 -0.975) 3.512 5.669 ( 1.403 0.000 4.536) 4.748 5.714 ( 4.683 0.000 6.714) 8.186 5.757 ( -3.195 0.000 -5.921) 6.728 5.823 ( 3.233 0.000 2.350) 3.997 5.912 ( 2.655 0.000 0.616) 2.726 6.014 ( -4.220 0.000 1.404) 4.447 6.018 ( 0.530 0.000 -2.160) 2.224 6.126 ( 1.582 0.000 -1.361) 2.086 6.160 ( -9.519 0.000 -0.715) 9.546 6.171 ( 0.095 0.000 1.662) 1.665 6.332 ( 3.130 0.000 -3.331) 4.571 6.536 ( 3.932 0.000 -2.494) 4.657 6.547 ( -6.127 0.000 0.089) 6.128 6.570 ( 7.838 0.000 1.134) 7.920 6.636 ( 1.418 0.000 -4.585) 4.800 6.723 ( -2.095 0.000 -4.317) 4.799 6.760 ( 2.087 0.000 -0.943) 2.290 6.862 ( 1.149 0.000 -3.459) 3.645 7.062 ( -5.933 0.000 -0.700) 5.974 7.144 ( -7.035 0.000 -3.740) 7.967 7.324 ( -0.452 0.000 3.335) 3.366 7.399 ( -3.508 0.000 1.109) 3.679 7.723 ( -0.903 0.000 -0.031) 0.904 7.771 ( -2.563 0.000 -1.594) 3.019 7.890 ( -2.624 0.000 -1.252) 2.907 7.896 ( -2.192 0.000 0.346) 2.219 8.226 ( 1.291 0.000 1.352) 1.870 8.256 ( 5.359 0.000 2.667) 5.986 8.283 ( -0.883 0.000 -0.557) 1.044 8.414 ( 0.046 0.000 0.683) 0.684 8.771 ( 1.013 0.000 1.584) 1.880 8.796 ( 0.373 0.000 -3.186) 3.208 9.119 ( 11.820 0.000 3.711) 12.389 9.264 ( 7.735 0.000 1.207) 7.829 9.318 ( 4.481 0.000 2.448) 5.106 9.352 ( 2.681 0.000 -0.238) 2.692 9.370 ( 2.684 0.000 1.681) 3.166 9.449 ( -2.851 0.000 4.519) 5.344 9.455 ( 3.405 0.000 -2.383) 4.156 9.468 ( 2.857 0.000 -1.460) 3.209 9.530 ( 4.516 0.000 -0.806) 4.588 9.679 ( 1.705 0.000 4.490) 4.802 9.721 ( -0.248 0.000 -1.059) 1.088 9.822 ( -0.395 0.000 1.065) 1.136 9.933 ( 5.146 0.000 2.858) 5.886 10.051 ( 5.191 0.000 -0.428) 5.209 10.201 ( -6.079 0.000 8.172) 10.185 10.303 ( -5.341 0.000 5.673) 7.792 11.099 ( 6.363 0.000 -0.946) 6.433 11.170 ( 7.144 0.000 -1.565) 7.314 11.236 ( 3.291 0.000 -1.485) 3.610 11.272 ( 13.518 0.000 1.052) 13.559 11.297 ( 4.514 0.000 -3.513) 5.720 11.320 ( 15.241 0.000 -0.272) 15.244 11.942 ( -14.955 0.000 5.845) 16.056 12.028 ( -15.036 0.000 3.195) 15.372 12.686 ( 1.196 0.000 6.979) 7.081 12.741 ( 0.210 0.000 7.471) 7.474 12.956 ( -9.634 0.000 9.109) 13.258 13.006 ( -9.705 0.000 6.404) 11.628 13.950 ( 2.884 0.000 3.676) 4.672 14.014 ( 2.118 0.000 0.669) 2.221 14.138 ( -0.793 0.000 -2.648) 2.764 14.210 ( 1.742 0.000 -9.047) 9.213 14.216 ( 3.309 0.000 -8.291) 8.926 14.269 ( -4.624 0.000 -2.295) 5.162 14.317 ( -2.665 0.000 -9.488) 9.856 14.389 ( -3.622 0.000 -7.958) 8.743 14.665 ( 1.424 0.000 1.802) 2.296 14.799 ( -5.003 0.000 1.834) 5.328 14.967 ( 2.654 0.000 0.622) 2.726 15.053 ( -0.386 0.000 1.131) 1.195 15.191 ( 3.269 0.000 -6.256) 7.059 15.199 ( 0.686 0.000 0.098) 0.693 15.300 ( -1.653 0.000 -5.237) 5.492 15.328 ( -3.648 0.000 -1.286) 3.868 16.104 ( 16.102 0.000 5.866) 17.137 16.453 ( 9.965 0.000 -2.789) 10.348 16.749 ( 2.542 0.000 2.527) 3.585 16.820 ( 0.821 0.000 3.725) 3.814 16.884 ( -4.970 0.000 5.974) 7.771 17.039 ( -7.639 0.000 4.195) 8.715 17.125 ( 9.463 0.000 -1.333) 9.556 17.179 ( 7.874 0.000 6.763) 10.380 17.284 ( 4.751 0.000 3.255) 5.759 17.341 ( 2.995 0.000 4.487) 5.395 17.432 ( -5.352 0.000 -2.350) 5.845 17.533 ( -4.702 0.000 -1.754) 5.019 17.597 ( 2.516 0.000 -3.114) 4.003 17.676 ( -0.885 0.000 -4.761) 4.842 17.727 ( -0.648 0.000 -8.402) 8.427 17.816 ( -3.490 0.000 -7.141) 7.948 18.015 ( 1.962 0.000 0.276) 1.981 18.156 ( -4.015 0.000 -8.779) 9.653 18.163 ( -2.466 0.000 -4.058) 4.749 18.314 ( -8.324 0.000 -12.074) 14.666 18.892 ( 0.212 0.000 -4.707) 4.712 18.910 ( 4.382 0.000 4.245) 6.101 18.942 ( -1.945 0.000 -5.703) 6.026 19.030 ( 0.519 0.000 0.722) 0.890 19.419 ( -3.013 0.000 8.795) 9.297 19.611 ( -8.805 0.000 7.248) 11.405 19.666 ( -5.789 0.000 3.110) 6.572 19.756 ( -8.099 0.000 2.150) 8.380 19.900 ( 6.943 0.000 0.478) 6.959 19.916 ( 6.433 0.000 0.303) 6.440 20.224 ( -7.082 0.000 5.334) 8.866 20.354 ( -10.537 0.000 1.156) 10.600 20.475 ( 1.901 0.000 -3.809) 4.257 20.521 ( 1.178 0.000 -3.793) 3.971 20.638 ( -4.637 0.000 -6.733) 8.176 20.659 ( -4.747 0.000 -5.347) 7.150 ======================= Grid point 66 (28/40) ======================= q-point: (-0.50 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 36 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.376 ( -13.589 0.000 0.224) 13.591 1.376 ( 13.589 0.000 0.224) 13.591 1.404 ( -1.655 0.000 6.613) 6.817 1.404 ( 1.655 0.000 6.613) 6.817 1.719 ( -5.128 0.000 9.192) 10.526 1.719 ( 5.128 0.000 9.192) 10.526 1.765 ( -7.163 0.000 1.919) 7.416 1.765 ( 7.163 0.000 1.919) 7.416 2.061 ( -5.149 0.000 5.516) 7.545 2.061 ( 5.149 0.000 5.516) 7.545 2.179 ( -1.813 0.000 5.692) 5.974 2.179 ( 1.813 0.000 5.692) 5.974 2.416 ( -1.429 0.000 -2.798) 3.141 2.416 ( 1.429 0.000 -2.798) 3.141 2.521 ( -2.342 0.000 2.780) 3.635 2.521 ( 2.342 0.000 2.780) 3.635 2.588 ( -3.157 0.000 1.195) 3.376 2.588 ( 3.157 0.000 1.195) 3.376 2.685 ( -4.145 0.000 4.968) 6.470 2.685 ( 4.145 0.000 4.968) 6.470 2.768 ( -5.345 0.000 5.014) 7.329 2.768 ( 5.345 0.000 5.014) 7.329 2.829 ( -2.768 0.000 -3.878) 4.765 2.829 ( 2.768 0.000 -3.878) 4.765 3.075 ( -1.229 0.000 7.197) 7.301 3.075 ( 1.229 0.000 7.197) 7.301 3.293 ( -4.124 0.000 4.774) 6.309 3.293 ( 4.124 0.000 4.774) 6.309 3.332 ( -3.387 0.000 -2.412) 4.158 3.332 ( 3.387 0.000 -2.412) 4.158 3.579 ( -0.683 0.000 1.020) 1.228 3.579 ( 0.683 0.000 1.020) 1.228 3.713 ( -3.097 0.000 0.484) 3.135 3.713 ( 3.097 0.000 0.484) 3.135 3.917 ( -1.364 0.000 4.016) 4.241 3.917 ( 1.364 0.000 4.016) 4.241 3.987 ( -2.613 0.000 5.686) 6.258 3.987 ( 2.613 0.000 5.686) 6.258 4.178 ( -5.148 0.000 -2.684) 5.805 4.178 ( 5.148 0.000 -2.684) 5.805 4.233 ( -3.811 0.000 -2.324) 4.463 4.233 ( 3.811 0.000 -2.324) 4.463 4.405 ( -0.920 0.000 -6.256) 6.323 4.405 ( 0.920 0.000 -6.256) 6.323 4.471 ( -2.503 0.000 1.508) 2.922 4.471 ( 2.503 0.000 1.508) 2.922 4.628 ( -4.849 0.000 -1.696) 5.137 4.628 ( 4.849 0.000 -1.696) 5.137 4.755 ( -8.592 0.000 -1.436) 8.711 4.755 ( 8.592 0.000 -1.436) 8.711 4.960 ( -6.686 0.000 -4.837) 8.253 4.960 ( 6.686 0.000 -4.837) 8.253 5.437 ( -8.405 0.000 -2.489) 8.765 5.437 ( 8.405 0.000 -2.489) 8.765 5.607 ( -3.815 0.000 6.180) 7.262 5.607 ( 3.815 0.000 6.180) 7.262 5.629 ( -8.984 0.000 -4.543) 10.067 5.629 ( 8.984 0.000 -4.543) 10.067 5.886 ( -7.886 0.000 4.156) 8.914 5.886 ( 7.886 0.000 4.156) 8.914 5.914 ( -4.521 0.000 4.260) 6.212 5.914 ( 4.521 0.000 4.260) 6.212 6.023 ( -2.003 0.000 -1.506) 2.506 6.023 ( 2.003 0.000 -1.506) 2.506 6.161 ( -1.231 0.000 -0.638) 1.386 6.161 ( 1.231 0.000 -0.638) 1.386 6.421 ( -5.364 0.000 -1.526) 5.577 6.421 ( 5.364 0.000 -1.526) 5.577 6.616 ( -2.762 0.000 -6.276) 6.857 6.616 ( 2.762 0.000 -6.276) 6.857 6.679 ( -2.277 0.000 -5.391) 5.852 6.679 ( 2.277 0.000 -5.391) 5.852 6.865 ( -6.690 0.000 4.006) 7.798 6.865 ( 6.690 0.000 4.006) 7.798 7.000 ( -5.152 0.000 -3.328) 6.133 7.000 ( 5.152 0.000 -3.328) 6.133 7.337 ( -1.951 0.000 3.181) 3.731 7.337 ( 1.951 0.000 3.181) 3.731 7.726 ( -1.357 0.000 -0.895) 1.626 7.726 ( 1.357 0.000 -0.895) 1.626 7.869 ( -0.365 0.000 -0.818) 0.896 7.869 ( 0.365 0.000 -0.818) 0.896 8.258 ( -1.539 0.000 -0.064) 1.541 8.258 ( 1.539 0.000 -0.064) 1.541 8.363 ( -4.420 0.000 2.268) 4.968 8.363 ( 4.420 0.000 2.268) 4.968 8.791 ( -0.763 0.000 -1.408) 1.602 8.791 ( 0.763 0.000 -1.408) 1.602 9.314 ( -5.905 0.000 2.380) 6.366 9.314 ( 5.905 0.000 2.380) 6.366 9.376 ( -0.802 0.000 0.228) 0.834 9.376 ( 0.802 0.000 0.228) 0.834 9.395 ( -0.837 0.000 1.836) 2.018 9.395 ( 0.837 0.000 1.836) 2.018 9.498 ( -0.565 0.000 -1.539) 1.639 9.498 ( 0.565 0.000 -1.539) 1.639 9.619 ( -4.287 0.000 2.069) 4.760 9.619 ( 4.287 0.000 2.069) 4.760 9.786 ( -3.157 0.000 1.004) 3.312 9.786 ( 3.157 0.000 1.004) 3.312 10.059 ( -6.871 0.000 5.400) 8.739 10.059 ( 6.871 0.000 5.400) 8.739 10.175 ( -6.474 0.000 2.780) 7.046 10.175 ( 6.474 0.000 2.780) 7.046 11.211 ( -3.295 0.000 -1.328) 3.553 11.211 ( 3.295 0.000 -1.328) 3.553 11.314 ( -3.026 0.000 -1.861) 3.553 11.314 ( 3.026 0.000 -1.861) 3.553 11.592 ( -14.155 0.000 3.293) 14.533 11.592 ( 14.155 0.000 3.293) 14.533 11.684 ( -15.092 0.000 1.503) 15.166 11.684 ( 15.092 0.000 1.503) 15.166 12.767 ( -5.641 0.000 8.571) 10.261 12.767 ( 5.641 0.000 8.571) 10.261 12.823 ( -5.790 0.000 5.656) 8.094 12.823 ( 5.790 0.000 5.656) 8.094 14.009 ( -2.337 0.000 1.890) 3.006 14.009 ( 2.337 0.000 1.890) 3.006 14.173 ( -3.995 0.000 -1.320) 4.207 14.173 ( 3.995 0.000 -1.320) 4.207 14.252 ( -1.922 0.000 -8.769) 8.977 14.252 ( 1.922 0.000 -8.769) 8.977 14.307 ( -3.643 0.000 -7.903) 8.702 14.307 ( 3.643 0.000 -7.903) 8.702 14.713 ( -3.230 0.000 1.616) 3.612 14.713 ( 3.230 0.000 1.616) 3.612 15.016 ( -2.375 0.000 -0.283) 2.391 15.016 ( 2.375 0.000 -0.283) 2.391 15.253 ( -3.527 0.000 1.689) 3.910 15.253 ( 3.527 0.000 1.689) 3.910 15.255 ( -2.721 0.000 -5.811) 6.416 15.255 ( 2.721 0.000 -5.811) 6.416 16.442 ( -13.056 0.000 3.926) 13.634 16.442 ( 13.056 0.000 3.926) 13.634 16.803 ( -2.200 0.000 3.285) 3.954 16.803 ( 2.200 0.000 3.285) 3.954 16.870 ( -6.623 0.000 2.955) 7.252 16.870 ( 6.623 0.000 2.955) 7.252 17.292 ( -6.581 0.000 -2.796) 7.150 17.292 ( 6.581 0.000 -2.796) 7.150 17.367 ( -2.458 0.000 3.197) 4.033 17.367 ( 2.458 0.000 3.197) 4.033 17.376 ( -9.817 0.000 2.806) 10.210 17.376 ( 9.817 0.000 2.806) 10.210 17.678 ( -4.005 0.000 -4.970) 6.383 17.678 ( 4.005 0.000 -4.970) 6.383 17.720 ( -4.526 0.000 -6.566) 7.975 17.720 ( 4.526 0.000 -6.566) 7.975 18.092 ( -4.190 0.000 -1.966) 4.628 18.092 ( 4.190 0.000 -1.966) 4.628 18.160 ( -4.849 0.000 -10.712) 11.759 18.160 ( 4.849 0.000 -10.712) 11.759 18.905 ( -1.280 0.000 -4.751) 4.921 18.905 ( 1.280 0.000 -4.751) 4.921 18.997 ( -3.548 0.000 3.361) 4.888 18.997 ( 3.548 0.000 3.361) 4.888 19.441 ( -5.407 0.000 9.374) 10.821 19.441 ( 5.407 0.000 9.374) 10.821 19.638 ( -2.554 0.000 1.875) 3.168 19.638 ( 2.554 0.000 1.875) 3.168 20.033 ( -3.772 0.000 3.282) 5.000 20.033 ( 3.772 0.000 3.282) 5.000 20.141 ( -7.033 0.000 0.720) 7.070 20.141 ( 7.033 0.000 0.720) 7.070 20.540 ( -4.091 0.000 -5.676) 6.997 20.540 ( 4.091 0.000 -5.676) 6.997 20.571 ( -3.373 0.000 -5.421) 6.385 20.571 ( 3.373 0.000 -5.421) 6.385 ======================= Grid point 70 (29/40) ======================= q-point: ( 0.00 0.33 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 56 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.314 ( 0.000 2.423 17.469) 17.636 1.375 ( 0.000 -2.601 13.494) 13.742 1.522 ( 0.000 10.197 17.404) 20.171 1.775 ( 0.000 -13.650 10.661) 17.320 1.776 ( 0.000 8.431 11.836) 14.532 1.890 ( 0.000 -4.032 7.788) 8.770 2.058 ( 0.000 8.588 5.772) 10.347 2.243 ( 0.000 5.895 7.840) 9.809 2.245 ( 0.000 -10.152 5.092) 11.358 2.256 ( 0.000 6.998 13.333) 15.058 2.348 ( 0.000 -5.924 3.882) 7.082 2.446 ( 0.000 1.546 7.257) 7.420 2.457 ( 0.000 -11.411 12.818) 17.162 2.484 ( 0.000 -2.817 1.169) 3.050 2.565 ( 0.000 4.483 4.505) 6.356 2.603 ( 0.000 -1.286 0.409) 1.349 2.605 ( 0.000 1.438 -6.241) 6.404 2.647 ( 0.000 -0.872 -2.178) 2.346 2.729 ( 0.000 1.622 3.911) 4.234 2.749 ( 0.000 1.067 4.458) 4.584 2.874 ( 0.000 8.980 1.518) 9.107 3.015 ( 0.000 0.354 -4.356) 4.370 3.024 ( 0.000 -1.102 -5.319) 5.432 3.038 ( 0.000 2.635 1.557) 3.061 3.071 ( 0.000 -9.927 2.770) 10.306 3.125 ( 0.000 -5.742 -3.074) 6.513 3.247 ( 0.000 4.482 -8.540) 9.645 3.283 ( 0.000 10.198 -4.594) 11.185 3.326 ( 0.000 -3.706 -8.954) 9.691 3.376 ( 0.000 1.097 -2.848) 3.052 3.388 ( 0.000 0.278 -3.802) 3.812 3.479 ( 0.000 -8.768 -10.270) 13.503 3.540 ( 0.000 3.590 -2.362) 4.298 3.581 ( 0.000 -1.342 -7.216) 7.340 3.862 ( 0.000 -1.576 5.144) 5.380 3.872 ( 0.000 -2.292 5.368) 5.837 4.008 ( 0.000 4.721 -1.224) 4.877 4.027 ( 0.000 6.569 1.585) 6.758 4.111 ( 0.000 -2.005 2.724) 3.382 4.134 ( 0.000 4.942 1.740) 5.240 4.198 ( 0.000 -2.833 3.775) 4.720 4.238 ( 0.000 1.733 -3.855) 4.227 4.297 ( 0.000 5.871 -1.128) 5.978 4.374 ( 0.000 -2.545 -7.500) 7.920 4.433 ( 0.000 4.107 -7.886) 8.892 4.532 ( 0.000 -8.254 -11.167) 13.886 4.592 ( 0.000 -6.422 8.043) 10.293 4.594 ( 0.000 -3.657 -2.775) 4.591 4.823 ( 0.000 -1.174 -1.284) 1.739 4.876 ( 0.000 -2.621 -0.331) 2.642 4.901 ( 0.000 1.333 -3.405) 3.657 4.924 ( 0.000 -0.087 0.301) 0.313 5.134 ( 0.000 4.193 5.278) 6.740 5.213 ( 0.000 -4.651 3.411) 5.768 5.512 ( 0.000 0.556 2.849) 2.903 5.556 ( 0.000 -3.513 3.949) 5.285 5.745 ( 0.000 0.416 -0.062) 0.420 5.752 ( 0.000 -0.145 -2.014) 2.019 5.757 ( 0.000 7.704 1.169) 7.792 5.840 ( 0.000 -1.375 -2.022) 2.445 5.842 ( 0.000 5.928 -6.153) 8.543 5.932 ( 0.000 -3.516 -3.354) 4.859 6.035 ( 0.000 -0.394 -3.068) 3.093 6.072 ( 0.000 -4.390 -0.137) 4.392 6.211 ( 0.000 1.051 5.219) 5.324 6.233 ( 0.000 -1.230 5.136) 5.281 6.392 ( 0.000 8.075 -0.006) 8.075 6.456 ( 0.000 2.047 -1.335) 2.444 6.464 ( 0.000 -1.176 1.720) 2.084 6.525 ( 0.000 -3.479 -1.256) 3.698 6.738 ( 0.000 3.127 -1.120) 3.321 6.779 ( 0.000 -1.746 -2.745) 3.254 6.802 ( 0.000 4.225 -3.571) 5.532 6.891 ( 0.000 -4.443 -4.020) 5.992 7.197 ( 0.000 2.328 -4.427) 5.002 7.257 ( 0.000 -3.861 -4.838) 6.189 7.452 ( 0.000 9.808 0.962) 9.855 7.544 ( 0.000 3.704 -0.611) 3.754 7.717 ( 0.000 -3.191 -1.806) 3.666 7.763 ( 0.000 -6.389 -1.765) 6.629 7.970 ( 0.000 -2.826 2.160) 3.557 7.980 ( 0.000 -4.981 -1.159) 5.114 8.137 ( 0.000 2.318 1.527) 2.776 8.190 ( 0.000 -2.513 1.336) 2.846 8.359 ( 0.000 10.689 3.011) 11.105 8.412 ( 0.000 6.950 -0.100) 6.951 8.578 ( 0.000 -8.232 -1.204) 8.320 8.606 ( 0.000 -12.390 1.203) 12.448 8.871 ( 0.000 6.142 3.143) 6.900 8.956 ( 0.000 -3.007 3.905) 4.928 9.200 ( 0.000 2.255 3.956) 4.553 9.236 ( 0.000 -1.766 3.800) 4.191 9.322 ( 0.000 2.683 3.083) 4.087 9.328 ( 0.000 1.300 -2.213) 2.567 9.383 ( 0.000 -1.142 -2.376) 2.636 9.395 ( 0.000 -1.254 3.158) 3.398 9.525 ( 0.000 6.649 2.931) 7.266 9.596 ( 0.000 -1.116 0.019) 1.116 9.724 ( 0.000 -0.881 -0.370) 0.955 9.767 ( 0.000 -4.073 2.599) 4.831 9.874 ( 0.000 3.632 -0.761) 3.711 9.920 ( 0.000 -1.388 -1.077) 1.757 10.337 ( 0.000 1.651 8.317) 8.479 10.373 ( 0.000 -1.917 7.658) 7.894 10.954 ( 0.000 0.171 -1.010) 1.024 10.956 ( 0.000 -0.059 -1.619) 1.620 10.996 ( 0.000 0.127 -1.289) 1.296 11.003 ( 0.000 -0.533 -1.546) 1.635 11.103 ( 0.000 0.347 -4.036) 4.051 11.108 ( 0.000 -0.126 -3.629) 3.631 12.305 ( 0.000 1.942 7.814) 8.052 12.343 ( 0.000 -1.870 6.425) 6.692 12.732 ( 0.000 1.643 7.299) 7.482 12.770 ( 0.000 -2.113 8.761) 9.012 13.209 ( 0.000 0.248 10.298) 10.301 13.224 ( 0.000 -1.166 9.095) 9.170 13.894 ( 0.000 0.738 2.492) 2.599 13.915 ( 0.000 -1.769 0.679) 1.895 14.096 ( 0.000 0.122 -8.430) 8.431 14.142 ( 0.000 -3.558 -9.705) 10.337 14.274 ( 0.000 5.014 -6.220) 7.989 14.338 ( 0.000 -2.268 -6.459) 6.846 14.452 ( 0.000 2.061 -10.587) 10.785 14.463 ( 0.000 0.068 -7.688) 7.688 14.705 ( 0.000 7.965 2.576) 8.371 14.900 ( 0.000 -11.280 0.541) 11.293 14.920 ( 0.000 5.410 -1.401) 5.589 15.021 ( 0.000 -5.118 -7.589) 9.154 15.047 ( 0.000 6.994 3.196) 7.690 15.212 ( 0.000 -9.462 -0.446) 9.472 15.332 ( 0.000 7.477 -3.339) 8.189 15.424 ( 0.000 -0.891 -5.678) 5.747 15.939 ( 0.000 4.647 2.725) 5.387 16.015 ( 0.000 -3.572 2.000) 4.094 16.688 ( 0.000 0.580 1.384) 1.501 16.741 ( 0.000 -4.203 1.375) 4.422 16.863 ( 0.000 6.121 5.645) 8.327 16.940 ( 0.000 -0.453 4.595) 4.617 16.962 ( 0.000 0.932 7.288) 7.347 17.040 ( 0.000 -8.267 7.888) 11.427 17.309 ( 0.000 9.323 -0.092) 9.323 17.340 ( 0.000 6.413 6.874) 9.401 17.465 ( 0.000 -6.999 5.718) 9.038 17.537 ( 0.000 -13.624 -5.724) 14.778 17.631 ( 0.000 2.783 -6.377) 6.958 17.646 ( 0.000 1.492 -6.196) 6.373 17.781 ( 0.000 -0.426 -4.455) 4.475 17.785 ( 0.000 -2.028 -5.092) 5.481 18.238 ( 0.000 6.631 -5.906) 8.880 18.260 ( 0.000 8.664 -5.725) 10.385 18.319 ( 0.000 -2.049 -7.420) 7.698 18.428 ( 0.000 -8.160 -10.527) 13.319 18.795 ( 0.000 2.276 -2.074) 3.079 18.836 ( 0.000 -1.968 -4.286) 4.717 18.989 ( 0.000 1.024 -3.552) 3.697 19.006 ( 0.000 -0.578 -0.440) 0.726 19.630 ( 0.000 6.111 6.924) 9.235 19.737 ( 0.000 -4.026 0.613) 4.072 19.776 ( 0.000 0.260 -1.119) 1.149 19.789 ( 0.000 -0.796 -2.221) 2.359 19.949 ( 0.000 0.557 -0.363) 0.665 19.977 ( 0.000 -2.646 -0.666) 2.729 20.419 ( 0.000 1.840 5.995) 6.271 20.452 ( 0.000 -1.602 3.458) 3.811 20.549 ( 0.000 2.771 0.246) 2.781 20.596 ( 0.000 -1.859 0.208) 1.871 20.759 ( 0.000 1.070 -5.096) 5.207 20.779 ( 0.000 -0.860 -5.159) 5.230 ======================= Grid point 71 (30/40) ======================= q-point: ( 0.17 0.33 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 81 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.235 ( -4.044 4.127 15.072) 16.142 1.347 ( -2.822 -7.382 13.303) 15.474 1.514 ( -0.227 12.412 16.374) 20.548 1.770 ( -1.751 -8.584 10.704) 13.832 1.786 ( 0.047 5.262 5.221) 7.413 1.909 ( 0.379 -0.973 7.881) 7.950 2.002 ( -5.955 4.725 5.871) 9.606 2.097 ( -8.551 0.610 2.511) 8.933 2.184 ( -7.887 -0.444 6.531) 10.249 2.207 ( -5.344 1.829 13.245) 14.399 2.330 ( -1.266 -4.172 6.637) 7.941 2.386 ( -6.764 -2.564 9.143) 11.659 2.424 ( -2.447 -1.652 4.370) 5.274 2.468 ( -1.121 -6.512 3.311) 7.391 2.547 ( -4.590 -0.086 -7.056) 8.418 2.549 ( -2.773 -0.874 -0.109) 2.909 2.565 ( -1.258 0.986 2.793) 3.218 2.600 ( -3.643 -2.149 1.645) 4.538 2.723 ( 0.343 3.483 6.008) 6.953 2.779 ( 0.415 -1.583 3.626) 3.978 2.840 ( -2.574 8.507 -2.218) 9.160 2.920 ( -8.318 1.027 -1.046) 8.446 2.941 ( -7.355 -0.804 -3.931) 8.379 2.969 ( -4.204 -2.015 -0.478) 4.687 3.048 ( -0.191 -0.200 0.371) 0.463 3.120 ( 2.965 -6.983 2.366) 7.947 3.220 ( 0.445 7.184 -3.861) 8.168 3.267 ( -2.449 7.579 -2.465) 8.338 3.335 ( -0.066 -2.712 -4.768) 5.485 3.364 ( -0.796 -1.299 -7.729) 7.878 3.440 ( 3.020 -2.689 -1.811) 4.431 3.465 ( 4.335 -2.751 -2.206) 5.588 3.638 ( 3.853 2.249 -1.438) 4.688 3.702 ( 5.794 -3.894 -3.015) 7.604 3.874 ( 0.847 1.931 1.800) 2.773 3.910 ( 3.099 -0.909 2.842) 4.302 4.004 ( -0.504 5.374 1.746) 5.673 4.065 ( 2.170 3.949 -1.183) 4.658 4.090 ( 1.378 1.645 2.473) 3.274 4.162 ( -0.980 -2.598 -0.221) 2.786 4.206 ( 1.269 2.062 0.769) 2.541 4.258 ( 2.867 -0.866 -1.113) 3.195 4.357 ( 2.824 1.671 -1.781) 3.733 4.380 ( 0.629 -1.404 -4.239) 4.510 4.433 ( -1.749 0.599 -6.164) 6.435 4.471 ( 0.308 -0.159 -2.963) 2.983 4.562 ( -2.776 -2.803 -2.749) 4.808 4.623 ( -0.486 -6.708 1.023) 6.803 4.778 ( -3.261 -1.574 -0.581) 3.668 4.805 ( -1.750 -1.942 -2.210) 3.423 4.970 ( 4.948 3.522 -4.557) 7.593 5.068 ( 7.457 -6.214 -1.967) 9.904 5.141 ( 2.039 5.533 2.465) 6.392 5.227 ( 0.234 -3.989 0.072) 3.996 5.503 ( -0.765 0.371 4.913) 4.986 5.539 ( 0.061 -2.700 6.507) 7.045 5.713 ( -1.371 3.182 -0.225) 3.472 5.731 ( -0.678 -0.337 0.309) 0.818 5.789 ( 0.233 4.905 -0.750) 4.967 5.829 ( 0.088 1.685 -1.359) 2.167 5.879 ( 2.441 2.502 -1.128) 3.673 5.950 ( 1.808 -4.088 -3.208) 5.502 6.031 ( -0.119 -0.397 -3.182) 3.209 6.073 ( -0.184 -3.969 -0.973) 4.090 6.213 ( 1.011 3.859 3.995) 5.646 6.277 ( 1.786 -2.236 0.147) 2.866 6.374 ( -2.772 2.930 2.628) 4.814 6.408 ( -0.680 0.005 1.865) 1.985 6.496 ( 2.437 2.805 -1.757) 4.110 6.559 ( 2.343 -2.636 -1.718) 3.923 6.730 ( -2.201 2.366 -1.756) 3.678 6.738 ( -0.930 1.603 -1.349) 2.293 6.777 ( -2.216 1.812 -3.726) 4.699 6.855 ( -3.052 -4.500 -4.023) 6.764 7.172 ( -2.619 2.248 -3.281) 4.762 7.225 ( -3.223 -3.207 -3.925) 6.006 7.432 ( -1.593 8.808 1.474) 9.072 7.517 ( -2.343 4.054 -0.240) 4.689 7.669 ( -3.942 -6.385 -1.354) 7.625 7.717 ( -3.885 -7.983 -1.391) 8.986 7.963 ( 0.036 0.774 0.497) 0.921 7.989 ( 0.683 -0.716 0.620) 1.167 8.135 ( -0.230 1.619 1.728) 2.379 8.197 ( -0.410 -3.772 1.609) 4.121 8.387 ( 2.158 10.281 1.809) 10.659 8.455 ( 3.828 8.157 -0.964) 9.062 8.608 ( 1.758 -11.455 0.424) 11.597 8.636 ( 3.018 -10.472 -0.812) 10.929 8.970 ( 8.663 6.201 3.129) 11.104 9.054 ( 8.276 -3.015 3.157) 9.357 9.245 ( 4.012 1.831 3.414) 5.577 9.274 ( 3.324 -1.316 2.718) 4.491 9.350 ( 2.577 2.303 0.795) 3.547 9.362 ( 2.706 0.897 -0.013) 2.851 9.404 ( 2.068 -0.394 -1.913) 2.844 9.437 ( 2.955 -2.232 2.571) 4.508 9.549 ( 2.255 7.042 1.482) 7.541 9.614 ( 1.724 -0.755 0.874) 2.075 9.725 ( -0.099 -0.691 -0.120) 0.708 9.771 ( 0.413 -4.200 2.108) 4.717 9.899 ( 2.424 3.611 -0.176) 4.352 9.949 ( 2.743 -1.723 -1.025) 3.397 10.313 ( -2.479 2.017 8.477) 9.059 10.356 ( -1.998 -2.206 7.588) 8.151 10.993 ( 4.090 0.735 -1.295) 4.352 11.011 ( 4.926 -1.099 -1.066) 5.159 11.068 ( 7.162 0.458 -0.809) 7.222 11.076 ( 7.414 -0.336 -1.094) 7.502 11.156 ( 4.487 0.688 -3.471) 5.714 11.169 ( 5.205 -0.621 -3.828) 6.491 12.214 ( -8.575 2.081 7.069) 11.306 12.255 ( -8.383 -1.996 5.693) 10.328 12.713 ( -1.517 1.566 7.220) 7.542 12.748 ( -1.760 -1.971 8.350) 8.758 13.139 ( -6.433 0.685 9.699) 11.658 13.160 ( -6.039 -1.439 8.603) 10.609 13.915 ( 1.936 0.998 2.516) 3.328 13.938 ( 2.108 -1.766 0.632) 2.822 14.100 ( 0.231 -0.369 -7.592) 7.605 14.143 ( -0.009 -3.762 -8.940) 9.699 14.264 ( -0.648 4.670 -6.196) 7.786 14.321 ( -1.422 -1.742 -6.068) 6.471 14.423 ( -2.618 2.464 -9.830) 10.466 14.444 ( -1.970 -0.299 -8.301) 8.537 14.710 ( 0.494 7.560 2.465) 7.967 14.894 ( -0.340 -9.605 0.284) 9.615 14.926 ( -1.809 2.257 -1.886) 3.453 14.984 ( -0.737 1.252 -2.113) 2.564 15.087 ( 2.661 1.313 -0.019) 2.968 15.227 ( 1.523 -8.220 1.867) 8.566 15.319 ( -0.949 6.502 -2.843) 7.159 15.400 ( -1.832 -0.954 -3.980) 4.484 15.976 ( 5.767 9.171 2.668) 11.157 16.141 ( 9.669 -7.588 -1.207) 12.350 16.701 ( 0.710 1.408 1.817) 2.406 16.768 ( 2.018 -3.364 1.762) 4.300 16.917 ( 4.616 2.266 5.135) 7.267 16.988 ( 2.731 -2.013 5.739) 6.667 16.991 ( 3.824 2.348 3.786) 5.871 17.068 ( 2.053 -5.741 7.034) 9.309 17.314 ( 0.332 7.420 1.060) 7.502 17.342 ( 0.982 6.439 4.064) 7.677 17.449 ( -1.320 -5.899 4.571) 7.579 17.516 ( -1.730 -9.777 -4.848) 11.049 17.632 ( -0.280 2.609 -5.490) 6.085 17.651 ( 0.418 -0.703 -6.497) 6.548 17.765 ( -0.778 1.215 -3.562) 3.843 17.798 ( 0.669 -2.836 -4.470) 5.336 18.141 ( -5.918 6.936 -3.960) 9.940 18.241 ( -5.683 -2.795 -5.784) 8.577 18.274 ( -1.559 6.487 -8.554) 10.848 18.397 ( -3.544 -6.011 -11.259) 13.246 18.835 ( 3.197 1.411 -0.715) 3.567 18.863 ( 1.909 -1.470 -3.791) 4.491 18.982 ( -0.591 1.122 -3.436) 3.662 19.004 ( -0.013 -0.917 -0.283) 0.959 19.579 ( -4.449 6.297 6.322) 9.971 19.692 ( -4.116 -4.745 1.716) 6.512 19.803 ( 2.809 1.045 -1.140) 3.207 19.819 ( 2.718 -0.616 -1.506) 3.167 19.853 ( -8.131 0.778 3.405) 8.849 19.890 ( -7.510 -3.168 2.098) 8.416 20.386 ( -3.642 3.279 5.364) 7.265 20.442 ( -1.383 -2.341 2.085) 3.426 20.517 ( -2.546 0.832 -1.257) 2.959 20.536 ( -4.440 -0.759 -0.766) 4.569 20.727 ( -3.021 0.862 -5.601) 6.421 20.743 ( -3.319 -0.700 -5.379) 6.360 ======================= Grid point 72 (31/40) ======================= q-point: ( 0.33 0.33 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 82 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.230 ( 4.230 4.256 8.463) 10.375 1.331 ( 2.894 -6.176 7.359) 10.034 1.517 ( -0.215 12.242 10.424) 16.081 1.670 ( -6.986 1.826 6.311) 9.590 1.727 ( -9.562 -0.180 -0.815) 9.598 1.813 ( -4.077 -6.129 4.524) 8.640 1.900 ( -13.426 -1.167 5.753) 14.654 1.919 ( -6.346 -2.104 4.887) 8.281 1.961 ( -0.303 11.373 10.591) 15.544 2.139 ( -3.585 -0.443 5.046) 6.206 2.218 ( -6.857 -3.856 6.069) 9.936 2.246 ( -5.577 -3.295 3.561) 7.392 2.403 ( -0.493 -3.498 3.471) 4.952 2.426 ( -2.489 -2.056 -0.199) 3.235 2.458 ( -2.708 -2.856 2.279) 4.548 2.492 ( -3.271 -3.796 0.510) 5.037 2.569 ( 2.099 0.942 3.373) 4.083 2.602 ( 2.954 -2.302 7.526) 8.407 2.695 ( -3.710 3.155 -0.916) 4.956 2.730 ( -1.389 1.814 0.396) 2.319 2.779 ( -4.462 -0.859 -1.589) 4.814 2.798 ( -1.605 0.697 3.871) 4.248 2.851 ( -1.867 2.364 3.474) 4.598 2.890 ( -2.876 -0.031 1.236) 3.131 3.091 ( 3.272 2.080 2.349) 4.533 3.177 ( 2.669 -3.966 1.737) 5.086 3.215 ( -2.733 8.550 -0.704) 9.004 3.281 ( 3.940 4.985 0.384) 6.365 3.339 ( -1.694 -1.403 -4.465) 4.977 3.366 ( 2.064 0.166 0.207) 2.081 3.484 ( 0.575 -6.014 0.650) 6.077 3.511 ( 0.177 -5.523 -0.106) 5.527 3.702 ( 2.953 3.873 2.024) 5.275 3.784 ( 3.279 -4.029 3.099) 6.049 3.862 ( -2.313 5.936 0.402) 6.383 3.953 ( -1.084 0.626 1.413) 1.888 4.017 ( 1.903 3.187 4.903) 6.149 4.077 ( 1.666 -1.834 -1.050) 2.691 4.120 ( -1.962 3.605 2.461) 4.786 4.184 ( 5.250 2.255 -2.927) 6.419 4.205 ( -1.041 1.911 0.995) 2.393 4.341 ( 3.223 -4.433 -3.659) 6.590 4.359 ( 0.170 -2.963 -1.870) 3.508 4.386 ( -1.343 3.661 -3.133) 5.002 4.416 ( -0.168 -0.973 -3.391) 3.532 4.492 ( -1.972 1.652 -2.207) 3.390 4.513 ( 0.485 -5.264 -0.665) 5.328 4.591 ( -2.163 -5.344 1.792) 6.037 4.747 ( 0.812 2.428 -3.622) 4.435 4.805 ( 2.625 -2.792 -4.345) 5.793 4.968 ( -4.898 4.535 -3.486) 7.530 5.068 ( -7.060 -5.642 -5.292) 10.473 5.271 ( 9.470 3.496 -2.427) 10.382 5.344 ( 10.570 -4.480 -1.641) 11.597 5.490 ( -0.593 1.685 4.434) 4.781 5.583 ( 2.070 -6.974 4.749) 8.688 5.689 ( -0.899 4.231 3.326) 5.457 5.723 ( -0.315 1.646 1.247) 2.089 5.781 ( -0.883 1.365 2.791) 3.230 5.824 ( -0.724 -0.363 -0.255) 0.849 5.935 ( 3.132 3.699 -0.011) 4.847 5.996 ( 1.786 -2.197 -1.299) 3.115 6.032 ( -0.127 -0.097 -0.502) 0.527 6.060 ( -1.030 -3.378 -0.914) 3.648 6.234 ( -0.091 5.751 0.608) 5.784 6.251 ( -2.586 5.868 -1.352) 6.553 6.325 ( -0.147 -0.952 -1.224) 1.558 6.417 ( -1.095 -8.224 1.236) 8.389 6.569 ( 3.933 2.703 -3.438) 5.882 6.611 ( 2.685 -1.252 -2.552) 3.910 6.687 ( -1.272 5.582 -2.746) 6.350 6.731 ( -2.245 0.430 -4.560) 5.101 6.765 ( 2.816 0.572 -0.683) 2.954 6.818 ( 2.613 -4.296 -1.269) 5.186 7.079 ( -6.415 1.759 -0.684) 6.687 7.119 ( -6.841 -2.277 -2.070) 7.501 7.402 ( -0.896 7.828 1.992) 8.127 7.458 ( -3.092 5.906 0.630) 6.696 7.593 ( -2.577 -9.682 -0.307) 10.024 7.632 ( -3.788 -9.904 -0.787) 10.633 7.972 ( 0.817 5.708 0.240) 5.771 8.005 ( 0.337 5.623 0.299) 5.641 8.129 ( 0.082 -4.345 1.633) 4.643 8.177 ( -1.325 -5.708 1.206) 5.982 8.442 ( 2.956 10.919 0.741) 11.336 8.511 ( 0.851 8.626 -1.310) 8.767 8.650 ( 2.219 -10.903 1.015) 11.173 8.687 ( 1.207 -9.571 -2.543) 9.976 9.178 ( 10.052 4.440 3.281) 11.468 9.240 ( 8.392 -2.195 2.476) 9.021 9.339 ( 4.085 1.252 1.134) 4.420 9.352 ( 3.574 -0.106 0.789) 3.662 9.404 ( 1.732 1.694 1.419) 2.808 9.422 ( 2.941 -1.539 0.618) 3.376 9.451 ( 0.877 0.377 -0.379) 1.027 9.467 ( 0.264 -0.119 1.248) 1.282 9.614 ( 3.286 5.584 -0.882) 6.539 9.664 ( 2.747 -1.029 2.820) 4.069 9.714 ( -0.621 0.431 0.304) 0.815 9.777 ( -0.246 -4.427 0.983) 4.542 9.973 ( 4.694 3.404 1.635) 6.024 10.029 ( 4.908 -2.329 0.258) 5.439 10.227 ( -5.786 2.578 7.499) 9.816 10.278 ( -5.425 -2.524 6.244) 8.648 11.113 ( 6.816 1.554 -0.968) 7.058 11.149 ( 7.528 -1.995 -1.140) 7.871 11.245 ( 2.953 1.229 -2.229) 3.899 11.276 ( 4.013 -1.810 -3.083) 5.374 11.291 ( 13.993 1.481 0.656) 14.086 11.314 ( 14.687 -0.791 0.053) 14.708 11.965 ( -14.923 2.232 5.208) 15.963 12.008 ( -14.968 -2.055 3.892) 15.602 12.698 ( 1.011 1.232 7.162) 7.337 12.725 ( 0.544 -1.472 7.434) 7.598 12.964 ( -9.594 0.999 8.733) 13.012 12.990 ( -9.639 -1.500 7.312) 12.191 13.969 ( 3.082 1.610 1.913) 3.968 13.995 ( 3.143 -1.362 0.411) 3.450 14.097 ( -0.734 -1.300 -4.870) 5.093 14.135 ( -1.051 -4.687 -5.820) 7.546 14.263 ( 0.889 3.020 -6.744) 7.443 14.293 ( -0.807 0.109 -6.074) 6.129 14.356 ( -3.417 2.597 -8.552) 9.569 14.384 ( -3.525 -0.649 -8.292) 9.033 14.728 ( 1.325 6.889 1.838) 7.252 14.847 ( -4.255 5.063 -0.225) 6.617 14.894 ( 0.443 -9.730 0.621) 9.760 14.965 ( -2.059 -6.451 -2.783) 7.321 15.166 ( 4.573 4.300 2.117) 6.625 15.269 ( 1.762 -0.107 0.930) 1.995 15.302 ( -0.506 2.054 -0.408) 2.154 15.364 ( -1.662 -0.189 -1.852) 2.496 16.186 ( 13.564 8.883 1.457) 16.279 16.376 ( 12.223 -9.256 -2.340) 15.510 16.681 ( -3.935 0.565 3.159) 5.078 16.777 ( -2.554 -5.686 2.003) 6.548 16.998 ( 1.833 3.262 5.403) 6.572 17.028 ( -0.752 5.446 2.772) 6.157 17.074 ( 5.890 -3.932 1.699) 7.283 17.141 ( 5.085 -4.308 3.385) 7.475 17.342 ( 2.359 4.346 1.530) 5.176 17.381 ( 1.797 2.167 1.941) 3.420 17.419 ( -1.557 -0.632 1.622) 2.335 17.479 ( -1.710 -4.639 -1.591) 5.194 17.636 ( 1.208 2.175 -3.785) 4.530 17.654 ( 0.753 -0.484 -5.164) 5.241 17.745 ( -1.498 2.244 -4.473) 5.223 17.800 ( -1.455 -2.823 -4.146) 5.222 18.056 ( -0.946 4.187 -3.623) 5.617 18.131 ( -3.441 -2.993 -7.363) 8.661 18.207 ( -4.648 4.069 -7.316) 9.575 18.281 ( -7.151 -3.366 -10.843) 13.417 18.895 ( 1.339 0.346 -2.048) 2.472 18.904 ( 3.388 -0.556 2.021) 3.984 18.965 ( -1.240 2.198 -3.526) 4.336 19.008 ( -0.018 -2.134 -0.379) 2.168 19.482 ( -3.603 6.255 5.969) 9.367 19.595 ( -4.448 -3.878 3.117) 6.674 19.649 ( -9.713 0.294 6.832) 11.878 19.697 ( -8.445 -4.371 5.996) 11.241 19.915 ( 7.031 1.082 0.066) 7.114 19.924 ( 6.837 0.220 -0.106) 6.841 20.260 ( -7.948 3.395 3.967) 9.510 20.324 ( -9.444 -3.039 2.015) 10.123 20.489 ( 1.325 1.257 -4.030) 4.424 20.511 ( 1.038 -1.001 -4.009) 4.261 20.643 ( -4.723 0.546 -6.243) 7.847 20.654 ( -4.770 -0.521 -5.581) 7.361 ======================= Grid point 73 (32/40) ======================= q-point: (-0.50 0.33 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 54 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.411 ( -12.456 3.512 0.786) 12.966 1.411 ( 12.456 3.512 0.786) 12.966 1.456 ( -6.332 1.270 2.211) 6.826 1.456 ( 6.332 1.270 2.211) 6.826 1.669 ( -4.460 3.573 7.887) 9.740 1.669 ( 4.460 3.573 7.887) 9.740 1.821 ( -2.363 -6.058 3.113) 7.209 1.821 ( 2.363 -6.058 3.113) 7.209 2.026 ( -5.318 5.400 8.992) 11.760 2.026 ( 5.318 5.400 8.992) 11.760 2.170 ( -1.269 -5.069 4.872) 7.144 2.170 ( 1.269 -5.069 4.872) 7.144 2.393 ( -0.202 -0.268 1.522) 1.558 2.393 ( 0.202 -0.268 1.522) 1.558 2.441 ( -1.185 -4.892 1.673) 5.305 2.441 ( 1.185 -4.892 1.673) 5.305 2.618 ( -2.103 2.700 0.386) 3.444 2.618 ( 2.103 2.700 0.386) 3.444 2.687 ( -2.921 -4.799 1.739) 5.881 2.687 ( 2.921 -4.799 1.739) 5.881 2.770 ( -3.057 5.599 4.944) 8.070 2.770 ( 3.057 5.599 4.944) 8.070 2.840 ( -2.613 -1.584 3.419) 4.585 2.840 ( 2.613 -1.584 3.419) 4.585 3.153 ( -2.829 6.509 1.510) 7.256 3.153 ( 2.829 6.509 1.510) 7.256 3.255 ( -4.260 -3.842 -0.883) 5.804 3.255 ( 4.260 -3.842 -0.883) 5.804 3.373 ( -2.354 4.430 2.489) 5.600 3.373 ( 2.354 4.430 2.489) 5.600 3.491 ( -1.234 -7.219 0.781) 7.365 3.491 ( 1.234 -7.219 0.781) 7.365 3.782 ( -4.226 5.526 2.052) 7.253 3.782 ( 4.226 5.526 2.052) 7.253 3.872 ( -4.511 -3.888 3.755) 7.040 3.872 ( 4.511 -3.888 3.755) 7.040 4.070 ( -2.859 6.359 4.492) 8.293 4.070 ( 2.859 6.359 4.492) 8.293 4.150 ( -3.689 -1.459 1.238) 4.156 4.150 ( 3.689 -1.459 1.238) 4.156 4.301 ( -5.293 2.381 -5.122) 7.741 4.301 ( 5.293 2.381 -5.122) 7.741 4.377 ( -1.167 -2.465 -3.369) 4.334 4.377 ( 1.167 -2.465 -3.369) 4.334 4.439 ( -2.499 0.335 -2.136) 3.305 4.439 ( 2.499 0.335 -2.136) 3.305 4.540 ( -2.250 -6.322 -0.413) 6.723 4.540 ( 2.250 -6.322 -0.413) 6.723 4.832 ( -6.546 4.940 -3.266) 8.828 4.832 ( 6.546 4.940 -3.266) 8.828 4.912 ( -6.783 -4.110 -4.699) 9.219 4.912 ( 6.783 -4.110 -4.699) 9.219 5.441 ( -5.382 2.301 -0.721) 5.898 5.441 ( 5.382 2.301 -0.721) 5.898 5.537 ( -6.649 -7.174 -1.594) 9.910 5.537 ( 6.649 -7.174 -1.594) 9.910 5.696 ( -1.824 6.338 3.770) 7.597 5.696 ( 1.824 6.338 3.770) 7.597 5.792 ( -2.136 -4.268 3.558) 5.953 5.792 ( 2.136 -4.268 3.558) 5.953 6.004 ( -2.762 2.243 1.202) 3.755 6.004 ( 2.762 2.243 1.202) 3.755 6.026 ( -1.808 -0.217 0.478) 1.882 6.026 ( 1.808 -0.217 0.478) 1.882 6.226 ( -0.939 7.312 -1.356) 7.496 6.226 ( 0.939 7.312 -1.356) 7.496 6.363 ( -3.107 -6.118 -1.893) 7.118 6.363 ( 3.107 -6.118 -1.893) 7.118 6.639 ( -2.703 2.086 -5.206) 6.226 6.639 ( 2.703 2.086 -5.206) 6.226 6.670 ( -2.768 -1.076 -4.798) 5.643 6.670 ( 2.768 -1.076 -4.798) 5.643 6.898 ( -6.248 3.245 2.231) 7.385 6.898 ( 6.248 3.245 2.231) 7.385 6.965 ( -5.487 -3.439 -1.026) 6.556 6.965 ( 5.487 -3.439 -1.026) 6.556 7.407 ( -1.450 7.236 1.680) 7.569 7.407 ( 1.450 7.236 1.680) 7.569 7.577 ( -1.099 -10.609 -0.190) 10.668 7.577 ( 1.099 -10.609 -0.190) 10.668 7.994 ( -1.118 8.658 0.075) 8.730 7.994 ( 1.118 8.658 0.075) 8.730 8.146 ( -1.402 -7.969 1.167) 8.175 8.146 ( 1.402 -7.969 1.167) 8.175 8.496 ( -1.964 10.137 -0.165) 10.327 8.496 ( 1.964 10.137 -0.165) 10.327 8.686 ( -1.037 -9.711 -1.266) 9.847 8.686 ( 1.037 -9.711 -1.266) 9.847 9.341 ( -3.449 2.175 1.804) 4.459 9.341 ( 3.449 2.175 1.804) 4.459 9.373 ( -1.639 -0.959 1.303) 2.303 9.373 ( 1.639 -0.959 1.303) 2.303 9.421 ( -1.327 2.601 1.069) 3.109 9.421 ( 1.327 2.601 1.069) 3.109 9.471 ( -1.143 -2.513 0.382) 2.788 9.471 ( 1.143 -2.513 0.382) 2.788 9.666 ( -1.831 4.410 0.844) 4.849 9.666 ( 1.831 4.410 0.844) 4.849 9.748 ( -2.530 -3.863 0.665) 4.665 9.748 ( 2.530 -3.863 0.665) 4.665 10.092 ( -6.567 3.089 4.699) 8.645 10.092 ( 6.567 3.089 4.699) 8.645 10.149 ( -6.427 -2.645 3.393) 7.734 10.149 ( 6.427 -2.645 3.393) 7.734 11.232 ( -3.283 2.258 -1.430) 4.233 11.232 ( 3.283 2.258 -1.430) 4.233 11.283 ( -3.194 -2.851 -1.662) 4.593 11.283 ( 3.194 -2.851 -1.662) 4.593 11.620 ( -14.248 2.529 2.793) 14.738 11.620 ( 14.248 2.529 2.793) 14.738 11.665 ( -14.773 -1.996 1.929) 15.032 11.665 ( 14.773 -1.996 1.929) 15.032 12.779 ( -5.635 1.253 7.980) 9.849 12.779 ( 5.635 1.253 7.980) 9.849 12.807 ( -5.742 -1.533 6.511) 8.815 12.807 ( 5.742 -1.533 6.511) 8.815 14.027 ( -1.577 2.191 0.092) 2.701 14.027 ( 1.577 2.191 0.092) 2.701 14.095 ( -1.978 -5.137 -2.270) 5.954 14.095 ( 1.978 -5.137 -2.270) 5.954 14.296 ( -1.954 2.169 -7.342) 7.902 14.296 ( 1.954 2.169 -7.342) 7.902 14.314 ( -2.738 0.169 -7.800) 8.268 14.314 ( 2.738 0.169 -7.800) 8.268 14.771 ( -2.898 6.168 0.921) 6.877 14.771 ( 2.898 6.168 0.921) 6.877 14.918 ( -1.899 -8.938 -0.713) 9.165 14.918 ( 1.899 -8.938 -0.713) 9.165 15.249 ( -2.997 5.110 0.361) 5.935 15.249 ( 2.997 5.110 0.361) 5.935 15.327 ( -1.927 -0.624 0.116) 2.029 15.327 ( 1.927 -0.624 0.116) 2.029 16.475 ( -11.789 5.375 1.683) 13.065 16.475 ( 11.789 5.375 1.683) 13.065 16.641 ( -8.963 -11.095 0.818) 14.287 16.641 ( 8.963 -11.095 0.818) 14.287 17.016 ( -0.879 9.551 3.433) 10.187 17.016 ( 0.879 9.551 3.433) 10.187 17.182 ( -2.771 -8.375 0.686) 8.848 17.182 ( 2.771 -8.375 0.686) 8.848 17.387 ( -1.497 2.433 2.087) 3.537 17.387 ( 1.497 2.433 2.087) 3.537 17.422 ( -3.080 -0.048 0.970) 3.229 17.422 ( 3.080 -0.048 0.970) 3.229 17.679 ( -2.003 2.741 -4.277) 5.461 17.679 ( 2.003 2.741 -4.277) 5.461 17.735 ( -3.425 -1.286 -4.821) 6.052 17.735 ( 3.425 -1.286 -4.821) 6.052 18.104 ( -4.548 1.675 -5.257) 7.150 18.104 ( 4.548 1.675 -5.257) 7.150 18.143 ( -4.680 -1.909 -9.319) 10.602 18.143 ( 4.680 -1.909 -9.319) 10.602 18.929 ( -1.966 2.400 -2.324) 3.876 18.929 ( 1.966 2.400 -2.324) 3.876 18.976 ( -3.088 -2.212 1.671) 4.150 18.976 ( 3.088 -2.212 1.671) 4.150 19.482 ( -4.066 4.253 7.769) 9.746 19.482 ( 4.066 4.253 7.769) 9.746 19.578 ( -2.243 -5.438 4.172) 7.211 19.578 ( 2.243 -5.438 4.172) 7.211 20.069 ( -4.652 3.171 2.128) 6.019 20.069 ( 4.652 3.171 2.128) 6.019 20.121 ( -6.229 -2.147 1.007) 6.665 20.121 ( 6.229 -2.147 1.007) 6.665 20.547 ( -3.939 0.745 -5.588) 6.878 20.547 ( 3.940 0.745 -5.588) 6.878 20.563 ( -3.575 -0.791 -5.460) 6.574 20.563 ( 3.575 -0.791 -5.460) 6.574 ======================= Grid point 84 (33/40) ======================= q-point: ( 0.00 0.00 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 40 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.585 ( 0.000 0.000 7.303) 7.303 1.604 ( 0.000 0.000 2.676) 2.676 1.699 ( 0.000 0.000 15.212) 15.212 1.929 ( 0.000 0.000 -6.265) 6.265 2.051 ( 0.000 0.000 7.391) 7.391 2.065 ( 0.000 0.000 18.303) 18.303 2.107 ( 0.000 0.000 8.171) 8.171 2.241 ( 0.000 0.000 -6.480) 6.480 2.327 ( 0.000 0.000 -12.909) 12.909 2.357 ( 0.000 0.000 0.834) 0.834 2.366 ( 0.000 0.000 2.443) 2.443 2.368 ( 0.000 0.000 -11.911) 11.911 2.535 ( 0.000 0.000 2.865) 2.865 2.569 ( 0.000 0.000 6.923) 6.923 2.590 ( 0.000 0.000 4.902) 4.902 2.603 ( 0.000 0.000 6.595) 6.595 2.682 ( 0.000 0.000 -1.213) 1.213 2.705 ( 0.000 0.000 2.097) 2.097 2.712 ( 0.000 0.000 -1.231) 1.231 2.729 ( 0.000 0.000 -8.648) 8.648 2.861 ( 0.000 0.000 10.551) 10.551 2.931 ( 0.000 0.000 -2.209) 2.209 2.986 ( 0.000 0.000 -7.116) 7.116 3.060 ( 0.000 0.000 4.556) 4.556 3.081 ( 0.000 0.000 -8.778) 8.778 3.145 ( 0.000 0.000 -4.672) 4.672 3.161 ( 0.000 0.000 4.251) 4.251 3.197 ( 0.000 0.000 3.696) 3.696 3.268 ( 0.000 0.000 -5.713) 5.713 3.292 ( 0.000 0.000 -4.478) 4.478 3.393 ( 0.000 0.000 0.022) 0.022 3.395 ( 0.000 0.000 1.897) 1.897 3.445 ( 0.000 0.000 -2.681) 2.681 3.452 ( 0.000 0.000 -3.962) 3.962 3.951 ( 0.000 0.000 3.002) 3.002 3.958 ( 0.000 0.000 4.588) 4.588 4.036 ( 0.000 0.000 3.542) 3.542 4.041 ( 0.000 0.000 -5.597) 5.597 4.062 ( 0.000 0.000 -2.662) 2.662 4.133 ( 0.000 0.000 9.065) 9.065 4.163 ( 0.000 0.000 -7.951) 7.951 4.222 ( 0.000 0.000 -0.634) 0.634 4.294 ( 0.000 0.000 9.364) 9.364 4.421 ( 0.000 0.000 1.707) 1.707 4.451 ( 0.000 0.000 -1.984) 1.984 4.531 ( 0.000 0.000 13.088) 13.088 4.574 ( 0.000 0.000 2.077) 2.077 4.584 ( 0.000 0.000 -12.353) 12.353 4.628 ( 0.000 0.000 -3.041) 3.041 4.873 ( 0.000 0.000 -10.597) 10.597 5.017 ( 0.000 0.000 4.318) 4.318 5.044 ( 0.000 0.000 2.796) 2.796 5.163 ( 0.000 0.000 5.137) 5.137 5.248 ( 0.000 0.000 -2.846) 2.846 5.523 ( 0.000 0.000 0.340) 0.340 5.627 ( 0.000 0.000 -7.292) 7.292 5.696 ( 0.000 0.000 3.145) 3.145 5.699 ( 0.000 0.000 3.175) 3.175 5.786 ( 0.000 0.000 3.818) 3.818 5.811 ( 0.000 0.000 3.622) 3.622 5.837 ( 0.000 0.000 -0.156) 0.156 5.900 ( 0.000 0.000 -5.669) 5.669 5.948 ( 0.000 0.000 -0.645) 0.645 6.054 ( 0.000 0.000 -9.891) 9.891 6.262 ( 0.000 0.000 7.237) 7.237 6.287 ( 0.000 0.000 3.059) 3.059 6.331 ( 0.000 0.000 1.115) 1.115 6.431 ( 0.000 0.000 -5.426) 5.426 6.450 ( 0.000 0.000 1.146) 1.146 6.498 ( 0.000 0.000 -3.752) 3.752 6.718 ( 0.000 0.000 3.074) 3.074 6.751 ( 0.000 0.000 1.018) 1.018 6.766 ( 0.000 0.000 -0.716) 0.716 6.816 ( 0.000 0.000 -5.821) 5.821 7.139 ( 0.000 0.000 0.959) 0.959 7.200 ( 0.000 0.000 -4.549) 4.549 7.401 ( 0.000 0.000 2.205) 2.205 7.438 ( 0.000 0.000 -1.678) 1.678 7.762 ( 0.000 0.000 1.111) 1.111 7.791 ( 0.000 0.000 -1.789) 1.789 8.029 ( 0.000 0.000 0.675) 0.675 8.056 ( 0.000 0.000 -0.864) 0.864 8.165 ( 0.000 0.000 1.229) 1.229 8.195 ( 0.000 0.000 -1.813) 1.813 8.278 ( 0.000 0.000 2.044) 2.044 8.305 ( 0.000 0.000 -0.687) 0.687 8.740 ( 0.000 0.000 1.832) 1.832 8.783 ( 0.000 0.000 -1.447) 1.447 8.830 ( 0.000 0.000 4.914) 4.914 8.928 ( 0.000 0.000 -4.500) 4.500 9.246 ( 0.000 0.000 3.498) 3.498 9.302 ( 0.000 0.000 1.077) 1.077 9.307 ( 0.000 0.000 -2.353) 2.353 9.324 ( 0.000 0.000 -0.639) 0.639 9.347 ( 0.000 0.000 3.104) 3.104 9.392 ( 0.000 0.000 -0.823) 0.823 9.582 ( 0.000 0.000 2.804) 2.804 9.607 ( 0.000 0.000 -0.272) 0.272 9.750 ( 0.000 0.000 3.284) 3.284 9.822 ( 0.000 0.000 -2.140) 2.140 9.858 ( 0.000 0.000 2.189) 2.189 9.899 ( 0.000 0.000 -1.816) 1.816 10.450 ( 0.000 0.000 3.969) 3.969 10.480 ( 0.000 0.000 1.232) 1.232 10.942 ( 0.000 0.000 0.728) 0.728 10.956 ( 0.000 0.000 0.868) 0.868 10.984 ( 0.000 0.000 -0.150) 0.150 10.988 ( 0.000 0.000 -0.572) 0.572 11.012 ( 0.000 0.000 -3.143) 3.143 11.032 ( 0.000 0.000 -3.571) 3.571 12.421 ( 0.000 0.000 4.219) 4.219 12.444 ( 0.000 0.000 1.871) 1.871 12.846 ( 0.000 0.000 5.443) 5.443 12.900 ( 0.000 0.000 0.985) 0.985 13.361 ( 0.000 0.000 3.931) 3.931 13.361 ( 0.000 0.000 3.535) 3.535 13.958 ( 0.000 0.000 1.721) 1.721 13.972 ( 0.000 0.000 2.693) 2.693 13.999 ( 0.000 0.000 -3.079) 3.079 14.022 ( 0.000 0.000 -4.910) 4.910 14.118 ( 0.000 0.000 0.039) 0.039 14.226 ( 0.000 0.000 -8.091) 8.091 14.244 ( 0.000 0.000 -2.288) 2.288 14.302 ( 0.000 0.000 -7.002) 7.002 14.723 ( 0.000 0.000 5.520) 5.520 14.870 ( 0.000 0.000 -8.869) 8.869 14.984 ( 0.000 0.000 8.033) 8.033 15.079 ( 0.000 0.000 1.015) 1.015 15.105 ( 0.000 0.000 6.248) 6.248 15.158 ( 0.000 0.000 -2.655) 2.655 15.202 ( 0.000 0.000 -8.510) 8.510 15.228 ( 0.000 0.000 -5.583) 5.583 15.983 ( 0.000 0.000 5.628) 5.628 16.062 ( 0.000 0.000 -1.668) 1.668 16.733 ( 0.000 0.000 2.368) 2.368 16.778 ( 0.000 0.000 -1.718) 1.718 17.024 ( 0.000 0.000 11.963) 11.963 17.041 ( 0.000 0.000 3.798) 3.798 17.060 ( 0.000 0.000 2.611) 2.611 17.210 ( 0.000 0.000 -3.611) 3.611 17.298 ( 0.000 0.000 5.444) 5.444 17.420 ( 0.000 0.000 6.714) 6.714 17.465 ( 0.000 0.000 -10.397) 10.397 17.508 ( 0.000 0.000 -2.852) 2.852 17.542 ( 0.000 0.000 -0.012) 0.012 17.595 ( 0.000 0.000 -1.750) 1.750 17.661 ( 0.000 0.000 -3.334) 3.334 17.691 ( 0.000 0.000 -5.867) 5.867 18.098 ( 0.000 0.000 -0.229) 0.229 18.114 ( 0.000 0.000 -1.755) 1.755 18.241 ( 0.000 0.000 -1.289) 1.289 18.298 ( 0.000 0.000 -6.831) 6.831 18.810 ( 0.000 0.000 0.408) 0.408 18.855 ( 0.000 0.000 5.905) 5.905 18.864 ( 0.000 0.000 -4.529) 4.529 18.970 ( 0.000 0.000 -4.448) 4.448 19.728 ( 0.000 0.000 -0.292) 0.292 19.746 ( 0.000 0.000 6.345) 6.345 19.747 ( 0.000 0.000 -2.021) 2.021 19.801 ( 0.000 0.000 0.328) 0.328 19.940 ( 0.000 0.000 0.321) 0.321 19.969 ( 0.000 0.000 -2.170) 2.170 20.532 ( 0.000 0.000 4.969) 4.969 20.536 ( 0.000 0.000 4.300) 4.300 20.542 ( 0.000 0.000 2.074) 2.074 20.601 ( 0.000 0.000 -1.922) 1.922 20.631 ( 0.000 0.000 -5.186) 5.186 20.662 ( 0.000 0.000 -6.352) 6.352 ======================= Grid point 85 (34/40) ======================= q-point: ( 0.17 0.00 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 54 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.469 ( -6.398 0.000 11.105) 12.816 1.659 ( -0.126 0.000 -6.249) 6.250 1.682 ( -2.210 0.000 12.469) 12.663 1.753 ( -11.566 0.000 6.179) 13.113 2.007 ( -7.913 0.000 5.415) 9.589 2.020 ( -3.229 0.000 9.399) 9.938 2.084 ( -5.735 0.000 3.165) 6.550 2.186 ( -8.922 0.000 6.578) 11.085 2.220 ( -4.110 0.000 -2.702) 4.918 2.259 ( -1.333 0.000 -9.729) 9.820 2.322 ( -6.275 0.000 -8.542) 10.600 2.327 ( -3.108 0.000 -7.764) 8.363 2.416 ( -8.339 0.000 6.194) 10.388 2.545 ( -4.952 0.000 -1.529) 5.183 2.607 ( 1.378 0.000 4.159) 4.382 2.626 ( 2.019 0.000 8.673) 8.905 2.662 ( -1.975 0.000 1.627) 2.559 2.664 ( -1.841 0.000 -1.113) 2.151 2.708 ( -2.652 0.000 -3.944) 4.753 2.744 ( 1.547 0.000 -2.768) 3.171 2.811 ( -1.693 0.000 7.510) 7.698 2.853 ( -8.098 0.000 -2.104) 8.367 2.920 ( -6.914 0.000 -2.064) 7.215 2.935 ( -4.928 0.000 -6.161) 7.890 3.115 ( 3.693 0.000 4.918) 6.150 3.156 ( 2.296 0.000 5.477) 5.938 3.203 ( 4.528 0.000 -1.275) 4.704 3.254 ( -1.669 0.000 1.827) 2.474 3.263 ( 3.295 0.000 -3.701) 4.955 3.339 ( -0.911 0.000 -2.277) 2.453 3.419 ( 9.983 0.000 2.487) 10.289 3.511 ( 5.169 0.000 -1.025) 5.270 3.517 ( 5.503 0.000 -1.810) 5.793 3.569 ( 7.793 0.000 -7.856) 11.066 3.962 ( 0.877 0.000 3.546) 3.652 3.976 ( 1.691 0.000 4.727) 5.020 4.017 ( 0.031 0.000 -0.783) 0.784 4.068 ( 0.549 0.000 -0.521) 0.757 4.127 ( 3.782 0.000 1.201) 3.968 4.134 ( 1.849 0.000 5.407) 5.715 4.203 ( 3.140 0.000 -6.774) 7.467 4.258 ( 2.368 0.000 -3.301) 4.062 4.305 ( -0.382 0.000 8.812) 8.821 4.420 ( -5.590 0.000 8.961) 10.562 4.462 ( 0.872 0.000 -2.601) 2.744 4.463 ( 4.385 0.000 3.038) 5.335 4.493 ( -5.544 0.000 -3.365) 6.485 4.614 ( 2.779 0.000 -10.497) 10.859 4.669 ( -0.696 0.000 2.134) 2.244 4.797 ( -4.958 0.000 -5.047) 7.074 5.076 ( 6.092 0.000 5.211) 8.017 5.100 ( -5.698 0.000 4.395) 7.196 5.162 ( 8.048 0.000 -2.116) 8.322 5.189 ( -5.871 0.000 -4.205) 7.222 5.565 ( 3.154 0.000 -0.428) 3.183 5.624 ( -0.246 0.000 -5.045) 5.051 5.666 ( -0.504 0.000 4.152) 4.183 5.720 ( 0.308 0.000 0.551) 0.632 5.810 ( 1.539 0.000 3.032) 3.400 5.818 ( 1.284 0.000 6.708) 6.830 5.870 ( 2.219 0.000 -1.166) 2.506 5.935 ( 2.570 0.000 -4.770) 5.418 5.946 ( 1.062 0.000 0.498) 1.173 6.066 ( 1.123 0.000 -9.624) 9.690 6.208 ( -2.730 0.000 4.401) 5.179 6.254 ( -3.092 0.000 1.870) 3.614 6.403 ( 4.668 0.000 0.616) 4.708 6.407 ( -3.318 0.000 3.210) 4.616 6.468 ( 3.042 0.000 -3.468) 4.613 6.496 ( -0.436 0.000 -5.426) 5.444 6.707 ( -4.223 0.000 1.407) 4.451 6.723 ( 0.838 0.000 2.177) 2.333 6.731 ( -2.907 0.000 -0.926) 3.051 6.794 ( -1.393 0.000 -4.452) 4.665 7.120 ( -1.827 0.000 0.670) 1.946 7.171 ( -2.794 0.000 -3.901) 4.798 7.395 ( -0.479 0.000 2.363) 2.411 7.432 ( -0.570 0.000 -1.357) 1.471 7.755 ( -0.913 0.000 0.820) 1.227 7.779 ( -1.284 0.000 -1.517) 1.988 7.958 ( -4.785 0.000 0.309) 4.795 7.974 ( -5.211 0.000 -0.755) 5.265 8.218 ( 4.397 0.000 3.234) 5.458 8.264 ( -0.930 0.000 1.901) 2.116 8.290 ( -1.032 0.000 -0.736) 1.267 8.291 ( 5.619 0.000 -3.867) 6.821 8.752 ( 0.771 0.000 1.314) 1.523 8.786 ( -0.053 0.000 -1.074) 1.076 8.951 ( 10.324 0.000 4.323) 11.192 9.039 ( 9.273 0.000 -4.039) 10.115 9.277 ( 2.819 0.000 1.928) 3.415 9.306 ( 1.553 0.000 -0.157) 1.561 9.356 ( 3.267 0.000 -0.479) 3.301 9.367 ( 1.797 0.000 2.822) 3.346 9.372 ( 4.093 0.000 -0.185) 4.097 9.416 ( 1.999 0.000 -1.642) 2.587 9.581 ( 0.323 0.000 3.792) 3.806 9.635 ( 2.263 0.000 -1.343) 2.631 9.758 ( 0.582 0.000 3.579) 3.626 9.825 ( 0.184 0.000 -1.854) 1.863 9.892 ( 3.300 0.000 2.231) 3.983 9.933 ( 3.306 0.000 -1.713) 3.723 10.431 ( -2.387 0.000 4.362) 4.972 10.465 ( -2.090 0.000 1.193) 2.406 10.984 ( 4.220 0.000 1.197) 4.386 11.016 ( 4.945 0.000 -0.710) 4.995 11.055 ( 7.255 0.000 -0.044) 7.255 11.061 ( 7.558 0.000 -0.601) 7.582 11.080 ( 6.118 0.000 -1.940) 6.418 11.102 ( 6.038 0.000 -2.966) 6.727 12.318 ( -9.704 0.000 3.989) 10.492 12.344 ( -9.482 0.000 1.381) 9.582 12.824 ( -1.704 0.000 5.141) 5.416 12.872 ( -2.264 0.000 1.127) 2.529 13.279 ( -7.129 0.000 4.106) 8.227 13.292 ( -6.847 0.000 2.933) 7.449 13.966 ( 0.812 0.000 1.767) 1.945 13.988 ( 1.297 0.000 1.118) 1.712 14.022 ( 2.095 0.000 -3.330) 3.934 14.037 ( 1.423 0.000 -4.401) 4.626 14.117 ( 0.026 0.000 1.046) 1.046 14.220 ( -0.682 0.000 -6.962) 6.996 14.228 ( -1.449 0.000 -2.231) 2.660 14.283 ( -1.752 0.000 -6.776) 6.999 14.726 ( 0.288 0.000 5.339) 5.347 14.857 ( -1.265 0.000 -6.841) 6.957 14.995 ( 0.691 0.000 5.964) 6.004 15.076 ( -0.742 0.000 -0.604) 0.957 15.105 ( 0.133 0.000 4.704) 4.706 15.163 ( 1.372 0.000 -0.432) 1.438 15.219 ( -0.877 0.000 -5.620) 5.688 15.234 ( 2.225 0.000 -6.858) 7.210 16.038 ( 6.416 0.000 7.840) 10.131 16.159 ( 8.556 0.000 -3.872) 9.391 16.756 ( 2.188 0.000 2.885) 3.621 16.809 ( 2.730 0.000 -1.756) 3.246 17.047 ( 0.016 0.000 4.394) 4.394 17.066 ( 3.610 0.000 10.351) 10.963 17.088 ( 2.026 0.000 0.889) 2.213 17.243 ( 3.052 0.000 -2.995) 4.276 17.326 ( 2.275 0.000 2.864) 3.657 17.360 ( -4.238 0.000 7.284) 8.427 17.445 ( -2.233 0.000 -5.876) 6.286 17.494 ( -1.909 0.000 -5.577) 5.894 17.540 ( 0.430 0.000 -2.561) 2.597 17.577 ( -1.244 0.000 -1.747) 2.145 17.656 ( -0.201 0.000 -0.650) 0.680 17.710 ( 0.578 0.000 -5.419) 5.450 18.066 ( -2.097 0.000 1.603) 2.640 18.110 ( -0.487 0.000 -2.858) 2.899 18.182 ( -5.217 0.000 -0.795) 5.277 18.246 ( -4.769 0.000 -7.060) 8.520 18.823 ( 0.907 0.000 -0.189) 0.926 18.864 ( -0.102 0.000 -3.952) 3.953 18.895 ( 3.424 0.000 4.725) 5.835 18.985 ( 1.488 0.000 -3.406) 3.717 19.686 ( -5.021 0.000 6.546) 8.250 19.752 ( -4.256 0.000 -0.176) 4.260 19.771 ( 4.315 0.000 0.019) 4.315 19.789 ( 4.057 0.000 -1.584) 4.355 19.897 ( -4.287 0.000 1.582) 4.570 19.925 ( -4.193 0.000 -1.061) 4.325 20.471 ( -5.647 0.000 4.511) 7.228 20.489 ( -3.472 0.000 2.833) 4.482 20.519 ( -2.275 0.000 2.202) 3.166 20.533 ( -6.319 0.000 -1.645) 6.530 20.589 ( -3.718 0.000 -5.687) 6.795 20.625 ( -3.289 0.000 -6.179) 7.000 ======================= Grid point 86 (35/40) ======================= q-point: ( 0.33 0.00 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 56 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.351 ( -4.083 0.000 7.978) 8.962 1.529 ( -7.560 0.000 6.759) 10.141 1.536 ( -10.632 0.000 -10.125) 14.681 1.600 ( -6.486 0.000 3.366) 7.308 1.848 ( -6.067 0.000 2.287) 6.484 1.897 ( -8.142 0.000 -0.750) 8.177 1.937 ( -4.370 0.000 12.602) 13.338 2.033 ( -7.841 0.000 6.347) 10.088 2.093 ( -2.168 0.000 1.779) 2.804 2.226 ( -2.335 0.000 -7.218) 7.586 2.271 ( -1.484 0.000 -1.461) 2.082 2.272 ( 0.328 0.000 -0.698) 0.772 2.304 ( -2.532 0.000 2.237) 3.378 2.420 ( -5.929 0.000 -6.345) 8.684 2.562 ( -3.786 0.000 4.201) 5.655 2.607 ( -1.711 0.000 2.322) 2.884 2.632 ( -1.753 0.000 2.982) 3.459 2.654 ( -2.932 0.000 -0.924) 3.074 2.669 ( -3.297 0.000 -5.451) 6.370 2.720 ( 2.180 0.000 5.382) 5.807 2.761 ( -0.247 0.000 -5.712) 5.718 2.802 ( 0.611 0.000 4.482) 4.524 2.825 ( -4.670 0.000 -2.686) 5.387 2.853 ( -1.207 0.000 -1.060) 1.606 3.182 ( 2.380 0.000 3.857) 4.532 3.222 ( -0.900 0.000 3.639) 3.749 3.264 ( 1.326 0.000 0.732) 1.514 3.276 ( 7.578 0.000 5.619) 9.434 3.314 ( -1.286 0.000 -2.332) 2.663 3.355 ( 4.387 0.000 -0.614) 4.430 3.572 ( 1.162 0.000 -0.434) 1.241 3.599 ( 1.035 0.000 -1.857) 2.126 3.622 ( 8.703 0.000 2.938) 9.185 3.719 ( 5.555 0.000 -4.267) 7.004 3.986 ( 1.229 0.000 3.800) 3.994 4.017 ( -0.154 0.000 2.015) 2.021 4.029 ( 3.434 0.000 5.726) 6.677 4.095 ( 2.477 0.000 2.202) 3.314 4.155 ( 1.978 0.000 5.066) 5.438 4.213 ( 2.027 0.000 -2.772) 3.434 4.230 ( -5.378 0.000 6.059) 8.102 4.260 ( 1.849 0.000 -4.989) 5.321 4.291 ( 0.701 0.000 -4.767) 4.819 4.310 ( -5.917 0.000 2.286) 6.343 4.454 ( 1.462 0.000 -1.594) 2.163 4.480 ( 0.645 0.000 -0.589) 0.874 4.590 ( 7.126 0.000 2.585) 7.580 4.619 ( -2.613 0.000 2.560) 3.658 4.689 ( -5.114 0.000 -3.266) 6.068 4.695 ( 4.756 0.000 -7.063) 8.515 4.949 ( -8.051 0.000 2.285) 8.369 5.025 ( -8.969 0.000 -4.814) 10.179 5.239 ( 8.391 0.000 2.860) 8.865 5.322 ( 6.915 0.000 -4.816) 8.427 5.569 ( -2.907 0.000 0.998) 3.074 5.624 ( -1.412 0.000 -5.344) 5.527 5.679 ( 1.454 0.000 4.115) 4.365 5.723 ( 0.064 0.000 0.058) 0.086 5.853 ( 4.240 0.000 2.435) 4.889 5.870 ( 3.492 0.000 7.608) 8.371 5.919 ( 3.041 0.000 -2.213) 3.761 5.978 ( 0.820 0.000 -3.378) 3.476 5.998 ( 2.086 0.000 1.936) 2.845 6.079 ( -1.249 0.000 -5.364) 5.508 6.158 ( -1.914 0.000 2.724) 3.329 6.193 ( -2.267 0.000 -0.061) 2.268 6.359 ( 0.312 0.000 4.903) 4.913 6.478 ( 2.258 0.000 -1.206) 2.560 6.490 ( 0.083 0.000 -6.993) 6.994 6.521 ( 0.801 0.000 -4.291) 4.365 6.595 ( -5.826 0.000 2.346) 6.281 6.654 ( -4.380 0.000 -3.005) 5.312 6.778 ( 5.227 0.000 1.660) 5.485 6.812 ( 4.100 0.000 -1.807) 4.480 7.055 ( -4.704 0.000 0.458) 4.726 7.084 ( -5.585 0.000 -2.240) 6.018 7.386 ( -0.227 0.000 2.504) 2.514 7.414 ( -1.152 0.000 -0.056) 1.153 7.724 ( -1.675 0.000 0.323) 1.706 7.740 ( -2.174 0.000 -1.267) 2.516 7.872 ( -2.852 0.000 -0.052) 2.852 7.886 ( -3.136 0.000 -1.024) 3.299 8.253 ( -0.076 0.000 1.201) 1.203 8.272 ( -0.745 0.000 -0.682) 1.010 8.317 ( 4.756 0.000 3.200) 5.732 8.385 ( 2.880 0.000 -3.120) 4.246 8.755 ( -0.447 0.000 -0.135) 0.467 8.773 ( -1.082 0.000 -1.064) 1.517 9.184 ( 10.578 0.000 2.882) 10.964 9.240 ( 8.620 0.000 -2.544) 8.987 9.345 ( 3.016 0.000 0.255) 3.027 9.352 ( 2.342 0.000 -0.035) 2.342 9.404 ( 1.183 0.000 1.784) 2.140 9.432 ( 3.530 0.000 0.664) 3.592 9.443 ( -0.317 0.000 -1.986) 2.011 9.454 ( 3.052 0.000 -0.773) 3.149 9.609 ( 2.661 0.000 4.891) 5.568 9.685 ( 2.025 0.000 -2.577) 3.277 9.765 ( 0.185 0.000 3.803) 3.807 9.822 ( -0.712 0.000 -1.491) 1.652 9.995 ( 6.642 0.000 2.878) 7.239 10.038 ( 6.765 0.000 -1.204) 6.871 10.334 ( -6.884 0.000 4.494) 8.220 10.373 ( -6.685 0.000 0.816) 6.734 11.100 ( 6.214 0.000 1.160) 6.322 11.136 ( 5.752 0.000 -1.924) 6.065 11.217 ( 5.697 0.000 -0.065) 5.697 11.238 ( 5.687 0.000 -2.085) 6.057 11.293 ( 15.337 0.000 0.963) 15.367 11.310 ( 15.943 0.000 -0.666) 15.957 12.038 ( -16.591 0.000 3.269) 16.910 12.067 ( -16.557 0.000 0.414) 16.562 12.806 ( 0.898 0.000 4.281) 4.374 12.837 ( -0.067 0.000 1.578) 1.579 13.090 ( -10.293 0.000 3.697) 10.937 13.101 ( -10.573 0.000 2.462) 10.855 13.990 ( 1.401 0.000 0.947) 1.691 14.014 ( 0.842 0.000 -0.965) 1.280 14.073 ( 2.484 0.000 -3.412) 4.220 14.083 ( 2.946 0.000 -4.128) 5.072 14.126 ( 0.915 0.000 2.099) 2.289 14.190 ( -2.048 0.000 -2.188) 2.997 14.196 ( -1.638 0.000 -4.098) 4.413 14.233 ( -2.882 0.000 -5.919) 6.583 14.738 ( 1.058 0.000 4.738) 4.854 14.819 ( -2.271 0.000 -1.694) 2.833 15.004 ( 0.325 0.000 2.547) 2.567 15.046 ( -1.721 0.000 -1.298) 2.156 15.117 ( 1.140 0.000 0.446) 1.224 15.191 ( -1.753 0.000 -5.296) 5.579 15.214 ( 2.848 0.000 1.439) 3.191 15.267 ( 0.657 0.000 -3.567) 3.627 16.263 ( 14.431 0.000 8.005) 16.502 16.390 ( 12.571 0.000 -4.272) 13.278 16.816 ( 3.365 0.000 3.688) 4.992 16.869 ( 2.309 0.000 -0.360) 2.337 16.997 ( -5.792 0.000 4.753) 7.492 17.063 ( -6.377 0.000 -1.412) 6.531 17.143 ( 3.168 0.000 4.615) 5.598 17.292 ( -1.812 0.000 -8.101) 8.301 17.328 ( 2.921 0.000 7.326) 7.887 17.366 ( 3.299 0.000 4.096) 5.260 17.427 ( 2.116 0.000 1.854) 2.813 17.462 ( -0.361 0.000 -5.430) 5.442 17.564 ( 0.960 0.000 -1.803) 2.043 17.567 ( 0.976 0.000 -5.132) 5.224 17.628 ( -2.463 0.000 0.423) 2.499 17.685 ( -3.103 0.000 -4.934) 5.829 18.046 ( 0.367 0.000 2.139) 2.170 18.058 ( -5.631 0.000 -0.838) 5.693 18.096 ( -0.982 0.000 -2.803) 2.970 18.118 ( -6.870 0.000 -6.616) 9.538 18.835 ( 0.193 0.000 -0.897) 0.917 18.854 ( -0.802 0.000 -2.758) 2.872 18.974 ( 3.652 0.000 2.667) 4.522 19.022 ( 1.545 0.000 -1.663) 2.270 19.590 ( -2.696 0.000 6.950) 7.455 19.664 ( -2.917 0.000 -0.345) 2.938 19.768 ( -7.605 0.000 4.501) 8.837 19.805 ( -6.822 0.000 0.858) 6.875 19.907 ( 8.428 0.000 0.306) 8.434 19.914 ( 7.921 0.000 -0.371) 7.930 20.312 ( -9.193 0.000 3.246) 9.749 20.355 ( -10.289 0.000 -1.026) 10.340 20.427 ( -1.749 0.000 -0.090) 1.751 20.473 ( -1.663 0.000 -0.719) 1.812 20.501 ( -3.998 0.000 -4.979) 6.385 20.544 ( -3.990 0.000 -5.219) 6.570 ======================= Grid point 87 (36/40) ======================= q-point: (-0.50 0.00 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 36 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.350 ( -4.934 0.000 -1.341) 5.113 1.350 ( 4.934 0.000 -1.341) 5.113 1.480 ( -2.929 0.000 1.382) 3.239 1.480 ( 2.929 0.000 1.382) 3.239 1.796 ( -1.376 0.000 1.150) 1.793 1.796 ( 1.376 0.000 1.150) 1.793 1.899 ( -2.439 0.000 6.476) 6.920 1.899 ( 2.440 0.000 6.476) 6.920 2.158 ( -4.764 0.000 3.680) 6.020 2.158 ( 4.764 0.000 3.680) 6.020 2.266 ( -0.673 0.000 2.278) 2.375 2.266 ( 0.673 0.000 2.278) 2.375 2.317 ( -3.628 0.000 -5.363) 6.475 2.317 ( 3.628 0.000 -5.363) 6.475 2.538 ( -2.157 0.000 1.080) 2.413 2.538 ( 2.157 0.000 1.080) 2.413 2.606 ( -1.308 0.000 0.701) 1.484 2.606 ( 1.308 0.000 0.701) 1.484 2.715 ( -3.444 0.000 -4.072) 5.333 2.715 ( 3.444 0.000 -4.072) 5.333 2.765 ( -1.720 0.000 0.717) 1.864 2.765 ( 1.720 0.000 0.717) 1.864 2.827 ( -1.419 0.000 0.948) 1.706 2.827 ( 1.419 0.000 0.948) 1.706 3.209 ( -0.532 0.000 4.507) 4.538 3.209 ( 0.532 0.000 4.507) 4.538 3.287 ( -1.235 0.000 -1.790) 2.175 3.287 ( 1.235 0.000 -1.790) 2.175 3.396 ( -2.048 0.000 3.734) 4.259 3.396 ( 2.048 0.000 3.734) 4.259 3.582 ( -1.003 0.000 -1.078) 1.473 3.582 ( 1.003 0.000 -1.078) 1.473 3.751 ( -2.884 0.000 2.188) 3.620 3.751 ( 2.884 0.000 2.188) 3.620 4.008 ( -0.855 0.000 3.169) 3.282 4.008 ( 0.855 0.000 3.169) 3.282 4.110 ( -4.213 0.000 5.576) 6.989 4.110 ( 4.213 0.000 5.576) 6.989 4.194 ( -5.108 0.000 1.388) 5.294 4.194 ( 5.108 0.000 1.388) 5.294 4.207 ( -2.325 0.000 -0.172) 2.331 4.207 ( 2.325 0.000 -0.172) 2.331 4.285 ( -0.958 0.000 -4.282) 4.388 4.285 ( 0.958 0.000 -4.282) 4.388 4.482 ( -0.676 0.000 0.143) 0.691 4.482 ( 0.676 0.000 0.143) 0.691 4.608 ( -2.057 0.000 -0.650) 2.157 4.608 ( 2.057 0.000 -0.650) 2.157 4.733 ( -5.206 0.000 -0.297) 5.215 4.733 ( 5.206 0.000 -0.297) 5.215 4.865 ( -4.455 0.000 -3.629) 5.746 4.865 ( 4.455 0.000 -3.629) 5.746 5.380 ( -3.732 0.000 -2.059) 4.262 5.380 ( 3.732 0.000 -2.059) 4.262 5.550 ( -3.597 0.000 -2.640) 4.462 5.550 ( 3.597 0.000 -2.640) 4.462 5.712 ( -1.309 0.000 3.129) 3.392 5.712 ( 1.309 0.000 3.129) 3.392 5.946 ( -3.367 0.000 1.501) 3.687 5.946 ( 3.367 0.000 1.501) 3.687 5.966 ( -3.107 0.000 1.179) 3.324 5.966 ( 3.107 0.000 1.179) 3.324 6.005 ( -2.282 0.000 -0.437) 2.324 6.005 ( 2.282 0.000 -0.437) 2.324 6.156 ( -1.365 0.000 0.242) 1.386 6.156 ( 1.365 0.000 0.242) 1.386 6.435 ( -5.551 0.000 2.494) 6.086 6.435 ( 5.551 0.000 2.494) 6.086 6.508 ( -1.137 0.000 -3.380) 3.566 6.508 ( 1.137 0.000 -3.380) 3.566 6.565 ( -3.453 0.000 -5.094) 6.154 6.565 ( 3.453 0.000 -5.094) 6.154 6.921 ( -5.526 0.000 1.550) 5.739 6.921 ( 5.526 0.000 1.550) 5.739 6.947 ( -5.445 0.000 -1.682) 5.699 6.947 ( 5.445 0.000 -1.682) 5.699 7.392 ( -0.770 0.000 1.706) 1.872 7.392 ( 0.770 0.000 1.706) 1.872 7.708 ( -0.481 0.000 -0.569) 0.745 7.708 ( 0.481 0.000 -0.569) 0.745 7.848 ( -0.448 0.000 -0.810) 0.926 7.848 ( 0.448 0.000 -0.810) 0.926 8.258 ( -0.535 0.000 0.053) 0.538 8.258 ( 0.535 0.000 0.053) 0.538 8.394 ( -2.056 0.000 0.701) 2.172 8.394 ( 2.056 0.000 0.701) 2.172 8.753 ( -0.544 0.000 -1.427) 1.527 8.753 ( 0.544 0.000 -1.427) 1.527 9.337 ( -1.938 0.000 0.292) 1.960 9.337 ( 1.938 0.000 0.292) 1.960 9.380 ( -0.094 0.000 0.156) 0.182 9.380 ( 0.094 0.000 0.156) 0.182 9.408 ( -0.776 0.000 0.011) 0.776 9.408 ( 0.776 0.000 0.011) 0.776 9.480 ( -0.671 0.000 -0.411) 0.787 9.480 ( 0.671 0.000 -0.411) 0.787 9.676 ( -2.852 0.000 2.411) 3.734 9.676 ( 2.852 0.000 2.411) 3.734 9.791 ( -2.079 0.000 -0.450) 2.127 9.791 ( 2.079 0.000 -0.450) 2.127 10.153 ( -6.185 0.000 3.022) 6.884 10.153 ( 6.185 0.000 3.022) 6.884 10.215 ( -6.052 0.000 0.791) 6.103 10.215 ( 6.052 0.000 0.791) 6.103 11.193 ( -1.385 0.000 -0.377) 1.436 11.193 ( 1.385 0.000 -0.377) 1.436 11.289 ( -0.998 0.000 -0.657) 1.195 11.289 ( 0.998 0.000 -0.657) 1.195 11.644 ( -8.477 0.000 1.489) 8.607 11.644 ( 8.477 0.000 1.489) 8.607 11.702 ( -8.767 0.000 0.364) 8.775 11.702 ( 8.767 0.000 0.364) 8.775 12.893 ( -7.200 0.000 3.546) 8.026 12.893 ( 7.200 0.000 3.546) 8.026 12.907 ( -6.523 0.000 2.095) 6.851 12.907 ( 6.523 0.000 2.095) 6.851 14.015 ( -0.736 0.000 -0.420) 0.848 14.015 ( 0.736 0.000 -0.420) 0.848 14.119 ( -1.199 0.000 -3.569) 3.766 14.119 ( 1.199 0.000 -3.569) 3.766 14.157 ( -1.932 0.000 -0.391) 1.972 14.157 ( 1.932 0.000 -0.391) 1.972 14.174 ( -2.074 0.000 -3.986) 4.494 14.174 ( 2.074 0.000 -3.986) 4.494 14.772 ( -2.107 0.000 2.793) 3.499 14.772 ( 2.107 0.000 2.793) 3.499 15.016 ( -0.988 0.000 0.248) 1.018 15.016 ( 0.988 0.000 0.248) 1.018 15.151 ( -1.970 0.000 -3.516) 4.030 15.151 ( 1.971 0.000 -3.516) 4.030 15.260 ( -1.331 0.000 -0.394) 1.388 15.260 ( 1.331 0.000 -0.394) 1.388 16.529 ( -5.563 0.000 3.032) 6.335 16.529 ( 5.563 0.000 3.032) 6.335 16.877 ( -1.778 0.000 2.957) 3.450 16.877 ( 1.778 0.000 2.957) 3.450 16.907 ( -3.468 0.000 0.741) 3.546 16.907 ( 3.468 0.000 0.741) 3.546 17.210 ( -3.966 0.000 -3.554) 5.325 17.210 ( 3.966 0.000 -3.554) 5.325 17.429 ( -4.548 0.000 1.968) 4.956 17.429 ( 4.548 0.000 1.968) 4.956 17.446 ( -2.106 0.000 4.133) 4.638 17.446 ( 2.106 0.000 4.133) 4.638 17.581 ( -0.733 0.000 -4.591) 4.649 17.581 ( 0.733 0.000 -4.591) 4.649 17.612 ( -2.478 0.000 -3.384) 4.194 17.612 ( 2.478 0.000 -3.384) 4.194 18.009 ( -2.053 0.000 -3.743) 4.269 18.009 ( 2.053 0.000 -3.743) 4.269 18.069 ( -1.473 0.000 -0.518) 1.561 18.069 ( 1.473 0.000 -0.518) 1.561 18.839 ( -0.468 0.000 -1.612) 1.679 18.839 ( 0.468 0.000 -1.612) 1.679 19.028 ( -1.223 0.000 0.315) 1.263 19.028 ( 1.223 0.000 0.315) 1.263 19.616 ( -4.845 0.000 6.501) 8.108 19.616 ( 4.845 0.000 6.501) 8.108 19.681 ( -3.770 0.000 0.955) 3.889 19.681 ( 3.771 0.000 0.955) 3.889 20.077 ( -2.347 0.000 1.070) 2.579 20.077 ( 2.347 0.000 1.070) 2.579 20.150 ( -3.473 0.000 0.160) 3.476 20.150 ( 3.473 0.000 0.160) 3.476 20.428 ( -1.784 0.000 -3.880) 4.271 20.428 ( 1.784 0.000 -3.880) 4.271 20.481 ( -1.688 0.000 -2.758) 3.234 20.481 ( 1.688 0.000 -2.758) 3.234 ======================= Grid point 91 (37/40) ======================= q-point: ( 0.00 0.33 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 56 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.580 ( 0.000 -0.280 6.981) 6.986 1.585 ( 0.000 -0.971 5.818) 5.899 1.769 ( 0.000 5.902 8.347) 10.223 1.876 ( 0.000 -5.138 -0.925) 5.220 2.058 ( 0.000 0.532 8.938) 8.954 2.063 ( 0.000 -0.139 13.632) 13.633 2.170 ( 0.000 6.084 5.057) 7.912 2.286 ( 0.000 -5.285 -3.985) 6.619 2.298 ( 0.000 4.818 -2.368) 5.369 2.344 ( 0.000 -0.464 -1.148) 1.239 2.365 ( 0.000 -0.261 -1.783) 1.802 2.375 ( 0.000 -0.494 -7.450) 7.466 2.551 ( 0.000 -0.198 2.573) 2.580 2.553 ( 0.000 1.646 1.565) 2.271 2.578 ( 0.000 -2.293 4.559) 5.103 2.579 ( 0.000 -1.172 0.545) 1.293 2.654 ( 0.000 0.378 0.238) 0.446 2.691 ( 0.000 -1.858 2.615) 3.207 2.750 ( 0.000 1.297 -2.751) 3.041 2.756 ( 0.000 1.433 -1.237) 1.893 2.917 ( 0.000 3.237 4.172) 5.280 2.934 ( 0.000 0.086 -1.723) 1.725 2.987 ( 0.000 3.100 -0.902) 3.228 3.065 ( 0.000 -2.903 -3.334) 4.420 3.100 ( 0.000 2.869 1.217) 3.116 3.108 ( 0.000 -1.222 -1.904) 2.262 3.125 ( 0.000 -1.458 0.975) 1.754 3.214 ( 0.000 -7.468 -1.345) 7.588 3.224 ( 0.000 1.563 -1.054) 1.885 3.257 ( 0.000 -1.670 -8.122) 8.292 3.354 ( 0.000 -0.538 1.896) 1.971 3.374 ( 0.000 -1.728 0.839) 1.921 3.459 ( 0.000 1.108 -4.012) 4.162 3.476 ( 0.000 0.141 -4.047) 4.050 3.958 ( 0.000 0.520 2.869) 2.916 3.978 ( 0.000 -1.219 0.737) 1.425 4.026 ( 0.000 4.679 5.924) 7.549 4.104 ( 0.000 -1.758 1.347) 2.214 4.139 ( 0.000 5.614 -2.317) 6.074 4.150 ( 0.000 6.270 -3.168) 7.025 4.190 ( 0.000 5.397 -0.141) 5.399 4.224 ( 0.000 -0.460 -1.456) 1.527 4.288 ( 0.000 -5.145 -0.515) 5.171 4.342 ( 0.000 -9.448 -5.267) 10.817 4.402 ( 0.000 2.026 8.503) 8.741 4.453 ( 0.000 -3.139 12.860) 13.238 4.606 ( 0.000 4.321 2.413) 4.949 4.695 ( 0.000 3.710 -0.837) 3.803 4.734 ( 0.000 8.629 -6.989) 11.105 4.789 ( 0.000 -7.245 -3.706) 8.138 4.877 ( 0.000 -6.937 -2.553) 7.392 4.905 ( 0.000 -10.856 -1.183) 10.921 5.254 ( 0.000 4.153 5.067) 6.551 5.281 ( 0.000 0.996 2.416) 2.613 5.532 ( 0.000 1.538 0.671) 1.678 5.585 ( 0.000 -3.653 -2.405) 4.373 5.706 ( 0.000 0.849 -0.877) 1.221 5.715 ( 0.000 0.395 -0.785) 0.879 5.797 ( 0.000 1.854 2.532) 3.138 5.823 ( 0.000 1.229 2.021) 2.365 5.829 ( 0.000 -0.860 1.110) 1.404 5.862 ( 0.000 -3.007 -2.663) 4.016 5.951 ( 0.000 0.595 -4.074) 4.118 5.988 ( 0.000 -3.754 -6.395) 7.415 6.292 ( 0.000 0.469 2.410) 2.455 6.302 ( 0.000 -0.330 1.584) 1.618 6.386 ( 0.000 5.811 0.888) 5.879 6.438 ( 0.000 -0.247 -3.686) 3.694 6.477 ( 0.000 2.469 2.261) 3.348 6.508 ( 0.000 -0.133 -0.107) 0.171 6.734 ( 0.000 1.297 1.330) 1.858 6.753 ( 0.000 -0.986 -0.241) 1.015 6.766 ( 0.000 1.716 -0.895) 1.935 6.802 ( 0.000 -1.617 -4.318) 4.611 7.150 ( 0.000 1.104 -0.164) 1.116 7.179 ( 0.000 -1.851 -2.714) 3.285 7.484 ( 0.000 8.409 1.895) 8.620 7.521 ( 0.000 7.470 -1.594) 7.638 7.699 ( 0.000 -6.847 0.370) 6.857 7.724 ( 0.000 -7.130 -1.815) 7.358 7.983 ( 0.000 -2.396 0.812) 2.530 7.994 ( 0.000 -3.443 0.113) 3.445 8.165 ( 0.000 1.532 1.335) 2.032 8.192 ( 0.000 -0.631 -0.990) 1.174 8.388 ( 0.000 9.590 0.509) 9.604 8.401 ( 0.000 7.829 -0.768) 7.867 8.572 ( 0.000 -10.660 0.887) 10.697 8.599 ( 0.000 -12.797 -1.319) 12.864 8.959 ( 0.000 6.703 4.578) 8.117 9.013 ( 0.000 1.854 0.333) 1.883 9.253 ( 0.000 1.073 1.840) 2.130 9.283 ( 0.000 -1.804 -0.045) 1.804 9.301 ( 0.000 0.256 -0.224) 0.340 9.313 ( 0.000 -0.869 -1.363) 1.616 9.380 ( 0.000 2.078 0.572) 2.155 9.398 ( 0.000 0.126 -1.101) 1.108 9.614 ( 0.000 2.306 3.059) 3.831 9.617 ( 0.000 1.022 1.516) 1.828 9.726 ( 0.000 -0.712 1.430) 1.598 9.773 ( 0.000 -4.314 -1.764) 4.661 9.882 ( 0.000 1.760 1.037) 2.042 9.902 ( 0.000 -0.263 -0.818) 0.860 10.455 ( 0.000 0.590 3.300) 3.352 10.470 ( 0.000 -0.876 1.924) 2.114 10.946 ( 0.000 0.353 0.742) 0.822 10.953 ( 0.000 -0.308 0.802) 0.859 10.982 ( 0.000 -0.137 -0.204) 0.246 10.983 ( 0.000 -0.286 -0.427) 0.513 11.021 ( 0.000 0.638 -3.236) 3.298 11.030 ( 0.000 -0.291 -3.470) 3.482 12.427 ( 0.000 0.574 3.576) 3.622 12.438 ( 0.000 -0.558 2.399) 2.463 12.859 ( 0.000 1.331 4.472) 4.666 12.886 ( 0.000 -1.354 2.249) 2.625 13.360 ( 0.000 -0.091 3.770) 3.771 13.360 ( 0.000 -0.079 3.941) 3.942 13.935 ( 0.000 -1.318 0.787) 1.535 13.946 ( 0.000 -2.683 0.213) 2.691 13.980 ( 0.000 0.711 -0.675) 0.981 14.003 ( 0.000 -1.662 -3.131) 3.545 14.177 ( 0.000 3.647 -2.027) 4.173 14.218 ( 0.000 -1.000 -4.274) 4.389 14.272 ( 0.000 1.971 -5.708) 6.039 14.296 ( 0.000 -0.680 -6.693) 6.728 14.770 ( 0.000 5.091 3.612) 6.242 14.864 ( 0.000 -1.168 -5.499) 5.622 14.915 ( 0.000 -3.927 0.578) 3.969 14.926 ( 0.000 -8.456 -0.462) 8.468 15.124 ( 0.000 4.609 4.018) 6.115 15.196 ( 0.000 -1.689 -2.322) 2.871 15.309 ( 0.000 7.561 0.607) 7.585 15.339 ( 0.000 4.124 -2.474) 4.809 15.993 ( 0.000 1.374 2.441) 2.801 16.029 ( 0.000 -2.583 -0.739) 2.686 16.721 ( 0.000 -0.409 1.705) 1.753 16.748 ( 0.000 -2.709 -0.670) 2.790 17.012 ( 0.000 -0.263 6.666) 6.671 17.024 ( 0.000 -1.297 3.438) 3.674 17.100 ( 0.000 4.165 6.446) 7.675 17.207 ( 0.000 -4.209 6.478) 7.725 17.289 ( 0.000 -0.674 -1.275) 1.442 17.292 ( 0.000 -4.138 -9.142) 10.034 17.478 ( 0.000 -0.090 -2.101) 2.103 17.494 ( 0.000 -1.867 -3.911) 4.334 17.575 ( 0.000 2.056 2.868) 3.529 17.588 ( 0.000 2.693 2.201) 3.478 17.694 ( 0.000 -0.361 -3.761) 3.778 17.705 ( 0.000 0.160 -3.386) 3.390 18.149 ( 0.000 4.004 -2.295) 4.615 18.157 ( 0.000 3.830 -3.159) 4.965 18.231 ( 0.000 -0.924 -1.578) 1.828 18.265 ( 0.000 -3.396 -5.096) 6.124 18.799 ( 0.000 -0.706 0.412) 0.817 18.805 ( 0.000 -1.713 1.201) 2.092 18.926 ( 0.000 3.007 -1.356) 3.299 18.962 ( 0.000 -1.011 -3.342) 3.491 19.729 ( 0.000 0.187 -0.357) 0.403 19.735 ( 0.000 -0.486 0.078) 0.492 19.771 ( 0.000 1.716 3.089) 3.534 19.796 ( 0.000 -0.733 1.297) 1.490 19.940 ( 0.000 0.168 -0.170) 0.239 19.954 ( 0.000 -1.239 -1.321) 1.811 20.524 ( 0.000 -0.008 4.490) 4.490 20.530 ( 0.000 -0.507 4.350) 4.379 20.566 ( 0.000 1.637 1.361) 2.129 20.591 ( 0.000 -0.989 -0.774) 1.256 20.642 ( 0.000 0.869 -5.616) 5.683 20.656 ( 0.000 -0.607 -6.162) 6.191 ======================= Grid point 92 (38/40) ======================= q-point: ( 0.17 0.33 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 81 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.492 ( -5.701 2.601 9.636) 11.494 1.565 ( -4.002 -5.345 5.330) 8.544 1.750 ( -2.899 4.527 5.022) 7.357 1.801 ( -5.963 0.754 -1.606) 6.221 1.984 ( -6.115 2.023 10.778) 12.556 2.054 ( -4.971 -3.242 6.641) 8.907 2.121 ( -3.273 3.602 4.804) 6.838 2.172 ( -8.194 -2.016 2.854) 8.908 2.206 ( -9.538 3.384 -5.573) 11.553 2.274 ( -3.844 2.948 -4.271) 6.458 2.317 ( -4.236 -1.839 -5.788) 7.404 2.322 ( -3.806 -2.550 -3.011) 5.482 2.480 ( -5.178 5.070 2.729) 7.744 2.521 ( -3.345 -0.440 -0.718) 3.449 2.557 ( -1.502 -3.510 2.788) 4.727 2.570 ( -1.100 -4.832 3.576) 6.111 2.638 ( -1.205 -0.815 2.759) 3.119 2.651 ( -2.266 -1.905 3.374) 4.489 2.716 ( -3.942 0.774 -4.775) 6.240 2.730 ( -2.466 -1.170 -2.653) 3.807 2.870 ( -2.503 2.812 2.310) 4.417 2.874 ( -3.471 1.721 -0.095) 3.876 2.927 ( -3.664 2.434 -0.988) 4.508 2.969 ( -5.170 0.697 -2.931) 5.984 3.133 ( 0.822 2.186 4.597) 5.156 3.181 ( 5.481 1.149 2.814) 6.267 3.186 ( 3.776 -0.497 0.958) 3.927 3.235 ( 2.220 -1.677 -0.371) 2.807 3.240 ( 2.472 -1.775 -2.651) 4.036 3.287 ( 2.369 -4.868 -2.892) 6.137 3.398 ( 3.867 0.140 0.192) 3.874 3.425 ( 4.527 -3.330 -2.515) 6.157 3.574 ( 9.296 3.972 -1.034) 10.162 3.623 ( 9.064 -0.160 -3.765) 9.816 3.961 ( -0.315 1.636 1.742) 2.411 3.997 ( 1.114 -0.599 -2.460) 2.767 4.028 ( 1.360 1.215 5.645) 5.932 4.081 ( -1.547 -1.320 5.056) 5.450 4.138 ( 0.515 4.863 -0.554) 4.922 4.191 ( 2.376 4.260 0.532) 4.907 4.211 ( 1.764 2.620 -2.661) 4.130 4.251 ( 1.846 1.334 -4.150) 4.734 4.314 ( 1.472 -9.405 1.081) 9.581 4.350 ( 0.841 -5.907 1.120) 6.071 4.406 ( -0.153 5.712 6.600) 8.730 4.481 ( 2.896 -2.067 6.153) 7.108 4.527 ( -5.602 4.366 -1.292) 7.219 4.628 ( -1.933 -1.997 -3.672) 4.605 4.737 ( -2.591 2.646 -2.690) 4.577 4.758 ( -2.621 -0.586 -3.050) 4.064 4.923 ( 4.362 -4.667 1.217) 6.503 4.997 ( 3.882 -9.555 -4.748) 11.355 5.215 ( -2.312 3.936 3.872) 5.985 5.247 ( -1.888 0.455 0.843) 2.118 5.565 ( 2.172 0.817 0.556) 2.387 5.599 ( 0.753 -2.290 -2.375) 3.385 5.693 ( 0.191 1.619 2.325) 2.840 5.717 ( 0.860 -0.592 0.915) 1.388 5.823 ( 1.262 2.417 1.051) 2.922 5.852 ( 2.235 2.121 3.241) 4.472 5.862 ( 1.932 -0.745 -1.047) 2.321 5.904 ( 3.879 -3.147 0.065) 4.996 5.938 ( -0.122 0.861 -4.750) 4.829 5.991 ( 0.437 -4.611 -6.181) 7.724 6.271 ( -1.229 2.986 1.757) 3.676 6.285 ( -1.417 1.607 1.319) 2.516 6.401 ( -1.636 0.351 -1.368) 2.161 6.413 ( -0.124 -0.760 -1.217) 1.440 6.487 ( 1.077 3.490 1.691) 4.024 6.527 ( 1.374 0.303 -0.675) 1.560 6.711 ( -3.124 0.632 -0.566) 3.237 6.724 ( -1.923 -0.539 -0.752) 2.134 6.740 ( -1.242 1.777 0.434) 2.211 6.779 ( -1.450 -1.811 -3.067) 3.846 7.137 ( -1.579 1.386 -0.099) 2.104 7.161 ( -1.959 -1.087 -2.279) 3.195 7.468 ( -1.283 7.520 1.874) 7.855 7.501 ( -1.676 6.854 -1.302) 7.175 7.660 ( -3.201 -8.559 0.616) 9.159 7.685 ( -3.324 -8.477 -1.577) 9.241 7.977 ( -0.133 1.653 0.918) 1.895 7.994 ( 0.106 0.497 -0.450) 0.679 8.172 ( 0.070 -0.500 1.892) 1.958 8.204 ( -0.048 -3.196 -0.895) 3.320 8.402 ( 1.507 9.786 0.339) 9.907 8.422 ( 2.178 8.787 -1.696) 9.211 8.608 ( 2.665 -10.893 0.683) 11.235 8.627 ( 2.063 -12.187 -0.819) 12.388 9.046 ( 7.768 5.771 3.859) 10.418 9.095 ( 7.158 1.277 -0.064) 7.272 9.286 ( 2.907 1.063 1.001) 3.253 9.301 ( 1.993 -0.403 -0.082) 2.035 9.339 ( 2.834 -0.631 -0.621) 2.969 9.348 ( 3.267 -1.431 -0.472) 3.598 9.407 ( 2.409 2.458 0.781) 3.530 9.429 ( 2.749 0.282 -1.321) 3.063 9.617 ( 0.629 2.951 2.990) 4.248 9.642 ( 1.870 0.412 0.695) 2.037 9.734 ( 0.545 -0.880 1.722) 2.009 9.777 ( 0.302 -4.234 -1.467) 4.491 9.915 ( 3.205 1.730 1.235) 3.846 9.935 ( 3.217 -0.267 -0.638) 3.291 10.438 ( -2.247 0.752 3.593) 4.304 10.455 ( -2.094 -0.947 1.995) 3.043 10.987 ( 4.334 0.462 0.746) 4.422 11.002 ( 4.676 -1.043 -0.152) 4.793 11.061 ( 7.669 0.264 -0.027) 7.674 11.062 ( 7.710 0.089 -0.135) 7.712 11.086 ( 5.688 0.578 -2.590) 6.277 11.097 ( 5.881 -0.521 -2.904) 6.580 12.325 ( -9.618 0.676 3.299) 10.191 12.338 ( -9.507 -0.612 1.993) 9.733 12.836 ( -1.846 1.180 4.250) 4.781 12.860 ( -2.128 -1.213 2.252) 3.327 13.282 ( -7.030 0.241 3.917) 8.051 13.288 ( -6.886 -0.365 3.326) 7.656 13.949 ( 1.350 -0.916 0.562) 1.725 13.968 ( 1.907 -3.078 -0.622) 3.674 13.988 ( 0.784 0.606 -0.347) 1.050 14.013 ( 0.926 -1.885 -2.853) 3.542 14.173 ( -0.260 3.339 -1.685) 3.749 14.211 ( -0.637 -0.918 -3.717) 3.881 14.256 ( -1.450 1.829 -5.395) 5.878 14.278 ( -1.656 -0.608 -6.352) 6.592 14.770 ( 0.025 4.798 3.312) 5.830 14.853 ( -0.971 -0.493 -4.457) 4.588 14.916 ( -0.474 -6.072 -0.716) 6.132 14.916 ( -0.620 -6.935 -0.347) 6.971 15.162 ( 3.324 5.443 4.492) 7.801 15.236 ( 3.299 -0.750 -2.097) 3.980 15.302 ( -0.541 7.792 1.122) 7.892 15.337 ( -0.181 3.956 -2.090) 4.478 16.043 ( 5.695 1.677 3.543) 6.914 16.107 ( 7.218 -4.508 -2.476) 8.864 16.745 ( 1.957 -0.228 2.227) 2.973 16.779 ( 2.441 -2.925 -0.756) 3.884 17.046 ( 3.036 -0.292 5.997) 6.728 17.057 ( 2.488 -1.060 2.901) 3.966 17.103 ( -0.292 3.328 5.190) 6.172 17.218 ( -1.216 -8.646 5.365) 10.248 17.279 ( 1.219 1.758 -6.212) 6.570 17.308 ( 1.924 -1.235 -2.009) 3.043 17.451 ( -1.451 -0.166 -2.417) 2.824 17.468 ( -1.662 -1.908 -3.390) 4.231 17.575 ( -0.526 3.231 1.172) 3.477 17.592 ( 0.188 1.566 0.860) 1.796 17.708 ( 0.447 1.833 -1.784) 2.597 17.722 ( 1.519 -0.197 -2.951) 3.325 18.100 ( -3.750 3.429 -0.072) 5.081 18.140 ( -2.006 2.144 -3.973) 4.940 18.168 ( -5.284 -0.882 -1.357) 5.526 18.216 ( -4.385 -3.097 -5.995) 8.047 18.827 ( 2.266 0.447 0.268) 2.326 18.842 ( 3.063 -1.257 0.075) 3.311 18.931 ( 0.364 2.538 -0.415) 2.598 18.970 ( 0.700 -1.614 -2.772) 3.283 19.705 ( -4.705 1.753 5.007) 7.090 19.736 ( -3.716 -1.430 1.863) 4.396 19.779 ( 3.341 0.463 -0.988) 3.514 19.786 ( 3.783 -0.309 -1.455) 4.064 19.898 ( -4.065 0.275 1.103) 4.221 19.911 ( -4.003 -1.116 -0.134) 4.158 20.480 ( -4.645 0.857 3.900) 6.125 20.493 ( -3.587 -0.084 2.984) 4.667 20.515 ( -3.891 -0.008 1.483) 4.164 20.525 ( -5.655 -0.711 -0.478) 5.720 20.601 ( -3.637 1.024 -5.926) 7.028 20.618 ( -3.406 -0.750 -6.144) 7.065 ======================= Grid point 93 (39/40) ======================= q-point: ( 0.33 0.33 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 82 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.383 ( -3.542 3.303 6.778) 8.330 1.455 ( -4.565 -4.152 2.817) 6.784 1.614 ( -10.940 3.603 -2.727) 11.836 1.633 ( -8.881 1.749 -1.298) 9.144 1.850 ( -5.478 2.443 7.261) 9.418 1.905 ( -7.038 0.757 3.330) 7.823 1.944 ( -8.284 -2.328 1.445) 8.726 1.993 ( -9.156 -5.063 0.393) 10.470 2.123 ( 0.340 6.201 4.629) 7.746 2.203 ( -1.894 -1.438 -3.341) 4.101 2.219 ( -2.561 0.448 3.567) 4.414 2.278 ( -2.915 -2.584 -1.242) 4.089 2.416 ( -0.678 5.717 1.051) 5.852 2.458 ( -2.451 2.110 -1.320) 3.494 2.498 ( -3.341 -3.181 3.018) 5.513 2.523 ( -2.874 -4.846 1.413) 5.808 2.596 ( -1.913 -0.127 0.793) 2.075 2.622 ( -2.108 -1.960 -0.041) 2.878 2.655 ( -1.178 -2.917 -3.201) 4.488 2.669 ( -1.650 -4.789 -3.691) 6.267 2.817 ( -0.434 5.365 3.275) 6.300 2.857 ( 0.024 1.189 2.245) 2.540 2.874 ( -2.317 4.109 -1.309) 4.895 2.902 ( -1.559 2.083 -1.759) 3.141 3.170 ( 2.265 0.550 4.005) 4.634 3.225 ( 0.612 -3.026 1.132) 3.288 3.231 ( -0.367 0.757 1.890) 2.069 3.258 ( -0.317 -2.674 -2.809) 3.892 3.333 ( 6.903 3.488 3.986) 8.701 3.389 ( 5.174 -0.727 0.221) 5.230 3.480 ( 2.825 -2.671 -0.240) 3.896 3.497 ( 1.725 -3.580 -1.948) 4.425 3.752 ( 6.981 5.818 2.947) 9.553 3.800 ( 7.138 2.050 -0.259) 7.431 3.940 ( -1.029 -0.287 3.647) 3.801 3.992 ( -1.849 -3.376 -1.914) 4.299 4.083 ( 3.709 1.420 2.558) 4.724 4.101 ( 4.091 -0.337 5.299) 6.703 4.153 ( 1.110 4.715 -0.628) 4.885 4.226 ( 0.474 4.540 4.997) 6.768 4.239 ( 0.141 -2.021 -4.901) 5.303 4.264 ( -0.023 1.506 -0.802) 1.707 4.332 ( -0.420 -6.643 2.931) 7.273 4.339 ( -1.948 1.235 1.201) 2.600 4.418 ( 0.464 0.563 -0.056) 0.731 4.436 ( -2.004 5.393 -2.855) 6.423 4.524 ( 0.219 -5.652 2.112) 6.038 4.593 ( -3.122 -8.178 -2.469) 9.095 4.705 ( 1.264 4.268 -0.225) 4.457 4.737 ( 1.750 1.463 -2.686) 3.524 4.910 ( -5.312 -1.217 -0.763) 5.503 4.957 ( -6.501 -5.190 -4.723) 9.566 5.263 ( 6.743 1.804 1.173) 7.078 5.300 ( 6.560 -2.074 -2.196) 7.222 5.552 ( -3.622 -0.042 1.117) 3.790 5.588 ( -2.870 -3.188 -2.869) 5.161 5.728 ( 2.522 3.363 2.617) 4.952 5.754 ( 1.791 2.047 1.179) 2.965 5.847 ( 0.610 -0.802 1.180) 1.552 5.863 ( 0.209 -1.716 3.018) 3.478 5.921 ( 3.958 2.300 -0.276) 4.586 5.957 ( 2.673 -0.951 -2.386) 3.706 6.005 ( 3.673 -0.403 -0.718) 3.764 6.024 ( 2.223 -3.186 -2.091) 4.411 6.236 ( -1.986 5.487 1.274) 5.973 6.261 ( -1.385 5.755 0.262) 5.925 6.339 ( -1.986 -2.192 1.942) 3.538 6.406 ( -1.742 -6.387 -3.243) 7.372 6.515 ( 1.348 2.960 -0.304) 3.266 6.544 ( 0.241 0.067 -2.019) 2.035 6.627 ( -4.368 2.379 -1.926) 5.334 6.651 ( -4.226 -0.409 -3.206) 5.320 6.784 ( 5.431 0.758 1.320) 5.640 6.803 ( 4.724 -0.976 -0.643) 4.866 7.071 ( -4.939 1.373 0.177) 5.130 7.087 ( -5.329 -0.108 -1.215) 5.467 7.442 ( -0.944 6.021 1.685) 6.323 7.463 ( -1.778 5.524 -0.270) 5.810 7.595 ( -2.465 -9.273 0.583) 9.613 7.612 ( -3.104 -9.276 -0.979) 9.831 7.980 ( 0.359 7.132 0.635) 7.169 7.997 ( -0.005 6.936 -0.873) 6.991 8.164 ( -0.493 -5.612 1.558) 5.845 8.186 ( -1.294 -5.974 -0.400) 6.126 8.447 ( 2.496 9.349 0.333) 9.682 8.472 ( 2.045 7.613 -2.034) 8.142 8.647 ( 0.797 -9.480 -0.309) 9.518 8.655 ( 0.422 -9.940 -0.711) 9.974 9.232 ( 8.766 3.219 2.168) 9.587 9.260 ( 7.346 0.346 -0.307) 7.361 9.349 ( 2.344 0.351 0.139) 2.375 9.356 ( 2.883 -0.041 -0.541) 2.933 9.405 ( 2.931 0.482 0.345) 2.990 9.418 ( 2.766 -0.943 -0.553) 2.974 9.462 ( 2.354 2.462 1.006) 3.552 9.482 ( 1.446 0.750 -0.598) 1.736 9.643 ( 2.004 3.238 2.729) 4.685 9.687 ( 2.247 -0.357 -1.250) 2.596 9.737 ( -0.365 -1.334 2.475) 2.835 9.777 ( -0.510 -4.017 -1.087) 4.192 10.016 ( 6.514 1.683 1.988) 7.015 10.037 ( 6.600 -0.426 -0.013) 6.614 10.344 ( -6.756 0.991 3.599) 7.719 10.364 ( -6.650 -0.956 1.740) 6.939 11.111 ( 6.713 1.092 0.728) 6.840 11.131 ( 6.781 -0.728 -0.850) 6.873 11.209 ( 4.844 -0.184 -0.870) 4.925 11.222 ( 5.150 -1.312 -1.967) 5.667 11.304 ( 15.384 0.784 0.528) 15.413 11.312 ( 15.667 -0.029 -0.239) 15.669 12.047 ( -16.554 0.797 2.531) 16.765 12.061 ( -16.539 -0.644 1.104) 16.588 12.814 ( 0.667 0.779 3.671) 3.811 12.829 ( 0.185 -0.797 2.326) 2.466 13.092 ( -10.341 0.255 3.467) 10.909 13.098 ( -10.481 -0.299 2.839) 10.862 13.984 ( 1.750 -0.147 -0.050) 1.757 14.005 ( 0.922 -0.116 -2.369) 2.545 14.017 ( 2.239 -3.261 0.405) 3.977 14.038 ( 1.230 -2.768 -2.438) 3.888 14.171 ( 0.234 2.399 -1.579) 2.882 14.195 ( -0.761 -0.198 -2.773) 2.883 14.219 ( -1.909 1.540 -4.315) 4.964 14.234 ( -2.393 -0.194 -5.187) 5.716 14.775 ( 0.534 4.046 2.571) 4.823 14.827 ( -1.510 1.333 -1.964) 2.813 14.896 ( -0.802 -8.070 -0.318) 8.116 14.904 ( -0.812 -6.267 -1.796) 6.570 15.235 ( 3.089 6.469 3.755) 8.092 15.290 ( -0.194 7.948 0.332) 7.958 15.300 ( 1.857 1.725 -0.099) 2.537 15.333 ( -0.210 3.591 -1.412) 3.864 16.245 ( 13.350 0.515 3.821) 13.896 16.321 ( 12.891 -6.170 -3.274) 14.662 16.756 ( -3.114 -2.818 3.468) 5.446 16.798 ( -2.611 -5.505 -0.366) 6.104 17.067 ( -1.593 2.106 1.710) 3.146 17.081 ( -0.641 4.371 0.609) 4.459 17.118 ( 3.017 -1.723 4.103) 5.377 17.189 ( 0.552 -6.115 -1.000) 6.220 17.353 ( 4.414 1.484 0.927) 4.748 17.372 ( 3.446 -0.517 0.833) 3.583 17.443 ( 0.748 -0.166 -2.314) 2.437 17.450 ( -0.215 -0.461 -1.276) 1.374 17.572 ( 0.623 2.193 -0.803) 2.417 17.591 ( 0.517 1.088 -1.470) 1.901 17.693 ( -2.309 4.153 -0.478) 4.775 17.722 ( -2.239 1.399 -3.096) 4.069 18.031 ( -2.219 -0.213 0.918) 2.411 18.049 ( -4.417 -1.342 -0.573) 4.652 18.090 ( -2.871 -0.064 -4.221) 5.105 18.104 ( -5.809 -1.275 -6.058) 8.489 18.870 ( 1.585 3.359 0.052) 3.714 18.896 ( 1.060 3.304 -2.210) 4.114 18.948 ( 1.863 -2.046 1.736) 3.267 18.988 ( 0.775 -3.492 -1.769) 3.991 19.609 ( -2.874 1.902 5.183) 6.225 19.646 ( -2.972 -1.789 1.494) 3.777 19.769 ( -7.186 0.394 3.793) 8.135 19.787 ( -6.682 -1.448 2.055) 7.140 19.913 ( 8.229 0.507 -0.087) 8.245 19.918 ( 7.865 0.099 -0.466) 7.880 20.321 ( -9.571 0.959 1.967) 9.818 20.343 ( -10.097 -1.176 -0.151) 10.166 20.440 ( -1.619 1.231 0.119) 2.038 20.463 ( -1.451 -1.047 0.106) 1.793 20.513 ( -4.273 1.146 -5.584) 7.124 20.534 ( -4.123 -1.012 -5.396) 6.865 ======================= Grid point 94 (40/40) ======================= q-point: (-0.50 0.33 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 54 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.397 ( -4.802 4.493 -0.980) 6.649 1.397 ( 4.802 4.493 -0.980) 6.649 1.471 ( -3.834 -2.261 -0.110) 4.452 1.471 ( 3.834 -2.261 -0.110) 4.452 1.805 ( -1.598 2.278 4.380) 5.189 1.805 ( 1.598 2.278 4.379) 5.189 1.873 ( -1.436 -3.506 1.615) 4.119 1.873 ( 1.436 -3.506 1.615) 4.119 2.169 ( -3.049 1.914 4.265) 5.581 2.169 ( 3.049 1.914 4.265) 5.581 2.212 ( -2.385 -2.371 -0.201) 3.369 2.212 ( 2.385 -2.371 -0.201) 3.369 2.420 ( -1.009 4.694 1.640) 5.073 2.420 ( 1.009 4.694 1.640) 5.073 2.475 ( -1.164 -2.155 1.277) 2.762 2.475 ( 1.164 -2.155 1.277) 2.762 2.585 ( -0.947 -1.379 -0.455) 1.734 2.585 ( 0.947 -1.379 -0.455) 1.734 2.651 ( -0.657 -5.454 -4.561) 7.140 2.651 ( 0.657 -5.454 -4.561) 7.140 2.832 ( -1.464 5.601 1.459) 5.970 2.832 ( 1.464 5.601 1.459) 5.970 2.874 ( -1.216 1.418 0.317) 1.894 2.874 ( 1.216 1.418 0.317) 1.894 3.211 ( -1.446 0.128 2.624) 2.999 3.211 ( 1.447 0.128 2.624) 2.999 3.239 ( -1.013 -2.654 -0.617) 2.907 3.239 ( 1.013 -2.654 -0.617) 2.907 3.443 ( -2.045 2.790 2.830) 4.469 3.443 ( 2.045 2.790 2.830) 4.469 3.499 ( -0.664 -4.276 -0.486) 4.354 3.499 ( 0.664 -4.276 -0.486) 4.354 3.852 ( -2.457 6.310 3.672) 7.703 3.852 ( 2.457 6.310 3.672) 7.703 3.950 ( -2.016 -4.739 2.797) 5.860 3.950 ( 2.016 -4.739 2.797) 5.860 4.165 ( -2.305 4.666 1.678) 5.468 4.165 ( 2.305 4.666 1.678) 5.468 4.202 ( -4.161 0.746 -1.133) 4.377 4.202 ( 4.161 0.746 -1.133) 4.377 4.234 ( -3.227 1.800 3.463) 5.064 4.234 ( 3.227 1.800 3.463) 5.064 4.306 ( -1.002 0.032 -2.180) 2.399 4.306 ( 1.002 0.032 -2.180) 2.399 4.425 ( -0.405 -1.316 0.394) 1.432 4.425 ( 0.405 -1.316 0.394) 1.432 4.528 ( -1.739 -7.600 -0.981) 7.858 4.528 ( 1.739 -7.600 -0.981) 7.858 4.776 ( -3.659 3.170 -1.687) 5.127 4.776 ( 3.659 3.170 -1.687) 5.127 4.829 ( -3.747 -2.793 -2.855) 5.476 4.829 ( 3.747 -2.793 -2.855) 5.476 5.404 ( -3.579 2.918 -1.743) 4.935 5.404 ( 3.579 2.918 -1.743) 4.935 5.487 ( -3.807 -5.429 -2.119) 6.961 5.487 ( 3.807 -5.429 -2.119) 6.961 5.765 ( -0.704 4.847 2.175) 5.359 5.765 ( 0.704 4.847 2.175) 5.359 5.860 ( -0.577 -5.288 2.279) 5.787 5.860 ( 0.577 -5.288 2.279) 5.787 6.003 ( -1.473 2.262 -0.350) 2.722 6.003 ( 1.473 2.262 -0.350) 2.722 6.033 ( -0.211 -0.234 -0.296) 0.432 6.033 ( 0.211 -0.234 -0.296) 0.432 6.222 ( -1.227 6.788 0.602) 6.925 6.222 ( 1.227 6.788 0.602) 6.925 6.354 ( -2.577 -6.715 0.496) 7.210 6.354 ( 2.577 -6.715 0.496) 7.210 6.551 ( -2.610 2.439 -2.327) 4.264 6.551 ( 2.610 2.439 -2.327) 4.264 6.572 ( -2.856 0.111 -3.877) 4.817 6.572 ( 2.856 0.111 -3.877) 4.817 6.933 ( -5.945 1.079 0.999) 6.124 6.933 ( 5.945 1.079 0.999) 6.124 6.947 ( -5.897 -0.278 -0.671) 5.942 6.947 ( 5.897 -0.278 -0.671) 5.942 7.437 ( -0.530 5.123 1.006) 5.248 7.437 ( 0.530 5.123 1.006) 5.248 7.573 ( -0.467 -9.152 -0.139) 9.165 7.573 ( 0.467 -9.152 -0.139) 9.165 7.991 ( -0.555 10.168 -0.262) 10.186 7.991 ( 0.555 10.168 -0.262) 10.186 8.164 ( -0.597 -8.250 0.440) 8.283 8.164 ( 0.597 -8.250 0.440) 8.283 8.487 ( -0.809 8.128 -0.423) 8.179 8.487 ( 0.809 8.128 -0.423) 8.179 8.653 ( -0.236 -9.021 -1.194) 9.103 8.653 ( 0.236 -9.021 -1.194) 9.103 9.348 ( -0.525 1.202 -0.216) 1.329 9.348 ( 0.525 1.202 -0.216) 1.329 9.378 ( -1.181 -1.970 -0.114) 2.299 9.378 ( 1.181 -1.970 -0.114) 2.299 9.441 ( -0.508 4.389 0.588) 4.457 9.441 ( 0.508 4.389 0.588) 4.457 9.488 ( -0.316 -0.352 0.577) 0.746 9.488 ( 0.316 -0.352 0.577) 0.746 9.692 ( -2.146 2.041 1.283) 3.227 9.692 ( 2.146 2.041 1.283) 3.227 9.751 ( -1.877 -3.698 -0.325) 4.160 9.751 ( 1.877 -3.698 -0.325) 4.160 10.173 ( -6.096 1.839 2.556) 6.861 10.173 ( 6.096 1.839 2.556) 6.861 10.204 ( -6.047 -1.231 1.416) 6.331 10.204 ( 6.047 -1.231 1.416) 6.331 11.213 ( -1.308 2.093 -0.448) 2.508 11.213 ( 1.308 2.093 -0.448) 2.508 11.261 ( -1.128 -2.645 -0.579) 2.933 11.261 ( 1.128 -2.645 -0.579) 2.933 11.662 ( -8.495 1.669 1.165) 8.735 11.662 ( 8.495 1.669 1.165) 8.735 11.691 ( -8.657 -1.235 0.616) 8.766 11.691 ( 8.656 -1.235 0.616) 8.766 12.896 ( -7.037 0.334 3.241) 7.755 12.896 ( 7.037 0.334 3.241) 7.755 12.903 ( -6.702 -0.340 2.516) 7.167 12.903 ( 6.702 -0.340 2.516) 7.167 14.010 ( -0.527 0.326 -0.965) 1.147 14.010 ( 0.527 0.326 -0.965) 1.147 14.050 ( -0.482 -3.989 -1.639) 4.340 14.050 ( 0.482 -3.989 -1.639) 4.340 14.188 ( -0.605 1.122 -3.188) 3.434 14.188 ( 0.605 1.122 -3.188) 3.434 14.192 ( -0.464 0.917 -2.867) 3.046 14.192 ( 0.464 0.917 -2.867) 3.046 14.795 ( -1.374 2.966 1.024) 3.425 14.795 ( 1.374 2.966 1.024) 3.425 14.890 ( -0.323 -7.490 -1.359) 7.619 14.890 ( 0.323 -7.490 -1.359) 7.619 15.277 ( -1.078 7.475 1.998) 7.813 15.277 ( 1.078 7.475 1.998) 7.813 15.325 ( -0.650 3.071 -0.797) 3.239 15.325 ( 0.650 3.071 -0.797) 3.239 16.519 ( -6.701 1.480 1.769) 7.087 16.519 ( 6.701 1.480 1.769) 7.087 16.650 ( -5.758 -12.218 0.042) 13.507 16.650 ( 5.758 -12.218 0.042) 13.507 17.073 ( -1.358 7.437 1.817) 7.775 17.073 ( 1.358 7.437 1.817) 7.775 17.173 ( -2.471 -3.776 -1.056) 4.634 17.173 ( 2.471 -3.776 -1.056) 4.634 17.424 ( -1.930 0.434 1.429) 2.440 17.424 ( 1.930 0.434 1.429) 2.440 17.443 ( -1.827 -1.286 0.879) 2.401 17.443 ( 1.827 -1.286 0.879) 2.401 17.614 ( -2.775 3.818 -1.672) 5.008 17.614 ( 2.775 3.818 -1.672) 5.008 17.648 ( -3.158 1.012 -3.178) 4.594 17.648 ( 3.158 1.012 -3.178) 4.594 18.010 ( -1.930 0.448 -3.187) 3.752 18.010 ( 1.930 0.449 -3.187) 3.752 18.039 ( -1.570 -2.484 -1.612) 3.352 18.039 ( 1.570 -2.484 -1.612) 3.352 18.893 ( -0.745 5.088 -0.991) 5.237 18.893 ( 0.745 5.088 -0.991) 5.237 18.987 ( -1.119 -4.261 -0.054) 4.405 18.987 ( 1.119 -4.261 -0.054) 4.405 19.629 ( -4.435 1.391 5.278) 7.033 19.629 ( 4.435 1.391 5.278) 7.033 19.661 ( -3.874 -1.839 2.539) 4.984 19.661 ( 3.874 -1.839 2.539) 4.984 20.096 ( -2.514 1.855 0.567) 3.175 20.096 ( 2.514 1.855 0.567) 3.175 20.132 ( -3.072 -1.749 0.140) 3.538 20.132 ( 3.072 -1.749 0.140) 3.538 20.443 ( -1.781 1.384 -3.502) 4.166 20.443 ( 1.781 1.384 -3.502) 4.166 20.469 ( -1.727 -1.240 -2.957) 3.642 20.469 ( 1.727 -1.240 -2.957) 3.642 =================== 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 3/27216 10.0 46.977 75.977 94.397 0.000 0.000 0.000 3/27216 20.0 12.957 27.261 37.880 0.000 0.000 0.000 3/27216 30.0 7.568 14.600 21.568 0.000 0.000 0.000 3/27216 40.0 5.373 9.591 14.454 0.000 0.000 0.000 3/27216 50.0 4.154 7.074 10.675 0.000 0.000 0.000 3/27216 60.0 3.382 5.599 8.398 0.000 0.000 0.000 3/27216 70.0 2.854 4.638 6.897 0.000 0.000 0.000 3/27216 80.0 2.472 3.965 5.841 0.000 0.000 0.000 3/27216 90.0 2.183 3.467 5.062 0.000 0.000 0.000 3/27216 100.0 1.957 3.083 4.464 0.000 0.000 0.000 3/27216 110.0 1.777 2.778 3.994 0.000 0.000 0.000 3/27216 120.0 1.628 2.529 3.613 0.000 0.000 0.000 3/27216 130.0 1.505 2.322 3.300 0.000 0.000 0.000 3/27216 140.0 1.400 2.148 3.038 0.000 0.000 0.000 3/27216 150.0 1.309 1.998 2.815 0.000 0.000 0.000 3/27216 160.0 1.231 1.869 2.624 0.000 0.000 0.000 3/27216 170.0 1.162 1.756 2.458 0.000 0.000 0.000 3/27216 180.0 1.100 1.656 2.312 0.000 0.000 0.000 3/27216 190.0 1.046 1.568 2.183 0.000 0.000 0.000 3/27216 200.0 0.997 1.488 2.069 0.000 0.000 0.000 3/27216 210.0 0.952 1.417 1.966 0.000 0.000 0.000 3/27216 220.0 0.912 1.352 1.873 0.000 0.000 0.000 3/27216 230.0 0.875 1.293 1.789 0.000 0.000 0.000 3/27216 240.0 0.840 1.239 1.712 0.000 0.000 0.000 3/27216 250.0 0.809 1.189 1.642 0.000 0.000 0.000 3/27216 260.0 0.780 1.144 1.577 0.000 0.000 0.000 3/27216 270.0 0.753 1.102 1.518 0.000 0.000 0.000 3/27216 280.0 0.728 1.062 1.463 0.000 0.000 0.000 3/27216 290.0 0.704 1.026 1.412 0.000 0.000 0.000 3/27216 300.0 0.682 0.992 1.364 0.000 0.000 0.000 3/27216 310.0 0.662 0.960 1.320 0.000 0.000 0.000 3/27216 320.0 0.642 0.931 1.278 0.000 0.000 0.000 3/27216 330.0 0.624 0.903 1.239 0.000 0.000 0.000 3/27216 340.0 0.607 0.876 1.203 0.000 0.000 0.000 3/27216 350.0 0.590 0.851 1.168 0.000 0.000 0.000 3/27216 360.0 0.575 0.828 1.136 0.000 0.000 0.000 3/27216 370.0 0.560 0.806 1.105 0.000 0.000 0.000 3/27216 380.0 0.546 0.785 1.076 0.000 0.000 0.000 3/27216 390.0 0.533 0.765 1.048 0.000 0.000 0.000 3/27216 400.0 0.520 0.746 1.022 0.000 0.000 0.000 3/27216 410.0 0.508 0.728 0.997 0.000 0.000 0.000 3/27216 420.0 0.497 0.711 0.973 0.000 0.000 0.000 3/27216 430.0 0.486 0.694 0.951 0.000 0.000 0.000 3/27216 440.0 0.475 0.679 0.929 0.000 0.000 0.000 3/27216 450.0 0.465 0.664 0.908 0.000 0.000 0.000 3/27216 460.0 0.455 0.650 0.889 0.000 0.000 0.000 3/27216 470.0 0.446 0.636 0.870 0.000 0.000 0.000 3/27216 480.0 0.437 0.623 0.852 0.000 0.000 0.000 3/27216 490.0 0.428 0.610 0.834 0.000 0.000 0.000 3/27216 500.0 0.420 0.598 0.818 0.000 0.000 0.000 3/27216 510.0 0.412 0.586 0.802 0.000 0.000 0.000 3/27216 520.0 0.405 0.575 0.786 0.000 0.000 0.000 3/27216 530.0 0.397 0.564 0.771 0.000 0.000 0.000 3/27216 540.0 0.390 0.554 0.757 0.000 0.000 0.000 3/27216 550.0 0.383 0.544 0.743 0.000 0.000 0.000 3/27216 560.0 0.377 0.534 0.730 0.000 0.000 0.000 3/27216 570.0 0.370 0.525 0.717 0.000 0.000 0.000 3/27216 580.0 0.364 0.516 0.705 0.000 0.000 0.000 3/27216 590.0 0.358 0.508 0.693 0.000 0.000 0.000 3/27216 600.0 0.352 0.499 0.682 0.000 0.000 0.000 3/27216 610.0 0.347 0.491 0.671 0.000 0.000 0.000 3/27216 620.0 0.341 0.483 0.660 0.000 0.000 0.000 3/27216 630.0 0.336 0.476 0.649 0.000 0.000 0.000 3/27216 640.0 0.331 0.468 0.639 0.000 0.000 0.000 3/27216 650.0 0.326 0.461 0.629 0.000 0.000 0.000 3/27216 660.0 0.321 0.454 0.620 0.000 0.000 0.000 3/27216 670.0 0.316 0.447 0.611 0.000 0.000 0.000 3/27216 680.0 0.312 0.441 0.602 0.000 0.000 0.000 3/27216 690.0 0.307 0.434 0.593 0.000 0.000 0.000 3/27216 700.0 0.303 0.428 0.585 0.000 0.000 0.000 3/27216 710.0 0.299 0.422 0.576 0.000 0.000 0.000 3/27216 720.0 0.295 0.416 0.568 0.000 0.000 0.000 3/27216 730.0 0.291 0.411 0.561 0.000 0.000 0.000 3/27216 740.0 0.287 0.405 0.553 0.000 0.000 0.000 3/27216 750.0 0.283 0.400 0.546 0.000 0.000 0.000 3/27216 760.0 0.280 0.395 0.539 0.000 0.000 0.000 3/27216 770.0 0.276 0.390 0.532 0.000 0.000 0.000 3/27216 780.0 0.273 0.385 0.525 0.000 0.000 0.000 3/27216 790.0 0.269 0.380 0.518 0.000 0.000 0.000 3/27216 800.0 0.266 0.375 0.512 0.000 0.000 0.000 3/27216 810.0 0.263 0.370 0.505 0.000 0.000 0.000 3/27216 820.0 0.260 0.366 0.499 0.000 0.000 0.000 3/27216 830.0 0.256 0.361 0.493 0.000 0.000 0.000 3/27216 840.0 0.253 0.357 0.487 0.000 0.000 0.000 3/27216 850.0 0.251 0.353 0.482 0.000 0.000 0.000 3/27216 860.0 0.248 0.349 0.476 0.000 0.000 0.000 3/27216 870.0 0.245 0.345 0.471 0.000 0.000 0.000 3/27216 880.0 0.242 0.341 0.465 0.000 0.000 0.000 3/27216 890.0 0.239 0.337 0.460 0.000 0.000 0.000 3/27216 900.0 0.237 0.334 0.455 0.000 0.000 0.000 3/27216 910.0 0.234 0.330 0.450 0.000 0.000 0.000 3/27216 920.0 0.232 0.326 0.445 0.000 0.000 0.000 3/27216 930.0 0.229 0.323 0.440 0.000 0.000 0.000 3/27216 940.0 0.227 0.319 0.436 0.000 0.000 0.000 3/27216 950.0 0.225 0.316 0.431 0.000 0.000 0.000 3/27216 960.0 0.222 0.313 0.427 0.000 0.000 0.000 3/27216 970.0 0.220 0.310 0.422 0.000 0.000 0.000 3/27216 980.0 0.218 0.306 0.418 0.000 0.000 0.000 3/27216 990.0 0.216 0.303 0.414 0.000 0.000 0.000 3/27216 1000.0 0.213 0.300 0.410 0.000 0.000 0.000 3/27216 Thermal conductivity related properties were written into "kappa-m639.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 07:09:16]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|