----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-07 23:11:18]------------------------- Compiled with OpenMP support (max 48 threads). Running in phonopy.load mode. Python version 3.14.2 Spglib version 2.6.1 Crystal structure was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". Unit of length: angstrom Settings: Supercell: [2 2 2] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: Pmn2_1 (31) Number of symmetry operations in supercell: 32 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 7.001652590000000 0.000000000000000 0.000000000000000 b 0.000000000000000 5.184602490000001 0.000000000000000 c 0.000000000000000 0.000000000000000 5.036300710000000 Atomic positions (fractional): *1 Li 0.25058027268334 0.32026975589640 0.50852783020031 6.941 2 Li 0.75058027268334 0.67973024410360 0.00852783020031 6.941 3 Li 0.74941972731666 0.32026975589640 0.50852783020031 6.941 4 Li 0.24941972731666 0.67973024410360 0.00852783020031 6.941 *5 O 0.00000000000000 0.86656545159944 0.06195021935590 15.999 *6 O 0.00000000000000 0.23168254110035 0.66295017866731 15.999 7 O 0.50000000000000 0.13343454840056 0.56195021935590 15.999 8 O 0.50000000000000 0.76831745889965 0.16295017866731 15.999 *9 O 0.19828051130761 0.32868787902482 0.12860651722419 15.999 10 O 0.30171948869239 0.67131212097518 0.62860651722419 15.999 11 O 0.69828051130761 0.67131212097518 0.62860651722419 15.999 12 O 0.80171948869239 0.32868787902482 0.12860651722419 15.999 *13 Na 0.00000000000000 0.78704089536540 0.52208722124547 22.990 14 Na 0.50000000000000 0.21295910463460 0.02208722124547 22.990 *15 As 0.50000000000000 0.80991801352024 0.49884368588233 74.922 16 As 0.00000000000000 0.19008198647976 0.99884368588233 74.922 -------------------------------- unit cell --------------------------------- Lattice vectors: a 7.001652590000000 0.000000000000000 0.000000000000000 b 0.000000000000000 5.184602490000001 0.000000000000000 c 0.000000000000000 0.000000000000000 5.036300710000000 Atomic positions (fractional): *1 Li 0.25058027268334 0.32026975589640 0.50852783020031 6.941 > 1 2 Li 0.75058027268334 0.67973024410360 0.00852783020031 6.941 > 2 3 Li 0.74941972731666 0.32026975589640 0.50852783020031 6.941 > 3 4 Li 0.24941972731666 0.67973024410360 0.00852783020031 6.941 > 4 *5 O 0.00000000000000 0.86656545159944 0.06195021935590 15.999 > 5 *6 O 0.00000000000000 0.23168254110035 0.66295017866731 15.999 > 6 7 O 0.50000000000000 0.13343454840056 0.56195021935590 15.999 > 7 8 O 0.50000000000000 0.76831745889965 0.16295017866731 15.999 > 8 *9 O 0.19828051130761 0.32868787902482 0.12860651722419 15.999 > 9 10 O 0.30171948869239 0.67131212097518 0.62860651722419 15.999 > 10 11 O 0.69828051130761 0.67131212097518 0.62860651722419 15.999 > 11 12 O 0.80171948869239 0.32868787902482 0.12860651722419 15.999 > 12 *13 Na 0.00000000000000 0.78704089536540 0.52208722124547 22.990 > 13 14 Na 0.50000000000000 0.21295910463460 0.02208722124547 22.990 > 14 *15 As 0.50000000000000 0.80991801352024 0.49884368588233 74.922 > 15 16 As 0.00000000000000 0.19008198647976 0.99884368588233 74.922 > 16 -------------------------------- super cell -------------------------------- Lattice vectors: a 14.003305180000000 0.000000000000000 0.000000000000000 b 0.000000000000000 10.369204980000003 0.000000000000000 c 0.000000000000000 0.000000000000000 10.072601420000000 Atomic positions (fractional): *1 Li 0.12529013634167 0.16013487794820 0.25426391510015 6.941 > 1 2 Li 0.62529013634167 0.16013487794820 0.25426391510015 6.941 > 1 3 Li 0.12529013634167 0.66013487794820 0.25426391510015 6.941 > 1 4 Li 0.62529013634167 0.66013487794820 0.25426391510015 6.941 > 1 5 Li 0.12529013634167 0.16013487794820 0.75426391510015 6.941 > 1 6 Li 0.62529013634167 0.16013487794820 0.75426391510015 6.941 > 1 7 Li 0.12529013634167 0.66013487794820 0.75426391510015 6.941 > 1 8 Li 0.62529013634167 0.66013487794820 0.75426391510015 6.941 > 1 9 Li 0.37529013634167 0.33986512205180 0.00426391510015 6.941 > 2 10 Li 0.87529013634167 0.33986512205180 0.00426391510015 6.941 > 2 11 Li 0.37529013634167 0.83986512205180 0.00426391510015 6.941 > 2 12 Li 0.87529013634167 0.83986512205180 0.00426391510015 6.941 > 2 13 Li 0.37529013634167 0.33986512205180 0.50426391510015 6.941 > 2 14 Li 0.87529013634167 0.33986512205180 0.50426391510015 6.941 > 2 15 Li 0.37529013634167 0.83986512205180 0.50426391510015 6.941 > 2 16 Li 0.87529013634167 0.83986512205180 0.50426391510015 6.941 > 2 17 Li 0.37470986365833 0.16013487794820 0.25426391510015 6.941 > 3 18 Li 0.87470986365833 0.16013487794820 0.25426391510015 6.941 > 3 19 Li 0.37470986365833 0.66013487794820 0.25426391510015 6.941 > 3 20 Li 0.87470986365833 0.66013487794820 0.25426391510015 6.941 > 3 21 Li 0.37470986365833 0.16013487794820 0.75426391510015 6.941 > 3 22 Li 0.87470986365833 0.16013487794820 0.75426391510015 6.941 > 3 23 Li 0.37470986365833 0.66013487794820 0.75426391510015 6.941 > 3 24 Li 0.87470986365833 0.66013487794820 0.75426391510015 6.941 > 3 25 Li 0.12470986365833 0.33986512205180 0.00426391510015 6.941 > 4 26 Li 0.62470986365833 0.33986512205180 0.00426391510015 6.941 > 4 27 Li 0.12470986365833 0.83986512205180 0.00426391510015 6.941 > 4 28 Li 0.62470986365833 0.83986512205180 0.00426391510015 6.941 > 4 29 Li 0.12470986365833 0.33986512205180 0.50426391510015 6.941 > 4 30 Li 0.62470986365833 0.33986512205180 0.50426391510015 6.941 > 4 31 Li 0.12470986365833 0.83986512205180 0.50426391510015 6.941 > 4 32 Li 0.62470986365833 0.83986512205180 0.50426391510015 6.941 > 4 *33 O 0.00000000000000 0.43328272579972 0.03097510967795 15.999 > 5 34 O 0.50000000000000 0.43328272579972 0.03097510967795 15.999 > 5 35 O 0.00000000000000 0.93328272579972 0.03097510967795 15.999 > 5 36 O 0.50000000000000 0.93328272579972 0.03097510967795 15.999 > 5 37 O 0.00000000000000 0.43328272579972 0.53097510967795 15.999 > 5 38 O 0.50000000000000 0.43328272579972 0.53097510967795 15.999 > 5 39 O 0.00000000000000 0.93328272579972 0.53097510967795 15.999 > 5 40 O 0.50000000000000 0.93328272579972 0.53097510967795 15.999 > 5 *41 O 0.00000000000000 0.11584127055018 0.33147508933365 15.999 > 6 42 O 0.50000000000000 0.11584127055018 0.33147508933365 15.999 > 6 43 O 0.00000000000000 0.61584127055018 0.33147508933365 15.999 > 6 44 O 0.50000000000000 0.61584127055018 0.33147508933365 15.999 > 6 45 O 0.00000000000000 0.11584127055018 0.83147508933365 15.999 > 6 46 O 0.50000000000000 0.11584127055018 0.83147508933365 15.999 > 6 47 O 0.00000000000000 0.61584127055018 0.83147508933365 15.999 > 6 48 O 0.50000000000000 0.61584127055018 0.83147508933365 15.999 > 6 49 O 0.25000000000000 0.06671727420028 0.28097510967795 15.999 > 7 50 O 0.75000000000000 0.06671727420028 0.28097510967795 15.999 > 7 51 O 0.25000000000000 0.56671727420028 0.28097510967795 15.999 > 7 52 O 0.75000000000000 0.56671727420028 0.28097510967795 15.999 > 7 53 O 0.25000000000000 0.06671727420028 0.78097510967795 15.999 > 7 54 O 0.75000000000000 0.06671727420028 0.78097510967795 15.999 > 7 55 O 0.25000000000000 0.56671727420028 0.78097510967795 15.999 > 7 56 O 0.75000000000000 0.56671727420028 0.78097510967795 15.999 > 7 57 O 0.25000000000000 0.38415872944982 0.08147508933365 15.999 > 8 58 O 0.75000000000000 0.38415872944982 0.08147508933365 15.999 > 8 59 O 0.25000000000000 0.88415872944982 0.08147508933365 15.999 > 8 60 O 0.75000000000000 0.88415872944982 0.08147508933365 15.999 > 8 61 O 0.25000000000000 0.38415872944982 0.58147508933365 15.999 > 8 62 O 0.75000000000000 0.38415872944982 0.58147508933365 15.999 > 8 63 O 0.25000000000000 0.88415872944982 0.58147508933365 15.999 > 8 64 O 0.75000000000000 0.88415872944982 0.58147508933365 15.999 > 8 *65 O 0.09914025565381 0.16434393951241 0.06430325861210 15.999 > 9 66 O 0.59914025565381 0.16434393951241 0.06430325861210 15.999 > 9 67 O 0.09914025565381 0.66434393951241 0.06430325861210 15.999 > 9 68 O 0.59914025565381 0.66434393951241 0.06430325861210 15.999 > 9 69 O 0.09914025565381 0.16434393951241 0.56430325861210 15.999 > 9 70 O 0.59914025565381 0.16434393951241 0.56430325861210 15.999 > 9 71 O 0.09914025565381 0.66434393951241 0.56430325861210 15.999 > 9 72 O 0.59914025565381 0.66434393951241 0.56430325861210 15.999 > 9 73 O 0.15085974434619 0.33565606048759 0.31430325861210 15.999 > 10 74 O 0.65085974434619 0.33565606048759 0.31430325861210 15.999 > 10 75 O 0.15085974434619 0.83565606048759 0.31430325861210 15.999 > 10 76 O 0.65085974434619 0.83565606048759 0.31430325861210 15.999 > 10 77 O 0.15085974434619 0.33565606048759 0.81430325861210 15.999 > 10 78 O 0.65085974434619 0.33565606048759 0.81430325861210 15.999 > 10 79 O 0.15085974434619 0.83565606048759 0.81430325861210 15.999 > 10 80 O 0.65085974434619 0.83565606048759 0.81430325861210 15.999 > 10 81 O 0.34914025565381 0.33565606048759 0.31430325861210 15.999 > 11 82 O 0.84914025565381 0.33565606048759 0.31430325861210 15.999 > 11 83 O 0.34914025565381 0.83565606048759 0.31430325861210 15.999 > 11 84 O 0.84914025565381 0.83565606048759 0.31430325861210 15.999 > 11 85 O 0.34914025565381 0.33565606048759 0.81430325861210 15.999 > 11 86 O 0.84914025565381 0.33565606048759 0.81430325861210 15.999 > 11 87 O 0.34914025565381 0.83565606048759 0.81430325861210 15.999 > 11 88 O 0.84914025565381 0.83565606048759 0.81430325861210 15.999 > 11 89 O 0.40085974434619 0.16434393951241 0.06430325861210 15.999 > 12 90 O 0.90085974434619 0.16434393951241 0.06430325861210 15.999 > 12 91 O 0.40085974434619 0.66434393951241 0.06430325861210 15.999 > 12 92 O 0.90085974434619 0.66434393951241 0.06430325861210 15.999 > 12 93 O 0.40085974434619 0.16434393951241 0.56430325861210 15.999 > 12 94 O 0.90085974434619 0.16434393951241 0.56430325861210 15.999 > 12 95 O 0.40085974434619 0.66434393951241 0.56430325861210 15.999 > 12 96 O 0.90085974434619 0.66434393951241 0.56430325861210 15.999 > 12 *97 Na 0.00000000000000 0.39352044768270 0.26104361062273 22.990 > 13 98 Na 0.50000000000000 0.39352044768270 0.26104361062273 22.990 > 13 99 Na 0.00000000000000 0.89352044768270 0.26104361062273 22.990 > 13 100 Na 0.50000000000000 0.89352044768270 0.26104361062273 22.990 > 13 101 Na 0.00000000000000 0.39352044768270 0.76104361062273 22.990 > 13 102 Na 0.50000000000000 0.39352044768270 0.76104361062273 22.990 > 13 103 Na 0.00000000000000 0.89352044768270 0.76104361062273 22.990 > 13 104 Na 0.50000000000000 0.89352044768270 0.76104361062273 22.990 > 13 105 Na 0.25000000000000 0.10647955231730 0.01104361062273 22.990 > 14 106 Na 0.75000000000000 0.10647955231730 0.01104361062273 22.990 > 14 107 Na 0.25000000000000 0.60647955231730 0.01104361062273 22.990 > 14 108 Na 0.75000000000000 0.60647955231730 0.01104361062273 22.990 > 14 109 Na 0.25000000000000 0.10647955231730 0.51104361062273 22.990 > 14 110 Na 0.75000000000000 0.10647955231730 0.51104361062273 22.990 > 14 111 Na 0.25000000000000 0.60647955231730 0.51104361062273 22.990 > 14 112 Na 0.75000000000000 0.60647955231730 0.51104361062273 22.990 > 14 *113 As 0.25000000000000 0.40495900676012 0.24942184294117 74.922 > 15 114 As 0.75000000000000 0.40495900676012 0.24942184294117 74.922 > 15 115 As 0.25000000000000 0.90495900676012 0.24942184294117 74.922 > 15 116 As 0.75000000000000 0.90495900676012 0.24942184294117 74.922 > 15 117 As 0.25000000000000 0.40495900676012 0.74942184294117 74.922 > 15 118 As 0.75000000000000 0.40495900676012 0.74942184294117 74.922 > 15 119 As 0.25000000000000 0.90495900676012 0.74942184294117 74.922 > 15 120 As 0.75000000000000 0.90495900676012 0.74942184294117 74.922 > 15 121 As 0.00000000000000 0.09504099323988 0.49942184294117 74.922 > 16 122 As 0.50000000000000 0.09504099323988 0.49942184294117 74.922 > 16 123 As 0.00000000000000 0.59504099323988 0.49942184294117 74.922 > 16 124 As 0.50000000000000 0.59504099323988 0.49942184294117 74.922 > 16 125 As 0.00000000000000 0.09504099323988 0.99942184294117 74.922 > 16 126 As 0.50000000000000 0.09504099323988 0.99942184294117 74.922 > 16 127 As 0.00000000000000 0.59504099323988 0.99942184294117 74.922 > 16 128 As 0.50000000000000 0.59504099323988 0.99942184294117 74.922 > 16 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 2.7004694 0.0000000 0.0000000 0.0000000 2.7512306 0.0000000 0.0000000 0.0000000 2.7539277 -------------------------- Born effective charges -------------------------- 1 Li 1.0094945 0.0807880 0.1071706 -0.0871182 1.0275364 0.0471026 -0.1195849 -0.0445237 1.0078676 2 Li 1.0094945 -0.0807880 0.1071706 0.0871182 1.0275364 -0.0471026 -0.1195849 0.0445237 1.0078676 3 Li 1.0094945 -0.0807880 -0.1071706 0.0871182 1.0275364 0.0471026 0.1195849 -0.0445237 1.0078676 4 Li 1.0094945 0.0807880 -0.1071706 -0.0871182 1.0275364 -0.0471026 0.1195849 0.0445237 1.0078676 5 O -1.3060010 0.0000000 0.0000000 0.0000000 -2.0321812 0.1428840 0.0000000 0.1289130 -1.2553999 6 O -1.3116296 0.0000000 0.0000000 0.0000000 -1.2033006 0.1198371 0.0000000 0.1196944 -2.0675876 7 O -1.3060010 0.0000000 0.0000000 0.0000000 -2.0321812 -0.1428840 0.0000000 -0.1289130 -1.2553999 8 O -1.3116296 0.0000000 0.0000000 0.0000000 -1.2033006 -0.1198371 0.0000000 -0.1196944 -2.0675876 9 O -1.7642328 -0.3487897 -0.3024237 -0.2606960 -1.4370090 -0.0899745 -0.3069119 -0.1057434 -1.4583750 10 O -1.7642328 -0.3487897 0.3024237 -0.2606960 -1.4370090 0.0899745 0.3069119 0.1057434 -1.4583750 11 O -1.7642328 0.3487897 -0.3024237 0.2606960 -1.4370090 0.0899745 -0.3069119 0.1057434 -1.4583750 12 O -1.7642328 0.3487897 0.3024237 0.2606960 -1.4370090 -0.0899745 0.3069119 -0.1057434 -1.4583750 13 Na 1.1085885 0.0000000 0.0000000 0.0000000 1.0789004 0.0210228 0.0000000 0.0536604 1.0997592 14 Na 1.1085885 0.0000000 0.0000000 0.0000000 1.0789004 -0.0210228 0.0000000 -0.0536604 1.0997592 15 As 3.0185187 0.0000000 0.0000000 0.0000000 2.9755265 0.0114897 0.0000000 -0.0179328 3.1242430 16 As 3.0185187 0.0000000 0.0000000 0.0000000 2.9755265 -0.0114897 0.0000000 0.0179328 3.1242430 ---------------------------------------------------------------------------- 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: 384/384 Permutation basis: 9696/9696 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 2432 Number of blocks in projector: 2432 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: 576 Use submatrix version of eigh solver. (1) Block: 576 / 576 (2) Block: 250 / 576 (2) 238 eigenvectors found. (2) Block: 500 / 576 (2) 238 eigenvectors found. (2) Block: 576 / 576 (2) 69 eigenvectors found. (2) Complementary block size: 31 (2) Compute compressed projector. (2) Use standard solver. (2) 19 eigenvectors found. (1) 564 eigenvectors found. (1) Complementary block size: 12 (1) Compute compressed projector. (1) Use standard solver. (1) 0 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 448 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 448 Use standard eigh solver. --- Eigsh_solver_block: 4 / 6 --- Block_size: 320 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 320 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 320 Use standard eigh solver. Tree of FC basis block matrices: - (2432, 2394), data: False |-- (320, 314), data: True |-- (320, 314), data: True |-- (320, 314), data: True |-- (448, 444), data: True |-- (448, 444), data: True |-- (576, 564), data: False |-- (576, 564), data: False |-- (576, 19), data: (576, 31) @ (31, 19) |-- (76, 69), data: True |-- (250, 238), data: True |-- (250, 238), data: True ----- Solver_atoms: 1 -- 128 / 128 Time (Solver_compr_matrix_reshape): 0.003 Solver_block: 100 / 480 - Time: 0.602 Solver_block: 200 / 480 - Time: 0.548 Solver_block: 300 / 480 - Time: 0.546 Solver_block: 400 / 480 - Time: 0.549 Solver_block: 480 / 480 - Time: 0.479 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 2.808 --------------------------------- Symfc end -------------------------------- Max drift of force constants: -0.00000000 (zy) -0.00000000 (zy) Permutation basis: 384/384 Permutation basis: 9696/9696 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 2432 Number of blocks in projector: 2432 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: 576 Use submatrix version of eigh solver. (1) Block: 576 / 576 (2) Block: 250 / 576 (2) 238 eigenvectors found. (2) Block: 500 / 576 (2) 238 eigenvectors found. (2) Block: 576 / 576 (2) 69 eigenvectors found. (2) Complementary block size: 31 (2) Compute compressed projector. (2) Use standard solver. (2) 19 eigenvectors found. (1) 564 eigenvectors found. (1) Complementary block size: 12 (1) Compute compressed projector. (1) Use standard solver. (1) 0 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 448 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 448 Use standard eigh solver. --- Eigsh_solver_block: 4 / 6 --- Block_size: 320 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 320 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 320 Use standard eigh solver. Tree of FC basis block matrices: - (2432, 2394), data: False |-- (320, 314), data: True |-- (320, 314), data: True |-- (320, 314), data: True |-- (448, 444), data: True |-- (448, 444), data: True |-- (576, 564), data: False |-- (576, 564), data: False |-- (576, 19), data: (576, 31) @ (31, 19) |-- (76, 69), data: True |-- (250, 238), data: True |-- (250, 238), data: True Max drift after symmetrization by symfc projector: -0.00000000 (zy) -0.00000000 (zy) 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 2026-01-07 23:11:40]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-07 23:11:41]------------------------- Compiled with OpenMP support (max 48 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: force constants HDF5 data compression filter: gzip Crystal structure was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". Supercell (dim): [2 2 2] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: Pmn2_1 (31) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 7.001652590000000 0.000000000000000 0.000000000000000 b 0.000000000000000 5.184602490000001 0.000000000000000 c 0.000000000000000 0.000000000000000 5.036300710000000 Atomic positions (fractional): 1 Li 0.25058027268334 0.32026975589640 0.50852783020031 6.941 2 Li 0.75058027268334 0.67973024410360 0.00852783020031 6.941 3 Li 0.74941972731666 0.32026975589640 0.50852783020031 6.941 4 Li 0.24941972731666 0.67973024410360 0.00852783020031 6.941 5 O 0.00000000000000 0.86656545159944 0.06195021935590 15.999 6 O 0.00000000000000 0.23168254110035 0.66295017866731 15.999 7 O 0.50000000000000 0.13343454840056 0.56195021935590 15.999 8 O 0.50000000000000 0.76831745889965 0.16295017866731 15.999 9 O 0.19828051130761 0.32868787902482 0.12860651722419 15.999 10 O 0.30171948869239 0.67131212097518 0.62860651722419 15.999 11 O 0.69828051130761 0.67131212097518 0.62860651722419 15.999 12 O 0.80171948869239 0.32868787902482 0.12860651722419 15.999 13 Na 0.00000000000000 0.78704089536540 0.52208722124547 22.990 14 Na 0.50000000000000 0.21295910463460 0.02208722124547 22.990 15 As 0.50000000000000 0.80991801352024 0.49884368588233 74.922 16 As 0.00000000000000 0.19008198647976 0.99884368588233 74.922 -------------------------------- supercell --------------------------------- Lattice vectors: a 14.003305180000000 0.000000000000000 0.000000000000000 b 0.000000000000000 10.369204980000003 0.000000000000000 c 0.000000000000000 0.000000000000000 10.072601420000000 Atomic positions (fractional): 1 Li 0.12529013634167 0.16013487794820 0.25426391510015 6.941 > 1 2 Li 0.62529013634167 0.16013487794820 0.25426391510015 6.941 > 1 3 Li 0.12529013634167 0.66013487794820 0.25426391510015 6.941 > 1 4 Li 0.62529013634167 0.66013487794820 0.25426391510015 6.941 > 1 5 Li 0.12529013634167 0.16013487794820 0.75426391510015 6.941 > 1 6 Li 0.62529013634167 0.16013487794820 0.75426391510015 6.941 > 1 7 Li 0.12529013634167 0.66013487794820 0.75426391510015 6.941 > 1 8 Li 0.62529013634167 0.66013487794820 0.75426391510015 6.941 > 1 9 Li 0.37529013634167 0.33986512205180 0.00426391510015 6.941 > 9 10 Li 0.87529013634167 0.33986512205180 0.00426391510015 6.941 > 9 11 Li 0.37529013634167 0.83986512205180 0.00426391510015 6.941 > 9 12 Li 0.87529013634167 0.83986512205180 0.00426391510015 6.941 > 9 13 Li 0.37529013634167 0.33986512205180 0.50426391510015 6.941 > 9 14 Li 0.87529013634167 0.33986512205180 0.50426391510015 6.941 > 9 15 Li 0.37529013634167 0.83986512205180 0.50426391510015 6.941 > 9 16 Li 0.87529013634167 0.83986512205180 0.50426391510015 6.941 > 9 17 Li 0.37470986365833 0.16013487794820 0.25426391510015 6.941 > 17 18 Li 0.87470986365833 0.16013487794820 0.25426391510015 6.941 > 17 19 Li 0.37470986365833 0.66013487794820 0.25426391510015 6.941 > 17 20 Li 0.87470986365833 0.66013487794820 0.25426391510015 6.941 > 17 21 Li 0.37470986365833 0.16013487794820 0.75426391510015 6.941 > 17 22 Li 0.87470986365833 0.16013487794820 0.75426391510015 6.941 > 17 23 Li 0.37470986365833 0.66013487794820 0.75426391510015 6.941 > 17 24 Li 0.87470986365833 0.66013487794820 0.75426391510015 6.941 > 17 25 Li 0.12470986365833 0.33986512205180 0.00426391510015 6.941 > 25 26 Li 0.62470986365833 0.33986512205180 0.00426391510015 6.941 > 25 27 Li 0.12470986365833 0.83986512205180 0.00426391510015 6.941 > 25 28 Li 0.62470986365833 0.83986512205180 0.00426391510015 6.941 > 25 29 Li 0.12470986365833 0.33986512205180 0.50426391510015 6.941 > 25 30 Li 0.62470986365833 0.33986512205180 0.50426391510015 6.941 > 25 31 Li 0.12470986365833 0.83986512205180 0.50426391510015 6.941 > 25 32 Li 0.62470986365833 0.83986512205180 0.50426391510015 6.941 > 25 33 O 0.00000000000000 0.43328272579972 0.03097510967795 15.999 > 33 34 O 0.50000000000000 0.43328272579972 0.03097510967795 15.999 > 33 35 O 0.00000000000000 0.93328272579972 0.03097510967795 15.999 > 33 36 O 0.50000000000000 0.93328272579972 0.03097510967795 15.999 > 33 37 O 0.00000000000000 0.43328272579972 0.53097510967795 15.999 > 33 38 O 0.50000000000000 0.43328272579972 0.53097510967795 15.999 > 33 39 O 0.00000000000000 0.93328272579972 0.53097510967795 15.999 > 33 40 O 0.50000000000000 0.93328272579972 0.53097510967795 15.999 > 33 41 O 0.00000000000000 0.11584127055018 0.33147508933365 15.999 > 41 42 O 0.50000000000000 0.11584127055018 0.33147508933365 15.999 > 41 43 O 0.00000000000000 0.61584127055018 0.33147508933365 15.999 > 41 44 O 0.50000000000000 0.61584127055018 0.33147508933365 15.999 > 41 45 O 0.00000000000000 0.11584127055018 0.83147508933365 15.999 > 41 46 O 0.50000000000000 0.11584127055018 0.83147508933365 15.999 > 41 47 O 0.00000000000000 0.61584127055018 0.83147508933365 15.999 > 41 48 O 0.50000000000000 0.61584127055018 0.83147508933365 15.999 > 41 49 O 0.25000000000000 0.06671727420028 0.28097510967795 15.999 > 49 50 O 0.75000000000000 0.06671727420028 0.28097510967795 15.999 > 49 51 O 0.25000000000000 0.56671727420028 0.28097510967795 15.999 > 49 52 O 0.75000000000000 0.56671727420028 0.28097510967795 15.999 > 49 53 O 0.25000000000000 0.06671727420028 0.78097510967795 15.999 > 49 54 O 0.75000000000000 0.06671727420028 0.78097510967795 15.999 > 49 55 O 0.25000000000000 0.56671727420028 0.78097510967795 15.999 > 49 56 O 0.75000000000000 0.56671727420028 0.78097510967795 15.999 > 49 57 O 0.25000000000000 0.38415872944982 0.08147508933365 15.999 > 57 58 O 0.75000000000000 0.38415872944982 0.08147508933365 15.999 > 57 59 O 0.25000000000000 0.88415872944982 0.08147508933365 15.999 > 57 60 O 0.75000000000000 0.88415872944982 0.08147508933365 15.999 > 57 61 O 0.25000000000000 0.38415872944982 0.58147508933365 15.999 > 57 62 O 0.75000000000000 0.38415872944982 0.58147508933365 15.999 > 57 63 O 0.25000000000000 0.88415872944982 0.58147508933365 15.999 > 57 64 O 0.75000000000000 0.88415872944982 0.58147508933365 15.999 > 57 65 O 0.09914025565381 0.16434393951241 0.06430325861210 15.999 > 65 66 O 0.59914025565381 0.16434393951241 0.06430325861210 15.999 > 65 67 O 0.09914025565381 0.66434393951241 0.06430325861210 15.999 > 65 68 O 0.59914025565381 0.66434393951241 0.06430325861210 15.999 > 65 69 O 0.09914025565381 0.16434393951241 0.56430325861210 15.999 > 65 70 O 0.59914025565381 0.16434393951241 0.56430325861210 15.999 > 65 71 O 0.09914025565381 0.66434393951241 0.56430325861210 15.999 > 65 72 O 0.59914025565381 0.66434393951241 0.56430325861210 15.999 > 65 73 O 0.15085974434619 0.33565606048759 0.31430325861210 15.999 > 73 74 O 0.65085974434619 0.33565606048759 0.31430325861210 15.999 > 73 75 O 0.15085974434619 0.83565606048759 0.31430325861210 15.999 > 73 76 O 0.65085974434619 0.83565606048759 0.31430325861210 15.999 > 73 77 O 0.15085974434619 0.33565606048759 0.81430325861210 15.999 > 73 78 O 0.65085974434619 0.33565606048759 0.81430325861210 15.999 > 73 79 O 0.15085974434619 0.83565606048759 0.81430325861210 15.999 > 73 80 O 0.65085974434619 0.83565606048759 0.81430325861210 15.999 > 73 81 O 0.34914025565381 0.33565606048759 0.31430325861210 15.999 > 81 82 O 0.84914025565381 0.33565606048759 0.31430325861210 15.999 > 81 83 O 0.34914025565381 0.83565606048759 0.31430325861210 15.999 > 81 84 O 0.84914025565381 0.83565606048759 0.31430325861210 15.999 > 81 85 O 0.34914025565381 0.33565606048759 0.81430325861210 15.999 > 81 86 O 0.84914025565381 0.33565606048759 0.81430325861210 15.999 > 81 87 O 0.34914025565381 0.83565606048759 0.81430325861210 15.999 > 81 88 O 0.84914025565381 0.83565606048759 0.81430325861210 15.999 > 81 89 O 0.40085974434619 0.16434393951241 0.06430325861210 15.999 > 89 90 O 0.90085974434619 0.16434393951241 0.06430325861210 15.999 > 89 91 O 0.40085974434619 0.66434393951241 0.06430325861210 15.999 > 89 92 O 0.90085974434619 0.66434393951241 0.06430325861210 15.999 > 89 93 O 0.40085974434619 0.16434393951241 0.56430325861210 15.999 > 89 94 O 0.90085974434619 0.16434393951241 0.56430325861210 15.999 > 89 95 O 0.40085974434619 0.66434393951241 0.56430325861210 15.999 > 89 96 O 0.90085974434619 0.66434393951241 0.56430325861210 15.999 > 89 97 Na 0.00000000000000 0.39352044768270 0.26104361062273 22.990 > 97 98 Na 0.50000000000000 0.39352044768270 0.26104361062273 22.990 > 97 99 Na 0.00000000000000 0.89352044768270 0.26104361062273 22.990 > 97 100 Na 0.50000000000000 0.89352044768270 0.26104361062273 22.990 > 97 101 Na 0.00000000000000 0.39352044768270 0.76104361062273 22.990 > 97 102 Na 0.50000000000000 0.39352044768270 0.76104361062273 22.990 > 97 103 Na 0.00000000000000 0.89352044768270 0.76104361062273 22.990 > 97 104 Na 0.50000000000000 0.89352044768270 0.76104361062273 22.990 > 97 105 Na 0.25000000000000 0.10647955231730 0.01104361062273 22.990 > 105 106 Na 0.75000000000000 0.10647955231730 0.01104361062273 22.990 > 105 107 Na 0.25000000000000 0.60647955231730 0.01104361062273 22.990 > 105 108 Na 0.75000000000000 0.60647955231730 0.01104361062273 22.990 > 105 109 Na 0.25000000000000 0.10647955231730 0.51104361062273 22.990 > 105 110 Na 0.75000000000000 0.10647955231730 0.51104361062273 22.990 > 105 111 Na 0.25000000000000 0.60647955231730 0.51104361062273 22.990 > 105 112 Na 0.75000000000000 0.60647955231730 0.51104361062273 22.990 > 105 113 As 0.25000000000000 0.40495900676012 0.24942184294117 74.922 > 113 114 As 0.75000000000000 0.40495900676012 0.24942184294117 74.922 > 113 115 As 0.25000000000000 0.90495900676012 0.24942184294117 74.922 > 113 116 As 0.75000000000000 0.90495900676012 0.24942184294117 74.922 > 113 117 As 0.25000000000000 0.40495900676012 0.74942184294117 74.922 > 113 118 As 0.75000000000000 0.40495900676012 0.74942184294117 74.922 > 113 119 As 0.25000000000000 0.90495900676012 0.74942184294117 74.922 > 113 120 As 0.75000000000000 0.90495900676012 0.74942184294117 74.922 > 113 121 As 0.00000000000000 0.09504099323988 0.49942184294117 74.922 > 121 122 As 0.50000000000000 0.09504099323988 0.49942184294117 74.922 > 121 123 As 0.00000000000000 0.59504099323988 0.49942184294117 74.922 > 121 124 As 0.50000000000000 0.59504099323988 0.49942184294117 74.922 > 121 125 As 0.00000000000000 0.09504099323988 0.99942184294117 74.922 > 121 126 As 0.50000000000000 0.09504099323988 0.99942184294117 74.922 > 121 127 As 0.00000000000000 0.59504099323988 0.99942184294117 74.922 > 121 128 As 0.50000000000000 0.59504099323988 0.99942184294117 74.922 > 121 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 2.7004694 0.0000000 0.0000000 0.0000000 2.7512306 0.0000000 0.0000000 0.0000000 2.7539277 -------------------------- Born effective charges -------------------------- 1 Li 1.0094945 0.0807880 0.1071706 -0.0871182 1.0275364 0.0471026 -0.1195849 -0.0445237 1.0078676 2 Li 1.0094945 -0.0807880 0.1071706 0.0871182 1.0275364 -0.0471026 -0.1195849 0.0445237 1.0078676 3 Li 1.0094945 -0.0807880 -0.1071706 0.0871182 1.0275364 0.0471026 0.1195849 -0.0445237 1.0078676 4 Li 1.0094945 0.0807880 -0.1071706 -0.0871182 1.0275364 -0.0471026 0.1195849 0.0445237 1.0078676 5 O -1.3060010 0.0000000 0.0000000 0.0000000 -2.0321812 0.1428840 0.0000000 0.1289130 -1.2553999 6 O -1.3116296 0.0000000 0.0000000 0.0000000 -1.2033006 0.1198371 0.0000000 0.1196944 -2.0675876 7 O -1.3060010 0.0000000 0.0000000 0.0000000 -2.0321812 -0.1428840 0.0000000 -0.1289130 -1.2553999 8 O -1.3116296 0.0000000 0.0000000 0.0000000 -1.2033006 -0.1198371 0.0000000 -0.1196944 -2.0675876 9 O -1.7642328 -0.3487897 -0.3024237 -0.2606960 -1.4370090 -0.0899745 -0.3069119 -0.1057434 -1.4583750 10 O -1.7642328 -0.3487897 0.3024237 -0.2606960 -1.4370090 0.0899745 0.3069119 0.1057434 -1.4583750 11 O -1.7642328 0.3487897 -0.3024237 0.2606960 -1.4370090 0.0899745 -0.3069119 0.1057434 -1.4583750 12 O -1.7642328 0.3487897 0.3024237 0.2606960 -1.4370090 -0.0899745 0.3069119 -0.1057434 -1.4583750 13 Na 1.1085885 0.0000000 0.0000000 0.0000000 1.0789004 0.0210228 0.0000000 0.0536604 1.0997592 14 Na 1.1085885 0.0000000 0.0000000 0.0000000 1.0789004 -0.0210228 0.0000000 -0.0536604 1.0997592 15 As 3.0185187 0.0000000 0.0000000 0.0000000 2.9755265 0.0114897 0.0000000 -0.0179328 3.1242430 16 As 3.0185187 0.0000000 0.0000000 0.0000000 2.9755265 -0.0114897 0.0000000 0.0179328 3.1242430 ---------------------------------------------------------------------------- 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[ 33, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 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[ 65, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 97, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 113, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 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: 0.00000017 (yzy) 0.00000017 (yzy) 0.00000017 (yyz) fc3 was written into "fc3.hdf5". Max drift of fc2: 0.00000003 (xz) 0.00000003 (xz) fc2 was written into "fc2.hdf5". --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperatures: 0.0 300.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 ----------- None of ph-ph interaction calculation was performed. ----------- Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-07 23:12:02]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-07 23:12:02]------------------------- Compiled with OpenMP support (max 48 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: conductivity-RTA HDF5 data compression filter: gzip Crystal structure was read from "phono3py.yaml". Supercell (dim): [2 2 2] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: Pmn2_1 (31) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 7.001652590000000 0.000000000000000 0.000000000000000 b 0.000000000000000 5.184602490000001 0.000000000000000 c 0.000000000000000 0.000000000000000 5.036300710000000 Atomic positions (fractional): 1 Li 0.25058027268334 0.32026975589640 0.50852783020031 6.941 2 Li 0.75058027268334 0.67973024410360 0.00852783020031 6.941 3 Li 0.74941972731666 0.32026975589640 0.50852783020031 6.941 4 Li 0.24941972731666 0.67973024410360 0.00852783020031 6.941 5 O 0.00000000000000 0.86656545159944 0.06195021935590 15.999 6 O 0.00000000000000 0.23168254110035 0.66295017866731 15.999 7 O 0.50000000000000 0.13343454840056 0.56195021935590 15.999 8 O 0.50000000000000 0.76831745889965 0.16295017866731 15.999 9 O 0.19828051130761 0.32868787902482 0.12860651722419 15.999 10 O 0.30171948869239 0.67131212097518 0.62860651722419 15.999 11 O 0.69828051130761 0.67131212097518 0.62860651722419 15.999 12 O 0.80171948869239 0.32868787902482 0.12860651722419 15.999 13 Na 0.00000000000000 0.78704089536540 0.52208722124547 22.990 14 Na 0.50000000000000 0.21295910463460 0.02208722124547 22.990 15 As 0.50000000000000 0.80991801352024 0.49884368588233 74.922 16 As 0.00000000000000 0.19008198647976 0.99884368588233 74.922 -------------------------------- supercell --------------------------------- Lattice vectors: a 14.003305180000000 0.000000000000000 0.000000000000000 b 0.000000000000000 10.369204980000003 0.000000000000000 c 0.000000000000000 0.000000000000000 10.072601420000000 Atomic positions (fractional): 1 Li 0.12529013634167 0.16013487794820 0.25426391510015 6.941 > 1 2 Li 0.62529013634167 0.16013487794820 0.25426391510015 6.941 > 1 3 Li 0.12529013634167 0.66013487794820 0.25426391510015 6.941 > 1 4 Li 0.62529013634167 0.66013487794820 0.25426391510015 6.941 > 1 5 Li 0.12529013634167 0.16013487794820 0.75426391510015 6.941 > 1 6 Li 0.62529013634167 0.16013487794820 0.75426391510015 6.941 > 1 7 Li 0.12529013634167 0.66013487794820 0.75426391510015 6.941 > 1 8 Li 0.62529013634167 0.66013487794820 0.75426391510015 6.941 > 1 9 Li 0.37529013634167 0.33986512205180 0.00426391510015 6.941 > 9 10 Li 0.87529013634167 0.33986512205180 0.00426391510015 6.941 > 9 11 Li 0.37529013634167 0.83986512205180 0.00426391510015 6.941 > 9 12 Li 0.87529013634167 0.83986512205180 0.00426391510015 6.941 > 9 13 Li 0.37529013634167 0.33986512205180 0.50426391510015 6.941 > 9 14 Li 0.87529013634167 0.33986512205180 0.50426391510015 6.941 > 9 15 Li 0.37529013634167 0.83986512205180 0.50426391510015 6.941 > 9 16 Li 0.87529013634167 0.83986512205180 0.50426391510015 6.941 > 9 17 Li 0.37470986365833 0.16013487794820 0.25426391510015 6.941 > 17 18 Li 0.87470986365833 0.16013487794820 0.25426391510015 6.941 > 17 19 Li 0.37470986365833 0.66013487794820 0.25426391510015 6.941 > 17 20 Li 0.87470986365833 0.66013487794820 0.25426391510015 6.941 > 17 21 Li 0.37470986365833 0.16013487794820 0.75426391510015 6.941 > 17 22 Li 0.87470986365833 0.16013487794820 0.75426391510015 6.941 > 17 23 Li 0.37470986365833 0.66013487794820 0.75426391510015 6.941 > 17 24 Li 0.87470986365833 0.66013487794820 0.75426391510015 6.941 > 17 25 Li 0.12470986365833 0.33986512205180 0.00426391510015 6.941 > 25 26 Li 0.62470986365833 0.33986512205180 0.00426391510015 6.941 > 25 27 Li 0.12470986365833 0.83986512205180 0.00426391510015 6.941 > 25 28 Li 0.62470986365833 0.83986512205180 0.00426391510015 6.941 > 25 29 Li 0.12470986365833 0.33986512205180 0.50426391510015 6.941 > 25 30 Li 0.62470986365833 0.33986512205180 0.50426391510015 6.941 > 25 31 Li 0.12470986365833 0.83986512205180 0.50426391510015 6.941 > 25 32 Li 0.62470986365833 0.83986512205180 0.50426391510015 6.941 > 25 33 O 0.00000000000000 0.43328272579972 0.03097510967795 15.999 > 33 34 O 0.50000000000000 0.43328272579972 0.03097510967795 15.999 > 33 35 O 0.00000000000000 0.93328272579972 0.03097510967795 15.999 > 33 36 O 0.50000000000000 0.93328272579972 0.03097510967795 15.999 > 33 37 O 0.00000000000000 0.43328272579972 0.53097510967795 15.999 > 33 38 O 0.50000000000000 0.43328272579972 0.53097510967795 15.999 > 33 39 O 0.00000000000000 0.93328272579972 0.53097510967795 15.999 > 33 40 O 0.50000000000000 0.93328272579972 0.53097510967795 15.999 > 33 41 O 0.00000000000000 0.11584127055018 0.33147508933365 15.999 > 41 42 O 0.50000000000000 0.11584127055018 0.33147508933365 15.999 > 41 43 O 0.00000000000000 0.61584127055018 0.33147508933365 15.999 > 41 44 O 0.50000000000000 0.61584127055018 0.33147508933365 15.999 > 41 45 O 0.00000000000000 0.11584127055018 0.83147508933365 15.999 > 41 46 O 0.50000000000000 0.11584127055018 0.83147508933365 15.999 > 41 47 O 0.00000000000000 0.61584127055018 0.83147508933365 15.999 > 41 48 O 0.50000000000000 0.61584127055018 0.83147508933365 15.999 > 41 49 O 0.25000000000000 0.06671727420028 0.28097510967795 15.999 > 49 50 O 0.75000000000000 0.06671727420028 0.28097510967795 15.999 > 49 51 O 0.25000000000000 0.56671727420028 0.28097510967795 15.999 > 49 52 O 0.75000000000000 0.56671727420028 0.28097510967795 15.999 > 49 53 O 0.25000000000000 0.06671727420028 0.78097510967795 15.999 > 49 54 O 0.75000000000000 0.06671727420028 0.78097510967795 15.999 > 49 55 O 0.25000000000000 0.56671727420028 0.78097510967795 15.999 > 49 56 O 0.75000000000000 0.56671727420028 0.78097510967795 15.999 > 49 57 O 0.25000000000000 0.38415872944982 0.08147508933365 15.999 > 57 58 O 0.75000000000000 0.38415872944982 0.08147508933365 15.999 > 57 59 O 0.25000000000000 0.88415872944982 0.08147508933365 15.999 > 57 60 O 0.75000000000000 0.88415872944982 0.08147508933365 15.999 > 57 61 O 0.25000000000000 0.38415872944982 0.58147508933365 15.999 > 57 62 O 0.75000000000000 0.38415872944982 0.58147508933365 15.999 > 57 63 O 0.25000000000000 0.88415872944982 0.58147508933365 15.999 > 57 64 O 0.75000000000000 0.88415872944982 0.58147508933365 15.999 > 57 65 O 0.09914025565381 0.16434393951241 0.06430325861210 15.999 > 65 66 O 0.59914025565381 0.16434393951241 0.06430325861210 15.999 > 65 67 O 0.09914025565381 0.66434393951241 0.06430325861210 15.999 > 65 68 O 0.59914025565381 0.66434393951241 0.06430325861210 15.999 > 65 69 O 0.09914025565381 0.16434393951241 0.56430325861210 15.999 > 65 70 O 0.59914025565381 0.16434393951241 0.56430325861210 15.999 > 65 71 O 0.09914025565381 0.66434393951241 0.56430325861210 15.999 > 65 72 O 0.59914025565381 0.66434393951241 0.56430325861210 15.999 > 65 73 O 0.15085974434619 0.33565606048759 0.31430325861210 15.999 > 73 74 O 0.65085974434619 0.33565606048759 0.31430325861210 15.999 > 73 75 O 0.15085974434619 0.83565606048759 0.31430325861210 15.999 > 73 76 O 0.65085974434619 0.83565606048759 0.31430325861210 15.999 > 73 77 O 0.15085974434619 0.33565606048759 0.81430325861210 15.999 > 73 78 O 0.65085974434619 0.33565606048759 0.81430325861210 15.999 > 73 79 O 0.15085974434619 0.83565606048759 0.81430325861210 15.999 > 73 80 O 0.65085974434619 0.83565606048759 0.81430325861210 15.999 > 73 81 O 0.34914025565381 0.33565606048759 0.31430325861210 15.999 > 81 82 O 0.84914025565381 0.33565606048759 0.31430325861210 15.999 > 81 83 O 0.34914025565381 0.83565606048759 0.31430325861210 15.999 > 81 84 O 0.84914025565381 0.83565606048759 0.31430325861210 15.999 > 81 85 O 0.34914025565381 0.33565606048759 0.81430325861210 15.999 > 81 86 O 0.84914025565381 0.33565606048759 0.81430325861210 15.999 > 81 87 O 0.34914025565381 0.83565606048759 0.81430325861210 15.999 > 81 88 O 0.84914025565381 0.83565606048759 0.81430325861210 15.999 > 81 89 O 0.40085974434619 0.16434393951241 0.06430325861210 15.999 > 89 90 O 0.90085974434619 0.16434393951241 0.06430325861210 15.999 > 89 91 O 0.40085974434619 0.66434393951241 0.06430325861210 15.999 > 89 92 O 0.90085974434619 0.66434393951241 0.06430325861210 15.999 > 89 93 O 0.40085974434619 0.16434393951241 0.56430325861210 15.999 > 89 94 O 0.90085974434619 0.16434393951241 0.56430325861210 15.999 > 89 95 O 0.40085974434619 0.66434393951241 0.56430325861210 15.999 > 89 96 O 0.90085974434619 0.66434393951241 0.56430325861210 15.999 > 89 97 Na 0.00000000000000 0.39352044768270 0.26104361062273 22.990 > 97 98 Na 0.50000000000000 0.39352044768270 0.26104361062273 22.990 > 97 99 Na 0.00000000000000 0.89352044768270 0.26104361062273 22.990 > 97 100 Na 0.50000000000000 0.89352044768270 0.26104361062273 22.990 > 97 101 Na 0.00000000000000 0.39352044768270 0.76104361062273 22.990 > 97 102 Na 0.50000000000000 0.39352044768270 0.76104361062273 22.990 > 97 103 Na 0.00000000000000 0.89352044768270 0.76104361062273 22.990 > 97 104 Na 0.50000000000000 0.89352044768270 0.76104361062273 22.990 > 97 105 Na 0.25000000000000 0.10647955231730 0.01104361062273 22.990 > 105 106 Na 0.75000000000000 0.10647955231730 0.01104361062273 22.990 > 105 107 Na 0.25000000000000 0.60647955231730 0.01104361062273 22.990 > 105 108 Na 0.75000000000000 0.60647955231730 0.01104361062273 22.990 > 105 109 Na 0.25000000000000 0.10647955231730 0.51104361062273 22.990 > 105 110 Na 0.75000000000000 0.10647955231730 0.51104361062273 22.990 > 105 111 Na 0.25000000000000 0.60647955231730 0.51104361062273 22.990 > 105 112 Na 0.75000000000000 0.60647955231730 0.51104361062273 22.990 > 105 113 As 0.25000000000000 0.40495900676012 0.24942184294117 74.922 > 113 114 As 0.75000000000000 0.40495900676012 0.24942184294117 74.922 > 113 115 As 0.25000000000000 0.90495900676012 0.24942184294117 74.922 > 113 116 As 0.75000000000000 0.90495900676012 0.24942184294117 74.922 > 113 117 As 0.25000000000000 0.40495900676012 0.74942184294117 74.922 > 113 118 As 0.75000000000000 0.40495900676012 0.74942184294117 74.922 > 113 119 As 0.25000000000000 0.90495900676012 0.74942184294117 74.922 > 113 120 As 0.75000000000000 0.90495900676012 0.74942184294117 74.922 > 113 121 As 0.00000000000000 0.09504099323988 0.49942184294117 74.922 > 121 122 As 0.50000000000000 0.09504099323988 0.49942184294117 74.922 > 121 123 As 0.00000000000000 0.59504099323988 0.49942184294117 74.922 > 121 124 As 0.50000000000000 0.59504099323988 0.49942184294117 74.922 > 121 125 As 0.00000000000000 0.09504099323988 0.99942184294117 74.922 > 121 126 As 0.50000000000000 0.09504099323988 0.99942184294117 74.922 > 121 127 As 0.00000000000000 0.59504099323988 0.99942184294117 74.922 > 121 128 As 0.50000000000000 0.59504099323988 0.99942184294117 74.922 > 121 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 2.7004694 0.0000000 0.0000000 0.0000000 2.7512306 0.0000000 0.0000000 0.0000000 2.7539277 -------------------------- Born effective charges -------------------------- 1 Li 1.0094945 0.0807880 0.1071706 -0.0871182 1.0275364 0.0471026 -0.1195849 -0.0445237 1.0078676 2 Li 1.0094945 -0.0807880 0.1071706 0.0871182 1.0275364 -0.0471026 -0.1195849 0.0445237 1.0078676 3 Li 1.0094945 -0.0807880 -0.1071706 0.0871182 1.0275364 0.0471026 0.1195849 -0.0445237 1.0078676 4 Li 1.0094945 0.0807880 -0.1071706 -0.0871182 1.0275364 -0.0471026 0.1195849 0.0445237 1.0078676 5 O -1.3060010 0.0000000 0.0000000 0.0000000 -2.0321812 0.1428840 0.0000000 0.1289130 -1.2553999 6 O -1.3116296 0.0000000 0.0000000 0.0000000 -1.2033006 0.1198371 0.0000000 0.1196944 -2.0675876 7 O -1.3060010 0.0000000 0.0000000 0.0000000 -2.0321812 -0.1428840 0.0000000 -0.1289130 -1.2553999 8 O -1.3116296 0.0000000 0.0000000 0.0000000 -1.2033006 -0.1198371 0.0000000 -0.1196944 -2.0675876 9 O -1.7642328 -0.3487897 -0.3024237 -0.2606960 -1.4370090 -0.0899745 -0.3069119 -0.1057434 -1.4583750 10 O -1.7642328 -0.3487897 0.3024237 -0.2606960 -1.4370090 0.0899745 0.3069119 0.1057434 -1.4583750 11 O -1.7642328 0.3487897 -0.3024237 0.2606960 -1.4370090 0.0899745 -0.3069119 0.1057434 -1.4583750 12 O -1.7642328 0.3487897 0.3024237 0.2606960 -1.4370090 -0.0899745 0.3069119 -0.1057434 -1.4583750 13 Na 1.1085885 0.0000000 0.0000000 0.0000000 1.0789004 0.0210228 0.0000000 0.0536604 1.0997592 14 Na 1.1085885 0.0000000 0.0000000 0.0000000 1.0789004 -0.0210228 0.0000000 -0.0536604 1.0997592 15 As 3.0185187 0.0000000 0.0000000 0.0000000 2.9755265 0.0114897 0.0000000 -0.0179328 3.1242430 16 As 3.0185187 0.0000000 0.0000000 0.0000000 2.9755265 -0.0114897 0.0000000 0.0179328 3.1242430 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: 0.00000017 (yzy) 0.00000017 (yzy) 0.00000017 (yyz) Max drift of fc2: -0.00000000 (zy) -0.00000000 (zy) --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperature: 0.0 10.0 20.0 30.0 40.0 ... 1000.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 Length for sampling mesh generation: 50.00 Generating grid system ... [ 7 10 10 ] 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: 0.73, Number of G-points: 307, Lambda: 0.13 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/144) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 144 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 3.348 ( 0.000 0.000 -0.000) 0.000 3.673 ( 0.000 0.000 0.000) 0.000 4.081 ( 0.000 0.000 0.000) 0.000 4.178 ( 0.000 0.000 0.000) 0.000 4.736 ( 0.000 0.000 -0.000) 0.000 5.053 ( 0.000 0.000 0.000) 0.000 5.509 ( 0.000 0.000 -0.000) 0.000 5.755 ( 0.000 0.000 0.000) 0.000 5.934 ( 0.000 0.000 -0.000) 0.000 5.993 ( 0.000 0.000 0.000) 0.000 6.282 ( 0.000 0.000 0.000) 0.000 6.300 ( 0.000 0.000 0.000) 0.000 8.417 ( 0.000 0.000 -0.000) 0.000 8.959 ( 0.000 0.000 0.000) 0.000 9.024 ( 0.000 0.000 -0.000) 0.000 9.460 ( 0.000 0.000 -0.000) 0.000 9.996 ( 0.000 0.000 0.000) 0.000 10.156 ( 0.000 0.000 0.000) 0.000 10.339 ( 0.000 0.000 0.000) 0.000 10.759 ( 0.000 0.000 0.000) 0.000 11.025 ( 0.000 0.000 0.000) 0.000 11.443 ( 0.000 0.000 -0.000) 0.000 11.518 ( 0.000 0.000 -0.000) 0.000 11.544 ( 0.000 0.000 0.000) 0.000 12.040 ( 0.000 0.000 -0.000) 0.000 12.624 ( 0.000 0.000 0.000) 0.000 12.894 ( 0.000 0.000 -0.000) 0.000 12.911 ( 0.000 0.000 0.000) 0.000 13.055 ( 0.000 0.000 -0.000) 0.000 13.587 ( 0.000 0.000 0.000) 0.000 13.592 ( 0.000 0.000 0.000) 0.000 13.744 ( 0.000 0.000 0.000) 0.000 13.991 ( 0.000 0.000 0.000) 0.000 13.999 ( 0.000 0.000 0.000) 0.000 14.201 ( 0.000 0.000 0.000) 0.000 14.491 ( 0.000 0.000 -0.000) 0.000 14.619 ( 0.000 0.000 0.000) 0.000 22.449 ( 0.000 0.000 -0.000) 0.000 22.521 ( 0.000 0.000 -0.000) 0.000 22.726 ( 0.000 0.000 -0.000) 0.000 22.825 ( 0.000 0.000 -0.000) 0.000 23.341 ( 0.000 0.000 0.000) 0.000 23.656 ( 0.000 0.000 0.000) 0.000 24.249 ( 0.000 0.000 -0.000) 0.000 24.317 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/144) ======================= q-point: ( 0.14 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.760 ( 36.999 0.000 0.000) 36.999 0.769 ( 37.561 0.000 0.000) 37.561 1.278 ( 61.130 0.000 0.000) 61.130 3.517 ( 11.478 0.000 0.000) 11.478 3.716 ( 3.226 0.000 0.000) 3.226 3.952 ( -9.481 0.000 0.000) 9.481 4.019 ( -13.718 0.000 0.000) 13.718 4.766 ( 3.170 0.000 0.000) 3.170 5.080 ( 3.012 0.000 0.000) 3.012 5.653 ( -7.060 0.000 0.000) 7.060 5.679 ( 10.638 0.000 0.000) 10.638 5.866 ( -0.243 0.000 0.000) 0.243 6.274 ( 7.865 0.000 0.000) 7.865 6.295 ( 11.197 0.000 0.000) 11.197 6.342 ( 3.139 0.000 0.000) 3.139 8.372 ( -7.289 0.000 0.000) 7.289 8.910 ( -25.676 0.000 0.000) 25.676 8.984 ( -8.049 0.000 0.000) 8.049 9.368 ( -3.668 0.000 0.000) 3.668 10.062 ( 4.166 0.000 0.000) 4.166 10.122 ( -7.166 0.000 0.000) 7.166 10.338 ( -0.515 0.000 0.000) 0.515 10.704 ( -6.341 0.000 0.000) 6.341 11.156 ( 11.747 0.000 0.000) 11.747 11.263 ( -13.000 0.000 0.000) 13.000 11.539 ( 8.272 0.000 0.000) 8.272 11.776 ( 9.419 0.000 0.000) 9.419 12.152 ( 11.169 0.000 0.000) 11.169 12.814 ( -8.958 0.000 0.000) 8.958 12.864 ( 0.070 0.000 0.000) 0.070 12.982 ( 5.254 0.000 0.000) 5.254 13.075 ( 1.220 0.000 0.000) 1.220 13.590 ( -0.349 0.000 0.000) 0.349 13.674 ( 0.807 0.000 0.000) 0.807 13.706 ( -3.767 0.000 0.000) 3.767 13.896 ( -17.433 0.000 0.000) 17.433 13.996 ( 0.111 0.000 0.000) 0.111 14.510 ( -3.023 0.000 0.000) 3.023 14.915 ( 21.981 0.000 0.000) 21.981 16.318 ( -3.410 0.000 0.000) 3.410 22.462 ( 1.191 0.000 0.000) 1.191 22.531 ( 0.991 0.000 0.000) 0.991 22.711 ( -1.456 0.000 0.000) 1.456 22.804 ( -1.912 0.000 0.000) 1.912 23.666 ( 1.024 0.000 0.000) 1.024 24.072 ( -8.738 0.000 0.000) 8.738 24.538 ( 12.943 0.000 0.000) 12.943 25.556 ( -3.324 0.000 0.000) 3.324 ======================= Grid point 2 (3/144) ======================= q-point: ( 0.29 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.504 ( 35.828 0.000 0.000) 35.828 1.529 ( 36.746 0.000 0.000) 36.746 2.460 ( 53.664 0.000 0.000) 53.664 3.402 ( -21.296 0.000 0.000) 21.296 3.523 ( -23.972 0.000 0.000) 23.972 3.939 ( 8.580 0.000 0.000) 8.580 3.960 ( 5.171 0.000 0.000) 5.171 4.855 ( 3.359 0.000 0.000) 3.359 5.119 ( -3.456 0.000 0.000) 3.456 5.496 ( -8.418 0.000 0.000) 8.418 5.757 ( 13.599 0.000 0.000) 13.599 6.195 ( 18.263 0.000 0.000) 18.263 6.289 ( 0.614 0.000 0.000) 0.614 6.439 ( 10.822 0.000 0.000) 10.822 6.745 ( 24.751 0.000 0.000) 24.751 8.055 ( -27.180 0.000 0.000) 27.180 8.294 ( -29.898 0.000 0.000) 29.898 8.611 ( -25.287 0.000 0.000) 25.287 9.454 ( 10.053 0.000 0.000) 10.053 10.017 ( -1.995 0.000 0.000) 1.995 10.147 ( 3.168 0.000 0.000) 3.168 10.309 ( -2.243 0.000 0.000) 2.243 10.536 ( -8.157 0.000 0.000) 8.157 10.992 ( -13.753 0.000 0.000) 13.753 11.444 ( 15.579 0.000 0.000) 15.579 11.727 ( 9.117 0.000 0.000) 9.117 11.902 ( 3.395 0.000 0.000) 3.395 12.414 ( 4.771 0.000 0.000) 4.771 12.606 ( -2.769 0.000 0.000) 2.769 12.893 ( 2.515 0.000 0.000) 2.515 13.086 ( -0.401 0.000 0.000) 0.401 13.092 ( 4.888 0.000 0.000) 4.888 13.535 ( -6.566 0.000 0.000) 6.566 13.574 ( -8.565 0.000 0.000) 8.565 13.661 ( -3.541 0.000 0.000) 3.541 13.690 ( -0.008 0.000 0.000) 0.008 14.027 ( 3.360 0.000 0.000) 3.360 14.412 ( -6.113 0.000 0.000) 6.113 15.357 ( 20.434 0.000 0.000) 20.434 16.211 ( -7.250 0.000 0.000) 7.250 22.497 ( 2.200 0.000 0.000) 2.200 22.562 ( 2.038 0.000 0.000) 2.038 22.669 ( -2.563 0.000 0.000) 2.563 22.751 ( -3.186 0.000 0.000) 3.186 23.697 ( 1.950 0.000 0.000) 1.950 23.921 ( -6.166 0.000 0.000) 6.166 24.808 ( 13.224 0.000 0.000) 13.224 25.455 ( -6.598 0.000 0.000) 6.598 ======================= Grid point 3 (4/144) ======================= q-point: ( 0.43 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.214 ( 33.495 0.000 0.000) 33.495 2.261 ( 34.755 0.000 0.000) 34.755 2.867 ( -29.545 0.000 0.000) 29.545 2.944 ( -31.194 0.000 0.000) 31.194 3.410 ( 36.970 0.000 0.000) 36.970 3.902 ( -12.013 0.000 0.000) 12.013 4.202 ( 17.282 0.000 0.000) 17.282 4.643 ( -22.667 0.000 0.000) 22.667 5.132 ( 7.361 0.000 0.000) 7.361 5.312 ( -9.361 0.000 0.000) 9.361 6.306 ( 0.959 0.000 0.000) 0.959 6.316 ( 2.531 0.000 0.000) 2.531 6.376 ( 38.679 0.000 0.000) 38.679 6.924 ( 28.446 0.000 0.000) 28.446 7.170 ( -2.398 0.000 0.000) 2.398 7.312 ( -28.913 0.000 0.000) 28.913 7.806 ( -13.609 0.000 0.000) 13.609 8.061 ( -26.449 0.000 0.000) 26.449 9.703 ( 13.196 0.000 0.000) 13.196 9.940 ( -8.268 0.000 0.000) 8.268 10.200 ( 2.368 0.000 0.000) 2.368 10.255 ( -2.865 0.000 0.000) 2.865 10.490 ( 5.607 0.000 0.000) 5.607 10.708 ( -13.546 0.000 0.000) 13.546 11.768 ( 15.160 0.000 0.000) 15.160 11.890 ( 7.415 0.000 0.000) 7.415 11.923 ( -1.538 0.000 0.000) 1.538 12.160 ( -17.140 0.000 0.000) 17.140 12.866 ( 14.905 0.000 0.000) 14.905 12.955 ( 2.999 0.000 0.000) 2.999 13.058 ( -1.615 0.000 0.000) 1.615 13.133 ( -3.303 0.000 0.000) 3.303 13.402 ( -5.338 0.000 0.000) 5.338 13.411 ( -4.265 0.000 0.000) 4.265 13.652 ( 0.884 0.000 0.000) 0.884 13.676 ( -1.176 0.000 0.000) 1.176 14.130 ( 6.392 0.000 0.000) 6.392 14.273 ( -7.249 0.000 0.000) 7.249 15.733 ( 16.307 0.000 0.000) 16.307 16.019 ( -11.652 0.000 0.000) 11.652 22.549 ( 2.881 0.000 0.000) 2.881 22.611 ( -3.058 0.000 0.000) 3.058 22.614 ( 2.988 0.000 0.000) 2.988 22.681 ( -3.493 0.000 0.000) 3.493 23.746 ( 2.880 0.000 0.000) 2.880 23.817 ( -4.164 0.000 0.000) 4.164 25.067 ( 11.985 0.000 0.000) 11.985 25.289 ( -9.618 0.000 0.000) 9.618 ======================= Grid point 7 (5/144) ======================= q-point: ( 0.00 0.10 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.466 ( 0.000 24.395 0.000) 24.395 0.737 ( 0.000 37.836 0.000) 37.836 0.936 ( 0.000 46.344 0.000) 46.344 3.365 ( 0.000 1.602 0.000) 1.602 3.749 ( 0.000 7.187 0.000) 7.187 4.074 ( 0.000 -5.264 0.000) 5.264 4.095 ( 0.000 -4.157 0.000) 4.157 4.817 ( 0.000 -6.507 0.000) 6.507 5.310 ( 0.000 -20.889 0.000) 20.889 5.534 ( 0.000 -7.931 0.000) 7.931 5.749 ( 0.000 -0.802 0.000) 0.802 5.805 ( 0.000 -3.671 0.000) 3.671 6.108 ( 0.000 3.335 0.000) 3.335 6.244 ( 0.000 1.301 0.000) 1.301 6.540 ( 0.000 13.928 0.000) 13.928 8.390 ( 0.000 -4.131 0.000) 4.131 8.923 ( 0.000 -1.880 0.000) 1.880 9.080 ( 0.000 4.547 0.000) 4.547 9.395 ( 0.000 -5.054 0.000) 5.054 9.986 ( 0.000 -1.126 0.000) 1.126 10.214 ( 0.000 -13.118 0.000) 13.118 10.243 ( 0.000 7.714 0.000) 7.714 10.854 ( 0.000 6.332 0.000) 6.332 10.895 ( 0.000 -11.419 0.000) 11.419 11.441 ( 0.000 -0.070 0.000) 0.070 11.605 ( 0.000 7.080 0.000) 7.080 11.801 ( 0.000 -2.207 0.000) 2.207 12.086 ( 0.000 1.514 0.000) 1.514 12.596 ( 0.000 -3.143 0.000) 3.143 12.745 ( 0.000 -13.139 0.000) 13.139 13.002 ( 0.000 9.912 0.000) 9.912 13.545 ( 0.000 -0.180 0.000) 0.180 13.657 ( 0.000 -8.328 0.000) 8.328 13.742 ( 0.000 7.270 0.000) 7.270 13.971 ( 0.000 -2.038 0.000) 2.038 14.050 ( 0.000 6.559 0.000) 6.559 14.169 ( 0.000 -1.871 0.000) 1.871 14.277 ( 0.000 -1.855 0.000) 1.855 14.568 ( 0.000 7.869 0.000) 7.869 16.255 ( 0.000 5.324 0.000) 5.324 22.479 ( 0.000 2.484 0.000) 2.484 22.533 ( 0.000 1.660 0.000) 1.660 22.810 ( 0.000 -0.689 0.000) 0.689 23.349 ( 0.000 0.785 0.000) 0.785 23.555 ( 0.000 -1.567 0.000) 1.567 23.705 ( 0.000 4.245 0.000) 4.245 24.301 ( 0.000 -1.702 0.000) 1.702 25.324 ( 0.000 -3.348 0.000) 3.348 ======================= Grid point 8 (6/144) ======================= q-point: ( 0.14 0.10 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 210 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.674 ( 25.047 7.629 0.000) 26.183 0.897 ( 30.650 13.277 0.000) 33.402 1.769 ( 49.858 35.534 0.000) 61.225 3.523 ( 6.872 0.414 0.000) 6.884 3.752 ( -1.356 1.039 0.000) 1.708 3.940 ( -7.674 -4.939 0.000) 9.126 3.987 ( -6.802 2.462 0.000) 7.234 4.839 ( 2.054 -2.830 0.000) 3.497 5.135 ( -13.841 0.013 0.000) 13.841 5.460 ( 5.113 -12.413 0.000) 13.425 5.713 ( -3.334 -3.588 0.000) 4.898 5.866 ( 7.332 1.932 0.000) 7.582 6.182 ( 5.876 -0.062 0.000) 5.877 6.316 ( 8.629 1.221 0.000) 8.715 6.552 ( 2.496 12.737 0.000) 12.979 8.320 ( -7.783 -5.272 0.000) 9.400 8.809 ( -18.302 -5.972 0.000) 19.252 8.996 ( -12.276 0.115 0.000) 12.276 9.317 ( -0.453 -2.733 0.000) 2.770 10.046 ( 4.349 -1.284 0.000) 4.535 10.171 ( -5.178 5.892 0.000) 7.844 10.239 ( 0.169 -9.073 0.000) 9.075 10.777 ( -5.317 1.818 0.000) 5.619 10.972 ( 3.106 -8.742 0.000) 9.277 11.442 ( -2.477 7.837 0.000) 8.219 11.543 ( 3.557 3.486 0.000) 4.980 11.863 ( 5.493 1.782 0.000) 5.775 12.103 ( 3.564 -3.118 0.000) 4.736 12.624 ( -1.847 -8.093 0.000) 8.301 12.766 ( 4.145 -10.792 0.000) 11.560 13.068 ( 4.074 10.415 0.000) 11.183 13.283 ( -15.039 4.502 0.000) 15.698 13.578 ( 1.177 0.861 0.000) 1.458 13.756 ( -2.241 5.355 0.000) 5.805 13.828 ( -5.381 7.839 0.000) 9.508 13.915 ( -17.243 3.415 0.000) 17.578 13.992 ( 1.097 0.685 0.000) 1.293 14.438 ( 3.621 -5.896 0.000) 6.919 14.939 ( 21.708 2.778 0.000) 21.885 16.284 ( -0.687 0.256 0.000) 0.734 22.491 ( 1.167 2.434 0.000) 2.700 22.541 ( 0.772 1.505 0.000) 1.691 22.788 ( -2.113 -0.107 0.000) 2.116 22.927 ( -11.530 13.326 0.000) 17.622 23.691 ( 1.016 2.351 0.000) 2.562 23.942 ( 2.364 -10.022 0.000) 10.297 24.439 ( 13.937 -5.901 0.000) 15.135 25.414 ( 2.749 -8.851 0.000) 9.268 ======================= Grid point 9 (7/144) ======================= q-point: ( 0.29 0.10 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 210 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.360 ( 36.788 -10.451 0.000) 38.243 1.569 ( 33.760 6.566 0.000) 34.392 2.783 ( 47.475 26.555 0.000) 54.397 3.363 ( -19.969 -5.462 0.000) 20.702 3.412 ( -24.786 -7.793 0.000) 25.982 3.943 ( 4.277 6.304 0.000) 7.618 4.098 ( 8.701 6.010 0.000) 10.575 4.876 ( 0.065 1.541 0.000) 1.542 5.013 ( -2.244 -10.035 0.000) 10.283 5.451 ( -6.774 -4.092 0.000) 7.914 5.752 ( 14.907 -2.265 0.000) 15.078 6.172 ( 16.030 -4.780 0.000) 16.727 6.288 ( 5.705 3.202 0.000) 6.542 6.472 ( 7.637 2.620 0.000) 8.074 6.785 ( 20.233 4.126 0.000) 20.650 8.001 ( -26.322 -5.279 0.000) 26.846 8.284 ( -27.750 -0.889 0.000) 27.765 8.564 ( -25.898 -4.431 0.000) 26.275 9.447 ( 10.041 -0.170 0.000) 10.042 10.042 ( -5.478 1.838 0.000) 5.778 10.129 ( 1.958 -3.952 0.000) 4.410 10.239 ( 1.468 -0.477 0.000) 1.543 10.669 ( -5.057 6.682 0.000) 8.379 10.917 ( -8.598 -5.094 0.000) 9.993 11.483 ( 7.908 3.452 0.000) 8.628 11.705 ( 9.035 -1.158 0.000) 9.109 11.949 ( 2.248 2.995 0.000) 3.745 12.167 ( -1.548 -18.899 0.000) 18.963 12.607 ( 3.995 0.730 0.000) 4.062 12.854 ( 3.480 -10.459 0.000) 11.022 13.041 ( -3.380 5.420 0.000) 6.388 13.222 ( 3.240 4.710 0.000) 5.717 13.525 ( -11.510 0.932 0.000) 11.547 13.640 ( 0.209 0.344 0.000) 0.403 13.679 ( -5.848 6.138 0.000) 8.477 13.786 ( -2.152 7.292 0.000) 7.603 14.048 ( 4.029 2.819 0.000) 4.917 14.408 ( -4.691 -0.674 0.000) 4.740 15.369 ( 20.003 1.464 0.000) 20.057 16.206 ( -6.592 0.352 0.000) 6.601 22.526 ( 2.165 2.276 0.000) 3.141 22.565 ( 1.621 1.045 0.000) 1.929 22.733 ( -3.017 1.842 0.000) 3.535 22.784 ( -4.720 6.551 0.000) 8.074 23.718 ( 1.656 2.096 0.000) 2.671 23.892 ( -4.024 -2.648 0.000) 4.817 24.737 ( 14.184 -6.430 0.000) 15.574 25.383 ( -5.009 -6.542 0.000) 8.239 ======================= Grid point 10 (8/144) ======================= q-point: ( 0.43 0.10 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 210 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.103 ( 35.443 -12.899 0.000) 37.717 2.246 ( 32.069 3.254 0.000) 32.234 2.798 ( -31.521 -12.832 0.000) 34.033 2.874 ( -28.319 0.543 0.000) 28.324 3.640 ( 32.037 20.551 0.000) 38.062 4.007 ( -4.748 9.435 0.000) 10.562 4.227 ( 11.984 1.951 0.000) 12.142 4.634 ( -21.743 -0.939 0.000) 21.763 5.085 ( 8.172 -3.992 0.000) 9.095 5.273 ( -9.544 -3.682 0.000) 10.230 6.293 ( 9.512 -3.950 0.000) 10.300 6.331 ( 6.036 1.025 0.000) 6.122 6.390 ( 26.101 1.950 0.000) 26.173 6.865 ( 22.367 -4.288 0.000) 22.775 7.180 ( 9.504 -0.512 0.000) 9.518 7.275 ( -37.552 -2.495 0.000) 37.635 7.815 ( -12.839 0.857 0.000) 12.868 8.035 ( -24.242 -1.876 0.000) 24.314 9.666 ( 10.864 -3.225 0.000) 11.333 9.880 ( -9.821 -5.057 0.000) 11.046 10.223 ( 6.373 1.089 0.000) 6.465 10.287 ( 1.235 3.685 0.000) 3.886 10.591 ( -0.929 8.104 0.000) 8.157 10.699 ( -10.461 -0.071 0.000) 10.461 11.704 ( 12.300 -6.417 0.000) 13.873 11.852 ( 3.592 -3.213 0.000) 4.820 11.954 ( -1.654 1.332 0.000) 2.124 12.012 ( -9.641 -11.703 0.000) 15.162 12.786 ( 9.915 -4.093 0.000) 10.727 12.891 ( -0.445 -9.295 0.000) 9.306 13.030 ( 2.583 0.646 0.000) 2.662 13.168 ( -9.043 2.348 0.000) 9.343 13.426 ( 3.390 3.397 0.000) 4.799 13.540 ( -6.605 5.128 0.000) 8.361 13.688 ( 2.567 5.177 0.000) 5.779 13.740 ( -2.425 6.311 0.000) 6.761 14.153 ( 6.059 2.530 0.000) 6.566 14.286 ( -6.702 1.311 0.000) 6.829 15.740 ( 16.104 0.856 0.000) 16.126 16.022 ( -11.454 0.613 0.000) 11.471 22.575 ( 2.504 1.728 0.000) 3.042 22.599 ( 1.017 0.406 0.000) 1.095 22.678 ( -1.563 3.689 0.000) 4.007 22.703 ( -3.197 3.770 0.000) 4.943 23.759 ( 2.386 1.316 0.000) 2.725 23.816 ( -3.265 -0.010 0.000) 3.265 25.008 ( 12.321 -5.645 0.000) 13.553 25.232 ( -9.421 -5.483 0.000) 10.901 ======================= Grid point 14 (9/144) ======================= q-point: ( 0.00 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.931 ( 0.000 23.810 0.000) 23.810 1.451 ( 0.000 35.933 0.000) 35.933 1.745 ( 0.000 36.150 0.000) 36.150 3.393 ( 0.000 0.686 0.000) 0.686 3.791 ( 0.000 -12.237 0.000) 12.237 3.923 ( 0.000 -2.446 0.000) 2.446 4.116 ( 0.000 7.301 0.000) 7.301 4.676 ( 0.000 -6.507 0.000) 6.507 4.797 ( 0.000 -29.696 0.000) 29.696 5.409 ( 0.000 -3.843 0.000) 3.843 5.732 ( 0.000 -7.091 0.000) 7.091 5.733 ( 0.000 -0.789 0.000) 0.789 6.151 ( 0.000 3.816 0.000) 3.816 6.296 ( 0.000 3.010 0.000) 3.010 6.806 ( 0.000 12.934 0.000) 12.934 8.210 ( 0.000 -14.624 0.000) 14.624 8.913 ( 0.000 0.623 0.000) 0.623 9.166 ( 0.000 2.333 0.000) 2.333 9.343 ( 0.000 2.089 0.000) 2.089 9.929 ( 0.000 -13.677 0.000) 13.677 9.952 ( 0.000 -4.434 0.000) 4.434 10.405 ( 0.000 7.883 0.000) 7.883 10.650 ( 0.000 -12.536 0.000) 12.536 10.921 ( 0.000 0.055 0.000) 0.055 11.469 ( 0.000 3.874 0.000) 3.874 11.738 ( 0.000 6.032 0.000) 6.032 11.776 ( 0.000 -0.368 0.000) 0.368 12.129 ( 0.000 2.621 0.000) 2.621 12.436 ( 0.000 -12.229 0.000) 12.229 12.579 ( 0.000 -3.940 0.000) 3.940 13.202 ( 0.000 7.864 0.000) 7.864 13.492 ( 0.000 -5.595 0.000) 5.595 13.558 ( 0.000 1.315 0.000) 1.315 13.818 ( 0.000 1.254 0.000) 1.254 13.917 ( 0.000 -4.639 0.000) 4.639 14.096 ( 0.000 -4.395 0.000) 4.395 14.219 ( 0.000 9.495 0.000) 9.495 14.242 ( 0.000 -1.763 0.000) 1.763 14.775 ( 0.000 12.668 0.000) 12.668 16.383 ( 0.000 7.289 0.000) 7.289 22.513 ( 0.000 1.138 0.000) 1.138 22.604 ( 0.000 4.963 0.000) 4.963 22.795 ( 0.000 -0.701 0.000) 0.701 23.370 ( 0.000 1.389 0.000) 1.389 23.530 ( 0.000 -1.085 0.000) 1.085 23.804 ( 0.000 5.877 0.000) 5.877 24.255 ( 0.000 -2.892 0.000) 2.892 25.234 ( 0.000 -5.827 0.000) 5.827 ======================= Grid point 15 (10/144) ======================= q-point: ( 0.14 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 216 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.044 ( 0.565 23.689 0.000) 23.696 1.250 ( 15.000 23.340 0.000) 27.745 2.437 ( 42.602 31.355 0.000) 52.897 3.490 ( -3.379 -6.704 0.000) 7.508 3.668 ( -9.012 -5.720 0.000) 10.674 3.873 ( 4.278 -3.085 0.000) 5.274 4.116 ( 0.175 10.356 0.000) 10.358 4.692 ( 2.933 -11.036 0.000) 11.419 4.900 ( 4.159 -19.704 0.000) 20.138 5.315 ( -2.701 -2.571 0.000) 3.729 5.601 ( -6.126 -6.675 0.000) 9.060 5.903 ( 9.766 0.024 0.000) 9.766 6.264 ( 8.770 5.331 0.000) 10.263 6.302 ( 2.252 0.123 0.000) 2.256 6.804 ( 0.923 12.573 0.000) 12.607 8.147 ( -6.816 -12.843 0.000) 14.540 8.732 ( -17.762 -2.266 0.000) 17.906 8.956 ( -20.193 -3.899 0.000) 20.566 9.345 ( 3.648 5.596 0.000) 6.680 9.984 ( 2.279 -7.361 0.000) 7.706 10.060 ( 8.575 -5.993 0.000) 10.462 10.315 ( -6.785 6.811 0.000) 9.614 10.620 ( -2.293 -11.885 0.000) 12.104 10.960 ( 2.297 1.932 0.000) 3.002 11.514 ( 4.188 2.621 0.000) 4.941 11.678 ( -4.245 7.483 0.000) 8.603 11.795 ( 1.255 -6.114 0.000) 6.241 12.087 ( -3.249 0.753 0.000) 3.335 12.488 ( 4.554 -6.987 0.000) 8.340 12.618 ( 3.495 -4.136 0.000) 5.415 13.205 ( -3.840 -2.650 0.000) 4.665 13.294 ( -7.105 5.656 0.000) 9.082 13.621 ( 3.109 3.303 0.000) 4.536 13.817 ( -2.497 0.595 0.000) 2.567 13.848 ( -8.919 -4.515 0.000) 9.996 13.985 ( -8.480 4.474 0.000) 9.588 14.111 ( -0.711 6.940 0.000) 6.976 14.345 ( 5.580 -2.238 0.000) 6.012 15.033 ( 18.536 7.080 0.000) 19.842 16.352 ( -3.174 5.718 0.000) 6.540 22.523 ( 0.927 1.001 0.000) 1.364 22.606 ( 0.267 4.411 0.000) 4.419 22.780 ( -1.252 -0.134 0.000) 1.259 23.131 ( -11.721 7.750 0.000) 14.052 23.709 ( 5.243 -2.861 0.000) 5.973 23.832 ( 2.246 1.306 0.000) 2.598 24.348 ( 9.542 -4.005 0.000) 10.348 25.261 ( 1.241 -7.521 0.000) 7.623 ======================= Grid point 16 (11/144) ======================= q-point: ( 0.29 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 216 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.294 ( 23.909 4.757 0.000) 24.378 1.752 ( 28.488 12.148 0.000) 30.970 3.078 ( -17.467 -11.812 0.000) 21.086 3.271 ( 6.650 7.084 0.000) 9.717 3.471 ( 7.971 17.259 0.000) 19.011 4.120 ( 4.745 7.597 0.000) 8.957 4.147 ( 7.977 2.022 0.000) 8.229 4.778 ( -0.271 -12.858 0.000) 12.861 4.896 ( 3.141 -0.101 0.000) 3.142 5.358 ( -3.813 -5.105 0.000) 6.372 5.597 ( 15.380 -12.367 0.000) 19.736 6.135 ( 11.788 1.813 0.000) 11.926 6.398 ( 4.682 6.232 0.000) 7.795 6.424 ( 8.791 -7.299 0.000) 11.426 6.936 ( 13.177 10.902 0.000) 17.103 7.860 ( -23.657 -9.145 0.000) 25.363 8.271 ( -24.751 -0.173 0.000) 24.751 8.462 ( -24.876 -5.714 0.000) 25.524 9.464 ( 6.679 1.946 0.000) 6.957 9.975 ( -6.782 -7.642 0.000) 10.218 10.109 ( 1.625 2.479 0.000) 2.964 10.311 ( 5.293 5.646 0.000) 7.739 10.594 ( 0.333 -11.213 0.000) 11.218 10.954 ( -3.960 6.266 0.000) 7.412 11.559 ( -1.217 4.070 0.000) 4.248 11.651 ( 1.999 -9.152 0.000) 9.368 11.821 ( 2.096 -7.138 0.000) 7.439 12.037 ( -1.434 2.501 0.000) 2.883 12.598 ( 5.640 -5.159 0.000) 7.643 12.699 ( 3.892 -1.896 0.000) 4.329 13.033 ( -6.300 -4.758 0.000) 7.895 13.316 ( 2.680 3.962 0.000) 4.783 13.544 ( -14.102 -0.540 0.000) 14.113 13.661 ( -1.509 1.974 0.000) 2.485 13.782 ( -0.217 4.045 0.000) 4.051 13.906 ( -1.495 5.450 0.000) 5.652 14.155 ( 3.280 7.137 0.000) 7.854 14.383 ( -1.421 -1.772 0.000) 2.272 15.422 ( 18.678 4.125 0.000) 19.128 16.247 ( -7.257 3.803 0.000) 8.193 22.550 ( 1.643 0.596 0.000) 1.748 22.615 ( 0.525 2.750 0.000) 2.799 22.753 ( -1.109 1.771 0.000) 2.089 22.942 ( -7.299 7.918 0.000) 10.769 23.760 ( 1.415 0.877 0.000) 1.665 23.847 ( -0.739 -0.499 0.000) 0.892 24.602 ( 13.821 -6.674 0.000) 15.348 25.237 ( -3.998 -8.051 0.000) 8.989 ======================= Grid point 17 (12/144) ======================= q-point: ( 0.43 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 216 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.882 ( 31.306 -8.025 0.000) 32.318 2.335 ( 25.162 4.982 0.000) 25.651 2.535 ( -26.696 -11.496 0.000) 29.066 2.906 ( -24.981 2.821 0.000) 25.140 4.090 ( 23.978 23.977 0.000) 33.909 4.190 ( 6.115 6.676 0.000) 9.054 4.235 ( 3.080 -1.784 0.000) 3.560 4.615 ( -15.293 -0.273 0.000) 15.295 5.022 ( 7.101 -1.381 0.000) 7.234 5.193 ( -9.268 -3.761 0.000) 10.002 6.106 ( 22.679 -14.349 0.000) 26.837 6.318 ( -1.248 -3.443 0.000) 3.662 6.436 ( 17.300 1.994 0.000) 17.415 6.795 ( 18.424 -3.426 0.000) 18.740 7.118 ( -12.746 -4.409 0.000) 13.487 7.278 ( -18.613 2.443 0.000) 18.773 7.837 ( -9.196 1.539 0.000) 9.324 8.025 ( -18.391 1.334 0.000) 18.440 9.601 ( 7.202 -3.162 0.000) 7.866 9.777 ( -10.001 -5.374 0.000) 11.353 10.235 ( 8.329 0.736 0.000) 8.362 10.361 ( -2.097 2.493 0.000) 3.258 10.646 ( 5.289 -0.742 0.000) 5.341 10.805 ( -9.180 8.343 0.000) 12.404 11.568 ( 2.424 -6.329 0.000) 6.777 11.633 ( -3.147 -15.830 0.000) 16.139 11.910 ( 5.379 0.758 0.000) 5.432 11.999 ( -2.991 2.104 0.000) 3.657 12.693 ( 3.394 -7.919 0.000) 8.616 12.737 ( -0.709 -4.270 0.000) 4.329 13.028 ( 5.958 -0.493 0.000) 5.978 13.217 ( -11.015 2.036 0.000) 11.201 13.457 ( 4.338 -0.291 0.000) 4.348 13.569 ( -5.858 -0.976 0.000) 5.939 13.826 ( 2.959 7.273 0.000) 7.851 13.876 ( -1.813 6.819 0.000) 7.056 14.230 ( 4.073 5.049 0.000) 6.487 14.318 ( -4.242 1.723 0.000) 4.578 15.775 ( 15.692 2.962 0.000) 15.969 16.055 ( -11.594 2.913 0.000) 11.954 22.586 ( 1.825 0.057 0.000) 1.826 22.616 ( -0.767 0.365 0.000) 0.849 22.754 ( 1.627 4.919 0.000) 5.181 22.821 ( -4.712 6.628 0.000) 8.132 23.788 ( 1.508 1.239 0.000) 1.951 23.820 ( -1.572 0.780 0.000) 1.755 24.876 ( 12.531 -7.359 0.000) 14.532 25.100 ( -9.153 -7.602 0.000) 11.899 ======================= Grid point 21 (13/144) ======================= q-point: ( 0.00 0.30 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.386 ( 0.000 23.467 0.000) 23.467 2.112 ( 0.000 32.110 0.000) 32.110 2.277 ( 0.000 18.218 0.000) 18.218 3.366 ( 0.000 -4.254 0.000) 4.254 3.429 ( 0.000 -22.742 0.000) 22.742 3.853 ( 0.000 -3.555 0.000) 3.555 4.246 ( 0.000 -25.446 0.000) 25.446 4.349 ( 0.000 11.896 0.000) 11.896 4.625 ( 0.000 3.623 0.000) 3.623 5.393 ( 0.000 1.453 0.000) 1.453 5.493 ( 0.000 -16.381 0.000) 16.381 5.715 ( 0.000 -1.103 0.000) 1.103 6.311 ( 0.000 12.527 0.000) 12.527 6.337 ( 0.000 1.046 0.000) 1.046 7.023 ( 0.000 9.384 0.000) 9.384 7.858 ( 0.000 -20.798 0.000) 20.798 8.931 ( 0.000 0.939 0.000) 0.939 9.149 ( 0.000 -2.427 0.000) 2.427 9.485 ( 0.000 10.361 0.000) 10.361 9.645 ( 0.000 -13.855 0.000) 13.855 9.879 ( 0.000 -4.363 0.000) 4.363 10.366 ( 0.000 -11.256 0.000) 11.256 10.598 ( 0.000 6.418 0.000) 6.418 10.881 ( 0.000 -3.104 0.000) 3.104 11.586 ( 0.000 7.101 0.000) 7.101 11.775 ( 0.000 0.352 0.000) 0.352 11.817 ( 0.000 1.728 0.000) 1.728 12.173 ( 0.000 1.527 0.000) 1.527 12.238 ( 0.000 -7.302 0.000) 7.302 12.517 ( 0.000 -2.707 0.000) 2.707 13.205 ( 0.000 -4.144 0.000) 4.144 13.547 ( 0.000 7.491 0.000) 7.491 13.592 ( 0.000 2.172 0.000) 2.172 13.771 ( 0.000 -9.080 0.000) 9.080 13.817 ( 0.000 -0.956 0.000) 0.956 14.042 ( 0.000 -1.718 0.000) 1.718 14.212 ( 0.000 -1.024 0.000) 1.024 14.385 ( 0.000 7.331 0.000) 7.331 15.016 ( 0.000 11.342 0.000) 11.342 16.515 ( 0.000 6.057 0.000) 6.057 22.535 ( 0.000 1.250 0.000) 1.250 22.677 ( 0.000 1.433 0.000) 1.433 22.805 ( 0.000 2.507 0.000) 2.507 23.400 ( 0.000 1.586 0.000) 1.586 23.513 ( 0.000 -0.626 0.000) 0.626 23.924 ( 0.000 6.266 0.000) 6.266 24.195 ( 0.000 -3.113 0.000) 3.113 25.110 ( 0.000 -6.622 0.000) 6.622 ======================= Grid point 22 (14/144) ======================= q-point: ( 0.14 0.30 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 210 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.478 ( 3.043 21.785 0.000) 21.996 1.746 ( -3.890 25.251 0.000) 25.548 2.907 ( 32.510 16.746 0.000) 36.569 3.239 ( -11.135 -17.477 0.000) 20.723 3.602 ( 8.418 -3.275 0.000) 9.033 3.802 ( 4.659 -3.780 0.000) 6.000 4.326 ( 2.176 2.874 0.000) 3.605 4.370 ( 5.083 -12.735 0.000) 13.712 4.682 ( 5.832 -1.002 0.000) 5.917 5.294 ( -5.142 -1.724 0.000) 5.423 5.471 ( -3.361 -5.356 0.000) 6.323 5.834 ( 10.561 -5.881 0.000) 12.088 6.305 ( -0.399 1.868 0.000) 1.910 6.430 ( 6.719 9.741 0.000) 11.834 7.014 ( 1.116 8.847 0.000) 8.917 7.851 ( -2.027 -16.789 0.000) 16.911 8.694 ( -19.659 -2.380 0.000) 19.802 8.880 ( -22.438 -3.256 0.000) 22.673 9.486 ( 0.930 7.842 0.000) 7.897 9.803 ( 7.504 -9.120 0.000) 11.810 9.981 ( 10.120 -4.110 0.000) 10.923 10.306 ( -4.455 -7.830 0.000) 9.008 10.537 ( -4.653 3.913 0.000) 6.080 10.961 ( 6.052 -1.398 0.000) 6.211 11.581 ( -5.166 3.232 0.000) 6.094 11.685 ( -2.129 -2.923 0.000) 3.616 11.808 ( -1.871 4.837 0.000) 5.186 12.108 ( -2.102 1.321 0.000) 2.483 12.349 ( 5.587 -7.080 0.000) 9.019 12.585 ( 6.526 -0.259 0.000) 6.531 13.104 ( -8.840 -4.823 0.000) 10.070 13.420 ( -5.116 5.437 0.000) 7.465 13.655 ( -2.465 -3.612 0.000) 4.373 13.729 ( -3.304 -4.380 0.000) 5.487 13.838 ( 2.268 2.936 0.000) 3.710 14.061 ( -2.803 2.742 0.000) 3.921 14.162 ( 2.417 -0.145 0.000) 2.421 14.378 ( -0.726 4.220 0.000) 4.282 15.194 ( 14.595 8.667 0.000) 16.975 16.468 ( -4.555 5.631 0.000) 7.243 22.542 ( 0.666 1.096 0.000) 1.282 22.663 ( -1.147 0.810 0.000) 1.404 22.805 ( 0.040 2.958 0.000) 2.958 23.242 ( -9.295 4.164 0.000) 10.185 23.639 ( 6.136 -3.031 0.000) 6.844 23.916 ( -0.725 5.288 0.000) 5.338 24.279 ( 8.047 -2.973 0.000) 8.579 25.118 ( 0.133 -7.116 0.000) 7.117 ======================= Grid point 23 (15/144) ======================= q-point: ( 0.29 0.30 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 210 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.515 ( 8.331 16.663 0.000) 18.630 2.018 ( 21.249 14.515 0.000) 25.733 2.838 ( -21.616 -10.430 0.000) 24.000 3.293 ( -6.796 -1.871 0.000) 7.049 3.805 ( 20.354 7.545 0.000) 21.707 4.074 ( 13.153 -3.069 0.000) 13.507 4.354 ( 1.762 12.228 0.000) 12.355 4.543 ( 8.639 -10.393 0.000) 13.515 4.863 ( 12.613 -3.731 0.000) 13.153 5.277 ( 0.235 -2.280 0.000) 2.292 5.411 ( 3.924 -4.447 0.000) 5.931 6.119 ( 16.632 -7.348 0.000) 18.183 6.297 ( -0.973 -0.879 0.000) 1.311 6.510 ( 2.389 4.266 0.000) 4.890 7.153 ( 10.964 10.695 0.000) 15.316 7.670 ( -18.121 -9.802 0.000) 20.603 8.279 ( -21.834 0.715 0.000) 21.846 8.351 ( -22.798 -5.593 0.000) 23.474 9.508 ( 0.964 2.066 0.000) 2.280 9.833 ( -4.476 -6.711 0.000) 8.067 10.167 ( 4.079 3.156 0.000) 5.157 10.334 ( 10.696 -8.801 0.000) 13.851 10.447 ( -3.239 2.311 0.000) 3.979 11.056 ( 0.923 3.920 0.000) 4.027 11.400 ( -7.620 -11.448 0.000) 13.752 11.639 ( -5.621 3.422 0.000) 6.581 11.831 ( 4.974 3.821 0.000) 6.272 12.083 ( -1.129 2.024 0.000) 2.318 12.446 ( 4.437 -8.163 0.000) 9.291 12.734 ( 5.017 2.812 0.000) 5.752 12.925 ( -5.306 -5.475 0.000) 7.625 13.361 ( -1.544 1.189 0.000) 1.949 13.495 ( -10.004 -4.080 0.000) 10.804 13.636 ( -5.628 -4.365 0.000) 7.122 13.900 ( 2.963 7.858 0.000) 8.398 14.013 ( -0.666 5.397 0.000) 5.438 14.258 ( 4.257 2.444 0.000) 4.909 14.359 ( -0.891 -0.013 0.000) 0.892 15.524 ( 16.727 6.050 0.000) 17.787 16.335 ( -8.418 4.718 0.000) 9.650 22.561 ( 1.166 0.671 0.000) 1.345 22.638 ( -1.228 -0.168 0.000) 1.240 22.812 ( 0.844 3.765 0.000) 3.858 23.067 ( -7.718 4.946 0.000) 9.167 23.732 ( 3.470 -2.278 0.000) 4.151 23.893 ( -1.601 3.591 0.000) 3.932 24.497 ( 12.316 -4.038 0.000) 12.961 25.087 ( -3.716 -7.230 0.000) 8.129 ======================= Grid point 24 (16/144) ======================= q-point: ( 0.43 0.30 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 210 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.839 ( 21.404 3.876 0.000) 21.752 2.296 ( -17.344 -5.142 0.000) 18.090 2.547 ( 16.226 9.286 0.000) 18.696 2.977 ( -20.311 4.270 0.000) 20.755 4.095 ( 8.042 -10.984 0.000) 13.613 4.204 ( -2.122 -6.333 0.000) 6.679 4.514 ( 12.210 17.415 0.000) 21.269 4.634 ( 0.532 1.002 0.000) 1.135 5.063 ( 5.324 5.573 0.000) 7.708 5.171 ( -6.507 2.957 0.000) 7.147 5.813 ( 26.273 -14.046 0.000) 29.792 6.187 ( -10.065 -9.043 0.000) 13.531 6.455 ( 16.265 -0.043 0.000) 16.265 6.718 ( 13.746 -4.937 0.000) 14.606 7.054 ( -18.501 -1.878 0.000) 18.596 7.330 ( -17.763 1.914 0.000) 17.866 7.891 ( -0.974 4.301 0.000) 4.410 8.076 ( -11.433 3.323 0.000) 11.906 9.547 ( 3.788 -2.504 0.000) 4.541 9.678 ( -8.509 -4.730 0.000) 9.736 10.261 ( 5.523 1.909 0.000) 5.843 10.363 ( -3.996 -1.769 0.000) 4.370 10.629 ( 14.583 -1.237 0.000) 14.635 10.916 ( -12.683 2.321 0.000) 12.894 11.381 ( 4.306 -8.358 0.000) 9.402 11.502 ( -6.873 -0.817 0.000) 6.921 11.948 ( 5.598 2.741 0.000) 6.233 12.041 ( -3.289 2.129 0.000) 3.918 12.542 ( 5.224 -6.914 0.000) 8.666 12.666 ( -6.843 -3.551 0.000) 7.710 13.019 ( 9.732 -0.509 0.000) 9.745 13.230 ( -10.487 -0.573 0.000) 10.502 13.426 ( 2.802 -2.537 0.000) 3.780 13.518 ( -5.548 -4.064 0.000) 6.878 13.954 ( 2.487 6.151 0.000) 6.635 13.998 ( -1.465 5.834 0.000) 6.016 14.318 ( 1.935 3.491 0.000) 3.991 14.345 ( -0.763 0.981 0.000) 1.243 15.851 ( 14.975 4.560 0.000) 15.654 16.127 ( -11.918 4.164 0.000) 12.625 22.587 ( 1.327 0.074 0.000) 1.329 22.613 ( -1.212 -0.406 0.000) 1.278 22.848 ( 2.835 4.307 0.000) 5.157 22.932 ( -5.427 4.648 0.000) 7.145 23.796 ( 2.911 -0.147 0.000) 2.915 23.851 ( -2.453 1.852 0.000) 3.073 24.749 ( 11.816 -5.350 0.000) 12.971 24.960 ( -8.540 -6.450 0.000) 10.702 ======================= Grid point 28 (17/144) ======================= q-point: ( 0.00 0.40 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.831 ( 0.000 22.179 0.000) 22.179 2.475 ( 0.000 4.135 0.000) 4.135 2.665 ( 0.000 24.269 0.000) 24.269 2.967 ( 0.000 -23.611 0.000) 23.611 3.222 ( 0.000 -9.734 0.000) 9.734 3.806 ( 0.000 -1.693 0.000) 1.693 3.872 ( 0.000 -12.999 0.000) 12.999 4.456 ( 0.000 1.669 0.000) 1.669 4.868 ( 0.000 17.140 0.000) 17.140 5.175 ( 0.000 -14.425 0.000) 14.425 5.409 ( 0.000 -1.405 0.000) 1.405 5.695 ( 0.000 -0.693 0.000) 0.693 6.341 ( 0.000 -0.376 0.000) 0.376 6.611 ( 0.000 18.024 0.000) 18.024 7.162 ( 0.000 4.904 0.000) 4.904 7.438 ( 0.000 -22.187 0.000) 22.187 8.947 ( 0.000 0.677 0.000) 0.677 9.103 ( 0.000 -1.986 0.000) 1.986 9.422 ( 0.000 -8.624 0.000) 8.624 9.693 ( 0.000 10.507 0.000) 10.507 9.797 ( 0.000 -3.607 0.000) 3.607 10.153 ( 0.000 -10.269 0.000) 10.269 10.710 ( 0.000 4.390 0.000) 4.390 10.830 ( 0.000 -1.837 0.000) 1.837 11.674 ( 0.000 1.074 0.000) 1.074 11.808 ( 0.000 -1.823 0.000) 1.823 11.829 ( 0.000 5.596 0.000) 5.596 12.159 ( 0.000 -1.512 0.000) 1.512 12.177 ( 0.000 -1.044 0.000) 1.044 12.475 ( 0.000 -1.549 0.000) 1.549 13.148 ( 0.000 -1.417 0.000) 1.417 13.545 ( 0.000 -7.027 0.000) 7.027 13.637 ( 0.000 2.207 0.000) 2.207 13.743 ( 0.000 5.937 0.000) 5.937 13.790 ( 0.000 -1.596 0.000) 1.596 13.998 ( 0.000 -3.115 0.000) 3.115 14.210 ( 0.000 0.613 0.000) 0.613 14.495 ( 0.000 3.997 0.000) 3.997 15.189 ( 0.000 6.299 0.000) 6.299 16.607 ( 0.000 3.259 0.000) 3.259 22.562 ( 0.000 1.400 0.000) 1.400 22.668 ( 0.000 -1.354 0.000) 1.354 22.870 ( 0.000 3.068 0.000) 3.068 23.427 ( 0.000 1.119 0.000) 1.119 23.505 ( 0.000 -0.282 0.000) 0.282 24.032 ( 0.000 4.506 0.000) 4.506 24.143 ( 0.000 -2.073 0.000) 2.073 24.995 ( 0.000 -4.806 0.000) 4.806 ======================= Grid point 29 (18/144) ======================= q-point: ( 0.14 0.40 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 216 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.904 ( 4.034 22.350 0.000) 22.711 2.141 ( -9.451 14.594 0.000) 17.387 2.842 ( -7.217 -22.656 0.000) 23.777 3.150 ( 20.794 10.111 0.000) 23.122 3.496 ( 18.245 -6.596 0.000) 19.401 3.710 ( 3.401 -6.563 0.000) 7.392 4.085 ( 13.956 -7.400 0.000) 15.797 4.441 ( -0.094 1.866 0.000) 1.868 4.770 ( -6.654 4.071 0.000) 7.800 5.233 ( 3.912 0.620 0.000) 3.961 5.443 ( 1.318 -0.377 0.000) 1.371 5.731 ( 5.351 -4.168 0.000) 6.782 6.327 ( -0.690 0.315 0.000) 0.759 6.646 ( -0.824 11.851 0.000) 11.880 7.123 ( 3.240 1.596 0.000) 3.612 7.550 ( 5.840 -12.674 0.000) 13.955 8.634 ( -22.484 -3.300 0.000) 22.725 8.844 ( -21.989 -0.702 0.000) 22.000 9.612 ( -2.568 4.266 0.000) 4.979 9.663 ( 10.474 -4.797 0.000) 11.521 9.895 ( 7.300 -4.073 0.000) 8.359 10.180 ( 3.048 -4.129 0.000) 5.132 10.614 ( -6.648 2.760 0.000) 7.198 10.937 ( 7.747 -0.623 0.000) 7.772 11.563 ( -13.890 -2.702 0.000) 14.151 11.733 ( 1.500 4.899 0.000) 5.124 11.874 ( 0.030 2.180 0.000) 2.180 12.135 ( -1.104 1.250 0.000) 1.668 12.229 ( 3.395 -4.959 0.000) 6.010 12.581 ( 8.945 -0.364 0.000) 8.952 13.043 ( -9.030 -1.559 0.000) 9.163 13.507 ( -5.133 1.107 0.000) 5.252 13.516 ( -5.607 -4.150 0.000) 6.976 13.676 ( -6.277 -2.973 0.000) 6.945 13.923 ( 8.315 4.657 0.000) 9.531 14.075 ( 4.925 -1.265 0.000) 5.084 14.168 ( -1.284 1.054 0.000) 1.661 14.453 ( -3.698 2.984 0.000) 4.752 15.336 ( 12.549 5.479 0.000) 13.693 16.555 ( -4.977 3.155 0.000) 5.892 22.565 ( 0.366 1.251 0.000) 1.304 22.653 ( -1.329 -1.220 0.000) 1.805 22.868 ( -0.049 2.777 0.000) 2.778 23.301 ( -8.072 2.005 0.000) 8.317 23.598 ( 5.175 -1.281 0.000) 5.332 24.001 ( -2.185 2.963 0.000) 3.682 24.242 ( 8.362 -0.763 0.000) 8.397 24.998 ( -0.102 -4.871 0.000) 4.872 ======================= Grid point 30 (19/144) ======================= q-point: ( 0.29 0.40 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 216 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.884 ( 0.376 20.240 0.000) 20.244 2.257 ( 12.015 8.862 0.000) 14.930 2.667 ( -8.818 -9.185 0.000) 12.733 3.257 ( -4.785 0.065 0.000) 4.785 3.743 ( 5.434 -7.870 0.000) 9.564 3.994 ( 11.557 -7.379 0.000) 13.712 4.427 ( 13.410 -1.385 0.000) 13.481 4.555 ( 12.558 6.864 0.000) 14.311 4.766 ( 14.426 -5.574 0.000) 15.465 5.315 ( 3.643 6.141 0.000) 7.140 5.415 ( -1.838 2.639 0.000) 3.216 5.945 ( 13.524 -7.907 0.000) 15.666 6.324 ( 0.590 1.713 0.000) 1.812 6.548 ( -4.737 -0.244 0.000) 4.744 7.325 ( 8.572 6.833 0.000) 10.962 7.511 ( -10.308 -6.200 0.000) 12.029 8.249 ( -11.767 -3.491 0.000) 12.274 8.299 ( -27.719 0.252 0.000) 27.720 9.533 ( -3.413 0.602 0.000) 3.466 9.728 ( -3.546 -3.868 0.000) 5.247 10.140 ( 13.966 -6.045 0.000) 15.218 10.259 ( 3.835 2.728 0.000) 4.706 10.496 ( -3.167 1.284 0.000) 3.417 11.106 ( 7.263 1.442 0.000) 7.405 11.252 ( -14.388 -4.186 0.000) 14.985 11.690 ( -6.603 1.867 0.000) 6.861 11.913 ( 4.209 3.915 0.000) 5.748 12.113 ( -1.223 1.068 0.000) 1.624 12.313 ( 4.981 -5.211 0.000) 7.208 12.776 ( 5.855 1.313 0.000) 6.001 12.840 ( -6.380 -3.038 0.000) 7.067 13.374 ( -6.755 -0.569 0.000) 6.779 13.418 ( -4.644 -1.910 0.000) 5.021 13.539 ( -6.286 -5.012 0.000) 8.039 14.034 ( 1.712 5.112 0.000) 5.391 14.106 ( 1.061 4.154 0.000) 4.288 14.257 ( 6.247 -1.434 0.000) 6.410 14.378 ( -2.572 1.127 0.000) 2.808 15.630 ( 15.222 4.334 0.000) 15.827 16.411 ( -8.894 2.912 0.000) 9.359 22.576 ( 0.629 0.813 0.000) 1.028 22.624 ( -1.244 -0.939 0.000) 1.559 22.874 ( 0.849 2.353 0.000) 2.501 23.136 ( -7.760 2.257 0.000) 8.081 23.697 ( 4.673 -1.200 0.000) 4.824 23.949 ( -2.937 1.951 0.000) 3.526 24.449 ( 11.244 -1.051 0.000) 11.293 24.970 ( -3.138 -4.563 0.000) 5.537 ======================= Grid point 31 (20/144) ======================= q-point: ( 0.43 0.40 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 216 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.002 ( 10.499 11.252 0.000) 15.390 2.256 ( -12.046 0.140 0.000) 12.047 2.735 ( 15.268 8.536 0.000) 17.492 3.058 ( -14.115 3.953 0.000) 14.658 3.850 ( 6.693 -12.427 0.000) 14.115 4.000 ( -6.508 -12.542 0.000) 14.130 4.629 ( 7.986 -0.890 0.000) 8.035 4.717 ( 1.462 4.257 0.000) 4.501 5.201 ( 12.638 7.095 0.000) 14.493 5.307 ( -2.084 8.606 0.000) 8.855 5.619 ( 23.505 -5.323 0.000) 24.100 6.031 ( -10.199 -6.066 0.000) 11.867 6.437 ( 11.039 -1.372 0.000) 11.124 6.599 ( 6.114 -6.779 0.000) 9.129 7.042 ( -12.389 0.188 0.000) 12.391 7.341 ( -22.626 -0.366 0.000) 22.629 7.989 ( 4.320 5.069 0.000) 6.660 8.131 ( -5.300 1.892 0.000) 5.628 9.505 ( 1.507 -1.659 0.000) 2.241 9.602 ( -7.090 -2.861 0.000) 7.645 10.298 ( 2.609 0.929 0.000) 2.769 10.328 ( 0.717 -0.533 0.000) 0.893 10.593 ( 13.006 -2.158 0.000) 13.184 10.902 ( -15.923 -2.345 0.000) 16.095 11.315 ( 9.454 0.080 0.000) 9.454 11.513 ( -9.720 1.115 0.000) 9.784 12.005 ( 4.269 2.861 0.000) 5.139 12.076 ( -2.584 1.372 0.000) 2.926 12.436 ( 7.154 -3.950 0.000) 8.172 12.608 ( -9.648 -2.284 0.000) 9.914 13.007 ( 10.183 -0.656 0.000) 10.204 13.207 ( -9.268 -1.453 0.000) 9.381 13.377 ( 0.667 -1.921 0.000) 2.033 13.431 ( -4.222 -4.294 0.000) 6.022 14.055 ( 1.459 3.923 0.000) 4.185 14.096 ( -2.053 4.062 0.000) 4.551 14.349 ( 2.518 0.061 0.000) 2.519 14.365 ( 0.403 1.105 0.000) 1.176 15.932 ( 14.094 3.377 0.000) 14.493 16.198 ( -11.843 2.874 0.000) 12.187 22.590 ( 0.699 0.176 0.000) 0.721 22.604 ( -0.780 -0.468 0.000) 0.909 22.911 ( 2.878 2.133 0.000) 3.583 22.997 ( -5.616 2.127 0.000) 6.005 23.791 ( 4.536 -0.193 0.000) 4.540 23.879 ( -3.937 0.951 0.000) 4.050 24.676 ( 10.520 -2.241 0.000) 10.756 24.862 ( -7.385 -3.569 0.000) 8.202 ======================= Grid point 35 (21/144) ======================= q-point: ( 0.00 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.132 ( 0.000 0.000 0.000) 0.000 2.490 ( 0.000 0.000 0.000) 0.000 2.665 ( 0.000 0.000 0.000) 0.000 2.983 ( 0.000 0.000 0.000) 0.000 3.052 ( 0.000 0.000 0.000) 0.000 3.741 ( 0.000 0.000 0.000) 0.000 3.787 ( 0.000 0.000 0.000) 0.000 4.471 ( 0.000 0.000 0.000) 0.000 5.020 ( 0.000 0.000 0.000) 0.000 5.095 ( 0.000 0.000 0.000) 0.000 5.351 ( 0.000 0.000 0.000) 0.000 5.691 ( 0.000 0.000 0.000) 0.000 6.335 ( 0.000 0.000 0.000) 0.000 6.935 ( 0.000 -0.000 0.000) 0.000 7.074 ( 0.000 0.000 0.000) 0.000 7.210 ( 0.000 0.000 0.000) 0.000 8.954 ( 0.000 0.000 0.000) 0.000 9.082 ( 0.000 -0.000 0.000) 0.000 9.335 ( 0.000 0.000 0.000) 0.000 9.759 ( 0.000 0.000 0.000) 0.000 9.837 ( 0.000 0.000 0.000) 0.000 10.012 ( 0.000 -0.000 0.000) 0.000 10.754 ( 0.000 0.000 0.000) 0.000 10.813 ( 0.000 0.000 0.000) 0.000 11.675 ( 0.000 0.000 0.000) 0.000 11.785 ( 0.000 0.000 0.000) 0.000 11.905 ( 0.000 0.000 0.000) 0.000 12.149 ( 0.000 0.000 0.000) 0.000 12.156 ( 0.000 0.000 0.000) 0.000 12.460 ( 0.000 0.000 0.000) 0.000 13.139 ( 0.000 0.000 0.000) 0.000 13.464 ( 0.000 0.000 0.000) 0.000 13.663 ( 0.000 0.000 0.000) 0.000 13.770 ( 0.000 0.000 0.000) 0.000 13.823 ( 0.000 0.000 0.000) 0.000 13.949 ( 0.000 0.000 0.000) 0.000 14.219 ( 0.000 0.000 0.000) 0.000 14.534 ( 0.000 0.000 0.000) 0.000 15.251 ( 0.000 0.000 0.000) 0.000 16.638 ( 0.000 0.000 0.000) 0.000 22.579 ( 0.000 0.000 0.000) 0.000 22.650 ( 0.000 0.000 0.000) 0.000 22.901 ( 0.000 0.000 0.000) 0.000 23.438 ( 0.000 0.000 0.000) 0.000 23.502 ( 0.000 0.000 0.000) 0.000 24.079 ( 0.000 0.000 0.000) 0.000 24.122 ( 0.000 0.000 0.000) 0.000 24.945 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 37 (22/144) ======================= q-point: ( 0.14 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.220 ( 7.186 0.000 0.000) 7.186 2.397 ( -12.549 -0.000 0.000) 12.549 2.403 ( -4.361 0.000 0.000) 4.361 3.254 ( 15.681 0.000 0.000) 15.681 3.476 ( 27.120 0.000 0.000) 27.120 3.582 ( -4.182 0.000 0.000) 4.182 4.023 ( 15.938 0.000 0.000) 15.938 4.460 ( 0.112 0.000 0.000) 0.112 4.773 ( -10.997 0.000 0.000) 10.997 5.357 ( 11.436 -0.000 0.000) 11.436 5.367 ( 1.612 0.000 0.000) 1.612 5.690 ( 1.689 0.000 0.000) 1.689 6.328 ( -0.221 0.000 0.000) 0.221 6.804 ( -15.370 0.000 0.000) 15.370 7.094 ( 14.108 0.000 0.000) 14.108 7.428 ( 9.645 0.000 0.000) 9.645 8.597 ( -23.648 0.000 0.000) 23.648 8.839 ( -21.751 0.000 0.000) 21.751 9.604 ( 14.207 0.000 0.000) 14.207 9.663 ( -6.651 0.000 0.000) 6.651 9.852 ( 3.252 0.000 0.000) 3.252 10.143 ( 8.951 0.000 0.000) 8.951 10.638 ( -7.245 0.000 0.000) 7.245 10.934 ( 8.000 0.000 0.000) 8.000 11.534 ( -13.317 0.000 0.000) 13.317 11.788 ( 0.639 0.000 0.000) 0.639 11.897 ( -0.238 0.000 0.000) 0.238 12.147 ( -0.819 0.000 0.000) 0.819 12.177 ( 2.699 0.000 0.000) 2.699 12.576 ( 9.472 0.000 0.000) 9.472 13.031 ( -9.283 0.000 0.000) 9.283 13.439 ( -2.596 0.000 0.000) 2.596 13.566 ( -6.910 0.000 0.000) 6.910 13.629 ( -8.479 0.000 0.000) 8.479 13.983 ( 9.054 0.000 0.000) 9.054 14.046 ( 6.870 -0.000 0.000) 6.870 14.182 ( -1.947 0.000 0.000) 1.947 14.483 ( -4.560 0.000 0.000) 4.560 15.390 ( 12.031 0.000 0.000) 12.031 16.585 ( -5.060 0.000 0.000) 5.060 22.582 ( 0.216 0.000 0.000) 0.216 22.636 ( -1.189 0.000 0.000) 1.189 22.896 ( -0.320 0.000 0.000) 0.320 23.320 ( -7.761 0.000 0.000) 7.761 23.586 ( 4.836 0.000 0.000) 4.836 24.027 ( -2.724 0.000 0.000) 2.724 24.239 ( 8.594 0.000 0.000) 8.594 24.948 ( -0.074 0.000 0.000) 0.074 ======================= Grid point 39 (23/144) ======================= q-point: ( 0.29 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.170 ( -4.625 -0.000 0.000) 4.625 2.339 ( -3.042 0.000 0.000) 3.042 2.500 ( 14.588 0.000 0.000) 14.588 3.286 ( -6.278 0.000 0.000) 6.278 3.653 ( 3.499 0.000 0.000) 3.499 3.883 ( 7.972 0.000 0.000) 7.972 4.425 ( 13.111 0.000 0.000) 13.111 4.635 ( 27.398 0.000 0.000) 27.398 4.683 ( 3.482 -0.000 0.000) 3.482 5.422 ( 3.957 0.000 0.000) 3.957 5.433 ( -1.823 -0.000 0.000) 1.823 5.861 ( 13.033 0.000 0.000) 13.033 6.343 ( 1.981 0.000 0.000) 1.981 6.534 ( -9.643 0.000 0.000) 9.643 7.417 ( 13.789 0.000 0.000) 13.789 7.428 ( -13.457 -0.000 0.000) 13.457 8.214 ( -9.480 0.000 0.000) 9.480 8.302 ( -27.236 0.000 0.000) 27.236 9.537 ( -4.990 0.000 0.000) 4.990 9.690 ( -3.242 0.000 0.000) 3.242 10.076 ( 14.947 0.000 0.000) 14.947 10.295 ( 5.150 0.000 0.000) 5.150 10.503 ( -4.394 0.000 0.000) 4.394 11.119 ( 9.872 0.000 0.000) 9.872 11.216 ( -16.698 0.000 0.000) 16.698 11.709 ( -7.582 0.000 0.000) 7.582 11.955 ( 4.573 -0.000 0.000) 4.573 12.123 ( -1.437 0.000 0.000) 1.437 12.260 ( 5.373 0.000 0.000) 5.373 12.786 ( 9.174 0.000 0.000) 9.174 12.812 ( -10.003 0.000 0.000) 10.003 13.347 ( -6.481 0.000 0.000) 6.481 13.443 ( -4.566 0.000 0.000) 4.566 13.461 ( -7.009 -0.000 0.000) 7.009 14.083 ( 0.583 -0.000 0.000) 0.583 14.156 ( 2.560 0.000 0.000) 2.560 14.234 ( 6.693 0.000 0.000) 6.693 14.389 ( -3.146 0.000 0.000) 3.146 15.674 ( 14.719 0.000 0.000) 14.719 16.440 ( -8.974 0.000 0.000) 8.974 22.587 ( 0.307 -0.000 0.000) 0.307 22.611 ( -1.001 0.000 0.000) 1.001 22.897 ( 0.646 0.000 0.000) 0.646 23.157 ( -7.810 0.000 0.000) 7.810 23.686 ( 4.996 0.000 0.000) 4.996 23.967 ( -3.334 0.000 0.000) 3.334 24.442 ( 10.735 -0.000 0.000) 10.735 24.923 ( -2.753 0.000 0.000) 2.753 ======================= Grid point 41 (24/144) ======================= q-point: ( 0.43 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.156 ( 2.795 -0.000 0.000) 2.795 2.250 ( -5.367 0.000 0.000) 5.367 2.821 ( 15.923 0.000 0.000) 15.923 3.111 ( -11.558 0.000 0.000) 11.558 3.711 ( 4.581 0.000 0.000) 4.581 3.845 ( -7.086 0.000 0.000) 7.086 4.618 ( 8.731 0.000 0.000) 8.731 4.747 ( -1.881 0.000 0.000) 1.881 5.270 ( 20.451 0.000 0.000) 20.451 5.405 ( -0.749 0.000 0.000) 0.749 5.586 ( 17.554 0.000 0.000) 17.554 5.971 ( -8.841 0.000 0.000) 8.841 6.424 ( 6.548 0.000 0.000) 6.548 6.514 ( 5.086 0.000 0.000) 5.086 7.046 ( -10.355 0.000 0.000) 10.355 7.334 ( -23.472 0.000 0.000) 23.472 8.047 ( 4.577 0.000 0.000) 4.577 8.146 ( -2.207 0.000 0.000) 2.207 9.488 ( 0.827 0.000 0.000) 0.827 9.574 ( -6.589 0.000 0.000) 6.589 10.293 ( 4.699 0.000 0.000) 4.699 10.340 ( -0.474 -0.000 0.000) 0.474 10.567 ( 11.852 0.000 0.000) 11.852 10.875 ( -16.482 0.000 0.000) 16.482 11.324 ( 10.037 0.000 0.000) 10.037 11.526 ( -9.707 0.000 0.000) 9.707 12.038 ( 3.236 0.000 0.000) 3.236 12.089 ( -1.952 0.000 0.000) 1.952 12.396 ( 8.004 0.000 0.000) 8.004 12.585 ( -10.337 0.000 0.000) 10.337 12.999 ( 9.943 0.000 0.000) 9.943 13.190 ( -8.666 0.000 0.000) 8.666 13.368 ( -1.914 0.000 0.000) 1.914 13.375 ( -2.156 -0.000 0.000) 2.156 14.095 ( 1.244 -0.000 0.000) 1.244 14.139 ( -2.720 0.000 0.000) 2.720 14.347 ( 3.535 0.000 0.000) 3.535 14.375 ( 0.291 0.000 0.000) 0.291 15.967 ( 13.699 0.000 0.000) 13.699 16.227 ( -11.715 0.000 0.000) 11.715 22.593 ( 0.239 0.000 0.000) 0.239 22.598 ( -0.359 0.000 0.000) 0.359 22.931 ( 2.803 0.000 0.000) 2.803 23.017 ( -5.662 0.000 0.000) 5.662 23.789 ( 5.071 0.000 0.000) 5.071 23.888 ( -4.436 0.000 0.000) 4.436 24.656 ( 9.778 -0.000 0.000) 9.778 24.827 ( -6.698 0.000 0.000) 6.698 ======================= Grid point 77 (25/144) ======================= q-point: ( 0.00 0.00 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.489 ( 0.000 0.000 24.130) 24.130 0.748 ( 0.000 0.000 37.157) 37.157 1.193 ( 0.000 0.000 58.486) 58.486 3.366 ( 0.000 0.000 1.610) 1.610 3.624 ( 0.000 0.000 -6.765) 6.765 3.987 ( 0.000 0.000 -8.453) 8.453 4.206 ( 0.000 0.000 1.507) 1.507 4.636 ( 0.000 0.000 -11.139) 11.139 5.069 ( 0.000 0.000 3.755) 3.755 5.483 ( 0.000 0.000 -5.317) 5.317 5.784 ( 0.000 0.000 -10.973) 10.973 5.910 ( 0.000 0.000 -20.899) 20.899 5.957 ( 0.000 0.000 -3.949) 3.949 6.418 ( 0.000 0.000 10.050) 10.050 6.530 ( 0.000 0.000 8.490) 8.490 8.234 ( 0.000 0.000 -17.726) 17.726 8.961 ( 0.000 0.000 -0.234) 0.234 9.090 ( 0.000 0.000 5.212) 5.212 9.446 ( 0.000 0.000 -0.720) 0.720 10.062 ( 0.000 0.000 -7.608) 7.608 10.076 ( 0.000 0.000 -0.438) 0.438 10.321 ( 0.000 0.000 -1.910) 1.910 10.735 ( 0.000 0.000 -2.345) 2.345 11.039 ( 0.000 0.000 1.320) 1.320 11.520 ( 0.000 0.000 -2.550) 2.550 11.552 ( 0.000 0.000 3.117) 3.117 11.901 ( 0.000 0.000 -2.980) 2.980 11.961 ( 0.000 0.000 -7.075) 7.075 12.737 ( 0.000 0.000 9.686) 9.686 12.879 ( 0.000 0.000 -2.986) 2.986 13.063 ( 0.000 0.000 4.237) 4.237 13.109 ( 0.000 0.000 4.554) 4.554 13.548 ( 0.000 0.000 -3.607) 3.607 13.574 ( 0.000 0.000 -1.307) 1.307 13.965 ( 0.000 0.000 2.084) 2.084 14.065 ( 0.000 0.000 7.510) 7.510 14.205 ( 0.000 0.000 0.616) 0.616 14.588 ( 0.000 0.000 8.720) 8.720 14.679 ( 0.000 0.000 5.946) 5.946 16.085 ( 0.000 0.000 -0.189) 0.189 22.471 ( 0.000 0.000 0.559) 0.559 22.725 ( 0.000 0.000 -0.406) 0.406 22.891 ( 0.000 0.000 6.821) 6.821 23.358 ( 0.000 0.000 1.690) 1.690 23.428 ( 0.000 0.000 1.655) 1.655 24.230 ( 0.000 0.000 -1.820) 1.820 24.288 ( 0.000 0.000 -2.937) 2.937 24.959 ( 0.000 0.000 -3.491) 3.491 ======================= Grid point 78 (26/144) ======================= q-point: ( 0.14 0.00 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 210 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.863 ( 10.747 0.000 31.840) 33.605 0.906 ( 31.388 0.000 12.480) 33.778 1.766 ( 49.544 0.000 35.087) 60.710 3.484 ( 4.652 0.000 -3.710) 5.950 3.634 ( 0.285 0.000 -7.613) 7.618 3.917 ( -2.050 0.000 -2.489) 3.225 4.070 ( -10.977 0.000 3.753) 11.601 4.635 ( 0.407 0.000 -12.600) 12.606 5.089 ( 2.856 0.000 1.744) 3.347 5.653 ( 9.720 0.000 -8.768) 13.090 5.653 ( -14.075 0.000 -9.324) 16.883 5.773 ( 4.599 0.000 -3.161) 5.580 6.181 ( 13.320 0.000 -6.233) 14.706 6.443 ( 2.510 0.000 9.385) 9.715 6.454 ( 0.932 0.000 10.446) 10.487 8.177 ( -6.295 0.000 -17.672) 18.760 8.804 ( -19.411 0.000 -5.667) 20.221 9.001 ( -11.991 0.000 0.794) 12.018 9.383 ( -1.630 0.000 1.872) 2.482 10.000 ( -3.166 0.000 -5.085) 5.990 10.176 ( 5.093 0.000 2.624) 5.729 10.318 ( -0.591 0.000 -1.846) 1.938 10.644 ( -7.366 0.000 -4.574) 8.670 11.174 ( 10.645 0.000 0.572) 10.660 11.296 ( -12.310 0.000 2.994) 12.669 11.691 ( -6.175 0.000 7.264) 9.534 11.718 ( 6.492 0.000 -5.941) 8.800 12.092 ( 11.711 0.000 -5.077) 12.764 12.800 ( -7.297 0.000 -1.369) 7.424 12.837 ( 4.908 0.000 1.556) 5.149 13.078 ( 2.564 0.000 5.638) 6.194 13.120 ( 0.859 0.000 3.893) 3.987 13.549 ( 0.050 0.000 -3.164) 3.164 13.660 ( 3.519 0.000 -2.252) 4.178 13.851 ( -7.221 0.000 11.629) 13.688 13.971 ( -15.190 0.000 5.863) 16.282 13.989 ( -2.260 0.000 2.735) 3.548 14.530 ( -3.502 0.000 3.410) 4.888 14.988 ( 20.530 0.000 6.297) 21.474 16.210 ( 3.851 0.000 -6.026) 7.151 22.480 ( 0.878 0.000 0.615) 1.072 22.710 ( -1.474 0.000 -0.392) 1.525 22.848 ( -15.204 0.000 20.215) 25.294 22.871 ( -1.886 0.000 6.787) 7.044 23.629 ( 3.498 0.000 -2.655) 4.391 24.057 ( -8.426 0.000 -1.565) 8.570 24.505 ( 12.559 0.000 -3.246) 12.972 25.271 ( 11.232 0.000 -17.457) 20.758 ======================= Grid point 79 (27/144) ======================= q-point: ( 0.29 0.00 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 210 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.361 ( 32.867 0.000 0.097) 32.867 1.593 ( 34.628 0.000 6.162) 35.172 2.788 ( 47.441 0.000 25.050) 53.648 3.271 ( -21.855 0.000 -10.781) 24.369 3.472 ( -19.159 0.000 -4.796) 19.750 3.967 ( 4.650 0.000 2.416) 5.240 4.040 ( 6.725 0.000 6.338) 9.241 4.658 ( 1.237 0.000 -15.555) 15.604 5.145 ( -1.776 0.000 -0.475) 1.839 5.401 ( -11.051 0.000 -10.534) 15.268 5.769 ( 15.532 0.000 -0.717) 15.549 6.114 ( 17.716 0.000 -5.596) 18.579 6.309 ( 1.051 0.000 1.169) 1.572 6.550 ( 10.533 0.000 9.748) 14.352 6.737 ( 22.897 0.000 -0.956) 22.917 7.937 ( -18.799 0.000 -12.106) 22.359 8.227 ( -33.362 0.000 -5.101) 33.750 8.584 ( -26.273 0.000 -2.744) 26.416 9.459 ( 7.691 0.000 0.195) 7.693 9.941 ( -2.840 0.000 -3.086) 4.194 10.278 ( 5.569 0.000 6.284) 8.397 10.295 ( -1.475 0.000 -0.723) 1.642 10.468 ( -8.716 0.000 -4.469) 9.795 11.030 ( -13.780 0.000 3.383) 14.190 11.417 ( 12.869 0.000 -2.989) 13.211 11.721 ( 6.135 0.000 -0.429) 6.150 11.810 ( 2.656 0.000 -8.838) 9.229 12.303 ( 2.119 0.000 -8.441) 8.703 12.666 ( 0.214 0.000 4.248) 4.253 12.916 ( 3.253 0.000 0.978) 3.397 13.135 ( 0.423 0.000 3.574) 3.599 13.158 ( 4.374 0.000 5.353) 6.913 13.542 ( -1.353 0.000 0.116) 1.358 13.586 ( -8.086 0.000 1.270) 8.185 13.721 ( -8.025 0.000 5.499) 9.729 13.790 ( -2.426 0.000 8.238) 8.587 14.006 ( 4.714 0.000 1.525) 4.955 14.435 ( -5.767 0.000 3.716) 6.860 15.403 ( 19.415 0.000 4.066) 19.836 16.189 ( -4.956 0.000 -2.119) 5.390 22.508 ( 1.866 0.000 0.529) 1.939 22.668 ( -2.531 0.000 -0.307) 2.549 22.702 ( -2.079 0.000 12.580) 12.751 22.819 ( -3.046 0.000 6.810) 7.460 23.683 ( 2.421 0.000 -1.221) 2.711 23.910 ( -5.957 0.000 -1.018) 6.043 24.766 ( 12.773 0.000 -4.058) 13.402 25.334 ( -2.627 0.000 -10.598) 10.918 ======================= Grid point 80 (28/144) ======================= q-point: ( 0.43 0.00 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 210 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.061 ( 34.134 0.000 -8.909) 35.278 2.291 ( 33.099 0.000 2.761) 33.214 2.728 ( -29.888 0.000 -10.448) 31.662 2.943 ( -29.339 0.000 -0.177) 29.339 3.628 ( 31.051 0.000 17.845) 35.813 4.019 ( -8.993 0.000 9.431) 13.031 4.189 ( 16.375 0.000 -1.271) 16.425 4.565 ( -14.523 0.000 -7.699) 16.437 5.066 ( 0.766 0.000 -5.746) 5.797 5.192 ( -9.254 0.000 -11.455) 14.726 6.281 ( 7.991 0.000 -4.610) 9.225 6.316 ( -0.070 0.000 0.225) 0.236 6.409 ( 34.856 0.000 3.104) 34.994 6.950 ( 25.181 0.000 2.972) 25.355 7.131 ( -4.955 0.000 -3.358) 5.986 7.356 ( -23.575 0.000 3.657) 23.857 7.695 ( -11.472 0.000 -10.790) 15.749 8.014 ( -27.855 0.000 -4.645) 28.240 9.652 ( 10.358 0.000 -4.632) 11.346 9.844 ( -7.457 0.000 -6.187) 9.689 10.272 ( -0.324 0.000 2.088) 2.113 10.302 ( -3.654 0.000 5.638) 6.719 10.472 ( 10.716 0.000 0.129) 10.716 10.739 ( -14.346 0.000 2.772) 14.611 11.680 ( 11.553 0.000 -9.024) 14.660 11.819 ( -2.300 0.000 -10.169) 10.426 11.871 ( 8.747 0.000 -0.816) 8.785 12.115 ( -14.092 0.000 -3.513) 14.523 12.856 ( 11.449 0.000 0.326) 11.454 12.964 ( 0.549 0.000 -0.058) 0.552 13.142 ( 1.015 0.000 4.740) 4.848 13.203 ( -1.919 0.000 4.723) 5.098 13.441 ( -3.307 0.000 4.691) 5.740 13.474 ( -4.213 0.000 6.378) 7.644 13.664 ( 1.147 0.000 0.466) 1.238 13.719 ( -3.690 0.000 2.922) 4.707 14.143 ( 7.698 0.000 4.091) 8.718 14.299 ( -7.370 0.000 4.510) 8.640 15.762 ( 15.465 0.000 2.309) 15.637 16.028 ( -10.580 0.000 0.520) 10.593 22.554 ( 2.611 0.000 0.240) 2.622 22.611 ( -2.899 0.000 -0.086) 2.900 22.704 ( 1.669 0.000 8.693) 8.851 22.755 ( -3.042 0.000 7.230) 7.844 23.737 ( 3.017 0.000 -0.784) 3.117 23.809 ( -4.119 0.000 -0.738) 4.185 25.015 ( 11.327 0.000 -5.090) 12.418 25.217 ( -8.239 0.000 -6.826) 10.699 ======================= Grid point 84 (29/144) ======================= q-point: ( 0.00 0.10 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.891 ( 0.000 13.535 31.312) 34.112 1.045 ( 0.000 26.178 26.084) 36.955 1.266 ( 0.000 26.290 34.944) 43.729 3.387 ( 0.000 1.953 1.942) 2.754 3.658 ( 0.000 3.343 -8.212) 8.867 4.005 ( 0.000 -0.501 -6.050) 6.070 4.165 ( 0.000 -2.497 3.671) 4.440 4.632 ( 0.000 -3.928 -14.979) 15.486 5.155 ( 0.000 5.135 -8.660) 10.068 5.320 ( 0.000 -19.991 0.091) 19.991 5.640 ( 0.000 -4.310 -15.063) 15.668 5.847 ( 0.000 -4.591 -9.399) 10.460 6.062 ( 0.000 4.131 -4.330) 5.985 6.355 ( 0.000 -3.167 6.808) 7.508 6.637 ( 0.000 9.362 8.534) 12.668 8.208 ( 0.000 -3.750 -17.732) 18.124 8.935 ( 0.000 -1.976 0.514) 2.042 9.113 ( 0.000 2.078 2.749) 3.446 9.363 ( 0.000 -6.427 -2.720) 6.979 10.017 ( 0.000 -4.030 0.488) 4.059 10.166 ( 0.000 8.365 -6.520) 10.606 10.208 ( 0.000 -9.961 0.985) 10.009 10.789 ( 0.000 3.840 -6.591) 7.629 10.925 ( 0.000 -9.595 3.170) 10.105 11.386 ( 0.000 -7.625 -2.634) 8.067 11.632 ( 0.000 6.582 2.442) 7.020 11.884 ( 0.000 -0.951 1.349) 1.650 12.012 ( 0.000 3.183 -6.250) 7.014 12.627 ( 0.000 -10.494 1.153) 10.558 12.824 ( 0.000 -3.719 8.440) 9.223 13.054 ( 0.000 6.606 3.695) 7.569 13.400 ( 0.000 9.885 -7.650) 12.500 13.506 ( 0.000 -0.337 -3.422) 3.439 13.711 ( 0.000 7.375 -2.756) 7.874 13.966 ( 0.000 -1.308 3.598) 3.828 14.125 ( 0.000 6.372 7.448) 9.802 14.249 ( 0.000 3.475 1.126) 3.653 14.547 ( 0.000 -10.149 14.911) 18.037 14.652 ( 0.000 6.583 7.694) 10.125 16.120 ( 0.000 4.540 -6.621) 8.028 22.507 ( 0.000 3.583 0.770) 3.665 22.667 ( 0.000 -3.346 6.645) 7.440 22.884 ( 0.000 -0.683 7.027) 7.060 23.365 ( 0.000 0.751 1.656) 1.819 23.465 ( 0.000 2.475 -1.706) 3.006 23.949 ( 0.000 -11.179 11.008) 15.689 24.272 ( 0.000 -1.615 -2.852) 3.278 25.136 ( 0.000 5.267 -12.393) 13.466 ======================= Grid point 85 (30/144) ======================= q-point: ( 0.14 0.10 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 350 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.799 ( 7.457 11.875 20.649) 24.960 1.126 ( 21.110 10.172 24.937) 34.220 2.050 ( 47.544 25.859 23.074) 58.834 3.459 ( -2.343 -1.710 -6.389) 7.016 3.692 ( 5.445 3.189 -4.166) 7.561 3.932 ( -5.961 0.981 -2.892) 6.698 4.041 ( -6.435 -1.101 5.357) 8.445 4.633 ( 0.187 -2.565 -15.901) 16.108 5.092 ( -2.703 -1.135 -1.896) 3.491 5.411 ( 2.706 -15.734 -4.943) 16.712 5.703 ( 2.345 -5.327 -6.601) 8.800 5.777 ( 3.918 3.871 -9.084) 10.624 6.194 ( 9.515 1.131 -1.235) 9.661 6.361 ( 3.626 -2.357 5.222) 6.780 6.620 ( 0.319 10.135 6.801) 12.209 8.144 ( -6.736 -4.067 -16.866) 18.611 8.766 ( -18.707 -2.847 -3.057) 19.167 9.007 ( -14.623 -0.201 0.491) 14.633 9.308 ( 1.213 -5.086 -0.434) 5.246 10.012 ( -2.145 -1.606 -5.184) 5.836 10.194 ( 4.164 2.885 2.595) 5.691 10.221 ( -0.839 -6.001 -0.080) 6.060 10.719 ( -4.753 3.812 -5.146) 7.975 10.987 ( 3.225 -10.804 0.263) 11.278 11.397 ( -0.702 1.028 -0.750) 1.453 11.599 ( 0.376 1.611 1.523) 2.248 11.849 ( -1.222 3.603 -2.779) 4.711 12.064 ( 5.373 -2.269 -3.582) 6.844 12.627 ( -1.310 -9.994 0.259) 10.083 12.831 ( 2.165 -3.618 6.129) 7.440 13.097 ( 1.307 4.792 2.000) 5.355 13.298 ( -4.049 8.573 2.065) 9.703 13.545 ( 1.298 1.353 -2.390) 3.038 13.741 ( 0.960 4.540 -1.523) 4.884 13.911 ( -7.704 2.559 3.935) 9.021 13.990 ( -7.514 4.720 8.423) 12.234 14.030 ( -8.721 4.098 7.208) 12.034 14.513 ( -1.398 -1.896 5.738) 6.202 14.994 ( 20.556 1.348 5.415) 21.300 16.193 ( 3.061 0.186 -6.319) 7.024 22.516 ( 0.873 3.550 0.771) 3.736 22.653 ( -1.079 -2.519 6.882) 7.407 22.863 ( -2.084 -0.501 7.205) 7.517 22.995 ( -13.939 9.680 7.483) 18.547 23.646 ( 3.903 1.426 -3.125) 5.199 23.972 ( -2.339 -6.833 1.604) 7.398 24.420 ( 13.095 -5.793 -2.080) 14.469 25.249 ( 5.939 -2.645 -12.846) 14.398 ======================= Grid point 86 (31/144) ======================= q-point: ( 0.29 0.10 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 350 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.269 ( 32.016 -3.640 -0.319) 32.224 1.687 ( 31.329 6.922 11.806) 34.187 2.996 ( 39.155 16.854 15.714) 45.433 3.185 ( -17.241 -4.527 -8.367) 19.691 3.520 ( -22.221 1.100 2.519) 22.391 3.897 ( 5.488 0.794 -1.736) 5.810 4.154 ( 8.332 5.167 3.946) 10.568 4.636 ( 0.121 -2.459 -16.554) 16.736 5.075 ( -2.078 -6.217 0.214) 6.558 5.354 ( -6.553 -4.546 -9.474) 12.384 5.780 ( 15.189 -0.564 0.638) 15.213 6.101 ( 17.052 -0.819 -7.752) 18.749 6.321 ( 5.345 -0.380 4.242) 6.834 6.521 ( 8.366 -0.884 4.028) 9.327 6.778 ( 17.743 3.770 -0.309) 18.142 7.898 ( -18.839 -4.070 -10.894) 22.139 8.221 ( -31.428 -0.433 -4.865) 31.805 8.545 ( -27.290 -3.819 -1.984) 27.628 9.439 ( 9.192 -1.272 -1.064) 9.341 9.956 ( -3.064 0.313 -4.531) 5.479 10.152 ( -4.084 -7.805 -0.743) 8.840 10.302 ( 5.763 2.807 5.790) 8.638 10.633 ( -4.033 9.342 -3.478) 10.753 10.938 ( -8.434 -7.822 1.965) 11.669 11.427 ( 5.727 0.683 -4.749) 7.471 11.688 ( 6.251 -2.857 -2.330) 7.257 11.851 ( 0.565 2.315 -7.702) 8.062 12.145 ( -0.423 -12.742 -3.409) 13.197 12.632 ( 4.378 -1.140 2.545) 5.191 12.889 ( 2.527 -6.197 2.792) 7.252 13.071 ( -1.728 0.317 2.531) 3.081 13.293 ( 0.247 7.090 4.227) 8.258 13.525 ( -3.455 1.483 1.289) 3.975 13.683 ( -3.335 3.402 2.646) 5.449 13.786 ( -4.224 6.914 7.428) 10.991 13.828 ( -5.058 3.814 6.500) 9.076 14.040 ( 4.428 4.024 2.416) 6.452 14.442 ( -5.297 0.663 3.559) 6.416 15.402 ( 18.881 0.102 3.045) 19.125 16.178 ( -4.257 -0.366 -2.603) 5.003 22.543 ( 1.800 3.390 0.650) 3.893 22.638 ( -0.302 -0.967 5.313) 5.408 22.794 ( -4.226 4.235 6.404) 8.764 22.832 ( -3.931 3.617 5.956) 8.001 23.699 ( 2.149 1.545 -1.598) 3.091 23.893 ( -4.174 -1.538 -0.104) 4.450 24.700 ( 13.504 -6.084 -3.619) 15.247 25.281 ( -2.615 -5.075 -9.254) 10.873 ======================= Grid point 87 (32/144) ======================= q-point: ( 0.43 0.10 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 350 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.958 ( 33.926 -7.775 -7.953) 35.702 2.340 ( 31.649 3.630 6.943) 32.604 2.620 ( -30.183 -8.840 -10.361) 33.113 2.980 ( -28.755 2.010 4.731) 29.211 3.776 ( 25.589 14.067 11.261) 31.297 4.027 ( 3.293 2.610 1.955) 4.635 4.240 ( 5.797 3.163 0.934) 6.670 4.562 ( -11.122 -0.430 -7.386) 13.358 5.004 ( -0.650 -4.871 -6.571) 8.205 5.193 ( -7.303 -0.648 -7.742) 10.663 6.236 ( 5.851 -2.289 -5.367) 8.264 6.382 ( 16.156 1.577 2.556) 16.432 6.422 ( 19.293 2.061 3.020) 19.636 6.862 ( 20.936 -6.719 0.246) 21.989 7.140 ( 2.591 -0.602 -3.291) 4.231 7.320 ( -27.714 -3.012 3.723) 28.125 7.709 ( -11.492 1.422 -10.372) 15.546 7.980 ( -26.235 -2.717 -5.165) 26.876 9.631 ( 8.759 -1.871 -3.300) 9.545 9.844 ( -7.517 -0.945 -3.602) 8.389 10.142 ( 2.300 -4.021 -1.315) 4.816 10.417 ( 4.105 2.058 5.804) 7.401 10.566 ( -0.265 10.098 -1.163) 10.168 10.723 ( -10.528 -1.634 2.320) 10.903 11.592 ( 8.768 -8.754 -10.847) 16.467 11.752 ( -2.443 -6.857 -9.799) 12.207 11.886 ( 3.996 1.694 -1.406) 4.562 12.045 ( -6.568 -6.072 -1.018) 9.003 12.798 ( 9.022 -3.844 0.916) 9.850 12.910 ( -0.977 -6.931 1.037) 7.076 13.072 ( 2.007 -1.962 3.251) 4.295 13.199 ( -7.721 0.831 2.811) 8.259 13.516 ( 2.497 6.421 8.570) 10.996 13.642 ( -2.657 5.195 3.696) 6.907 13.716 ( -0.865 6.471 3.351) 7.339 13.761 ( -2.201 7.044 5.346) 9.113 14.162 ( 6.857 2.202 3.213) 7.886 14.313 ( -6.922 1.682 3.440) 7.910 15.744 ( 13.823 -1.422 0.469) 13.904 16.036 ( -8.899 0.920 0.843) 8.986 22.587 ( 2.334 2.876 0.453) 3.732 22.628 ( -1.203 1.157 1.622) 2.327 22.739 ( -0.668 3.312 6.792) 7.586 22.769 ( -2.434 2.004 6.977) 7.656 23.742 ( 1.925 0.453 -1.416) 2.432 23.820 ( -2.672 1.148 0.164) 2.913 24.958 ( 11.589 -5.474 -4.899) 13.721 25.165 ( -8.223 -5.068 -6.426) 11.602 ======================= Grid point 91 (33/144) ======================= q-point: ( 0.00 0.20 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.137 ( 0.000 16.209 25.153) 29.923 1.620 ( 0.000 31.506 15.844) 35.266 1.914 ( 0.000 31.971 14.115) 34.948 3.425 ( 0.000 1.367 2.918) 3.222 3.644 ( 0.000 -8.168 -9.601) 12.605 3.990 ( 0.000 -0.045 -0.432) 0.434 4.153 ( 0.000 2.609 4.931) 5.578 4.544 ( 0.000 -2.453 -10.792) 11.068 4.815 ( 0.000 -29.208 1.583) 29.251 5.212 ( 0.000 1.860 -12.141) 12.283 5.577 ( 0.000 -5.398 -14.559) 15.527 5.773 ( 0.000 -3.042 -2.125) 3.711 6.110 ( 0.000 2.989 -4.166) 5.127 6.331 ( 0.000 0.081 2.840) 2.841 6.834 ( 0.000 10.182 2.593) 10.506 8.044 ( 0.000 -13.531 -16.371) 21.239 8.915 ( 0.000 0.037 -0.038) 0.053 9.158 ( 0.000 1.668 -0.787) 1.844 9.273 ( 0.000 -1.234 -5.793) 5.923 9.904 ( 0.000 -9.887 -1.937) 10.075 10.016 ( 0.000 -7.358 5.685) 9.298 10.285 ( 0.000 1.275 -10.366) 10.444 10.765 ( 0.000 -4.249 10.189) 11.040 10.833 ( 0.000 0.252 -10.037) 10.040 11.287 ( 0.000 -2.508 -9.258) 9.591 11.754 ( 0.000 5.229 1.177) 5.360 11.866 ( 0.000 -0.675 0.592) 0.898 12.079 ( 0.000 3.412 -4.142) 5.367 12.410 ( 0.000 -10.407 0.046) 10.407 12.753 ( 0.000 -3.779 13.478) 13.997 13.195 ( 0.000 5.433 0.029) 5.433 13.505 ( 0.000 4.687 2.200) 5.178 13.522 ( 0.000 1.631 -3.275) 3.659 13.801 ( 0.000 2.120 -1.642) 2.681 13.902 ( 0.000 -4.867 4.667) 6.744 14.278 ( 0.000 -1.383 5.240) 5.419 14.288 ( 0.000 9.362 6.736) 11.533 14.383 ( 0.000 -5.605 17.313) 18.197 14.828 ( 0.000 10.929 5.012) 12.024 16.247 ( 0.000 7.731 -11.044) 13.481 22.589 ( 0.000 3.339 2.988) 4.481 22.637 ( 0.000 1.036 5.521) 5.617 22.868 ( 0.000 -0.800 7.146) 7.191 23.385 ( 0.000 1.329 1.562) 2.051 23.495 ( 0.000 0.678 -2.060) 2.169 23.875 ( 0.000 1.376 5.349) 5.523 24.229 ( 0.000 -2.747 -2.624) 3.799 25.139 ( 0.000 -3.313 -8.519) 9.140 ======================= Grid point 92 (34/144) ======================= q-point: ( 0.14 0.20 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 350 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.210 ( -6.013 24.128 17.066) 30.159 1.379 ( 14.230 18.103 16.014) 28.047 2.590 ( 40.945 26.494 12.891) 50.444 3.408 ( -11.261 -5.080 -6.965) 14.182 3.667 ( 6.181 -4.335 0.591) 7.573 3.937 ( -3.651 -1.327 2.945) 4.875 4.113 ( -0.162 8.471 0.632) 8.496 4.541 ( 0.606 -5.747 -12.095) 13.405 4.902 ( 4.315 -19.219 -0.189) 19.699 5.200 ( 1.436 -2.833 -8.408) 8.988 5.583 ( -0.648 -7.233 -4.720) 8.661 5.823 ( 7.986 0.481 -8.600) 11.746 6.228 ( 8.272 2.196 -2.772) 8.996 6.335 ( 2.531 0.225 2.414) 3.505 6.820 ( -0.412 9.992 1.611) 10.129 7.992 ( -5.553 -11.802 -15.267) 20.080 8.723 ( -18.636 -1.503 -0.945) 18.720 8.965 ( -20.265 -4.000 0.776) 20.670 9.281 ( 5.196 2.851 -5.590) 8.147 9.920 ( -0.185 -7.485 -6.339) 9.810 10.073 ( 3.489 -6.259 2.454) 7.575 10.304 ( 2.343 2.848 -1.886) 4.142 10.680 ( -4.402 -5.298 4.781) 8.385 10.892 ( 2.417 0.104 -6.536) 6.969 11.348 ( 4.949 -3.543 -8.855) 10.745 11.691 ( -5.497 4.591 0.186) 7.165 11.856 ( -0.594 -1.111 -0.083) 1.263 12.037 ( -3.033 -0.406 -4.017) 5.049 12.468 ( 4.990 -6.491 0.051) 8.188 12.766 ( 1.350 -2.788 11.326) 11.742 13.159 ( -4.472 0.691 -0.897) 4.613 13.411 ( -2.480 4.440 5.645) 7.598 13.600 ( 2.305 3.631 -0.596) 4.342 13.795 ( -1.295 1.243 0.466) 1.854 13.909 ( -0.490 -1.345 2.729) 3.082 14.065 ( -12.178 2.945 10.862) 16.581 14.183 ( -4.908 8.466 6.545) 11.773 14.467 ( 2.587 -2.025 9.597) 10.144 15.063 ( 17.269 5.919 2.998) 18.499 16.250 ( -0.484 5.199 -8.660) 10.112 22.596 ( 0.693 3.248 3.081) 4.530 22.633 ( -0.264 1.096 5.009) 5.135 22.852 ( -1.417 -0.360 7.050) 7.200 23.156 ( -11.466 6.687 2.627) 13.530 23.659 ( 5.693 -0.783 -3.148) 6.552 23.887 ( 0.339 -0.490 3.618) 3.667 24.325 ( 9.453 -4.208 -2.309) 10.601 25.169 ( 1.692 -5.382 -8.398) 10.117 ======================= Grid point 93 (35/144) ======================= q-point: ( 0.29 0.20 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 350 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.333 ( 18.685 10.285 5.516) 22.031 1.847 ( 27.149 10.009 11.440) 31.115 2.977 ( -21.238 -9.060 -7.232) 24.196 3.418 ( 10.953 5.942 11.104) 16.690 3.536 ( 5.271 12.813 5.228) 14.808 4.020 ( 5.275 7.749 -6.267) 11.276 4.201 ( 6.412 1.455 1.780) 6.811 4.569 ( 1.271 -4.181 -13.578) 14.263 4.944 ( 0.696 -6.677 -0.208) 6.717 5.249 ( -0.541 -5.559 -8.395) 10.083 5.680 ( 15.742 -9.378 5.026) 19.000 6.102 ( 16.443 0.880 -7.216) 17.979 6.316 ( 4.403 -0.907 -0.678) 4.546 6.488 ( 7.398 -1.870 2.063) 7.905 6.901 ( 10.520 8.687 -3.135) 13.998 7.777 ( -17.281 -8.331 -9.078) 21.224 8.220 ( -28.082 0.402 -4.162) 28.392 8.451 ( -27.444 -5.554 -1.156) 28.024 9.437 ( 8.501 1.285 -2.848) 9.057 9.895 ( -2.223 -6.380 -6.368) 9.285 10.077 ( -1.532 -0.324 -1.139) 1.936 10.382 ( 4.304 4.750 4.602) 7.891 10.646 ( 0.790 -8.868 3.769) 9.668 10.883 ( -3.767 3.726 -6.254) 8.196 11.417 ( -0.217 -3.500 -10.845) 11.398 11.592 ( -2.105 -5.853 -3.919) 7.352 11.852 ( 0.800 -1.004 -0.853) 1.542 11.997 ( -0.891 -1.508 -3.387) 3.813 12.590 ( 6.509 -4.397 0.400) 7.866 12.796 ( 0.984 -1.963 6.835) 7.179 13.052 ( -3.817 -2.106 2.789) 5.175 13.389 ( -3.009 2.283 2.415) 4.483 13.568 ( -3.421 1.523 5.150) 6.368 13.750 ( -1.714 4.610 5.462) 7.350 13.887 ( -4.636 2.269 5.251) 7.363 13.912 ( 0.411 5.350 9.521) 10.929 14.166 ( 2.182 7.738 2.467) 8.410 14.457 ( -3.057 0.730 5.499) 6.334 15.425 ( 17.242 2.732 0.496) 17.464 16.200 ( -4.687 2.665 -4.297) 6.894 22.615 ( 1.005 2.593 3.339) 4.346 22.634 ( 0.501 1.122 3.667) 3.867 22.819 ( -1.587 1.137 6.585) 6.868 22.969 ( -7.090 7.382 3.083) 10.690 23.726 ( 1.870 0.573 -2.419) 3.111 23.874 ( -1.238 0.418 1.840) 2.257 24.569 ( 13.139 -6.663 -3.261) 15.089 25.160 ( -3.097 -7.001 -7.273) 10.559 ======================= Grid point 94 (36/144) ======================= q-point: ( 0.43 0.20 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 350 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.844 ( 28.764 -2.625 -1.853) 28.943 2.388 ( 5.180 -2.185 2.216) 6.043 2.481 ( -5.650 -0.660 0.402) 5.703 3.006 ( -25.420 1.314 7.844) 26.635 4.084 ( 7.501 11.196 -3.140) 13.837 4.131 ( 16.945 9.121 -1.982) 19.345 4.266 ( 1.941 0.760 1.231) 2.421 4.552 ( -4.948 0.058 -7.202) 8.738 4.923 ( -1.028 -2.916 -5.779) 6.554 5.172 ( -4.633 -0.815 -3.064) 5.614 6.144 ( 15.281 -8.934 0.797) 17.719 6.347 ( 9.885 -4.337 2.490) 11.078 6.453 ( 13.257 0.614 2.289) 13.467 6.761 ( 19.220 -3.724 -2.916) 19.794 7.092 ( -5.265 -3.503 -3.326) 7.145 7.281 ( -22.892 -0.448 0.864) 22.912 7.742 ( -11.028 1.822 -9.444) 14.633 7.946 ( -20.289 -0.196 -7.156) 21.515 9.591 ( 6.273 -2.083 -1.189) 6.716 9.789 ( -6.794 -4.161 0.958) 8.025 10.135 ( 5.795 2.324 -5.675) 8.438 10.430 ( -0.457 -0.221 3.550) 3.586 10.671 ( 1.418 -2.639 1.814) 3.503 10.770 ( -5.243 8.537 -2.591) 10.348 11.377 ( -1.527 -12.013 -14.637) 18.997 11.586 ( 0.029 -9.345 -5.861) 11.031 11.903 ( 3.632 -0.192 -1.896) 4.102 11.970 ( -2.268 -0.479 -2.641) 3.514 12.708 ( 4.441 -6.104 1.607) 7.717 12.783 ( -2.095 -5.002 2.822) 6.113 13.064 ( 4.991 0.624 3.552) 6.158 13.233 ( -9.390 1.691 1.708) 9.693 13.592 ( 4.183 1.331 11.079) 11.917 13.690 ( -4.562 1.203 8.864) 10.042 13.820 ( -1.184 5.827 0.373) 5.958 13.947 ( 1.307 7.897 10.174) 12.946 14.231 ( 3.476 4.595 1.946) 6.081 14.373 ( -4.118 4.326 3.488) 6.917 15.734 ( 11.683 1.028 -3.265) 12.174 16.067 ( -7.249 2.212 0.519) 7.597 22.629 ( 0.399 0.906 2.664) 2.842 22.652 ( 0.793 1.325 3.531) 3.854 22.801 ( 0.165 3.813 5.139) 6.401 22.858 ( -3.705 5.954 4.383) 8.269 23.753 ( 0.769 0.624 -2.228) 2.438 23.851 ( -0.789 1.872 1.712) 2.656 24.828 ( 11.652 -7.331 -4.703) 14.547 25.042 ( -8.164 -7.134 -5.614) 12.209 ======================= Grid point 98 (37/144) ======================= q-point: ( 0.00 0.30 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.491 ( 0.000 19.548 13.487) 23.749 2.218 ( 0.000 29.788 10.312) 31.522 2.384 ( 0.000 15.947 8.760) 18.194 3.356 ( 0.000 -19.665 -5.111) 20.318 3.413 ( 0.000 -3.341 4.475) 5.584 3.958 ( 0.000 -2.845 7.345) 7.877 4.275 ( 0.000 -24.929 2.742) 25.080 4.288 ( 0.000 8.656 -4.756) 9.877 4.595 ( 0.000 8.635 -2.237) 8.920 5.268 ( 0.000 4.075 -10.469) 11.234 5.380 ( 0.000 -14.318 -11.021) 18.069 5.717 ( 0.000 -3.168 -2.012) 3.753 6.241 ( 0.000 10.930 -6.763) 12.853 6.337 ( 0.000 0.224 0.235) 0.325 7.009 ( 0.000 7.706 -1.507) 7.852 7.711 ( 0.000 -20.013 -14.575) 24.758 8.921 ( 0.000 0.290 -1.021) 1.061 9.139 ( 0.000 -2.391 -0.967) 2.579 9.355 ( 0.000 8.121 -10.760) 13.480 9.664 ( 0.000 -12.950 1.605) 13.050 9.912 ( 0.000 -4.762 3.475) 5.895 10.183 ( 0.000 -9.730 -13.918) 16.982 10.795 ( 0.000 5.227 14.795) 15.691 10.812 ( 0.000 -1.675 -8.098) 8.269 11.273 ( 0.000 0.245 -17.894) 17.896 11.815 ( 0.000 0.881 -0.547) 1.038 11.869 ( 0.000 1.370 -1.980) 2.408 12.124 ( 0.000 0.834 -4.299) 4.379 12.262 ( 0.000 -4.617 3.586) 5.846 12.682 ( 0.000 -3.458 13.812) 14.238 13.234 ( 0.000 -0.221 3.717) 3.724 13.563 ( 0.000 2.480 -2.724) 3.684 13.628 ( 0.000 6.021 5.506) 8.159 13.801 ( 0.000 -4.078 7.248) 8.316 13.813 ( 0.000 -0.503 -0.435) 0.665 14.213 ( 0.000 -4.042 10.976) 11.696 14.332 ( 0.000 -0.736 13.437) 13.457 14.454 ( 0.000 7.402 6.649) 9.950 15.041 ( 0.000 10.270 2.481) 10.565 16.389 ( 0.000 6.569 -11.542) 13.281 22.607 ( 0.000 0.300 6.135) 6.142 22.701 ( 0.000 2.824 2.032) 3.479 22.866 ( 0.000 1.089 6.414) 6.506 23.414 ( 0.000 1.517 1.431) 2.086 23.500 ( 0.000 -0.006 -1.087) 1.087 23.945 ( 0.000 4.972 1.909) 5.325 24.172 ( 0.000 -2.958 -2.327) 3.764 25.047 ( 0.000 -5.556 -6.070) 8.229 ======================= Grid point 99 (38/144) ======================= q-point: ( 0.14 0.30 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 350 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.598 ( 5.603 18.044 13.323) 23.119 1.831 ( -7.810 24.829 8.896) 27.506 2.973 ( 26.079 11.595 5.028) 28.980 3.219 ( -5.744 -13.115 -1.153) 14.364 3.609 ( 10.705 -2.012 1.490) 10.994 3.890 ( -0.731 -3.447 6.656) 7.531 4.268 ( 1.097 -1.557 -5.029) 5.378 4.371 ( 4.207 -5.920 0.256) 7.267 4.666 ( 7.392 0.473 -0.705) 7.441 5.197 ( -3.818 0.372 -9.086) 9.863 5.427 ( 1.846 -7.662 -4.880) 9.270 5.776 ( 7.500 -4.825 -6.167) 10.842 6.290 ( 1.278 3.528 -2.570) 4.548 6.389 ( 6.580 6.009 -2.806) 9.342 6.987 ( -0.503 6.788 -2.857) 7.382 7.714 ( -0.811 -15.908 -13.449) 20.846 8.693 ( -19.766 -2.087 -0.233) 19.877 8.885 ( -22.186 -3.501 0.510) 22.466 9.385 ( 3.801 6.846 -9.200) 12.081 9.753 ( 3.135 -8.752 -4.875) 10.497 9.968 ( 5.996 -5.196 0.383) 7.944 10.238 ( 5.356 -7.712 -5.756) 11.013 10.669 ( -7.629 2.828 9.164) 12.255 10.899 ( 3.956 0.549 -5.755) 7.005 11.293 ( 1.003 -2.195 -15.674) 15.859 11.726 ( -7.305 -0.070 -1.339) 7.427 11.875 ( -0.380 2.778 0.756) 2.904 12.038 ( -4.197 0.359 -5.319) 6.784 12.361 ( 6.212 -4.882 1.813) 8.106 12.722 ( 3.442 -1.940 10.986) 11.674 13.146 ( -7.241 -1.127 4.714) 8.713 13.484 ( -4.084 2.988 2.464) 5.628 13.631 ( -2.672 -1.227 1.943) 3.524 13.823 ( 2.175 1.235 6.140) 6.630 13.884 ( 4.510 0.418 5.025) 6.765 14.114 ( -7.685 2.029 8.231) 11.442 14.285 ( -1.948 1.995 9.462) 9.864 14.469 ( 0.623 2.421 8.733) 9.083 15.205 ( 13.506 7.965 1.141) 15.721 16.361 ( -2.891 5.604 -9.864) 11.707 22.613 ( 0.576 0.296 6.169) 6.203 22.689 ( -0.963 2.209 2.173) 3.245 22.862 ( -0.308 1.681 6.067) 6.303 23.257 ( -8.989 3.969 1.500) 9.940 23.625 ( 5.924 -1.957 -1.087) 6.333 23.936 ( -0.813 4.189 1.764) 4.618 24.254 ( 7.769 -3.026 -2.530) 8.713 25.054 ( 0.135 -6.150 -6.152) 8.700 ======================= Grid point 100 (39/144) ======================= q-point: ( 0.29 0.30 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 350 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.617 ( 5.648 17.704 9.749) 20.985 2.074 ( 20.801 12.971 7.057) 25.509 2.809 ( -20.172 -7.616 -1.919) 21.647 3.383 ( -7.586 -3.253 7.555) 11.189 3.793 ( 15.779 4.009 -2.637) 16.492 4.055 ( 12.039 -1.284 -1.041) 12.152 4.340 ( 3.227 7.891 -1.532) 8.662 4.467 ( 7.224 -3.328 -5.036) 9.414 4.855 ( 8.142 -1.837 -1.487) 8.478 5.175 ( 1.602 -1.172 -7.010) 7.286 5.501 ( 10.236 -7.329 5.725) 13.830 6.050 ( 18.348 -7.651 -7.448) 21.228 6.294 ( 0.074 1.058 -0.582) 1.210 6.502 ( 3.217 2.022 -0.556) 3.840 7.076 ( 8.935 8.690 -7.572) 14.584 7.598 ( -12.788 -9.458 -7.713) 17.677 8.230 ( -24.074 0.298 -4.132) 24.428 8.344 ( -26.913 -5.081 -0.780) 27.399 9.477 ( 4.232 2.341 -3.244) 5.823 9.762 ( -0.930 -6.606 -5.766) 8.818 10.094 ( 4.997 1.534 -3.791) 6.457 10.397 ( 9.607 -6.901 1.296) 11.900 10.517 ( -6.192 0.580 7.732) 9.923 10.949 ( 0.061 2.343 -10.024) 10.294 11.268 ( -3.694 -8.830 -10.799) 14.431 11.560 ( -7.885 1.180 -5.147) 9.490 11.868 ( 0.786 2.313 0.789) 2.567 11.997 ( -0.544 0.398 -7.272) 7.303 12.483 ( 5.669 -5.778 3.039) 8.646 12.775 ( -0.145 -1.450 2.687) 3.056 13.022 ( -2.429 -0.578 9.431) 9.756 13.396 ( -5.781 -1.072 -0.530) 5.904 13.566 ( -1.801 -0.867 9.711) 9.914 13.794 ( -4.877 -1.824 12.988) 13.993 13.955 ( 0.502 5.997 4.928) 7.778 14.025 ( 1.041 6.142 5.107) 8.055 14.285 ( 1.402 4.150 3.129) 5.383 14.465 ( -0.887 0.061 8.313) 8.360 15.510 ( 15.268 5.618 -1.356) 16.325 16.268 ( -6.242 3.891 -6.210) 9.627 22.628 ( 0.743 0.272 5.918) 5.971 22.671 ( -0.671 0.997 2.764) 3.014 22.860 ( 0.301 2.933 5.169) 5.951 23.088 ( -7.340 4.842 2.279) 9.084 23.715 ( 3.262 -1.184 -1.353) 3.725 23.913 ( -1.437 2.838 1.705) 3.609 24.462 ( 11.739 -4.148 -3.429) 12.914 25.026 ( -3.401 -6.603 -5.906) 9.489 ======================= Grid point 101 (40/144) ======================= q-point: ( 0.43 0.30 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 350 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.885 ( 18.906 6.858 4.701) 20.654 2.306 ( -18.046 -2.451 1.298) 18.258 2.589 ( 18.374 8.576 5.268) 20.950 3.049 ( -20.657 3.186 6.297) 21.829 4.041 ( 8.331 -9.994 -5.452) 14.107 4.164 ( -2.642 -6.182 -3.645) 7.648 4.461 ( 6.986 10.049 -4.582) 13.069 4.602 ( 3.906 5.667 -4.669) 8.316 4.916 ( 0.186 3.307 -7.234) 7.956 5.190 ( -0.539 3.216 -1.116) 3.447 5.921 ( 23.382 -11.861 8.153) 27.457 6.226 ( -4.039 -7.733 2.212) 9.001 6.455 ( 14.324 -0.412 0.254) 14.332 6.687 ( 17.233 -4.370 -2.675) 17.978 7.035 ( -16.656 -2.156 -2.396) 16.965 7.292 ( -17.131 0.739 -3.523) 17.505 7.787 ( -7.181 3.197 -10.096) 12.795 7.971 ( -12.160 2.196 -9.663) 15.686 9.555 ( 3.671 -1.573 0.618) 4.042 9.707 ( -4.233 -4.019 2.637) 6.405 10.200 ( 5.370 4.001 -4.729) 8.199 10.408 ( -4.022 -2.026 3.737) 5.852 10.612 ( 9.600 -3.227 -1.684) 10.267 10.865 ( -7.598 0.098 -5.087) 9.144 11.199 ( -1.686 -4.723 -14.223) 15.081 11.441 ( -3.248 -5.042 -6.796) 9.064 11.911 ( 2.434 1.292 -4.257) 5.071 11.984 ( -0.980 1.019 -4.111) 4.348 12.591 ( 5.062 -5.373 3.904) 8.351 12.699 ( -5.403 -3.913 2.062) 6.983 13.081 ( 6.485 0.752 5.896) 8.797 13.243 ( -8.302 -0.654 1.149) 8.407 13.586 ( 3.157 -1.386 13.490) 13.924 13.680 ( -5.413 -2.242 14.773) 15.892 13.951 ( -0.067 7.455 0.764) 7.494 14.064 ( 1.134 4.909 8.042) 9.490 14.315 ( 1.078 3.776 1.833) 4.333 14.445 ( -0.693 2.338 6.603) 7.039 15.792 ( 11.045 4.669 -5.328) 13.122 16.115 ( -7.714 2.556 -1.369) 8.241 22.638 ( 0.200 0.256 4.163) 4.176 22.665 ( 0.015 0.100 4.887) 4.888 22.883 ( 2.081 4.094 3.799) 5.960 22.963 ( -4.787 4.514 3.350) 7.384 23.766 ( 1.617 0.806 -1.929) 2.643 23.883 ( -1.157 1.238 2.249) 2.816 24.700 ( 10.904 -5.349 -4.762) 13.046 24.910 ( -7.698 -6.162 -4.929) 11.024 ======================= Grid point 105 (41/144) ======================= q-point: ( 0.00 0.40 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.870 ( 0.000 19.164 6.017) 20.086 2.542 ( 0.000 0.825 4.656) 4.729 2.737 ( 0.000 23.032 7.048) 24.087 2.968 ( 0.000 -17.816 2.046) 17.933 3.283 ( 0.000 -9.479 5.856) 11.142 3.896 ( 0.000 -3.172 6.366) 7.113 3.913 ( 0.000 -12.105 4.003) 12.749 4.414 ( 0.000 4.320 -1.995) 4.759 4.861 ( 0.000 16.314 -1.097) 16.351 5.091 ( 0.000 -13.524 -8.315) 15.876 5.336 ( 0.000 1.455 -7.051) 7.199 5.648 ( 0.000 -3.562 -4.949) 6.097 6.337 ( 0.000 -0.085 -0.119) 0.146 6.516 ( 0.000 16.988 -9.296) 19.365 7.124 ( 0.000 4.073 -3.825) 5.587 7.305 ( 0.000 -21.452 -13.076) 25.123 8.922 ( 0.000 -0.114 -2.425) 2.427 9.098 ( 0.000 -1.663 -0.539) 1.748 9.450 ( 0.000 -8.415 2.710) 8.840 9.538 ( 0.000 10.282 -12.817) 16.431 9.828 ( 0.000 -3.631 2.963) 4.686 9.976 ( 0.000 -10.954 -14.758) 18.379 10.787 ( 0.000 -0.833 -4.873) 4.943 10.894 ( 0.000 4.133 14.720) 15.289 11.275 ( 0.000 -0.171 -24.850) 24.850 11.801 ( 0.000 -1.481 -0.980) 1.776 11.926 ( 0.000 4.374 -4.366) 6.180 12.105 ( 0.000 -2.798 -5.244) 5.944 12.221 ( 0.000 -0.359 6.522) 6.532 12.625 ( 0.000 -2.215 13.137) 13.322 13.224 ( 0.000 -0.459 7.679) 7.692 13.611 ( 0.000 2.284 -2.367) 3.289 13.622 ( 0.000 -3.935 6.814) 7.869 13.793 ( 0.000 -1.304 0.252) 1.329 13.849 ( 0.000 6.632 9.907) 11.922 14.129 ( 0.000 -4.795 11.498) 12.458 14.337 ( 0.000 0.932 12.868) 12.902 14.565 ( 0.000 4.017 6.707) 7.818 15.200 ( 0.000 5.856 1.118) 5.962 16.488 ( 0.000 3.529 -11.272) 11.812 22.617 ( 0.000 0.656 5.058) 5.101 22.718 ( 0.000 -0.452 4.193) 4.217 22.908 ( 0.000 2.439 4.385) 5.017 23.440 ( 0.000 1.070 1.310) 1.691 23.499 ( 0.000 -0.027 -0.474) 0.474 24.038 ( 0.000 4.091 0.613) 4.137 24.122 ( 0.000 -1.972 -2.072) 2.860 24.946 ( 0.000 -4.319 -4.776) 6.439 ======================= Grid point 106 (42/144) ======================= q-point: ( 0.14 0.40 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 350 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.950 ( 5.958 18.353 6.115) 20.241 2.228 ( -10.830 14.976 7.872) 20.089 2.826 ( -5.976 -19.205 -0.410) 20.118 3.219 ( 19.847 8.215 5.918) 22.281 3.535 ( 17.423 -5.060 4.046) 18.589 3.786 ( 0.778 -7.271 6.439) 9.743 4.057 ( 6.351 -7.857 -3.187) 10.593 4.457 ( 5.651 4.589 2.822) 7.807 4.763 ( -5.233 3.145 -0.806) 6.158 5.174 ( 4.363 1.484 -6.284) 7.793 5.371 ( 2.735 0.225 -6.545) 7.097 5.671 ( 4.151 -5.277 -5.931) 8.959 6.327 ( -0.311 0.761 0.005) 0.822 6.570 ( 1.502 11.480 -7.487) 13.788 7.054 ( 0.966 -0.919 -7.076) 7.200 7.434 ( 6.513 -11.176 -11.079) 17.032 8.638 ( -21.923 -3.084 0.306) 22.141 8.844 ( -22.135 -0.905 -0.008) 22.153 9.507 ( 1.417 4.327 -9.745) 10.756 9.618 ( 3.796 -3.967 -4.894) 7.355 9.871 ( 8.570 -4.406 -1.005) 9.688 10.097 ( 8.551 -5.807 -6.206) 12.056 10.711 ( -6.931 1.021 4.924) 8.563 10.928 ( 3.066 2.233 0.958) 3.912 11.253 ( -3.288 -2.003 -21.139) 21.486 11.733 ( -5.358 0.871 -1.890) 5.748 11.930 ( -0.257 2.886 -1.305) 3.178 12.039 ( -3.814 -0.795 -7.092) 8.092 12.284 ( 4.539 -2.817 5.568) 7.716 12.687 ( 4.656 -1.609 8.728) 10.022 13.130 ( -7.367 -0.487 8.443) 11.216 13.501 ( -6.781 -1.616 -1.693) 7.174 13.620 ( -2.120 1.776 9.824) 10.206 13.791 ( -1.032 -3.100 9.063) 9.633 13.954 ( 7.075 4.443 4.162) 9.334 14.131 ( 0.051 -0.548 7.373) 7.394 14.302 ( -1.200 0.726 11.710) 11.793 14.527 ( -3.346 2.626 7.028) 8.215 15.338 ( 11.791 5.220 0.296) 12.898 16.448 ( -3.892 3.209 -10.146) 11.330 22.622 ( 0.466 0.555 5.162) 5.212 22.702 ( -1.353 -0.369 4.258) 4.483 22.907 ( 0.005 2.303 4.390) 4.957 23.313 ( -7.750 1.963 1.271) 8.095 23.597 ( 5.204 -0.913 -0.038) 5.283 24.007 ( -2.115 2.491 0.622) 3.326 24.217 ( 7.910 -0.664 -2.492) 8.320 24.948 ( -0.232 -4.417 -4.955) 6.642 ======================= Grid point 107 (43/144) ======================= q-point: ( 0.29 0.40 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 350 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.976 ( 0.465 18.679 8.685) 20.604 2.299 ( 11.630 8.764 4.957) 15.383 2.675 ( -7.499 -7.578 1.249) 10.735 3.341 ( -4.741 0.227 7.484) 8.862 3.732 ( 2.037 -6.131 -1.838) 6.717 3.984 ( 8.721 -7.276 -0.840) 11.388 4.259 ( 13.538 -5.329 -9.330) 17.284 4.619 ( 7.464 8.177 2.493) 11.349 4.837 ( 15.177 -1.319 4.534) 15.895 5.228 ( 1.432 6.348 -7.486) 9.919 5.425 ( 5.245 -1.207 0.799) 5.441 5.886 ( 15.971 -7.357 -5.831) 18.525 6.333 ( 0.967 2.026 0.290) 2.264 6.522 ( -3.257 -0.241 -2.787) 4.293 7.219 ( 9.189 5.995 -10.566) 15.232 7.438 ( -7.427 -6.690 -7.482) 12.486 8.207 ( -17.016 -2.517 -3.640) 17.582 8.286 ( -29.548 -0.854 -1.490) 29.598 9.513 ( -0.247 1.187 -2.366) 2.659 9.657 ( 1.219 -3.927 -5.567) 6.920 10.119 ( 12.290 0.431 -2.891) 12.633 10.265 ( 7.605 -4.366 0.324) 8.776 10.546 ( -7.424 0.837 5.349) 9.188 10.987 ( -0.128 2.219 -11.555) 11.767 11.133 ( -5.343 -5.383 -9.817) 12.406 11.592 ( -9.041 1.656 -7.016) 11.563 11.920 ( 0.348 2.550 -0.862) 2.714 12.001 ( -0.312 -0.024 -9.164) 9.169 12.390 ( 5.717 -3.537 6.397) 9.280 12.736 ( -1.719 -2.079 -0.759) 2.802 13.022 ( -0.900 0.245 13.051) 13.085 13.361 ( -6.893 -2.127 -1.611) 7.391 13.570 ( -1.986 1.741 14.062) 14.308 13.723 ( -4.983 -4.631 15.918) 17.311 14.057 ( 2.175 3.773 3.045) 5.314 14.141 ( 1.229 5.202 4.971) 7.300 14.329 ( 2.773 0.775 6.077) 6.724 14.462 ( -1.961 -0.192 7.716) 7.964 15.613 ( 14.132 4.386 -1.603) 14.883 16.332 ( -7.354 2.500 -7.508) 10.802 22.634 ( 0.632 0.333 5.297) 5.345 22.674 ( -1.106 -0.267 4.516) 4.657 22.913 ( 0.745 2.165 4.207) 4.790 23.156 ( -7.308 2.278 2.154) 7.952 23.696 ( 4.575 -0.683 -0.098) 4.627 23.957 ( -2.830 1.451 0.777) 3.274 24.414 ( 10.728 -1.009 -3.507) 11.332 24.918 ( -3.092 -4.249 -5.089) 7.315 ======================= Grid point 108 (44/144) ======================= q-point: ( 0.43 0.40 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 350 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.079 ( 9.229 11.658 7.323) 16.574 2.307 ( -10.797 1.324 5.063) 11.999 2.767 ( 15.915 8.674 3.512) 18.463 3.122 ( -15.272 4.090 5.489) 16.736 3.810 ( 6.563 -11.899 -3.923) 14.144 3.965 ( -6.818 -12.544 -3.150) 14.620 4.519 ( 10.458 -0.676 -7.895) 13.121 4.697 ( -2.131 1.982 -2.591) 3.896 5.074 ( 4.456 11.013 -8.574) 14.651 5.275 ( 2.279 3.960 -3.935) 6.030 5.750 ( 24.343 -5.266 9.875) 26.793 6.093 ( -3.777 -5.067 4.158) 7.565 6.439 ( 9.776 -0.894 0.187) 9.818 6.586 ( 10.111 -5.875 -1.486) 11.788 7.010 ( -14.128 -0.558 -3.139) 14.483 7.291 ( -20.260 -0.695 -5.173) 20.921 7.864 ( -1.413 4.242 -11.906) 12.718 8.006 ( -6.822 1.048 -11.668) 13.556 9.534 ( 2.556 -0.472 2.604) 3.680 9.641 ( -2.912 -2.698 3.421) 5.240 10.279 ( 3.171 3.950 -2.398) 5.605 10.364 ( 0.263 -2.084 4.214) 4.709 10.547 ( 9.717 -3.332 -4.105) 11.062 10.812 ( -12.561 -3.342 -8.693) 15.637 11.177 ( 5.777 0.543 -11.836) 13.182 11.389 ( -9.204 -0.885 -10.603) 14.068 11.947 ( 1.484 2.174 -5.646) 6.230 11.997 ( -0.340 0.186 -5.726) 5.739 12.510 ( 6.031 -2.920 5.695) 8.794 12.637 ( -6.260 -2.387 1.639) 6.898 13.087 ( 5.642 -0.034 7.427) 9.327 13.219 ( -6.883 -1.356 1.317) 7.138 13.560 ( 1.235 -0.745 16.060) 16.125 13.621 ( -4.341 -3.319 17.061) 17.915 14.080 ( 0.804 5.185 3.164) 6.127 14.144 ( -0.833 3.332 5.739) 6.688 14.374 ( 1.310 2.459 3.328) 4.341 14.457 ( 0.585 -0.837 7.098) 7.171 15.886 ( 11.829 4.307 -4.448) 13.352 16.156 ( -9.378 1.478 -4.042) 10.318 22.643 ( 0.186 0.303 4.776) 4.789 22.661 ( -0.188 -0.360 5.378) 5.394 22.945 ( 2.546 2.205 3.653) 4.969 23.027 ( -5.169 2.136 3.124) 6.406 23.783 ( 3.639 0.837 -0.653) 3.791 23.894 ( -3.053 -0.066 1.305) 3.321 24.630 ( 9.898 -2.012 -4.546) 11.076 24.814 ( -6.913 -3.542 -4.677) 9.067 ======================= Grid point 112 (45/144) ======================= q-point: ( 0.00 -0.50 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.134 ( 0.000 0.000 2.178) 2.178 2.461 ( 0.000 0.000 -1.427) 1.427 2.795 ( 0.000 0.000 11.480) 11.480 3.054 ( 0.000 0.000 6.925) 6.925 3.101 ( 0.000 -0.000 4.741) 4.741 3.796 ( 0.000 0.000 5.280) 5.280 3.860 ( 0.000 0.000 4.721) 4.721 4.456 ( 0.000 0.000 0.442) 0.442 4.944 ( 0.000 0.000 -7.511) 7.511 5.076 ( 0.000 0.000 -2.088) 2.088 5.313 ( 0.000 0.000 -4.010) 4.010 5.610 ( 0.000 0.000 -7.640) 7.640 6.336 ( 0.000 0.000 0.147) 0.147 6.830 ( 0.000 -0.000 -10.576) 10.576 6.949 ( 0.000 0.000 -12.081) 12.081 7.163 ( 0.000 0.000 -4.592) 4.592 8.921 ( 0.000 0.000 -3.206) 3.206 9.081 ( 0.000 0.000 -0.196) 0.196 9.365 ( 0.000 0.000 2.928) 2.928 9.704 ( 0.000 0.000 -10.223) 10.223 9.790 ( 0.000 0.000 2.903) 2.903 9.805 ( 0.000 -0.000 -18.270) 18.270 10.779 ( 0.000 0.000 -3.491) 3.491 10.936 ( 0.000 0.000 14.494) 14.494 11.271 ( 0.000 0.000 -27.188) 27.188 11.783 ( 0.000 0.000 -0.598) 0.598 12.015 ( 0.000 0.000 -12.153) 12.153 12.032 ( 0.000 0.000 0.860) 0.860 12.221 ( 0.000 0.000 7.402) 7.402 12.603 ( 0.000 0.000 12.687) 12.687 13.220 ( 0.000 0.000 8.503) 8.503 13.578 ( 0.000 0.000 9.020) 9.020 13.637 ( 0.000 0.000 -2.370) 2.370 13.776 ( 0.000 0.000 0.601) 0.601 13.944 ( 0.000 0.000 10.249) 10.249 14.056 ( 0.000 -0.000 10.965) 10.965 14.349 ( 0.000 0.000 12.919) 12.919 14.605 ( 0.000 0.000 6.718) 6.718 15.257 ( 0.000 0.000 0.718) 0.718 16.523 ( 0.000 0.000 -11.135) 11.135 22.625 ( 0.000 -0.000 4.398) 4.398 22.709 ( 0.000 0.000 5.111) 5.111 22.934 ( 0.000 0.000 3.774) 3.774 23.451 ( 0.000 0.000 1.259) 1.259 23.499 ( 0.000 0.000 -0.263) 0.263 24.082 ( 0.000 0.000 0.261) 0.261 24.102 ( 0.000 0.000 -1.970) 1.970 24.901 ( 0.000 0.000 -4.337) 4.337 ======================= Grid point 114 (46/144) ======================= q-point: ( 0.14 -0.50 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 210 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.213 ( 6.468 0.000 1.723) 6.693 2.399 ( -3.115 0.000 0.437) 3.146 2.523 ( -11.849 -0.000 10.637) 15.923 3.303 ( 15.911 0.000 4.851) 16.634 3.522 ( 25.325 0.000 4.323) 25.691 3.665 ( -4.926 0.000 7.595) 9.053 3.986 ( 6.881 0.000 -4.123) 8.021 4.506 ( 6.743 0.000 5.352) 8.608 4.751 ( -8.831 0.000 -2.322) 9.131 5.287 ( 9.542 0.000 -6.953) 11.807 5.330 ( 1.810 -0.000 -3.812) 4.220 5.611 ( 2.173 0.000 -7.319) 7.635 6.333 ( 0.160 0.000 0.503) 0.528 6.736 ( -13.090 0.000 -7.069) 14.877 6.982 ( 13.513 0.000 -11.212) 17.559 7.335 ( 8.582 0.000 -8.720) 12.235 8.603 ( -22.908 0.000 0.550) 22.915 8.838 ( -22.025 0.000 -0.228) 22.027 9.520 ( 7.534 0.000 -7.308) 10.496 9.615 ( -6.622 0.000 -6.605) 9.353 9.822 ( 11.710 0.000 -2.031) 11.885 10.037 ( 11.363 0.000 -6.839) 13.262 10.718 ( -6.243 0.000 3.436) 7.126 10.956 ( 2.498 0.000 4.366) 5.030 11.230 ( -5.075 0.000 -23.710) 24.247 11.745 ( -3.630 0.000 -2.339) 4.319 11.978 ( -3.708 0.000 0.940) 3.825 12.010 ( -0.462 0.000 -11.554) 11.563 12.258 ( 3.463 0.000 7.711) 8.453 12.669 ( 4.802 0.000 7.720) 9.091 13.126 ( -7.274 0.000 9.287) 11.796 13.475 ( -6.826 0.000 0.173) 6.828 13.658 ( -0.372 0.000 10.106) 10.113 13.745 ( -3.748 0.000 9.489) 10.202 14.007 ( 5.344 0.000 3.979) 6.662 14.114 ( 4.750 -0.000 7.556) 8.925 14.313 ( -1.843 0.000 11.973) 12.114 14.553 ( -4.508 0.000 6.671) 8.052 15.390 ( 11.410 0.000 0.091) 11.411 16.480 ( -4.153 0.000 -10.186) 11.000 22.629 ( 0.340 -0.000 4.513) 4.526 22.695 ( -1.214 0.000 5.147) 5.288 22.932 ( -0.157 0.000 3.929) 3.932 23.332 ( -7.416 0.000 1.224) 7.516 23.589 ( 4.934 0.000 0.274) 4.941 24.028 ( -2.586 0.000 0.129) 2.589 24.216 ( 8.024 0.000 -2.313) 8.351 24.902 ( -0.241 0.000 -4.545) 4.551 ======================= Grid point 116 (47/144) ======================= q-point: ( 0.29 -0.50 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 210 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.244 ( -2.700 0.000 7.105) 7.601 2.361 ( -1.526 0.000 2.481) 2.913 2.546 ( 12.733 0.000 4.962) 13.665 3.373 ( -5.792 0.000 7.776) 9.696 3.664 ( -0.392 0.000 0.866) 0.950 3.868 ( 5.064 0.000 -1.347) 5.240 4.214 ( 15.332 0.000 -12.250) 19.625 4.701 ( 3.616 0.000 1.603) 3.956 4.810 ( 22.852 0.000 9.546) 24.766 5.333 ( -2.362 -0.000 -9.078) 9.380 5.404 ( 6.493 0.000 -1.527) 6.670 5.809 ( 15.909 0.000 -5.030) 16.685 6.356 ( 2.202 0.000 0.989) 2.414 6.511 ( -7.870 0.000 -3.029) 8.433 7.296 ( 14.203 0.000 -12.060) 18.632 7.355 ( -9.997 0.000 -7.274) 12.363 8.177 ( -14.877 -0.000 -3.134) 15.203 8.281 ( -29.543 0.000 -2.187) 29.624 9.523 ( -2.230 0.000 -1.779) 2.852 9.618 ( 2.529 0.000 -5.434) 5.994 10.114 ( 15.115 0.000 1.355) 15.176 10.234 ( 7.391 0.000 -4.710) 8.764 10.551 ( -8.493 0.000 5.006) 9.858 11.042 ( 5.723 -0.000 -6.547) 8.696 11.050 ( -11.886 0.000 -15.312) 19.384 11.610 ( -9.817 0.000 -7.447) 12.322 11.948 ( 0.983 0.000 -1.622) 1.897 11.999 ( -0.509 0.000 -10.076) 10.089 12.354 ( 5.757 0.000 8.028) 9.879 12.713 ( -2.086 0.000 -1.643) 2.655 13.025 ( -0.574 0.000 13.644) 13.657 13.336 ( -6.647 0.000 -1.151) 6.746 13.621 ( -2.702 0.000 15.604) 15.836 13.644 ( -5.155 -0.000 16.163) 16.965 14.094 ( 2.417 0.000 2.672) 3.603 14.197 ( 2.048 0.000 4.649) 5.080 14.332 ( 3.660 0.000 8.388) 9.151 14.460 ( -3.372 0.000 6.505) 7.327 15.658 ( 13.838 0.000 -1.471) 13.916 16.357 ( -7.712 0.000 -7.969) 11.089 22.638 ( 0.507 0.000 4.807) 4.833 22.670 ( -1.021 0.000 5.262) 5.360 22.935 ( 0.663 0.000 4.022) 4.076 23.178 ( -7.328 0.000 2.162) 7.641 23.689 ( 5.008 0.000 0.360) 5.021 23.970 ( -3.325 0.000 0.281) 3.337 24.408 ( 10.248 -0.000 -3.422) 10.804 24.874 ( -2.808 0.000 -4.809) 5.569 ======================= Grid point 118 (48/144) ======================= q-point: ( 0.43 -0.50 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 210 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.237 ( 2.160 0.000 7.776) 8.070 2.307 ( -3.755 0.000 5.505) 6.663 2.863 ( 16.620 0.000 3.801) 17.049 3.179 ( -13.246 0.000 5.920) 14.508 3.675 ( 3.848 0.000 -3.121) 4.955 3.806 ( -7.254 0.000 -3.467) 8.040 4.506 ( 12.613 0.000 -8.193) 15.040 4.708 ( -5.775 0.000 -3.342) 6.672 5.213 ( 10.492 0.000 -5.041) 11.640 5.303 ( -0.997 0.000 -8.249) 8.309 5.706 ( 23.701 0.000 9.136) 25.401 6.045 ( -2.036 0.000 4.939) 5.343 6.437 ( 6.423 0.000 1.049) 6.508 6.507 ( 7.369 0.000 -0.892) 7.423 7.006 ( -12.113 0.000 -3.839) 12.707 7.281 ( -21.398 0.000 -5.555) 22.107 7.915 ( 0.441 0.000 -12.558) 12.566 8.012 ( -5.001 0.000 -12.639) 13.593 9.532 ( 3.009 0.000 4.003) 5.008 9.612 ( -3.219 0.000 3.311) 4.618 10.329 ( 2.119 0.000 -0.939) 2.318 10.340 ( 2.325 0.000 4.533) 5.095 10.506 ( 9.380 0.000 -5.721) 10.987 10.778 ( -14.183 0.000 -9.100) 16.851 11.184 ( 8.267 0.000 -12.174) 14.716 11.384 ( -11.148 0.000 -11.909) 16.312 11.978 ( 1.191 0.000 -4.938) 5.080 11.991 ( -0.315 0.000 -7.799) 7.805 12.482 ( 6.481 0.000 6.431) 9.130 12.613 ( -6.249 0.000 1.481) 6.422 13.085 ( 5.086 0.000 7.951) 9.439 13.204 ( -6.288 0.000 1.576) 6.483 13.568 ( -1.834 -0.000 17.676) 17.771 13.570 ( -1.740 0.000 17.226) 17.314 14.131 ( 1.945 0.000 4.390) 4.802 14.181 ( -2.576 0.000 4.710) 5.368 14.409 ( 2.774 0.000 5.523) 6.180 14.435 ( -0.172 0.000 5.430) 5.432 15.932 ( 12.696 0.000 -3.363) 13.134 16.170 ( -10.535 0.000 -5.528) 11.898 22.648 ( 0.426 -0.000 5.133) 5.151 22.656 ( -0.452 0.000 5.306) 5.325 22.966 ( 2.614 0.000 3.739) 4.562 23.047 ( -5.297 0.000 3.094) 6.134 23.793 ( 5.043 0.000 0.329) 5.054 23.890 ( -4.427 0.000 0.286) 4.436 24.613 ( 9.450 -0.000 -4.235) 10.355 24.779 ( -6.543 0.000 -4.717) 8.066 ======================= Grid point 154 (49/144) ======================= q-point: ( 0.00 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.951 ( 0.000 0.000 22.324) 22.324 1.466 ( 0.000 0.000 34.898) 34.898 2.279 ( 0.000 0.000 49.248) 49.248 3.396 ( 0.000 0.000 1.002) 1.002 3.445 ( 0.000 0.000 -10.512) 10.512 3.786 ( 0.000 0.000 -11.095) 11.095 4.222 ( 0.000 0.000 -0.509) 0.509 4.366 ( 0.000 0.000 -13.308) 13.308 5.157 ( 0.000 0.000 -24.115) 24.115 5.189 ( 0.000 0.000 6.934) 6.934 5.490 ( 0.000 0.000 -19.869) 19.869 5.727 ( 0.000 0.000 4.168) 4.168 5.816 ( 0.000 0.000 -10.943) 10.943 6.627 ( 0.000 0.000 9.755) 9.755 6.637 ( 0.000 0.000 2.666) 2.666 7.762 ( 0.000 0.000 -27.999) 27.999 8.939 ( 0.000 0.000 -1.936) 1.936 9.145 ( 0.000 0.000 -1.127) 1.127 9.480 ( 0.000 0.000 4.831) 4.831 9.927 ( 0.000 0.000 -5.162) 5.162 10.015 ( 0.000 0.000 -6.245) 6.245 10.254 ( 0.000 0.000 -5.136) 5.136 10.716 ( 0.000 0.000 1.305) 1.305 11.078 ( 0.000 0.000 2.696) 2.696 11.432 ( 0.000 0.000 -6.768) 6.768 11.620 ( 0.000 0.000 3.004) 3.004 11.819 ( 0.000 0.000 -5.589) 5.589 11.851 ( 0.000 0.000 -1.617) 1.617 12.813 ( 0.000 0.000 -2.816) 2.816 12.929 ( 0.000 0.000 8.314) 8.314 13.150 ( 0.000 0.000 3.934) 3.934 13.195 ( 0.000 0.000 3.474) 3.474 13.478 ( 0.000 0.000 -2.992) 2.992 13.535 ( 0.000 0.000 -2.596) 2.596 14.020 ( 0.000 0.000 3.303) 3.303 14.227 ( 0.000 0.000 1.398) 1.398 14.285 ( 0.000 0.000 14.116) 14.116 14.788 ( 0.000 0.000 10.383) 10.383 14.854 ( 0.000 0.000 11.569) 11.569 16.072 ( 0.000 0.000 -1.284) 1.284 22.488 ( 0.000 0.000 1.117) 1.117 22.708 ( 0.000 0.000 -1.294) 1.294 23.084 ( 0.000 0.000 12.040) 12.040 23.408 ( 0.000 0.000 3.444) 3.444 23.475 ( 0.000 0.000 2.965) 2.965 24.181 ( 0.000 0.000 -2.875) 2.875 24.203 ( 0.000 0.000 -5.478) 5.478 24.857 ( 0.000 0.000 -6.779) 6.779 ======================= Grid point 155 (50/144) ======================= q-point: ( 0.14 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 216 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.206 ( 22.322 0.000 16.669) 27.859 1.571 ( 3.664 0.000 34.426) 34.621 2.559 ( 29.884 0.000 41.054) 50.778 3.367 ( -7.445 0.000 -7.434) 10.521 3.448 ( -0.371 0.000 -10.138) 10.145 3.885 ( 11.974 0.000 -0.803) 12.001 4.127 ( -7.810 0.000 1.379) 7.931 4.350 ( -0.795 0.000 -13.886) 13.908 5.082 ( -2.690 0.000 -8.468) 8.885 5.338 ( -11.196 0.000 -18.499) 21.623 5.341 ( 10.218 0.000 -11.999) 15.760 5.843 ( 10.834 0.000 6.972) 12.883 6.018 ( 15.462 0.000 -11.207) 19.096 6.592 ( -2.238 0.000 3.277) 3.968 6.649 ( 2.502 0.000 9.862) 10.174 7.726 ( -3.875 0.000 -26.260) 26.544 8.726 ( -20.267 0.000 -2.538) 20.425 8.979 ( -16.695 0.000 -3.248) 17.008 9.445 ( -1.562 0.000 3.958) 4.255 9.876 ( 0.069 0.000 -7.079) 7.079 10.184 ( 9.091 0.000 -2.150) 9.342 10.271 ( 1.368 0.000 -2.906) 3.212 10.612 ( -8.408 0.000 2.245) 8.702 11.155 ( 6.563 0.000 -1.576) 6.749 11.361 ( -9.528 0.000 2.387) 9.822 11.552 ( 0.161 0.000 -9.426) 9.427 11.777 ( -4.941 0.000 2.642) 5.603 11.986 ( 10.580 0.000 -5.336) 11.849 12.776 ( -2.979 0.000 -0.337) 2.998 12.916 ( -0.479 0.000 5.030) 5.053 13.162 ( 2.230 0.000 2.602) 3.427 13.193 ( -0.221 0.000 2.810) 2.818 13.488 ( 1.057 0.000 -2.654) 2.857 13.609 ( 3.888 0.000 -2.676) 4.720 13.968 ( -4.477 0.000 3.103) 5.447 14.073 ( -11.866 0.000 3.893) 12.488 14.246 ( -1.885 0.000 18.730) 18.824 14.687 ( -3.737 0.000 12.310) 12.865 15.128 ( 17.462 0.000 7.255) 18.909 16.120 ( 2.806 0.000 -3.786) 4.713 22.496 ( 0.771 0.000 1.015) 1.275 22.694 ( -1.334 0.000 -1.174) 1.778 23.061 ( -2.127 0.000 11.771) 11.961 23.162 ( -12.744 0.000 12.104) 17.576 23.593 ( 4.100 0.000 -0.679) 4.156 24.012 ( -7.573 0.000 -2.924) 8.118 24.416 ( 11.611 0.000 -5.415) 12.812 24.990 ( 8.716 0.000 -11.846) 14.707 ======================= Grid point 156 (51/144) ======================= q-point: ( 0.29 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 216 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.686 ( 11.590 0.000 27.512) 29.854 1.753 ( 29.479 0.000 9.419) 30.947 3.064 ( -20.502 0.000 -8.398) 22.155 3.231 ( 11.253 0.000 4.187) 12.007 3.440 ( 16.131 0.000 16.292) 22.926 4.012 ( -0.582 0.000 1.448) 1.560 4.155 ( 9.237 0.000 3.627) 9.923 4.353 ( 1.337 0.000 -12.458) 12.530 5.045 ( -2.520 0.000 -10.172) 10.480 5.101 ( -11.394 0.000 -17.668) 21.024 5.638 ( 21.164 0.000 -10.611) 23.675 6.119 ( 14.641 0.000 6.160) 15.884 6.275 ( 5.301 0.000 -6.058) 8.050 6.691 ( 15.553 0.000 -4.045) 16.070 6.757 ( 8.984 0.000 9.547) 13.109 7.591 ( -9.596 0.000 -20.843) 22.946 8.157 ( -33.895 0.000 -1.609) 33.933 8.503 ( -28.256 0.000 -5.295) 28.748 9.455 ( 2.679 0.000 -0.483) 2.722 9.901 ( -0.622 0.000 -2.376) 2.456 10.267 ( -0.571 0.000 -3.381) 3.429 10.302 ( 1.676 0.000 1.482) 2.237 10.499 ( -0.082 0.000 5.193) 5.194 11.103 ( -14.381 0.000 3.356) 14.768 11.299 ( 6.954 0.000 -7.920) 10.540 11.583 ( 1.061 0.000 -12.844) 12.888 11.746 ( 2.850 0.000 2.732) 3.948 12.127 ( 1.025 0.000 -9.004) 9.062 12.756 ( 3.026 0.000 4.870) 5.733 12.928 ( 1.389 0.000 0.621) 1.521 13.186 ( -0.449 0.000 1.224) 1.304 13.231 ( 3.623 0.000 1.647) 3.980 13.527 ( 2.870 0.000 -1.425) 3.204 13.607 ( -3.572 0.000 0.308) 3.585 13.836 ( -10.392 0.000 5.262) 11.649 13.866 ( -5.515 0.000 1.412) 5.693 14.267 ( 4.169 0.000 21.306) 21.710 14.613 ( -4.076 0.000 14.163) 14.738 15.487 ( 16.941 0.000 3.770) 17.356 16.129 ( -2.391 0.000 -3.919) 4.591 22.520 ( 1.573 0.000 0.707) 1.724 22.656 ( -2.235 0.000 -0.828) 2.383 22.975 ( -5.475 0.000 13.606) 14.667 23.005 ( -3.124 0.000 11.279) 11.703 23.659 ( 2.874 0.000 -0.865) 3.002 23.881 ( -5.304 0.000 -1.874) 5.626 24.656 ( 11.644 0.000 -6.650) 13.409 25.096 ( 0.992 0.000 -12.571) 12.610 ======================= Grid point 157 (52/144) ======================= q-point: ( 0.43 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 216 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.062 ( 23.558 0.000 10.233) 25.685 2.357 ( 27.493 0.000 3.556) 27.722 2.589 ( -23.671 0.000 -1.571) 23.723 2.925 ( -24.121 0.000 -2.139) 24.216 3.988 ( 15.793 0.000 14.112) 21.179 4.169 ( 17.656 0.000 2.362) 17.814 4.174 ( -5.401 0.000 2.111) 5.799 4.395 ( -0.556 0.000 -4.909) 4.940 4.906 ( -6.278 0.000 -15.773) 16.976 4.927 ( -7.465 0.000 -8.256) 11.131 6.114 ( 16.514 0.000 -11.343) 20.034 6.275 ( -3.228 0.000 -5.067) 6.008 6.491 ( 27.978 0.000 5.001) 28.422 7.028 ( 16.589 0.000 3.549) 16.964 7.045 ( -0.350 0.000 -5.589) 5.600 7.344 ( -10.453 0.000 -12.772) 16.504 7.500 ( -16.370 0.000 0.234) 16.372 7.889 ( -30.363 0.000 -7.293) 31.226 9.562 ( 7.938 0.000 -3.219) 8.565 9.764 ( -10.711 0.000 -1.407) 10.803 10.311 ( 3.550 0.000 -2.779) 4.508 10.333 ( 0.909 0.000 3.473) 3.590 10.570 ( 7.178 0.000 7.491) 10.375 10.802 ( -14.307 0.000 3.298) 14.682 11.442 ( 7.018 0.000 -13.608) 15.312 11.559 ( -3.723 0.000 -14.732) 15.195 11.866 ( 7.781 0.000 -0.096) 7.781 12.034 ( -7.980 0.000 -4.672) 9.247 12.885 ( 6.829 0.000 2.221) 7.181 12.951 ( 0.075 0.000 -0.821) 0.824 13.189 ( 1.553 0.000 0.672) 1.692 13.253 ( -2.588 0.000 0.848) 2.723 13.556 ( 0.840 0.000 4.581) 4.658 13.600 ( 2.672 0.000 2.224) 3.477 13.668 ( -4.502 0.000 2.866) 5.337 13.742 ( -6.284 0.000 0.429) 6.298 14.386 ( 6.569 0.000 19.222) 20.313 14.513 ( -5.667 0.000 16.667) 17.604 15.799 ( 13.264 0.000 0.911) 13.296 16.020 ( -8.218 0.000 -1.721) 8.396 22.559 ( 2.200 0.000 0.237) 2.213 22.607 ( -2.486 0.000 -0.315) 2.506 22.921 ( -0.325 0.000 12.136) 12.141 22.946 ( -2.382 0.000 11.237) 11.486 23.719 ( 3.114 0.000 -0.861) 3.231 23.789 ( -3.845 0.000 -1.153) 4.014 24.878 ( 9.798 0.000 -8.202) 12.778 25.041 ( -5.790 0.000 -10.264) 11.784 ======================= Grid point 161 (53/144) ======================= q-point: ( 0.00 0.10 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.304 ( 0.000 27.818 16.607) 32.398 1.628 ( 0.000 15.809 30.771) 34.594 2.209 ( 0.000 -3.518 48.679) 48.806 3.426 ( 0.000 2.868 1.527) 3.249 3.460 ( 0.000 1.333 -11.023) 11.103 3.847 ( 0.000 4.930 -9.538) 10.737 4.155 ( 0.000 -3.772 -6.152) 7.217 4.396 ( 0.000 1.191 -5.329) 5.461 5.123 ( 0.000 -5.405 -22.060) 22.713 5.130 ( 0.000 -4.678 2.439) 5.276 5.454 ( 0.000 -17.081 -0.255) 17.083 5.542 ( 0.000 3.793 -17.157) 17.571 5.940 ( 0.000 4.277 -7.559) 8.685 6.495 ( 0.000 -6.028 6.125) 8.594 6.769 ( 0.000 6.221 4.501) 7.679 7.733 ( 0.000 -3.592 -28.258) 28.486 8.923 ( 0.000 -1.392 -1.659) 2.165 9.136 ( 0.000 -1.148 -2.105) 2.398 9.345 ( 0.000 -9.580 2.633) 9.935 9.965 ( 0.000 -4.617 -5.357) 7.072 10.034 ( 0.000 6.490 -6.155) 8.945 10.231 ( 0.000 -2.451 -1.183) 2.721 10.663 ( 0.000 -4.875 -3.448) 5.972 11.017 ( 0.000 -4.248 5.808) 7.195 11.323 ( 0.000 -8.774 -4.599) 9.906 11.681 ( 0.000 4.955 1.775) 5.263 11.808 ( 0.000 -0.415 -6.945) 6.957 11.908 ( 0.000 3.164 -3.518) 4.731 12.643 ( 0.000 -10.982 1.373) 11.067 13.015 ( 0.000 3.023 8.817) 9.321 13.121 ( 0.000 3.519 3.442) 4.923 13.398 ( 0.000 11.908 3.885) 12.526 13.433 ( 0.000 -1.189 -3.533) 3.727 13.644 ( 0.000 6.942 -3.913) 7.969 14.046 ( 0.000 0.693 3.587) 3.654 14.278 ( 0.000 5.850 1.621) 6.071 14.338 ( 0.000 5.373 13.485) 14.516 14.808 ( 0.000 -4.349 13.320) 14.012 14.833 ( 0.000 4.540 9.518) 10.545 16.039 ( 0.000 -2.030 -2.604) 3.302 22.526 ( 0.000 3.770 1.185) 3.952 22.729 ( 0.000 1.689 0.557) 1.779 23.075 ( 0.000 -0.808 11.813) 11.841 23.415 ( 0.000 0.645 3.372) 3.433 23.478 ( 0.000 0.229 2.286) 2.297 24.067 ( 0.000 -8.025 2.162) 8.311 24.190 ( 0.000 -1.371 -5.323) 5.497 24.916 ( 0.000 3.494 -10.255) 10.834 ======================= Grid point 162 (54/144) ======================= q-point: ( 0.14 0.10 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 350 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.265 ( 3.794 9.839 21.784) 24.202 1.742 ( 7.227 11.692 32.307) 35.110 2.621 ( 34.996 8.325 32.370) 48.393 3.302 ( -9.150 -3.090 -7.820) 12.427 3.582 ( 2.784 9.545 -7.637) 12.537 3.876 ( 4.730 -1.495 -2.215) 5.433 4.115 ( -1.927 0.203 0.554) 2.016 4.351 ( -2.198 -0.282 -9.575) 9.828 5.036 ( -3.705 -4.912 -9.003) 10.904 5.200 ( -0.200 -8.323 -11.463) 14.168 5.443 ( 2.208 3.301 -16.217) 16.696 5.689 ( 13.966 -9.757 0.978) 17.065 6.093 ( 13.243 3.351 -7.916) 15.788 6.487 ( 0.006 -5.767 5.530) 7.990 6.751 ( -0.831 5.622 5.212) 7.711 7.698 ( -3.689 -3.340 -26.299) 26.766 8.715 ( -19.957 -0.948 -1.995) 20.079 8.981 ( -17.338 0.019 -3.431) 17.674 9.326 ( 1.630 -9.342 2.600) 9.833 9.861 ( -2.836 -3.034 -8.580) 9.532 10.218 ( 8.663 2.923 -1.478) 9.262 10.250 ( 1.472 -2.429 0.933) 2.990 10.610 ( -4.400 -0.514 -3.152) 5.437 11.016 ( 0.726 -8.465 3.007) 9.013 11.361 ( 0.930 -5.490 -4.539) 7.184 11.589 ( -5.489 5.264 -2.139) 7.900 11.783 ( -2.183 0.535 -2.128) 3.095 11.967 ( 4.416 -2.111 -5.890) 7.659 12.650 ( 0.954 -8.516 2.470) 8.918 12.966 ( -2.289 2.727 6.391) 7.316 13.150 ( 0.205 0.520 3.501) 3.546 13.319 ( -1.635 7.752 -0.911) 7.975 13.519 ( 2.639 4.592 -0.071) 5.297 13.698 ( 4.251 6.738 -2.489) 8.346 13.968 ( -6.831 0.358 3.231) 7.564 14.164 ( -8.340 8.118 5.485) 12.866 14.287 ( -2.922 4.246 17.665) 18.401 14.677 ( -4.206 -0.960 11.777) 12.542 15.126 ( 17.059 0.090 7.165) 18.502 16.088 ( 3.147 -2.185 -4.348) 5.795 22.533 ( 0.752 3.738 1.089) 3.965 22.717 ( -1.146 1.867 0.516) 2.251 23.054 ( -1.987 -0.631 11.636) 11.821 23.185 ( -11.824 2.305 9.988) 15.648 23.603 ( 4.395 0.844 -0.931) 4.571 23.979 ( -5.273 -2.794 -0.965) 6.045 24.355 ( 11.626 -5.015 -4.287) 13.368 24.996 ( 5.566 -0.138 -12.133) 13.350 ======================= Grid point 163 (55/144) ======================= q-point: ( 0.29 0.10 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 350 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.492 ( 17.429 -5.100 18.574) 25.977 2.017 ( 20.268 13.028 20.792) 31.825 2.954 ( -18.374 -6.973 -8.249) 21.314 3.391 ( 11.144 11.723 6.808) 17.549 3.521 ( 9.946 7.854 8.765) 15.409 3.912 ( 1.681 -6.151 1.827) 6.633 4.209 ( 5.531 1.240 -0.344) 5.679 4.356 ( 2.635 1.232 -7.745) 8.273 4.959 ( -5.562 -5.910 -12.775) 15.135 5.128 ( -3.939 -0.014 -11.175) 11.849 5.659 ( 19.360 2.108 -12.339) 23.054 6.028 ( 17.022 -6.487 1.909) 18.316 6.359 ( 8.241 4.844 -2.506) 9.882 6.571 ( 11.213 -8.285 -0.034) 13.942 6.799 ( 7.879 1.516 2.519) 8.410 7.573 ( -8.705 -2.171 -19.952) 21.877 8.154 ( -33.487 -0.160 -1.562) 33.523 8.481 ( -29.513 -2.356 -4.472) 29.943 9.412 ( 5.850 -3.343 -1.115) 6.830 9.868 ( 1.965 -3.744 -4.869) 6.449 10.172 ( -6.582 -4.248 2.910) 8.357 10.371 ( 4.838 2.505 -0.248) 5.453 10.576 ( 1.635 6.077 -0.486) 6.311 10.985 ( -6.423 -9.121 2.521) 11.437 11.309 ( -2.232 -1.290 -6.745) 7.221 11.550 ( -0.266 -3.175 -10.796) 11.257 11.775 ( 2.344 2.121 0.170) 3.165 12.028 ( 0.483 -8.103 -7.503) 11.054 12.703 ( 4.646 -3.651 4.269) 7.290 12.941 ( -0.667 -0.788 2.207) 2.436 13.132 ( -0.780 -1.376 3.324) 3.681 13.311 ( -0.984 4.285 -1.454) 4.631 13.559 ( 2.216 5.280 0.927) 5.801 13.722 ( -2.619 5.587 1.262) 6.299 13.857 ( -2.775 6.987 1.998) 7.779 14.003 ( -6.967 10.282 6.809) 14.164 14.280 ( 2.584 1.574 20.074) 20.301 14.595 ( -4.307 -1.539 12.918) 13.703 15.472 ( 16.048 -1.482 3.429) 16.477 16.110 ( -1.496 -1.371 -4.149) 4.619 22.557 ( 1.527 3.625 0.803) 4.015 22.685 ( -1.913 2.444 0.236) 3.112 22.993 ( -4.373 0.933 11.960) 12.768 23.014 ( -4.168 1.850 11.323) 12.206 23.669 ( 2.569 0.868 -1.161) 2.950 23.882 ( -4.035 0.272 -1.010) 4.169 24.601 ( 11.916 -5.272 -6.068) 14.374 25.062 ( 0.045 -3.379 -11.997) 12.463 ======================= Grid point 164 (56/144) ======================= q-point: ( 0.43 0.10 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 350 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.941 ( 25.330 -6.991 6.918) 27.172 2.478 ( -20.789 -7.322 -1.672) 22.104 2.510 ( 20.902 9.806 9.035) 24.793 3.042 ( -23.761 8.347 1.471) 25.228 3.960 ( 6.960 -0.951 4.181) 8.175 4.096 ( 13.776 -2.743 4.823) 14.851 4.237 ( 3.115 1.467 -2.583) 4.304 4.408 ( -0.806 0.583 -3.443) 3.584 4.846 ( -2.497 -1.473 -9.563) 9.992 5.021 ( -6.521 4.916 -8.118) 11.515 6.058 ( 10.083 -2.926 -12.161) 16.066 6.379 ( 9.834 6.611 -3.743) 12.426 6.495 ( 20.568 0.886 4.271) 21.025 6.870 ( 12.708 -11.349 -0.622) 17.050 7.058 ( 5.263 -2.468 -5.742) 8.170 7.368 ( -9.017 0.199 -4.411) 10.040 7.483 ( -18.983 -0.231 -4.916) 19.610 7.849 ( -30.642 -3.622 -7.453) 31.743 9.560 ( 8.699 -0.153 -2.812) 9.144 9.786 ( -9.888 1.745 -1.311) 10.126 10.160 ( 4.848 -7.281 1.553) 8.885 10.429 ( 0.420 2.061 -2.560) 3.313 10.629 ( 4.013 6.016 5.924) 9.348 10.782 ( -10.509 -2.232 3.343) 11.251 11.331 ( 2.649 -10.537 -13.743) 17.519 11.521 ( -2.063 -3.854 -13.122) 13.831 11.866 ( 5.599 -0.192 -1.151) 5.720 11.979 ( -4.595 -5.197 -4.725) 8.393 12.825 ( 6.097 -3.963 1.807) 7.493 12.919 ( -1.986 -4.436 -0.025) 4.861 13.128 ( 0.058 -1.649 2.621) 3.097 13.264 ( -2.436 0.722 2.765) 3.754 13.609 ( 1.681 4.814 -0.469) 5.121 13.680 ( -0.268 3.619 2.858) 4.619 13.810 ( -1.855 12.001 5.460) 13.315 13.891 ( -3.498 16.045 3.523) 16.796 14.375 ( 5.845 -1.020 18.291) 19.229 14.495 ( -5.521 -1.729 15.596) 16.634 15.753 ( 10.355 -4.116 0.131) 11.144 16.031 ( -5.301 1.052 -1.639) 5.647 22.594 ( 2.102 3.381 0.385) 4.000 22.641 ( -2.276 3.161 0.071) 3.896 22.935 ( -0.918 1.274 11.723) 11.828 22.957 ( -1.857 1.423 11.178) 11.420 23.713 ( 1.608 -0.316 -1.271) 2.074 23.818 ( -2.088 2.557 -0.446) 3.331 24.826 ( 9.801 -5.121 -7.973) 13.633 24.998 ( -5.872 -4.252 -9.834) 12.217 ======================= Grid point 168 (57/144) ======================= q-point: ( 0.00 0.20 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 208 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.734 ( 0.000 13.919 25.689) 29.217 2.021 ( 0.000 23.556 23.163) 33.037 2.299 ( 0.000 13.362 26.807) 29.952 3.455 ( 0.000 -3.824 -9.580) 10.315 3.490 ( 0.000 3.164 3.090) 4.423 3.925 ( 0.000 4.009 -4.045) 5.695 4.150 ( 0.000 2.931 -8.149) 8.660 4.433 ( 0.000 4.364 2.913) 5.247 4.822 ( 0.000 -24.079 -3.438) 24.324 5.048 ( 0.000 -2.925 -4.342) 5.236 5.242 ( 0.000 -6.269 -15.341) 16.572 5.598 ( 0.000 1.535 -13.444) 13.531 5.983 ( 0.000 1.562 -8.491) 8.633 6.404 ( 0.000 -3.533 3.802) 5.190 6.874 ( 0.000 4.771 0.667) 4.818 7.593 ( 0.000 -11.393 -27.565) 29.826 8.900 ( 0.000 -0.676 -1.591) 1.729 9.094 ( 0.000 -2.721 -6.011) 6.598 9.213 ( 0.000 -3.573 1.213) 3.774 9.853 ( 0.000 -6.929 -3.332) 7.688 10.062 ( 0.000 -4.291 -10.998) 11.805 10.151 ( 0.000 -6.049 6.468) 8.856 10.565 ( 0.000 -4.047 -13.802) 14.383 10.992 ( 0.000 2.437 11.468) 11.724 11.162 ( 0.000 -7.672 -5.279) 9.313 11.764 ( 0.000 2.932 -0.622) 2.997 11.768 ( 0.000 -3.013 -7.846) 8.404 11.965 ( 0.000 2.281 -7.428) 7.770 12.467 ( 0.000 -6.415 5.927) 8.734 13.021 ( 0.000 -1.818 12.213) 12.347 13.243 ( 0.000 7.475 5.183) 9.096 13.445 ( 0.000 2.044 -4.195) 4.666 13.605 ( 0.000 9.666 6.957) 11.909 13.752 ( 0.000 3.868 -3.354) 5.120 14.018 ( 0.000 -2.849 5.039) 5.788 14.407 ( 0.000 5.554 6.595) 8.622 14.477 ( 0.000 8.325 11.852) 14.483 14.713 ( 0.000 -4.603 16.012) 16.660 14.954 ( 0.000 7.704 7.112) 10.485 16.042 ( 0.000 2.610 -8.464) 8.857 22.620 ( 0.000 5.531 1.404) 5.706 22.754 ( 0.000 0.739 4.253) 4.317 23.058 ( 0.000 -0.782 11.447) 11.473 23.432 ( 0.000 1.140 3.170) 3.369 23.481 ( 0.000 0.106 0.802) 0.809 23.968 ( 0.000 -1.658 3.703) 4.057 24.153 ( 0.000 -2.335 -4.906) 5.433 24.939 ( 0.000 -1.092 -10.924) 10.979 ======================= Grid point 169 (58/144) ======================= q-point: ( 0.14 0.20 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 352 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.587 ( -10.884 21.136 18.220) 29.953 1.923 ( 7.745 8.045 34.582) 36.340 2.870 ( 32.262 14.216 13.720) 37.831 3.272 ( -9.394 -0.758 -5.392) 10.858 3.679 ( 9.148 -1.537 0.070) 9.276 3.901 ( -4.450 6.192 -5.723) 9.534 4.149 ( 2.436 3.003 1.271) 4.070 4.360 ( -3.341 1.985 -2.832) 4.809 4.860 ( 1.444 -13.941 -6.309) 15.370 5.039 ( 0.765 -5.914 -6.634) 8.920 5.416 ( 13.693 -5.873 -10.845) 18.428 5.602 ( 3.777 0.109 -10.577) 11.232 6.118 ( 11.511 0.117 -8.449) 14.280 6.405 ( 0.746 -2.624 3.889) 4.750 6.841 ( -2.593 3.719 -0.399) 4.551 7.576 ( -2.008 -9.533 -25.048) 26.876 8.699 ( -19.360 -0.630 -1.295) 19.414 8.963 ( -20.926 -2.512 -2.290) 21.200 9.183 ( 6.852 -3.884 -2.293) 8.203 9.767 ( -3.794 -6.146 -8.158) 10.896 10.144 ( 1.818 -7.602 2.404) 8.178 10.248 ( 9.092 -1.853 -2.827) 9.700 10.591 ( 1.952 -1.347 -10.881) 11.137 10.919 ( -4.666 -1.197 7.960) 9.304 11.217 ( 3.104 -7.468 -5.538) 9.802 11.669 ( -8.146 1.510 -3.189) 8.878 11.786 ( 0.854 0.051 -4.184) 4.271 11.929 ( -2.539 -1.037 -6.919) 7.442 12.516 ( 4.392 -5.065 4.994) 8.359 12.976 ( -3.726 -1.482 8.545) 9.439 13.208 ( -2.527 4.690 5.658) 7.771 13.418 ( -1.988 3.195 -2.994) 4.809 13.635 ( 1.554 5.731 2.345) 6.384 13.831 ( 5.903 6.827 2.436) 9.348 13.984 ( -2.545 1.154 4.551) 5.341 14.320 ( -6.679 6.651 10.725) 14.279 14.394 ( -5.126 6.042 15.436) 17.351 14.663 ( -3.311 0.016 10.687) 11.188 15.149 ( 14.278 2.785 5.417) 15.523 16.076 ( 2.368 1.341 -7.884) 8.340 22.626 ( 0.586 5.403 1.354) 5.600 22.746 ( -0.705 0.968 4.079) 4.251 23.042 ( -1.543 -0.495 11.416) 11.530 23.243 ( -9.696 3.403 6.043) 11.921 23.615 ( 5.103 0.161 -1.088) 5.220 23.941 ( -2.030 -0.221 1.620) 2.606 24.259 ( 9.201 -4.581 -4.086) 11.060 24.966 ( 1.826 -2.956 -11.261) 11.785 ======================= Grid point 170 (59/144) ======================= q-point: ( 0.29 0.20 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 352 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.559 ( 8.718 11.326 15.795) 21.302 2.210 ( 18.818 7.567 23.703) 31.196 2.847 ( -19.974 -3.899 -5.337) 21.040 3.578 ( -15.584 2.179 0.339) 15.739 3.640 ( 26.362 4.202 6.175) 27.400 3.926 ( 7.748 10.249 -1.470) 12.932 4.190 ( -0.083 -0.724 -1.867) 2.004 4.398 ( 4.603 1.944 -1.966) 5.370 4.845 ( -2.435 -5.427 -9.444) 11.162 5.098 ( 3.465 -2.331 -6.090) 7.384 5.691 ( 17.676 -0.693 -8.374) 19.572 5.903 ( 21.680 -5.724 -5.361) 23.055 6.342 ( 8.535 -6.655 -1.090) 10.878 6.493 ( 8.457 0.920 -0.683) 8.534 6.817 ( 2.303 0.959 -5.785) 6.300 7.496 ( -5.990 -5.727 -17.362) 19.239 8.155 ( -32.434 0.256 -1.840) 32.487 8.412 ( -31.066 -4.665 -2.973) 31.555 9.368 ( 9.847 -0.580 -3.105) 10.341 9.770 ( 4.273 -5.871 -5.865) 9.334 10.103 ( -5.492 -3.125 3.211) 7.088 10.404 ( 5.099 0.364 -4.105) 6.556 10.655 ( 4.894 1.109 -3.177) 5.939 10.830 ( -5.013 -5.805 3.409) 8.393 11.217 ( -4.525 -7.567 -9.096) 12.667 11.486 ( -7.094 -2.583 -6.297) 9.831 11.803 ( 0.861 0.679 -3.098) 3.287 11.904 ( 0.260 -3.825 -5.583) 6.773 12.627 ( 5.999 -4.117 3.215) 7.955 12.894 ( -4.034 -3.326 2.798) 5.930 13.164 ( -1.477 3.618 7.555) 8.506 13.359 ( -3.845 0.884 -3.059) 4.992 13.673 ( 2.462 5.290 2.952) 6.539 13.831 ( -3.905 7.335 4.298) 9.355 14.036 ( 4.594 8.467 7.158) 12.001 14.192 ( -4.034 7.776 12.796) 15.507 14.339 ( -0.521 4.030 16.571) 17.063 14.578 ( -5.046 0.768 8.237) 9.690 15.446 ( 13.824 -0.480 1.574) 13.922 16.098 ( -0.727 0.319 -5.577) 5.633 22.644 ( 1.075 4.853 1.250) 5.126 22.729 ( -0.901 1.833 3.259) 3.846 23.002 ( -2.196 0.525 11.204) 11.430 23.083 ( -5.746 4.468 8.298) 11.038 23.685 ( 2.204 0.615 -1.479) 2.725 23.901 ( -1.727 1.866 0.718) 2.642 24.479 ( 11.451 -6.631 -5.525) 14.339 24.974 ( -1.669 -5.356 -10.779) 12.151 ======================= Grid point 171 (60/144) ======================= q-point: ( 0.43 0.20 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 352 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.888 ( 21.526 2.206 6.813) 22.686 2.361 ( -22.537 -3.425 -0.238) 22.797 2.674 ( 21.630 6.432 14.457) 26.800 3.157 ( -22.742 2.986 6.651) 23.882 3.985 ( 6.807 1.227 -5.138) 8.617 4.096 ( 2.621 2.605 -2.901) 4.698 4.228 ( 8.236 0.350 -6.184) 10.305 4.411 ( -4.856 -0.051 -3.428) 5.944 4.852 ( 4.171 1.380 -1.846) 4.765 5.097 ( -3.078 2.963 -3.975) 5.836 6.028 ( 7.647 -0.706 -12.052) 14.291 6.407 ( 26.571 -4.398 2.388) 27.038 6.522 ( 6.936 -2.622 3.839) 8.350 6.683 ( 12.804 -3.121 -5.771) 14.387 6.965 ( 6.803 -6.003 -9.449) 13.099 7.314 ( -16.452 -4.570 1.246) 17.121 7.513 ( -17.620 2.020 -10.319) 20.519 7.781 ( -27.473 -2.731 -8.742) 28.959 9.558 ( 8.473 -0.019 -1.615) 8.625 9.802 ( -5.746 -0.751 0.278) 5.802 10.074 ( 6.292 -0.882 -0.680) 6.390 10.441 ( -2.144 0.030 -3.407) 4.025 10.703 ( -3.746 -3.991 2.533) 6.031 10.754 ( 1.955 3.542 1.083) 4.188 11.094 ( -4.186 -12.230 -12.430) 17.933 11.409 ( -1.568 -7.576 -11.246) 13.650 11.826 ( 1.043 -3.343 -5.022) 6.122 11.915 ( 0.355 -0.585 -2.830) 2.912 12.741 ( 4.689 -4.988 1.296) 6.967 12.818 ( -3.370 -5.051 0.896) 6.138 13.151 ( -0.021 2.944 4.733) 5.574 13.282 ( -2.752 0.765 2.586) 3.853 13.725 ( 1.811 6.855 1.302) 7.209 13.775 ( -1.109 6.389 5.159) 8.286 14.019 ( -2.801 9.238 12.637) 15.902 14.220 ( 2.832 13.454 9.818) 16.895 14.360 ( 2.709 0.290 13.987) 14.250 14.468 ( -5.215 0.364 9.754) 11.066 15.675 ( 7.302 -2.930 -2.360) 8.214 16.053 ( -2.622 1.085 -2.070) 3.513 22.666 ( 0.907 3.418 1.381) 3.797 22.712 ( -0.711 3.736 1.820) 4.216 22.964 ( -1.109 1.898 10.773) 10.995 23.007 ( -1.778 3.545 9.996) 10.754 23.715 ( 0.760 0.532 -1.459) 1.729 23.876 ( -0.699 3.153 0.712) 3.307 24.700 ( 9.409 -7.357 -7.790) 14.260 24.893 ( -5.891 -6.175 -8.919) 12.345 ======================= Grid point 175 (61/144) ======================= q-point: ( 0.00 0.30 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.934 ( 0.000 9.313 27.549) 29.080 2.493 ( 0.000 24.382 16.463) 29.420 2.557 ( 0.000 9.745 8.517) 12.942 3.283 ( 0.000 -12.296 -2.205) 12.492 3.521 ( 0.000 -0.795 5.670) 5.726 4.002 ( 0.000 -0.180 -3.408) 3.413 4.264 ( 0.000 11.417 2.310) 11.648 4.345 ( 0.000 -22.729 3.797) 23.044 4.581 ( 0.000 10.059 2.493) 10.364 5.055 ( 0.000 4.023 -9.621) 10.428 5.089 ( 0.000 -10.543 -16.881) 19.903 5.589 ( 0.000 -2.649 -10.332) 10.666 6.057 ( 0.000 7.073 -11.371) 13.391 6.355 ( 0.000 -1.581 1.263) 2.023 6.955 ( 0.000 3.652 -4.110) 5.499 7.305 ( 0.000 -17.691 -25.221) 30.807 8.887 ( 0.000 -1.268 -2.497) 2.800 9.069 ( 0.000 0.221 -8.145) 8.148 9.190 ( 0.000 1.313 -2.283) 2.633 9.694 ( 0.000 -9.350 1.099) 9.414 9.903 ( 0.000 -10.790 -13.174) 17.028 10.016 ( 0.000 -7.041 6.672) 9.700 10.534 ( 0.000 0.834 -17.967) 17.986 11.013 ( 0.000 -8.073 -9.525) 12.485 11.082 ( 0.000 5.603 12.898) 14.063 11.727 ( 0.000 -0.761 -9.318) 9.349 11.785 ( 0.000 -0.518 -2.524) 2.576 11.981 ( 0.000 -0.602 -9.848) 9.867 12.404 ( 0.000 -0.433 10.709) 10.717 12.967 ( 0.000 -3.306 13.418) 13.819 13.368 ( 0.000 4.977 9.351) 10.593 13.497 ( 0.000 3.117 -3.605) 4.766 13.754 ( 0.000 4.405 7.148) 8.397 13.795 ( 0.000 0.825 -1.629) 1.826 13.981 ( 0.000 0.880 8.446) 8.492 14.462 ( 0.000 0.099 14.130) 14.130 14.631 ( 0.000 7.200 10.792) 12.973 14.658 ( 0.000 -0.814 17.006) 17.026 15.110 ( 0.000 7.815 4.278) 8.910 16.120 ( 0.000 4.735 -14.052) 14.828 22.713 ( 0.000 3.155 3.130) 4.444 22.765 ( 0.000 1.023 4.996) 5.099 23.050 ( 0.000 0.021 11.279) 11.279 23.457 ( 0.000 1.301 2.892) 3.171 23.485 ( 0.000 0.320 -0.073) 0.328 23.988 ( 0.000 2.980 2.271) 3.747 24.105 ( 0.000 -2.520 -4.362) 5.037 24.888 ( 0.000 -3.702 -9.471) 10.169 ======================= Grid point 176 (62/144) ======================= q-point: ( 0.14 0.30 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 350 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.960 ( -4.551 14.173 17.125) 22.690 2.130 ( -2.091 15.489 23.988) 28.630 3.040 ( 5.081 -0.409 1.453) 5.300 3.233 ( 11.165 -0.131 2.377) 11.416 3.657 ( 8.141 0.053 2.825) 8.618 3.971 ( -2.159 -0.968 -0.227) 2.377 4.220 ( 0.919 -3.435 2.073) 4.116 4.378 ( 0.502 3.946 0.726) 4.044 4.680 ( 8.620 0.751 2.102) 8.905 4.986 ( -1.450 -0.530 -10.569) 10.681 5.277 ( 13.181 -7.155 -9.538) 17.774 5.591 ( 2.372 -2.418 -11.419) 11.911 6.151 ( 6.908 4.295 -10.781) 13.505 6.380 ( 3.302 -0.175 1.172) 3.509 6.887 ( -4.688 0.481 -8.084) 9.357 7.352 ( 2.880 -12.422 -21.191) 24.732 8.682 ( -19.310 -1.438 -0.851) 19.382 8.891 ( -22.534 -3.937 -0.604) 22.883 9.188 ( 7.521 3.430 -8.676) 11.983 9.631 ( -2.978 -7.859 -6.868) 10.854 9.983 ( 5.695 -8.148 -0.810) 9.974 10.157 ( 10.181 -6.585 -0.473) 12.134 10.574 ( 3.249 0.199 -15.370) 15.711 10.921 ( -7.118 -1.155 1.913) 7.460 11.109 ( 0.636 -2.794 -0.401) 2.893 11.662 ( -7.074 -0.737 -4.929) 8.654 11.790 ( 1.373 -0.078 -6.517) 6.660 11.923 ( -4.661 -0.080 -6.928) 8.350 12.456 ( 4.392 -1.287 8.125) 9.325 12.929 ( -3.959 -3.130 8.884) 10.218 13.289 ( -4.486 3.188 8.240) 9.909 13.458 ( -4.446 0.951 -2.664) 5.270 13.727 ( 0.866 4.237 5.337) 6.870 13.937 ( 7.241 2.955 4.887) 9.222 14.021 ( 4.020 3.447 8.011) 9.603 14.395 ( -5.213 1.421 17.484) 18.299 14.502 ( -7.385 4.942 12.513) 15.347 14.682 ( -1.066 1.604 11.580) 11.739 15.239 ( 10.698 6.062 2.297) 12.509 16.129 ( 0.401 3.462 -12.246) 12.732 22.719 ( 0.477 3.413 2.777) 4.426 22.758 ( -0.577 0.679 5.448) 5.520 23.040 ( -0.851 0.426 11.131) 11.171 23.306 ( -7.713 3.012 3.620) 9.037 23.609 ( 5.321 -0.542 -0.257) 5.355 23.974 ( -1.120 2.997 1.799) 3.671 24.182 ( 7.078 -3.254 -4.491) 8.992 24.892 ( -0.003 -4.403 -9.687) 10.640 ======================= Grid point 177 (63/144) ======================= q-point: ( 0.29 0.30 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 350 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.859 ( 1.135 17.779 13.147) 22.142 2.344 ( 15.497 7.113 19.774) 26.110 2.793 ( -16.781 -2.357 0.568) 16.956 3.515 ( -7.151 -4.018 3.237) 8.818 3.689 ( 8.735 -0.328 -4.386) 9.780 4.077 ( 7.886 -0.057 2.924) 8.410 4.274 ( 2.931 4.381 -5.384) 7.535 4.417 ( 3.904 4.849 -0.002) 6.225 4.800 ( 2.141 1.940 -2.852) 4.060 5.066 ( 7.341 -0.491 -3.747) 8.256 5.586 ( 18.903 -8.301 2.323) 20.775 5.824 ( 21.187 -4.272 -14.106) 25.809 6.246 ( 3.302 -1.487 -5.028) 6.196 6.500 ( 6.089 -1.029 0.325) 6.184 6.851 ( 2.693 2.640 -15.617) 16.066 7.365 ( -2.445 -7.403 -14.207) 16.206 8.157 ( -30.566 -0.290 -2.617) 30.679 8.314 ( -31.515 -5.015 -2.365) 31.999 9.388 ( 10.152 2.240 -4.782) 11.443 9.653 ( 5.619 -5.964 -4.781) 9.487 10.060 ( 1.549 -1.132 -0.434) 1.967 10.359 ( 8.612 -5.052 -4.609) 10.997 10.635 ( 1.339 -1.683 -3.469) 4.081 10.766 ( -6.203 -1.756 -0.801) 6.496 11.071 ( -4.783 -6.560 -7.395) 10.982 11.459 ( -11.651 -0.365 -5.033) 12.697 11.805 ( -1.079 -0.296 -7.011) 7.100 11.871 ( 1.293 -0.160 -4.239) 4.435 12.558 ( 5.179 -2.646 4.636) 7.437 12.823 ( -5.513 -3.931 2.218) 7.125 13.230 ( -1.709 2.633 9.430) 9.939 13.355 ( -4.774 -1.067 -2.296) 5.404 13.768 ( 2.807 4.932 8.914) 10.567 13.981 ( -1.487 6.866 5.766) 9.088 14.145 ( 4.768 3.178 13.522) 14.686 14.298 ( -2.881 3.367 17.140) 17.703 14.400 ( -1.987 3.204 11.093) 11.716 14.628 ( -3.558 2.785 7.483) 8.741 15.478 ( 11.622 3.950 -1.569) 12.375 16.118 ( -1.712 1.406 -8.181) 8.476 22.723 ( -0.206 3.009 2.613) 3.991 22.755 ( 0.511 0.971 5.629) 5.735 23.021 ( -0.852 1.500 10.525) 10.666 23.167 ( -5.798 3.871 5.768) 9.048 23.692 ( 2.991 0.219 -0.764) 3.095 23.948 ( -1.345 2.495 1.629) 3.269 24.367 ( 10.237 -4.568 -5.932) 12.683 24.868 ( -2.772 -5.394 -9.545) 11.309 ======================= Grid point 178 (64/144) ======================= q-point: ( 0.43 0.30 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 350 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.022 ( 13.700 10.996 8.710) 19.607 2.361 ( -17.240 3.166 4.337) 18.057 2.775 ( 18.599 4.741 12.917) 23.136 3.184 ( -19.536 0.961 6.636) 20.655 3.907 ( 8.733 -8.180 -6.462) 13.599 4.086 ( -4.230 -4.805 -3.295) 7.200 4.367 ( 4.577 7.785 -5.113) 10.378 4.444 ( -2.205 7.063 -8.064) 10.944 4.873 ( 4.146 0.669 1.320) 4.402 5.142 ( 0.739 2.064 -3.397) 4.043 5.996 ( 11.629 -3.413 -4.506) 12.930 6.234 ( 14.429 -9.748 0.101) 17.413 6.458 ( 15.827 -2.224 -0.883) 16.007 6.651 ( 16.458 -4.527 -0.155) 17.070 6.901 ( -2.980 0.119 -12.954) 13.293 7.218 ( -15.646 -5.054 -3.235) 16.757 7.544 ( -20.952 1.480 -11.585) 23.987 7.749 ( -18.817 -0.927 -11.443) 22.043 9.563 ( 6.704 0.684 0.155) 6.741 9.761 ( 0.623 -2.815 2.069) 3.549 10.118 ( 6.526 4.524 -2.960) 8.474 10.440 ( -3.792 -0.306 -4.132) 5.616 10.598 ( 1.320 -5.781 2.418) 6.404 10.735 ( -1.389 -6.610 -5.951) 9.002 10.952 ( -3.800 -1.644 -9.172) 10.064 11.260 ( -6.117 -6.809 -10.149) 13.667 11.793 ( -0.009 -0.073 -6.316) 6.317 11.911 ( 1.394 -0.396 -3.741) 4.012 12.650 ( 3.539 -3.924 1.534) 5.502 12.728 ( -3.573 -4.354 0.958) 5.713 13.205 ( -0.701 2.274 5.369) 5.873 13.285 ( -1.820 -0.453 3.003) 3.541 13.835 ( 3.405 4.403 10.649) 12.016 13.926 ( -3.176 7.666 6.794) 10.724 14.141 ( -1.893 3.771 19.679) 20.126 14.331 ( 3.189 1.913 14.656) 15.120 14.386 ( -0.399 1.914 8.271) 8.499 14.564 ( -2.120 6.136 4.847) 8.102 15.672 ( 6.128 2.960 -5.960) 9.046 16.067 ( -2.429 0.100 -3.518) 4.276 22.717 ( -0.215 2.007 3.507) 4.046 22.769 ( 0.556 1.935 4.464) 4.898 23.012 ( -0.030 2.866 9.172) 9.609 23.078 ( -2.594 3.374 8.232) 9.267 23.735 ( 1.188 1.579 -1.069) 2.247 23.925 ( -0.751 1.507 1.792) 2.459 24.569 ( 8.615 -5.493 -8.108) 13.043 24.776 ( -5.679 -5.616 -8.183) 11.434 ======================= Grid point 182 (65/144) ======================= q-point: ( 0.00 0.40 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 208 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.124 ( 0.000 10.371 18.903) 21.561 2.615 ( 0.000 -4.463 3.560) 5.709 2.927 ( 0.000 19.750 11.442) 22.825 3.088 ( 0.000 -5.324 8.884) 10.357 3.433 ( 0.000 -8.255 8.535) 11.874 3.921 ( 0.000 -5.634 -4.449) 7.179 4.022 ( 0.000 -9.891 6.626) 11.906 4.499 ( 0.000 9.055 10.884) 14.158 4.811 ( 0.000 13.617 -3.890) 14.162 4.862 ( 0.000 -11.207 -13.886) 17.844 5.162 ( 0.000 5.010 -9.268) 10.535 5.502 ( 0.000 -5.645 -9.007) 10.630 6.261 ( 0.000 13.656 -15.732) 20.832 6.339 ( 0.000 -0.224 0.057) 0.231 6.943 ( 0.000 -19.106 -22.410) 29.449 7.011 ( 0.000 2.015 -7.497) 7.763 8.855 ( 0.000 -1.615 -4.178) 4.479 9.069 ( 0.000 -0.394 -3.598) 3.619 9.280 ( 0.000 7.418 -10.769) 13.076 9.523 ( 0.000 -7.286 4.440) 8.532 9.685 ( 0.000 -11.180 -12.749) 16.957 9.903 ( 0.000 -4.285 4.322) 6.086 10.586 ( 0.000 4.225 -16.404) 16.940 10.854 ( 0.000 -8.077 -15.486) 17.466 11.174 ( 0.000 3.406 11.956) 12.432 11.738 ( 0.000 1.459 -10.817) 10.915 11.764 ( 0.000 -1.108 -2.650) 2.872 11.952 ( 0.000 -2.070 -10.199) 10.407 12.424 ( 0.000 1.691 13.647) 13.752 12.906 ( 0.000 -2.670 13.504) 13.766 13.431 ( 0.000 1.676 12.034) 12.150 13.554 ( 0.000 2.503 -3.078) 3.967 13.762 ( 0.000 -1.680 6.464) 6.679 13.795 ( 0.000 -0.511 -0.335) 0.611 14.074 ( 0.000 6.792 11.376) 13.250 14.422 ( 0.000 -3.629 17.474) 17.847 14.673 ( 0.000 1.638 18.846) 18.917 14.741 ( 0.000 3.974 10.449) 11.179 15.235 ( 0.000 4.734 2.388) 5.302 16.199 ( 0.000 3.053 -16.710) 16.987 22.736 ( 0.000 0.212 6.210) 6.214 22.794 ( 0.000 1.115 3.239) 3.426 23.061 ( 0.000 0.925 10.513) 10.553 23.479 ( 0.000 0.917 2.636) 2.791 23.492 ( 0.000 0.343 -0.047) 0.346 24.055 ( 0.000 3.204 1.004) 3.358 24.063 ( 0.000 -1.682 -3.890) 4.238 24.816 ( 0.000 -3.257 -8.050) 8.684 ======================= Grid point 183 (66/144) ======================= q-point: ( 0.14 0.40 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 352 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.177 ( 3.723 10.551 15.753) 19.322 2.421 ( -7.816 10.381 11.232) 17.176 2.871 ( -6.239 -10.851 5.453) 13.653 3.349 ( 16.372 8.260 6.607) 19.491 3.631 ( 11.726 -2.451 4.018) 12.635 3.895 ( 0.228 -5.568 2.341) 6.045 4.011 ( 1.265 -10.124 2.024) 10.401 4.568 ( 3.892 8.770 6.647) 11.673 4.743 ( 2.424 -0.068 -0.149) 2.430 4.990 ( 5.017 3.695 -11.041) 12.677 5.219 ( 6.829 0.906 -8.066) 10.607 5.508 ( 2.206 -5.384 -9.698) 11.309 6.275 ( 0.469 6.707 -9.746) 11.840 6.404 ( 4.942 3.626 -4.798) 7.784 6.821 ( -2.771 -8.026 -17.128) 19.117 7.164 ( 6.976 -5.597 -14.184) 16.768 8.641 ( -19.967 -2.395 -0.074) 20.111 8.837 ( -22.965 -1.588 -1.137) 23.048 9.280 ( 5.090 5.369 -11.548) 13.715 9.482 ( -0.902 -6.873 -7.581) 10.273 9.849 ( 11.569 -5.498 -1.728) 12.925 10.037 ( 9.737 -4.912 0.786) 10.935 10.608 ( 1.661 3.254 -14.414) 14.870 10.837 ( -2.380 -6.245 -12.967) 14.588 11.110 ( -5.808 1.324 8.908) 10.716 11.666 ( -6.581 1.033 -4.800) 8.210 11.780 ( 1.160 -0.805 -9.327) 9.433 11.915 ( -3.035 -0.731 -7.105) 7.761 12.457 ( 2.958 0.925 11.596) 12.003 12.867 ( -4.236 -2.846 8.723) 10.106 13.329 ( -5.618 1.179 9.513) 11.111 13.457 ( -7.158 -0.673 -2.255) 7.535 13.807 ( 3.975 3.883 8.141) 9.857 13.941 ( 8.202 -1.546 6.029) 10.296 14.112 ( 3.630 4.943 10.430) 12.100 14.392 ( -2.564 -1.375 17.721) 17.958 14.581 ( -6.442 3.230 15.182) 16.805 14.712 ( -3.096 1.209 11.168) 11.652 15.351 ( 9.747 4.760 1.111) 10.904 16.188 ( -1.248 2.355 -14.992) 15.227 22.743 ( 0.632 0.119 6.287) 6.320 22.784 ( -0.826 1.201 3.663) 3.942 23.057 ( -0.306 1.076 10.301) 10.361 23.353 ( -6.591 1.717 2.761) 7.350 23.601 ( 5.115 -0.218 0.606) 5.155 24.023 ( -1.747 1.328 0.944) 2.389 24.146 ( 6.565 -0.222 -4.473) 7.947 24.812 ( -0.600 -3.429 -8.352) 9.049 ======================= Grid point 184 (67/144) ======================= q-point: ( 0.29 0.40 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 352 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.188 ( 0.197 15.649 11.495) 19.418 2.480 ( 8.864 5.291 13.108) 16.685 2.734 ( -5.516 -3.770 4.923) 8.300 3.475 ( -5.547 -0.075 2.499) 6.085 3.679 ( -0.973 0.809 -0.032) 1.266 3.982 ( 2.589 -8.159 1.344) 8.665 4.171 ( 11.947 -8.184 0.304) 14.485 4.638 ( 3.921 10.146 -1.105) 10.933 4.876 ( 4.411 4.542 -0.331) 6.340 5.088 ( 6.292 2.545 -5.240) 8.575 5.446 ( 16.938 -5.479 1.575) 17.871 5.720 ( 20.435 -5.106 -10.628) 23.592 6.281 ( 0.787 3.863 -7.389) 8.374 6.452 ( 0.516 -3.646 -3.701) 5.220 6.913 ( 9.011 3.483 -19.658) 21.903 7.228 ( -1.470 -6.312 -12.454) 14.040 8.138 ( -26.914 -1.557 -2.705) 27.094 8.238 ( -33.093 -2.455 -3.234) 33.341 9.436 ( 8.081 2.220 -4.861) 9.688 9.555 ( 8.069 -3.734 -4.264) 9.861 10.061 ( 8.775 1.077 -2.985) 9.331 10.242 ( 9.817 -5.963 -2.089) 11.675 10.625 ( -1.304 0.788 -6.245) 6.429 10.731 ( -7.395 -2.282 -6.527) 10.124 10.976 ( -5.906 -3.284 -3.059) 7.417 11.463 ( -13.315 0.534 -5.796) 14.532 11.798 ( 0.487 -0.292 -9.076) 9.093 11.877 ( 0.183 0.455 -4.306) 4.334 12.530 ( 3.814 -0.392 7.205) 8.161 12.750 ( -6.055 -3.348 1.827) 7.156 13.262 ( -1.574 0.874 9.354) 9.526 13.328 ( -4.886 -1.360 -1.113) 5.192 13.866 ( 1.956 5.115 13.928) 14.966 14.039 ( 0.622 -1.273 12.663) 12.742 14.197 ( 3.308 2.692 11.326) 12.102 14.345 ( -1.057 2.126 15.650) 15.830 14.477 ( -2.971 4.209 9.218) 10.560 14.644 ( -2.742 -1.042 9.717) 10.150 15.573 ( 11.068 4.796 -2.249) 12.270 16.140 ( -3.539 0.788 -11.012) 11.594 22.754 ( 0.037 0.499 5.762) 5.784 22.774 ( 0.240 0.853 5.141) 5.217 23.053 ( 0.020 1.484 9.637) 9.751 23.225 ( -5.764 2.064 4.781) 7.768 23.697 ( 4.328 0.335 0.353) 4.355 23.978 ( -2.618 0.495 1.326) 2.976 24.315 ( 9.370 -0.895 -6.273) 11.312 24.778 ( -3.027 -3.585 -8.636) 9.829 ======================= Grid point 185 (68/144) ======================= q-point: ( 0.43 0.40 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 352 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.265 ( 7.166 12.660 10.457) 17.915 2.447 ( -9.314 4.100 8.582) 13.312 2.873 ( 15.944 5.317 6.710) 18.097 3.217 ( -16.378 2.464 2.964) 16.825 3.739 ( 4.962 -7.512 -1.013) 9.059 3.923 ( -5.520 -11.051 0.605) 12.368 4.407 ( 9.775 -0.334 -2.596) 10.120 4.621 ( -5.356 4.751 -4.981) 8.722 4.933 ( 1.878 7.668 -4.717) 9.196 5.172 ( 1.717 0.291 -6.271) 6.508 5.906 ( 21.212 -4.526 3.995) 22.054 6.109 ( 6.624 -3.476 -3.755) 8.370 6.430 ( 13.051 -0.490 -2.012) 13.214 6.542 ( 16.462 -5.549 -2.446) 17.544 6.910 ( -12.025 -0.099 -7.901) 14.389 7.134 ( -12.155 -3.287 -9.862) 15.994 7.582 ( -17.770 2.450 -13.845) 22.659 7.729 ( -13.836 -1.336 -14.439) 20.042 9.588 ( 6.137 1.910 2.251) 6.810 9.709 ( 3.830 -2.494 2.548) 5.233 10.220 ( 7.176 5.635 -3.291) 9.700 10.411 ( 4.100 -3.132 -4.787) 7.038 10.511 ( -4.404 -2.698 4.095) 6.591 10.604 ( -6.311 -5.189 -8.859) 12.051 10.938 ( 3.145 -0.892 -10.868) 11.349 11.171 ( -12.892 -2.417 -9.862) 16.410 11.811 ( 0.634 1.645 -6.826) 7.050 11.894 ( 0.678 -1.280 -4.975) 5.182 12.597 ( 2.490 -1.590 2.338) 3.767 12.655 ( -3.014 -2.983 0.595) 4.282 13.236 ( -1.012 1.036 5.458) 5.647 13.269 ( -1.074 -0.971 4.159) 4.404 13.903 ( 1.902 2.926 16.630) 16.992 13.996 ( -3.148 -0.506 17.401) 17.691 14.226 ( 0.283 5.221 12.683) 13.718 14.346 ( 0.145 -0.037 14.119) 14.120 14.458 ( 0.283 4.834 4.720) 6.762 14.614 ( -0.460 -0.790 8.165) 8.216 15.770 ( 7.046 6.038 -6.727) 11.461 16.052 ( -4.254 -1.630 -6.067) 7.587 22.749 ( -0.168 1.430 5.328) 5.519 22.786 ( 0.495 -0.040 6.204) 6.224 23.064 ( 1.083 2.192 8.266) 8.621 23.128 ( -3.413 1.687 7.103) 8.059 23.773 ( 2.703 2.233 -0.163) 3.510 23.924 ( -2.178 -1.369 1.701) 3.084 24.503 ( 8.282 -1.430 -7.979) 11.589 24.685 ( -5.718 -3.588 -8.023) 10.485 ======================= Grid point 189 (69/144) ======================= q-point: ( 0.00 -0.50 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.278 ( 0.000 0.000 12.592) 12.592 2.495 ( 0.000 0.000 5.464) 5.464 3.059 ( 0.000 0.000 13.837) 13.837 3.227 ( 0.000 0.000 7.479) 7.479 3.240 ( 0.000 -0.000 11.101) 11.101 3.856 ( 0.000 0.000 -5.592) 5.592 3.937 ( 0.000 0.000 8.393) 8.393 4.582 ( 0.000 0.000 12.156) 12.156 4.738 ( 0.000 0.000 -12.619) 12.619 4.995 ( 0.000 0.000 -6.516) 6.516 5.195 ( 0.000 0.000 -7.267) 7.267 5.430 ( 0.000 0.000 -8.858) 8.858 6.338 ( 0.000 0.000 -0.167) 0.167 6.521 ( 0.000 -0.000 -20.053) 20.053 6.631 ( 0.000 0.000 -18.744) 18.744 7.031 ( 0.000 0.000 -8.669) 8.669 8.837 ( 0.000 0.000 -4.851) 4.851 9.064 ( 0.000 0.000 -2.316) 2.316 9.413 ( 0.000 0.000 -18.048) 18.048 9.448 ( 0.000 0.000 5.307) 5.307 9.518 ( 0.000 -0.000 -7.846) 7.846 9.860 ( 0.000 0.000 3.756) 3.756 10.666 ( 0.000 0.000 -8.062) 8.062 10.736 ( 0.000 -0.000 -25.400) 25.400 11.207 ( 0.000 0.000 11.358) 11.358 11.753 ( 0.000 0.000 -2.405) 2.405 11.758 ( 0.000 0.000 -12.109) 12.109 11.925 ( 0.000 0.000 -9.451) 9.451 12.444 ( 0.000 0.000 14.704) 14.704 12.878 ( 0.000 0.000 13.330) 13.330 13.445 ( 0.000 0.000 12.762) 12.762 13.581 ( 0.000 0.000 -2.977) 2.977 13.741 ( 0.000 0.000 6.778) 6.778 13.787 ( 0.000 0.000 0.195) 0.195 14.162 ( 0.000 0.000 11.092) 11.092 14.367 ( 0.000 -0.000 19.015) 19.015 14.693 ( 0.000 0.000 19.826) 19.826 14.780 ( 0.000 0.000 10.368) 10.368 15.282 ( 0.000 0.000 1.778) 1.778 16.230 ( 0.000 0.000 -17.430) 17.430 22.737 ( 0.000 0.000 6.372) 6.372 22.803 ( 0.000 0.000 3.658) 3.658 23.072 ( 0.000 0.000 9.939) 9.939 23.488 ( 0.000 0.000 2.528) 2.528 23.496 ( 0.000 0.000 0.082) 0.082 24.045 ( 0.000 0.000 -3.701) 3.701 24.089 ( 0.000 0.000 0.536) 0.536 24.781 ( 0.000 0.000 -7.470) 7.470 ======================= Grid point 191 (70/144) ======================= q-point: ( 0.14 -0.50 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 210 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.340 ( 5.610 0.000 11.298) 12.614 2.457 ( -1.902 0.000 5.959) 6.255 2.769 ( -11.980 0.000 13.137) 17.780 3.431 ( 12.580 0.000 7.108) 14.449 3.629 ( 20.486 0.000 6.023) 21.353 3.824 ( -0.128 0.000 2.705) 2.708 3.898 ( -3.635 0.000 1.524) 3.942 4.674 ( -1.695 -0.000 -5.572) 5.824 4.680 ( 9.742 0.000 11.565) 15.121 5.096 ( 5.283 0.000 -11.504) 12.659 5.219 ( 2.939 0.000 -6.879) 7.481 5.441 ( 2.997 0.000 -8.607) 9.114 6.332 ( 0.101 0.000 -1.733) 1.736 6.517 ( -8.098 0.000 -14.775) 16.849 6.664 ( 12.400 0.000 -19.526) 23.131 7.120 ( 5.545 0.000 -12.018) 13.235 8.614 ( -20.508 -0.000 0.369) 20.511 8.823 ( -23.109 0.000 -1.571) 23.162 9.370 ( 2.771 -0.000 -6.989) 7.518 9.381 ( 0.592 0.000 -14.189) 14.201 9.790 ( 15.122 0.000 -1.092) 15.161 9.988 ( 9.213 0.000 1.160) 9.286 10.671 ( 0.247 0.000 -6.744) 6.749 10.742 ( -0.267 0.000 -23.608) 23.609 11.125 ( -7.626 0.000 10.056) 12.621 11.683 ( -6.774 0.000 -4.011) 7.873 11.768 ( 0.930 -0.000 -11.357) 11.395 11.905 ( -1.617 0.000 -6.759) 6.950 12.470 ( 2.370 0.000 13.089) 13.302 12.836 ( -4.507 0.000 8.468) 9.593 13.340 ( -5.902 0.000 10.225) 11.806 13.448 ( -8.063 -0.000 -2.161) 8.347 13.859 ( 6.528 0.000 8.399) 10.637 13.910 ( 7.551 -0.000 6.964) 10.272 14.171 ( 1.222 0.000 11.149) 11.216 14.369 ( 0.183 -0.000 17.438) 17.439 14.616 ( -5.641 -0.000 17.404) 18.296 14.723 ( -4.945 0.000 9.818) 10.993 15.400 ( 9.853 0.000 1.063) 9.910 16.212 ( -1.865 0.000 -15.908) 16.017 22.743 ( 0.545 0.000 6.457) 6.480 22.795 ( -0.707 0.000 4.164) 4.223 23.069 ( -0.206 0.000 9.804) 9.806 23.370 ( -6.252 0.000 2.570) 6.760 23.600 ( 5.025 0.000 0.925) 5.109 24.030 ( -1.656 0.000 -0.109) 1.659 24.153 ( 6.011 0.000 -3.769) 7.095 24.776 ( -0.695 0.000 -7.817) 7.848 ======================= Grid point 193 (71/144) ======================= q-point: ( 0.29 -0.50 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 210 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.438 ( 1.515 -0.000 12.197) 12.291 2.447 ( 0.516 0.000 6.214) 6.235 2.693 ( 6.279 0.000 9.019) 10.989 3.481 ( -6.546 0.000 -0.765) 6.590 3.736 ( -6.654 -0.000 9.449) 11.557 3.845 ( 0.362 0.000 -0.122) 0.382 4.074 ( 16.961 0.000 -0.977) 16.989 4.729 ( 2.895 0.000 0.408) 2.923 4.934 ( 11.753 0.000 2.572) 12.031 5.128 ( -0.188 0.000 -9.902) 9.904 5.385 ( 16.334 0.000 0.376) 16.338 5.668 ( 20.370 0.000 -8.917) 22.237 6.353 ( 2.048 0.000 -2.780) 3.452 6.383 ( -4.032 -0.000 -10.374) 11.130 6.958 ( 14.619 0.000 -20.394) 25.093 7.154 ( -4.235 0.000 -12.046) 12.769 8.118 ( -25.050 -0.000 -2.336) 25.158 8.217 ( -33.946 0.000 -4.107) 34.193 9.460 ( 6.614 0.000 -4.193) 7.831 9.518 ( 9.653 0.000 -4.474) 10.639 10.083 ( 13.529 0.000 -4.156) 14.153 10.170 ( 8.151 0.000 -1.198) 8.239 10.649 ( -3.960 -0.000 1.502) 4.235 10.692 ( -4.901 0.000 -18.594) 19.229 10.945 ( -7.415 0.000 -0.061) 7.415 11.470 ( -14.010 0.000 -6.324) 15.371 11.796 ( 1.748 0.000 -9.398) 9.560 11.882 ( -0.430 0.000 -4.743) 4.762 12.530 ( 3.160 0.000 8.772) 9.324 12.713 ( -6.184 -0.000 1.317) 6.323 13.270 ( -1.481 0.000 9.655) 9.768 13.313 ( -4.838 -0.000 -0.893) 4.920 13.945 ( 1.731 0.000 14.544) 14.647 13.990 ( 0.062 -0.000 16.524) 16.524 14.226 ( 3.678 0.000 10.253) 10.893 14.370 ( -0.466 0.000 13.262) 13.270 14.532 ( -1.630 0.000 11.577) 11.692 14.619 ( -4.238 0.000 8.853) 9.815 15.625 ( 11.375 -0.000 -1.615) 11.489 16.148 ( -4.535 0.000 -12.432) 13.234 22.758 ( 0.767 0.000 6.612) 6.656 22.782 ( -0.440 0.000 5.194) 5.213 23.068 ( 0.239 0.000 9.320) 9.323 23.245 ( -5.784 0.000 4.551) 7.360 23.701 ( 4.994 0.000 0.888) 5.072 23.979 ( -3.261 0.000 0.704) 3.336 24.312 ( 8.932 -0.000 -6.086) 10.808 24.741 ( -2.993 0.000 -8.301) 8.824 ======================= Grid point 195 (72/144) ======================= q-point: ( 0.43 -0.50 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 210 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.444 ( 0.405 0.000 12.317) 12.324 2.454 ( -0.197 -0.000 8.732) 8.734 2.939 ( 15.146 0.000 2.963) 15.433 3.253 ( -14.526 0.000 -0.811) 14.548 3.677 ( 1.351 -0.000 6.555) 6.693 3.762 ( -5.814 0.000 1.101) 5.918 4.397 ( 14.103 0.000 -1.866) 14.225 4.646 ( -9.703 0.000 -2.457) 10.009 5.084 ( 4.151 0.000 -7.669) 8.720 5.132 ( -0.578 0.000 -8.482) 8.502 5.859 ( 23.824 0.000 4.986) 24.340 6.079 ( 6.505 0.000 -3.151) 7.228 6.442 ( 8.408 0.000 -1.415) 8.526 6.466 ( 17.404 -0.000 -3.605) 17.773 6.905 ( -15.800 0.000 -5.900) 16.866 7.101 ( -10.545 0.000 -12.734) 16.533 7.616 ( -13.658 0.000 -15.037) 20.314 7.709 ( -13.823 0.000 -15.804) 20.996 9.619 ( 7.441 0.000 3.840) 8.373 9.675 ( 3.419 0.000 2.153) 4.041 10.314 ( 6.226 -0.000 -0.573) 6.252 10.340 ( 10.803 0.000 -7.968) 13.423 10.486 ( -8.865 0.000 7.455) 11.583 10.555 ( -8.069 -0.000 -11.721) 14.230 10.926 ( 5.607 0.000 -12.228) 13.452 11.152 ( -15.331 0.000 -9.938) 18.271 11.838 ( 2.172 0.000 -7.103) 7.428 11.873 ( -1.007 -0.000 -5.428) 5.521 12.584 ( 1.969 0.000 3.288) 3.832 12.623 ( -2.567 -0.000 -0.137) 2.570 13.251 ( -0.625 -0.000 7.218) 7.245 13.253 ( -1.194 0.000 3.062) 3.286 13.951 ( -0.243 -0.000 18.946) 18.947 13.962 ( -1.491 0.000 19.978) 20.033 14.290 ( 2.570 0.000 11.182) 11.474 14.339 ( -2.285 0.000 11.158) 11.389 14.541 ( 1.490 0.000 7.507) 7.653 14.568 ( -1.267 -0.000 7.657) 7.761 15.845 ( 9.965 0.000 -4.967) 11.135 16.025 ( -7.481 0.000 -8.579) 11.382 22.771 ( 0.483 -0.000 6.564) 6.582 22.777 ( -0.141 0.000 6.082) 6.083 23.086 ( 1.695 0.000 8.294) 8.466 23.143 ( -3.958 0.000 6.629) 7.721 23.803 ( 4.961 0.000 0.789) 5.024 23.900 ( -4.411 0.000 0.724) 4.470 24.495 ( 8.588 0.000 -7.440) 11.362 24.648 ( -6.164 0.000 -8.211) 10.267 ======================= Grid point 231 (73/144) ======================= q-point: ( 0.00 0.00 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.376 ( 0.000 0.000 20.698) 20.698 2.123 ( 0.000 0.000 31.101) 31.101 2.924 ( 0.000 0.000 2.521) 2.521 3.363 ( 0.000 0.000 12.674) 12.674 3.395 ( 0.000 0.000 -1.183) 1.183 3.573 ( 0.000 0.000 -9.419) 9.419 4.178 ( 0.000 0.000 -4.989) 4.989 4.178 ( 0.000 0.000 -3.033) 3.033 4.686 ( 0.000 0.000 -20.964) 20.964 5.189 ( 0.000 0.000 -8.856) 8.856 5.310 ( 0.000 0.000 4.774) 4.774 5.494 ( 0.000 0.000 -21.753) 21.753 5.873 ( 0.000 0.000 9.971) 9.971 6.659 ( 0.000 0.000 0.296) 0.296 6.775 ( 0.000 0.000 4.735) 4.735 7.205 ( 0.000 0.000 -26.248) 26.248 8.897 ( 0.000 0.000 -1.930) 1.930 9.070 ( 0.000 0.000 -5.187) 5.187 9.603 ( 0.000 0.000 6.373) 6.373 9.854 ( 0.000 0.000 -8.586) 8.586 9.858 ( 0.000 0.000 -2.132) 2.132 10.109 ( 0.000 0.000 -9.418) 9.418 10.782 ( 0.000 0.000 4.627) 4.627 11.151 ( 0.000 0.000 4.748) 4.748 11.261 ( 0.000 0.000 -9.333) 9.333 11.641 ( 0.000 0.000 -1.481) 1.481 11.768 ( 0.000 0.000 0.092) 0.092 11.839 ( 0.000 0.000 0.139) 0.139 12.796 ( 0.000 0.000 1.497) 1.497 13.044 ( 0.000 0.000 3.187) 3.187 13.210 ( 0.000 0.000 2.139) 2.139 13.241 ( 0.000 0.000 1.238) 1.238 13.432 ( 0.000 0.000 -1.702) 1.702 13.476 ( 0.000 0.000 -3.115) 3.115 14.088 ( 0.000 0.000 3.378) 3.378 14.247 ( 0.000 0.000 0.358) 0.358 14.589 ( 0.000 0.000 15.436) 15.436 14.969 ( 0.000 0.000 7.290) 7.290 15.126 ( 0.000 0.000 15.333) 15.333 16.023 ( 0.000 0.000 -3.878) 3.878 22.515 ( 0.000 0.000 1.622) 1.622 22.676 ( 0.000 0.000 -1.843) 1.843 23.343 ( 0.000 0.000 13.302) 13.302 23.495 ( 0.000 0.000 5.218) 5.218 23.542 ( 0.000 0.000 3.623) 3.623 24.075 ( 0.000 0.000 -7.270) 7.270 24.127 ( 0.000 0.000 -2.137) 2.137 24.693 ( 0.000 0.000 -9.601) 9.601 ======================= Grid point 232 (74/144) ======================= q-point: ( 0.14 0.00 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 210 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.544 ( 15.443 0.000 17.105) 23.045 2.198 ( 4.042 0.000 28.615) 28.899 3.014 ( 6.761 0.000 -7.046) 9.765 3.228 ( -10.876 0.000 -5.719) 12.288 3.481 ( 13.954 0.000 21.567) 25.687 3.866 ( 20.795 0.000 -1.585) 20.856 4.116 ( -5.278 0.000 -1.532) 5.496 4.147 ( -2.009 0.000 -5.634) 5.982 4.720 ( 2.622 0.000 -20.023) 20.194 5.030 ( -11.252 0.000 -10.748) 15.560 5.299 ( 1.160 0.000 1.581) 1.961 5.701 ( 15.557 0.000 -20.814) 25.985 6.017 ( 12.083 0.000 10.237) 15.837 6.614 ( -3.385 0.000 -0.106) 3.387 6.797 ( 2.451 0.000 4.569) 5.184 7.215 ( 0.449 0.000 -23.408) 23.412 8.692 ( -19.726 0.000 -1.049) 19.754 8.888 ( -17.765 0.000 -5.313) 18.542 9.515 ( -5.684 0.000 2.561) 6.235 9.725 ( -0.284 0.000 -7.777) 7.782 10.120 ( 12.378 0.000 -3.328) 12.818 10.198 ( 6.866 0.000 -4.409) 8.160 10.709 ( -7.294 0.000 6.416) 9.714 11.152 ( 0.941 0.000 1.804) 2.035 11.271 ( -0.734 0.000 -9.844) 9.871 11.486 ( -9.558 0.000 1.621) 9.694 11.817 ( -1.936 0.000 1.398) 2.388 11.878 ( 5.860 0.000 -5.359) 7.941 12.804 ( 1.112 0.000 3.184) 3.373 13.003 ( -3.825 0.000 3.381) 5.105 13.183 ( 0.790 0.000 -0.187) 0.812 13.221 ( -1.684 0.000 0.027) 1.684 13.452 ( 1.793 0.000 -0.878) 1.996 13.557 ( 4.447 0.000 -2.511) 5.107 14.030 ( -5.100 0.000 3.021) 5.928 14.126 ( -9.760 0.000 1.585) 9.888 14.621 ( 3.003 0.000 17.994) 18.243 14.970 ( -0.371 0.000 14.264) 14.269 15.267 ( 11.974 0.000 7.032) 13.887 16.036 ( 0.786 0.000 -5.054) 5.114 22.520 ( 0.513 0.000 1.462) 1.550 22.665 ( -1.037 0.000 -1.659) 1.957 23.312 ( -2.863 0.000 12.744) 13.062 23.364 ( -8.145 0.000 8.765) 11.965 23.603 ( 2.795 0.000 1.624) 3.232 23.942 ( -6.249 0.000 -4.040) 7.441 24.305 ( 10.455 0.000 -5.137) 11.648 24.765 ( 5.467 0.000 -11.243) 12.502 ======================= Grid point 233 (75/144) ======================= q-point: ( 0.29 0.00 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 210 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.949 ( 22.892 0.000 10.125) 25.031 2.256 ( 3.419 0.000 26.989) 27.204 2.972 ( -14.135 0.000 -0.795) 14.158 3.058 ( -3.995 0.000 -13.219) 13.809 3.940 ( 23.241 0.000 15.821) 28.115 4.027 ( 1.686 0.000 7.523) 7.709 4.079 ( -0.634 0.000 -6.619) 6.649 4.294 ( 13.184 0.000 1.515) 13.270 4.768 ( 1.881 0.000 -14.825) 14.944 4.793 ( -11.295 0.000 -11.080) 15.822 5.461 ( 16.476 0.000 -6.558) 17.733 6.021 ( 12.882 0.000 -19.676) 23.518 6.287 ( 13.320 0.000 9.680) 16.466 6.599 ( 4.931 0.000 -3.755) 6.198 6.888 ( 6.579 0.000 3.070) 7.260 7.202 ( -2.243 0.000 -16.838) 16.987 8.150 ( -31.277 0.000 0.507) 31.281 8.386 ( -29.788 0.000 -6.082) 30.403 9.452 ( 0.350 0.000 0.444) 0.566 9.805 ( 5.518 0.000 -6.985) 8.901 10.263 ( -1.466 0.000 2.510) 2.907 10.335 ( 5.736 0.000 1.276) 5.876 10.587 ( 0.619 0.000 3.507) 3.561 11.120 ( -13.111 0.000 -3.523) 13.576 11.177 ( 0.683 0.000 -3.075) 3.150 11.367 ( -3.158 0.000 -6.610) 7.326 11.794 ( 0.849 0.000 1.604) 1.815 11.954 ( 1.315 0.000 -8.042) 8.149 12.855 ( 3.921 0.000 4.950) 6.315 12.946 ( -1.242 0.000 1.132) 1.680 13.186 ( -1.273 0.000 -0.913) 1.566 13.236 ( 3.107 0.000 -0.788) 3.206 13.503 ( 3.204 0.000 -0.599) 3.260 13.596 ( -0.461 0.000 -1.220) 1.305 13.907 ( -6.472 0.000 2.430) 6.913 13.920 ( -9.462 0.000 3.158) 9.975 14.704 ( 4.855 0.000 20.995) 21.549 14.948 ( -1.778 0.000 18.086) 18.173 15.539 ( 13.491 0.000 1.310) 13.554 16.032 ( -1.648 0.000 -5.899) 6.125 22.537 ( 1.094 0.000 1.009) 1.488 22.637 ( -1.695 0.000 -1.144) 2.045 23.220 ( -5.333 0.000 10.784) 12.031 23.240 ( -3.853 0.000 11.578) 12.202 23.656 ( 2.534 0.000 0.664) 2.620 23.838 ( -4.085 0.000 -2.352) 4.714 24.520 ( 10.197 0.000 -6.546) 12.117 24.850 ( 1.891 0.000 -12.031) 12.179 ======================= Grid point 234 (76/144) ======================= q-point: ( 0.43 0.00 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 210 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.394 ( 10.418 0.000 20.153) 22.687 2.425 ( 22.267 0.000 2.982) 22.465 2.671 ( -14.356 0.000 8.718) 16.796 2.844 ( -16.298 0.000 -6.071) 17.392 4.011 ( 2.476 0.000 -4.224) 4.897 4.060 ( -1.489 0.000 -7.530) 7.676 4.434 ( 3.326 0.000 1.787) 3.775 4.435 ( 12.825 0.000 15.962) 20.476 4.619 ( -1.585 0.000 -11.960) 12.064 4.754 ( -4.890 0.000 -6.917) 8.471 5.888 ( 19.394 0.000 -10.044) 21.841 6.114 ( -3.443 0.000 -10.464) 11.015 6.600 ( 19.963 0.000 5.724) 20.767 6.875 ( 15.605 0.000 -11.916) 19.634 7.034 ( 5.721 0.000 -3.772) 6.853 7.073 ( -11.847 0.000 -9.730) 15.331 7.567 ( -17.598 0.000 3.653) 17.974 7.757 ( -28.578 0.000 -5.194) 29.047 9.547 ( 8.979 0.000 1.723) 9.142 9.773 ( -10.214 0.000 1.328) 10.300 10.265 ( 6.751 0.000 -0.826) 6.801 10.390 ( -1.793 0.000 2.107) 2.766 10.695 ( 6.339 0.000 4.159) 7.581 10.852 ( -10.946 0.000 0.935) 10.986 11.194 ( 2.251 0.000 -9.962) 10.213 11.281 ( -5.241 0.000 -12.078) 13.166 11.855 ( 4.297 0.000 -1.066) 4.427 11.935 ( -2.880 0.000 -5.001) 5.771 12.931 ( 2.272 0.000 2.072) 3.075 12.942 ( 0.356 0.000 0.014) 0.357 13.195 ( 2.668 0.000 0.379) 2.694 13.259 ( -1.736 0.000 0.021) 1.736 13.574 ( 2.924 0.000 -1.977) 3.529 13.585 ( 0.457 0.000 -0.789) 0.912 13.767 ( -4.523 0.000 4.617) 6.463 13.783 ( -4.981 0.000 3.151) 5.894 14.807 ( 4.935 0.000 21.259) 21.825 14.895 ( -3.531 0.000 20.009) 20.318 15.788 ( 10.455 0.000 -2.128) 10.669 15.956 ( -5.971 0.000 -4.674) 7.583 22.564 ( 1.583 0.000 0.346) 1.621 22.600 ( -1.834 0.000 -0.419) 1.881 23.155 ( -0.999 0.000 10.855) 10.901 23.172 ( -2.388 0.000 10.841) 11.101 23.709 ( 2.707 0.000 0.009) 2.707 23.767 ( -3.047 0.000 -0.926) 3.184 24.708 ( 7.937 0.000 -8.431) 11.579 24.830 ( -3.733 0.000 -10.567) 11.207 ======================= Grid point 238 (77/144) ======================= q-point: ( 0.00 0.10 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.624 ( 0.000 22.030 15.941) 27.193 2.227 ( 0.000 10.317 28.946) 30.729 2.915 ( 0.000 -1.235 11.266) 11.333 3.307 ( 0.000 -4.055 3.063) 5.082 3.435 ( 0.000 3.918 -0.742) 3.988 3.644 ( 0.000 6.269 -9.635) 11.495 4.050 ( 0.000 -2.489 -0.652) 2.573 4.368 ( 0.000 9.132 0.216) 9.135 4.672 ( 0.000 -1.700 -20.391) 20.462 5.132 ( 0.000 -5.242 -4.163) 6.694 5.317 ( 0.000 0.630 -2.480) 2.559 5.366 ( 0.000 -12.464 -13.723) 18.538 5.855 ( 0.000 -1.797 2.690) 3.235 6.574 ( 0.000 -6.252 2.168) 6.617 6.824 ( 0.000 2.635 1.006) 2.821 7.167 ( 0.000 -4.337 -27.040) 27.386 8.884 ( 0.000 -1.235 -1.905) 2.270 9.049 ( 0.000 -2.343 -5.349) 5.840 9.447 ( 0.000 -10.849 6.450) 12.621 9.829 ( 0.000 -2.406 -7.365) 7.748 9.923 ( 0.000 1.726 -5.219) 5.497 10.113 ( 0.000 0.490 -9.618) 9.631 10.694 ( 0.000 -8.777 5.176) 10.190 11.146 ( 0.000 0.562 6.977) 7.000 11.194 ( 0.000 -6.630 -7.791) 10.230 11.678 ( 0.000 2.907 -2.447) 3.800 11.702 ( 0.000 -3.625 -2.866) 4.621 11.851 ( 0.000 -1.365 -2.578) 2.918 12.709 ( 0.000 -5.715 5.508) 7.938 13.136 ( 0.000 6.331 3.019) 7.014 13.203 ( 0.000 5.833 4.788) 7.546 13.378 ( 0.000 -2.745 -1.666) 3.211 13.469 ( 0.000 14.839 2.343) 15.023 13.561 ( 0.000 5.774 -4.305) 7.203 14.104 ( 0.000 0.613 2.624) 2.695 14.296 ( 0.000 5.972 -0.136) 5.973 14.629 ( 0.000 4.032 14.840) 15.378 15.001 ( 0.000 3.194 6.832) 7.542 15.101 ( 0.000 -2.491 15.897) 16.091 15.982 ( 0.000 -3.669 -3.671) 5.190 22.555 ( 0.000 3.902 1.701) 4.257 22.717 ( 0.000 3.754 -1.433) 4.018 23.328 ( 0.000 -1.388 12.912) 12.987 23.499 ( 0.000 0.455 5.102) 5.122 23.537 ( 0.000 -0.540 3.408) 3.450 24.065 ( 0.000 -1.012 -7.072) 7.144 24.081 ( 0.000 -3.727 0.172) 3.731 24.710 ( 0.000 1.131 -10.750) 10.810 ======================= Grid point 239 (78/144) ======================= q-point: ( 0.14 0.10 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 350 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.648 ( 4.774 10.387 17.263) 20.705 2.328 ( 6.126 11.838 26.515) 29.677 2.969 ( 0.085 -1.698 -5.656) 5.907 3.361 ( 2.566 6.328 5.812) 8.967 3.429 ( 8.325 -0.077 4.468) 9.449 3.839 ( 11.850 -2.853 -1.679) 12.303 4.083 ( 6.655 3.242 0.045) 7.403 4.292 ( -6.014 7.639 1.190) 9.795 4.688 ( 0.593 -3.241 -18.949) 19.234 5.025 ( -8.048 -0.776 -10.124) 12.956 5.252 ( 1.556 -4.314 -2.407) 5.179 5.630 ( 17.164 -6.867 -12.408) 22.265 5.990 ( 11.603 -2.550 2.403) 12.120 6.552 ( -1.578 -4.952 1.492) 5.408 6.812 ( -0.646 0.064 0.425) 0.776 7.186 ( 1.582 -2.975 -23.050) 23.295 8.686 ( -19.371 -0.511 -0.931) 19.400 8.886 ( -17.119 -0.392 -5.553) 18.001 9.398 ( -1.921 -9.805 3.930) 10.736 9.697 ( -2.959 -3.220 -7.670) 8.829 10.119 ( 9.129 -0.017 -7.205) 11.630 10.214 ( 8.648 -0.328 -3.984) 9.527 10.653 ( -4.528 -5.601 6.020) 9.387 11.100 ( -2.384 -3.276 4.976) 6.417 11.216 ( 0.193 -5.164 -8.486) 9.936 11.551 ( -8.723 4.204 -1.497) 9.799 11.762 ( 2.065 -3.419 -1.273) 4.192 11.851 ( 0.491 -3.264 -4.975) 5.970 12.731 ( 2.163 -5.081 5.592) 7.859 13.067 ( -5.124 4.227 3.742) 7.624 13.222 ( 0.426 3.420 2.891) 4.499 13.277 ( -3.867 4.668 -2.284) 6.478 13.523 ( 2.242 6.712 0.089) 7.077 13.651 ( 5.707 9.408 -2.173) 11.216 14.037 ( -5.774 1.026 3.421) 6.789 14.218 ( -6.393 8.724 0.542) 10.829 14.646 ( 1.786 2.618 17.420) 17.706 14.958 ( -1.931 -1.142 14.696) 14.866 15.263 ( 12.025 -0.290 6.778) 13.807 16.001 ( 1.350 -3.101 -4.893) 5.948 22.560 ( 0.511 3.895 1.550) 4.223 22.705 ( -1.068 3.739 -1.296) 4.099 23.301 ( -2.551 -1.023 12.444) 12.744 23.368 ( -7.674 0.427 8.446) 11.420 23.609 ( 3.024 0.453 1.423) 3.372 23.938 ( -5.232 -0.215 -3.033) 6.052 24.264 ( 10.236 -3.831 -4.269) 11.733 24.762 ( 4.002 -0.560 -11.662) 12.342 ======================= Grid point 240 (79/144) ======================= q-point: ( 0.29 0.10 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 350 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.842 ( 13.307 -4.470 15.354) 20.804 2.465 ( 9.134 15.003 22.415) 28.477 2.824 ( -12.642 -6.884 -5.500) 15.410 3.278 ( -7.344 13.958 -7.815) 17.602 3.828 ( 16.035 -8.444 5.654) 18.984 3.955 ( 6.352 -2.549 5.672) 8.890 4.192 ( -1.167 4.717 5.028) 6.993 4.358 ( 12.468 5.164 3.311) 13.896 4.653 ( -4.348 -4.716 -14.862) 16.187 4.904 ( -2.124 5.072 -10.884) 12.194 5.435 ( 17.067 -1.905 -8.582) 19.198 5.998 ( 16.669 -2.765 -12.496) 21.016 6.265 ( 14.837 -2.434 -0.236) 15.037 6.557 ( 4.167 -3.787 0.080) 5.632 6.820 ( 1.701 -6.419 -2.053) 6.950 7.215 ( 0.960 0.607 -14.038) 14.084 8.145 ( -31.634 -0.373 0.352) 31.638 8.377 ( -30.784 -1.127 -5.653) 31.319 9.409 ( 3.217 -3.705 0.947) 4.998 9.758 ( 7.078 -4.405 -6.177) 10.376 10.214 ( -2.505 -2.801 -0.049) 3.758 10.348 ( 3.291 -2.049 0.093) 3.878 10.603 ( 3.966 1.855 2.090) 4.851 11.033 ( -6.638 -6.142 1.682) 9.199 11.162 ( -4.676 -3.495 -7.532) 9.530 11.375 ( -7.058 0.476 -5.251) 8.809 11.785 ( 1.274 -1.401 -0.119) 1.897 11.880 ( 1.527 -5.715 -6.678) 8.921 12.792 ( 3.512 -4.533 4.554) 7.323 12.975 ( -3.550 -0.288 1.163) 3.746 13.185 ( -1.491 3.007 1.697) 3.761 13.281 ( 1.404 2.442 -1.071) 3.013 13.566 ( 1.920 6.430 0.402) 6.722 13.718 ( 0.940 10.377 -1.426) 10.516 13.919 ( -4.720 5.696 3.886) 8.357 14.077 ( -6.857 11.648 1.436) 13.592 14.703 ( 3.683 -0.008 20.611) 20.937 14.922 ( -1.983 -2.651 18.078) 18.378 15.523 ( 12.468 -1.696 1.530) 12.675 16.013 ( -0.715 -1.699 -5.826) 6.111 22.576 ( 1.079 3.857 1.119) 4.158 22.676 ( -1.722 3.734 -0.884) 4.205 23.228 ( -4.542 0.642 10.934) 11.857 23.242 ( -3.831 0.526 11.174) 11.824 23.660 ( 2.210 0.432 0.426) 2.291 23.853 ( -3.217 1.565 -1.873) 4.038 24.475 ( 10.080 -4.387 -6.041) 12.544 24.822 ( 1.079 -2.763 -11.882) 12.247 ======================= Grid point 241 (80/144) ======================= q-point: ( 0.43 0.10 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 350 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.153 ( 16.622 -9.566 11.351) 22.286 2.507 ( -16.976 -8.900 3.342) 19.457 2.729 ( 15.519 15.673 12.151) 25.182 3.051 ( -14.529 13.674 0.483) 19.958 3.951 ( 3.239 -3.889 -3.092) 5.931 4.058 ( -0.125 -1.917 -5.054) 5.407 4.281 ( 5.714 -8.161 5.593) 11.425 4.433 ( -5.089 -4.488 -0.010) 6.785 4.677 ( 8.709 7.774 -5.228) 12.791 4.878 ( -2.648 7.853 -5.681) 10.048 5.809 ( 12.375 -4.899 -11.123) 17.345 6.229 ( 6.094 8.442 -10.875) 15.055 6.581 ( 17.460 -1.830 3.630) 17.926 6.804 ( 10.039 -10.493 -6.109) 15.755 6.882 ( 8.062 -4.985 -9.330) 13.301 7.208 ( -2.333 5.821 -7.222) 9.565 7.527 ( -21.033 -3.704 3.657) 21.667 7.717 ( -30.803 -3.947 -5.097) 31.471 9.546 ( 10.089 -0.078 1.488) 10.199 9.785 ( -8.794 1.037 0.475) 8.868 10.179 ( 5.669 -6.463 0.808) 8.635 10.385 ( -1.525 -1.826 -1.622) 2.880 10.729 ( 5.237 3.059 3.044) 6.786 10.840 ( -8.443 -1.727 1.798) 8.804 11.097 ( -1.119 -8.649 -8.704) 12.322 11.264 ( -3.901 -2.395 -11.505) 12.382 11.828 ( 2.399 -3.524 -2.655) 5.022 11.888 ( -0.740 -3.208 -3.943) 5.137 12.861 ( 3.062 -4.708 1.627) 5.848 12.917 ( -2.487 -4.000 -0.096) 4.711 13.184 ( 0.821 1.349 2.975) 3.368 13.294 ( -0.114 1.448 0.460) 1.524 13.589 ( 0.309 4.946 -0.475) 4.978 13.722 ( 0.027 8.372 0.173) 8.374 13.872 ( 0.559 13.960 2.515) 14.196 13.950 ( -5.228 12.980 2.499) 14.215 14.786 ( 3.996 -2.185 20.898) 21.389 14.871 ( -2.978 -2.306 20.173) 20.521 15.738 ( 7.505 -4.608 -1.817) 8.992 15.968 ( -3.078 0.946 -4.763) 5.749 22.603 ( 1.541 3.746 0.487) 4.080 22.639 ( -1.811 3.812 -0.240) 4.228 23.168 ( -1.131 1.181 11.033) 11.153 23.182 ( -1.953 1.140 10.841) 11.074 23.698 ( 1.254 -0.569 -0.132) 1.384 23.804 ( -1.461 3.199 -0.811) 3.609 24.660 ( 7.602 -4.767 -8.212) 12.163 24.794 ( -3.647 -3.560 -10.274) 11.469 ======================= Grid point 245 (81/144) ======================= q-point: ( 0.00 0.20 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.066 ( 0.000 20.677 11.083) 23.460 2.495 ( 0.000 16.711 23.817) 29.095 2.872 ( 0.000 -2.980 24.109) 24.292 3.249 ( 0.000 -1.948 -10.767) 10.942 3.530 ( 0.000 5.283 0.627) 5.320 3.792 ( 0.000 8.422 -10.164) 13.200 4.099 ( 0.000 7.383 6.769) 10.016 4.531 ( 0.000 8.460 5.458) 10.068 4.597 ( 0.000 -7.015 -15.658) 17.158 5.006 ( 0.000 -6.974 -1.077) 7.057 5.066 ( 0.000 -16.745 -6.806) 18.075 5.343 ( 0.000 1.913 -9.913) 10.096 5.817 ( 0.000 -1.546 -5.625) 5.834 6.456 ( 0.000 -5.656 1.446) 5.838 6.850 ( 0.000 0.190 -3.092) 3.098 7.024 ( 0.000 -10.579 -28.001) 29.933 8.858 ( 0.000 -1.257 -2.277) 2.601 8.977 ( 0.000 -4.772 -5.285) 7.121 9.279 ( 0.000 -6.003 4.834) 7.708 9.771 ( 0.000 -3.413 -4.620) 5.744 9.862 ( 0.000 -7.548 -9.269) 11.954 10.129 ( 0.000 1.137 -10.085) 10.149 10.464 ( 0.000 -14.199 5.088) 15.083 11.036 ( 0.000 -9.416 -7.349) 11.945 11.198 ( 0.000 4.504 9.115) 10.167 11.629 ( 0.000 -4.134 -5.258) 6.688 11.719 ( 0.000 0.993 -3.833) 3.959 11.809 ( 0.000 -1.994 -7.665) 7.920 12.640 ( 0.000 -1.029 10.882) 10.931 13.216 ( 0.000 0.909 7.461) 7.516 13.360 ( 0.000 1.635 -4.302) 4.602 13.387 ( 0.000 11.241 8.673) 14.198 13.668 ( 0.000 4.889 -4.988) 6.984 13.737 ( 0.000 11.847 5.341) 12.995 14.096 ( 0.000 -0.808 3.378) 3.473 14.476 ( 0.000 11.502 -0.180) 11.504 14.734 ( 0.000 6.527 13.310) 14.824 15.041 ( 0.000 -3.361 16.965) 17.294 15.086 ( 0.000 5.382 5.556) 7.735 15.912 ( 0.000 -3.024 -5.264) 6.071 22.653 ( 0.000 5.819 1.872) 6.113 22.796 ( 0.000 3.854 0.294) 3.865 23.299 ( 0.000 -1.385 12.082) 12.161 23.511 ( 0.000 0.805 4.780) 4.847 23.520 ( 0.000 -1.144 2.723) 2.954 24.027 ( 0.000 -1.230 2.670) 2.939 24.038 ( 0.000 -1.727 -6.537) 6.761 24.716 ( 0.000 -0.690 -11.471) 11.492 ======================= Grid point 246 (82/144) ======================= q-point: ( 0.14 0.20 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 350 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.912 ( -7.960 15.836 14.360) 22.811 2.564 ( 5.015 10.445 27.863) 30.176 2.988 ( -4.535 3.365 -4.396) 7.157 3.299 ( 17.309 -3.667 8.746) 19.737 3.623 ( 1.406 10.045 -6.561) 12.080 3.811 ( 4.266 1.484 -1.002) 4.627 4.208 ( 10.746 8.643 6.032) 15.052 4.396 ( -9.247 1.729 3.696) 10.107 4.623 ( 1.052 -1.477 -13.232) 13.356 4.969 ( -1.999 -5.157 -3.236) 6.408 5.169 ( 7.361 -4.201 -11.425) 14.225 5.480 ( 14.687 -6.969 -4.821) 16.956 5.934 ( 10.113 -2.792 -7.240) 12.747 6.457 ( 0.397 -4.479 1.180) 4.649 6.766 ( -5.821 -5.103 -8.534) 11.522 7.100 ( 5.254 -5.710 -19.526) 21.012 8.676 ( -18.620 -0.474 -0.913) 18.648 8.867 ( -16.121 -1.593 -6.029) 17.285 9.213 ( 1.029 -8.172 4.089) 9.195 9.614 ( -4.484 -5.084 -7.040) 9.773 10.067 ( 9.421 -6.895 -7.971) 14.136 10.185 ( 4.512 -0.758 -6.515) 7.961 10.503 ( 3.378 -9.614 3.610) 10.811 11.008 ( -3.337 -7.921 -3.012) 9.108 11.161 ( -2.595 1.579 3.544) 4.668 11.586 ( -6.747 -0.616 -3.913) 7.823 11.709 ( 1.004 -2.621 -4.637) 5.421 11.794 ( -1.026 -1.475 -5.761) 6.034 12.660 ( 1.911 -1.805 9.065) 9.438 13.102 ( -9.454 -0.355 4.552) 10.498 13.304 ( -0.180 3.861 0.549) 3.904 13.380 ( -4.340 5.532 1.360) 7.161 13.672 ( 2.668 8.899 2.141) 9.534 13.871 ( 7.196 10.966 1.374) 13.188 14.073 ( -1.132 2.993 4.366) 5.413 14.430 ( -4.047 12.350 0.464) 13.004 14.718 ( -1.091 4.503 15.820) 16.485 14.931 ( -4.793 -1.444 15.239) 16.040 15.263 ( 10.682 0.513 5.842) 12.186 15.942 ( 2.393 -2.508 -6.011) 6.939 22.657 ( 0.456 5.779 1.776) 6.063 22.786 ( -0.961 3.999 0.294) 4.123 23.281 ( -1.725 -0.902 11.903) 12.061 23.379 ( -6.570 0.763 7.216) 9.788 23.617 ( 3.667 0.302 1.185) 3.866 23.947 ( -3.040 1.413 -1.270) 3.584 24.179 ( 8.532 -4.613 -3.312) 10.249 24.737 ( 1.502 -2.117 -11.733) 12.017 ======================= Grid point 247 (83/144) ======================= q-point: ( 0.29 0.20 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 350 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.871 ( 4.413 7.535 14.471) 16.901 2.696 ( 2.250 4.446 18.714) 19.366 2.771 ( -7.332 4.718 1.204) 8.802 3.504 ( -7.858 6.193 -4.612) 11.018 3.707 ( 13.208 -2.293 1.438) 13.482 3.950 ( 6.937 3.550 1.613) 7.957 4.220 ( -6.047 -1.638 4.629) 7.789 4.424 ( 4.006 1.303 1.871) 4.609 4.658 ( 5.066 5.351 -6.162) 9.606 4.970 ( 2.022 1.873 -7.855) 8.324 5.423 ( 18.407 0.964 -12.612) 22.334 5.895 ( 23.870 -8.233 -1.653) 25.303 6.186 ( 15.108 -5.548 -11.683) 19.888 6.485 ( 2.237 -3.170 -1.771) 4.265 6.671 ( -2.276 -8.188 -6.786) 10.875 7.197 ( 3.901 -2.802 -11.488) 12.451 8.138 ( -32.318 -0.426 -0.186) 32.321 8.334 ( -32.721 -3.351 -4.542) 33.204 9.343 ( 8.848 -2.521 0.643) 9.223 9.662 ( 8.795 -4.977 -5.055) 11.299 10.135 ( -3.642 -6.230 -2.489) 7.634 10.282 ( 4.595 -2.700 -4.291) 6.843 10.614 ( 7.988 -2.271 -0.807) 8.344 10.905 ( -6.181 -7.149 0.596) 9.469 11.080 ( -6.787 -3.372 -2.257) 7.907 11.375 ( -11.672 -0.413 -4.460) 12.501 11.731 ( 0.316 -3.520 -4.105) 5.417 11.805 ( 2.305 -1.990 -4.151) 5.149 12.710 ( 2.686 -3.614 4.854) 6.621 12.928 ( -6.914 -3.392 0.873) 7.751 13.282 ( -3.608 4.526 2.397) 6.265 13.316 ( 0.260 1.626 -0.103) 1.650 13.731 ( 2.404 10.719 3.995) 11.689 13.918 ( -1.430 9.493 3.621) 10.261 14.111 ( 3.688 12.024 2.203) 12.768 14.337 ( -4.459 14.397 1.279) 15.126 14.707 ( 0.181 0.625 18.659) 18.670 14.856 ( -2.689 -3.851 17.935) 18.540 15.480 ( 9.923 -2.338 1.620) 10.322 15.982 ( 1.049 -1.267 -6.220) 6.434 22.671 ( 0.877 5.550 1.510) 5.819 22.760 ( -1.427 4.505 0.347) 4.739 23.235 ( -2.525 0.309 11.560) 11.837 23.269 ( -3.929 1.969 9.560) 10.522 23.672 ( 1.935 0.769 0.250) 2.097 23.900 ( -1.642 3.270 -0.889) 3.766 24.365 ( 9.311 -6.521 -5.379) 12.576 24.751 ( -0.633 -4.408 -11.420) 12.258 ======================= Grid point 248 (84/144) ======================= q-point: ( 0.43 0.20 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 350 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.070 ( 14.011 1.310 9.707) 17.096 2.404 ( -17.246 -1.097 3.381) 17.609 2.975 ( 13.709 8.834 14.649) 21.922 3.275 ( -13.227 7.920 6.027) 16.553 3.899 ( 6.052 -1.952 -3.279) 7.154 4.017 ( -0.184 -0.007 -4.193) 4.197 4.147 ( -1.465 -4.132 0.005) 4.384 4.385 ( -3.434 -0.415 -0.205) 3.465 4.825 ( 7.149 6.517 -2.010) 9.881 4.997 ( -0.092 4.169 -6.727) 7.914 5.750 ( 8.580 -1.083 -13.109) 15.705 6.363 ( 16.356 3.485 -11.948) 20.553 6.507 ( 9.334 -9.804 -6.588) 15.055 6.580 ( 8.842 -5.807 0.554) 10.593 6.789 ( 19.756 -5.689 -5.092) 21.180 7.257 ( 2.190 -1.603 -6.160) 6.731 7.451 ( -30.285 -3.407 1.809) 30.530 7.626 ( -33.616 -4.706 -5.989) 34.468 9.548 ( 10.910 0.370 0.864) 10.950 9.799 ( -3.795 -0.168 -0.861) 3.895 10.075 ( 5.350 -3.232 0.300) 6.257 10.331 ( -1.342 -3.135 -6.023) 6.922 10.765 ( -1.465 -4.264 1.176) 4.659 10.785 ( 0.855 -0.303 1.588) 1.829 10.915 ( -4.745 -8.588 -4.449) 10.774 11.187 ( -6.135 -5.254 -9.743) 12.656 11.735 ( 0.182 -4.377 -3.797) 5.797 11.851 ( 1.464 -1.271 -3.710) 4.186 12.760 ( 2.029 -5.499 0.838) 5.921 12.825 ( -3.165 -4.845 -0.062) 5.788 13.237 ( -0.900 3.039 3.514) 4.732 13.318 ( -0.084 1.189 0.976) 1.541 13.758 ( 0.368 12.255 3.206) 12.673 13.897 ( -0.208 9.442 5.615) 10.987 14.156 ( 0.659 13.131 2.764) 13.435 14.270 ( -1.753 18.902 -1.093) 19.014 14.722 ( 0.868 -4.339 19.465) 19.962 14.816 ( -1.164 -3.076 20.591) 20.852 15.637 ( 4.623 -5.032 -1.658) 7.031 15.983 ( -0.501 0.459 -4.987) 5.033 22.691 ( 0.894 4.844 1.170) 5.062 22.733 ( -1.113 5.474 0.535) 5.612 23.193 ( -1.144 1.404 11.458) 11.600 23.218 ( -1.229 2.406 10.424) 10.769 23.699 ( 0.680 0.740 -0.057) 1.007 23.878 ( -0.561 4.176 -0.524) 4.246 24.537 ( 6.724 -7.479 -7.978) 12.838 24.704 ( -3.479 -5.402 -9.700) 11.635 ======================= Grid point 252 (85/144) ======================= q-point: ( 0.00 0.30 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.369 ( 0.000 10.961 12.533) 16.650 2.811 ( 0.000 -3.351 18.853) 19.148 2.839 ( 0.000 18.135 17.757) 25.380 3.224 ( 0.000 -0.377 -4.564) 4.579 3.612 ( 0.000 2.431 3.001) 3.862 3.890 ( 0.000 -0.154 -7.710) 7.712 4.339 ( 0.000 16.935 6.623) 18.184 4.380 ( 0.000 -14.230 -1.778) 14.341 4.695 ( 0.000 7.048 6.127) 9.339 4.787 ( 0.000 -11.935 -11.831) 16.805 4.929 ( 0.000 1.267 -1.564) 2.013 5.367 ( 0.000 -0.007 -10.263) 10.263 5.821 ( 0.000 2.638 -10.823) 11.140 6.366 ( 0.000 -3.418 -0.265) 3.428 6.769 ( 0.000 -15.210 -27.114) 31.089 6.842 ( 0.000 -0.727 -7.312) 7.348 8.826 ( 0.000 -2.691 -3.371) 4.313 8.906 ( 0.000 -1.357 -6.742) 6.877 9.205 ( 0.000 -2.145 2.432) 3.243 9.676 ( 0.000 -10.590 -9.797) 14.427 9.699 ( 0.000 -4.191 -0.638) 4.239 10.140 ( 0.000 -3.619 -2.044) 4.156 10.211 ( 0.000 -7.078 -5.877) 9.200 10.828 ( 0.000 -11.888 -9.482) 15.206 11.291 ( 0.000 4.516 8.318) 9.465 11.569 ( 0.000 -1.603 -5.882) 6.097 11.718 ( 0.000 -0.807 -4.060) 4.140 11.775 ( 0.000 -1.806 -10.061) 10.222 12.664 ( 0.000 3.037 14.536) 14.850 13.187 ( 0.000 -2.853 8.647) 9.106 13.425 ( 0.000 4.096 -3.555) 5.423 13.575 ( 0.000 7.303 10.628) 12.895 13.739 ( 0.000 2.407 -4.125) 4.776 13.881 ( 0.000 2.063 4.779) 5.206 14.134 ( 0.000 6.324 7.735) 9.991 14.687 ( 0.000 8.952 6.168) 10.872 14.862 ( 0.000 6.202 11.797) 13.328 14.989 ( 0.000 -1.372 16.663) 16.720 15.196 ( 0.000 5.625 3.892) 6.840 15.875 ( 0.000 -0.929 -10.111) 10.154 22.760 ( 0.000 4.829 2.165) 5.292 22.850 ( 0.000 1.629 2.717) 3.168 23.282 ( 0.000 -0.311 11.402) 11.406 23.503 ( 0.000 -0.391 1.836) 1.877 23.529 ( 0.000 0.920 4.340) 4.436 24.002 ( 0.000 -1.866 -5.832) 6.123 24.036 ( 0.000 1.870 2.769) 3.341 24.685 ( 0.000 -2.312 -10.737) 10.983 ======================= Grid point 253 (86/144) ======================= q-point: ( 0.14 0.30 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 350 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.217 ( -10.088 14.993 10.511) 20.906 2.690 ( 1.428 2.852 27.257) 27.443 3.045 ( -6.819 0.839 -0.905) 6.930 3.304 ( 16.755 5.305 5.568) 18.436 3.699 ( 2.672 -0.840 0.638) 2.873 3.908 ( 5.622 5.419 -4.496) 9.010 4.282 ( -5.735 -8.764 1.294) 10.553 4.431 ( 4.250 11.279 4.841) 12.989 4.681 ( 2.255 4.455 -3.321) 5.997 4.880 ( 5.254 -2.493 1.450) 5.993 5.077 ( 14.585 -3.784 -9.693) 17.916 5.393 ( 4.917 -2.849 -7.186) 9.162 5.906 ( 7.099 0.593 -12.331) 14.241 6.389 ( 2.155 -2.558 -1.266) 3.577 6.618 ( -7.703 -9.871 -18.151) 22.051 6.987 ( 7.537 -5.406 -13.862) 16.678 8.663 ( -17.888 -1.083 -1.022) 17.950 8.824 ( -17.571 -2.707 -5.743) 18.683 9.110 ( 3.485 -2.217 0.859) 4.219 9.497 ( -3.898 -7.267 -6.460) 10.476 9.912 ( 8.657 -7.286 -5.125) 12.421 10.169 ( 2.699 -2.551 -5.232) 6.416 10.326 ( 8.985 -6.466 -2.918) 11.447 10.822 ( -1.109 -10.714 -7.807) 13.303 11.226 ( -6.113 3.768 7.360) 10.283 11.560 ( -3.691 -1.126 -4.373) 5.832 11.663 ( -1.730 -2.033 -6.286) 6.829 11.780 ( -0.477 -0.571 -6.762) 6.803 12.663 ( -0.046 1.860 11.894) 12.039 13.073 ( -10.388 -2.393 5.736) 12.105 13.362 ( -2.576 2.278 -1.446) 3.731 13.455 ( -7.117 2.156 2.042) 7.712 13.850 ( 6.137 8.249 7.291) 12.604 14.010 ( 8.171 3.565 2.700) 9.315 14.171 ( 4.128 7.125 6.896) 10.740 14.655 ( -3.170 9.891 6.160) 12.076 14.794 ( -4.378 2.509 15.535) 16.334 14.922 ( -5.691 1.113 13.268) 14.480 15.295 ( 7.780 3.167 3.422) 9.070 15.910 ( 2.786 -1.040 -9.418) 9.876 22.764 ( 0.365 4.837 2.189) 5.322 22.844 ( -0.470 1.941 2.692) 3.352 23.271 ( -0.993 0.009 11.400) 11.444 23.399 ( -5.276 1.242 5.417) 7.663 23.621 ( 4.261 0.227 1.531) 4.534 23.993 ( -0.860 3.090 -1.004) 3.361 24.096 ( 5.573 -3.725 -2.718) 7.233 24.685 ( -0.255 -3.066 -10.922) 11.347 ======================= Grid point 254 (87/144) ======================= q-point: ( 0.29 0.30 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 350 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.101 ( -0.343 14.999 11.075) 18.648 2.719 ( -6.635 1.060 8.227) 10.623 2.891 ( 1.175 4.022 16.040) 16.578 3.499 ( -2.936 -3.013 -0.447) 4.230 3.715 ( 5.322 1.245 3.975) 6.758 4.113 ( 9.165 9.722 -4.384) 14.062 4.151 ( -6.369 -4.320 -1.754) 7.893 4.459 ( -1.602 3.281 3.962) 5.388 4.788 ( 6.906 6.549 1.356) 9.613 4.990 ( 4.070 0.618 -5.181) 6.617 5.455 ( 20.858 1.550 -13.435) 24.858 5.699 ( 25.581 -10.861 1.715) 27.844 6.079 ( 10.745 -4.510 -12.024) 16.744 6.406 ( -1.440 -6.570 -17.796) 19.024 6.560 ( 3.611 -1.547 -3.076) 4.989 7.111 ( 4.319 -5.867 -10.965) 13.165 8.125 ( -32.933 -1.020 -0.936) 32.962 8.252 ( -33.980 -4.815 -3.591) 34.507 9.325 ( 12.788 0.593 -1.193) 12.857 9.568 ( 10.371 -4.842 -3.946) 12.107 10.015 ( 1.707 -4.694 -4.795) 6.924 10.245 ( 3.989 -1.901 -6.391) 7.770 10.509 ( 8.323 -6.997 -3.383) 11.387 10.773 ( -3.107 -6.584 -3.197) 7.952 11.048 ( -11.407 -0.403 4.679) 12.336 11.366 ( -13.548 -0.358 -4.146) 14.173 11.675 ( 0.918 -2.069 -5.273) 5.738 11.783 ( 1.629 -0.522 -4.791) 5.087 12.663 ( 0.048 -1.144 5.628) 5.743 12.860 ( -8.811 -3.532 1.391) 9.594 13.314 ( -2.677 0.149 -0.472) 2.722 13.361 ( -1.820 2.027 2.616) 3.777 13.952 ( 4.020 10.728 9.922) 15.156 14.092 ( 0.466 8.817 5.299) 10.297 14.304 ( 6.836 7.188 3.442) 10.500 14.575 ( -3.449 8.638 8.975) 12.925 14.736 ( -2.061 1.577 15.098) 15.319 14.795 ( -5.405 -0.987 13.977) 15.018 15.460 ( 7.606 1.113 0.079) 7.687 15.960 ( 1.726 -1.262 -7.598) 7.893 22.772 ( 0.370 4.559 2.350) 5.143 22.835 ( -0.335 3.025 2.466) 3.917 23.246 ( -1.385 0.831 11.298) 11.412 23.309 ( -3.336 2.061 8.006) 8.915 23.691 ( 2.599 1.148 0.738) 2.936 23.971 ( -1.193 3.607 0.379) 3.818 24.242 ( 8.106 -5.696 -5.919) 11.540 24.663 ( -2.132 -4.459 -10.756) 11.837 ======================= Grid point 255 (88/144) ======================= q-point: ( 0.43 0.30 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 350 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.197 ( 8.737 11.095 8.169) 16.315 2.465 ( -13.304 6.848 5.250) 15.857 3.058 ( 10.129 0.360 14.785) 17.926 3.333 ( -9.802 -1.047 9.286) 13.543 3.843 ( 4.816 -3.101 0.215) 5.732 4.036 ( -4.135 -0.515 -2.999) 5.134 4.223 ( 2.209 11.550 -6.550) 13.460 4.408 ( -2.129 2.695 3.478) 4.888 4.904 ( 3.331 1.385 0.712) 3.677 5.038 ( 1.038 0.331 -7.992) 8.066 5.758 ( 6.287 1.610 -15.125) 16.459 6.203 ( 9.181 -13.919 -8.033) 18.509 6.403 ( 22.790 -2.613 -4.225) 23.325 6.545 ( 16.483 -2.751 -14.703) 22.258 6.694 ( 13.299 -2.081 1.414) 13.535 7.150 ( -2.671 -8.293 -4.410) 9.765 7.407 ( -32.778 -1.538 -2.677) 32.923 7.548 ( -30.390 -3.506 -8.125) 31.653 9.565 ( 10.009 1.528 0.242) 10.128 9.766 ( 1.954 -2.791 -1.730) 3.821 10.074 ( 8.262 2.648 -1.923) 8.886 10.282 ( -1.602 -1.559 -8.247) 8.544 10.620 ( 1.880 -8.568 -0.964) 8.825 10.743 ( -6.108 -4.314 4.353) 8.653 10.821 ( -0.448 -2.293 -3.724) 4.396 11.085 ( -11.793 -4.555 -6.635) 14.277 11.687 ( 0.343 -0.676 -4.107) 4.176 11.826 ( 1.556 -1.456 -4.763) 5.218 12.667 ( 0.374 -3.790 0.680) 3.868 12.736 ( -3.315 -4.341 -0.129) 5.464 13.283 ( -0.428 1.703 2.702) 3.222 13.337 ( -0.768 0.794 1.788) 2.102 14.019 ( 2.397 12.779 8.685) 15.636 14.076 ( -1.315 9.490 7.832) 12.374 14.378 ( 0.543 9.810 2.732) 10.198 14.565 ( 2.547 6.318 8.726) 11.070 14.651 ( -4.719 0.741 11.436) 12.393 14.759 ( 0.080 -2.360 19.181) 19.326 15.578 ( 3.346 -0.179 -3.085) 4.555 15.977 ( 0.167 -1.314 -5.491) 5.649 22.777 ( 0.121 3.991 2.637) 4.785 22.832 ( -0.048 4.327 2.050) 4.788 23.222 ( -0.705 1.595 11.125) 11.260 23.265 ( -1.051 2.193 9.739) 10.038 23.728 ( 0.977 2.224 0.396) 2.462 23.951 ( -0.607 2.807 0.720) 2.960 24.397 ( 5.965 -6.272 -8.651) 12.238 24.599 ( -3.526 -5.289 -9.360) 11.314 ======================= Grid point 259 (89/144) ======================= q-point: ( 0.00 0.40 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.519 ( 0.000 5.570 16.864) 17.760 2.735 ( 0.000 -4.629 9.840) 10.875 3.166 ( 0.000 15.086 12.073) 19.322 3.251 ( 0.000 3.154 6.625) 7.338 3.590 ( 0.000 -5.178 6.532) 8.335 3.804 ( 0.000 -6.928 -5.884) 9.089 4.155 ( 0.000 -6.955 5.966) 9.163 4.584 ( 0.000 -8.984 -12.830) 15.663 4.663 ( 0.000 14.068 -1.071) 14.109 4.782 ( 0.000 3.293 3.346) 4.695 5.041 ( 0.000 6.853 0.765) 6.896 5.339 ( 0.000 -2.361 -6.044) 6.489 5.929 ( 0.000 8.323 -16.379) 18.372 6.326 ( 0.000 -0.951 -1.528) 1.799 6.466 ( 0.000 -15.398 -24.141) 28.634 6.829 ( 0.000 -0.481 -10.643) 10.654 8.767 ( 0.000 -2.602 -4.297) 5.023 8.913 ( 0.000 1.082 -9.683) 9.743 9.191 ( 0.000 0.641 0.055) 0.643 9.486 ( 0.000 -8.329 -7.664) 11.319 9.613 ( 0.000 -4.191 4.225) 5.950 9.982 ( 0.000 -6.649 2.803) 7.216 10.237 ( 0.000 4.078 -15.327) 15.861 10.601 ( 0.000 -10.820 -11.623) 15.879 11.357 ( 0.000 2.237 6.908) 7.261 11.562 ( 0.000 0.391 -6.474) 6.486 11.701 ( 0.000 -0.712 -3.601) 3.670 11.740 ( 0.000 -1.565 -10.170) 10.289 12.733 ( 0.000 3.491 16.456) 16.822 13.129 ( 0.000 -2.808 8.735) 9.175 13.496 ( 0.000 2.892 -2.665) 3.932 13.664 ( 0.000 2.354 10.633) 10.890 13.765 ( 0.000 0.544 -2.952) 3.002 13.867 ( 0.000 -1.718 3.997) 4.351 14.295 ( 0.000 8.321 11.408) 14.120 14.768 ( 0.000 -0.410 15.443) 15.449 14.959 ( 0.000 3.604 10.957) 11.534 15.018 ( 0.000 3.743 14.910) 15.373 15.288 ( 0.000 3.563 2.577) 4.398 15.866 ( 0.000 -0.168 -15.835) 15.836 22.829 ( 0.000 2.349 2.934) 3.759 22.864 ( 0.000 0.096 3.785) 3.786 23.285 ( 0.000 0.434 11.104) 11.112 23.504 ( 0.000 0.300 1.329) 1.363 23.544 ( 0.000 0.650 3.937) 3.991 23.971 ( 0.000 -1.247 -5.216) 5.363 24.081 ( 0.000 2.291 1.854) 2.948 24.638 ( 0.000 -2.166 -9.567) 9.809 ======================= Grid point 260 (90/144) ======================= q-point: ( 0.14 0.40 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 350 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.467 ( -4.812 10.609 11.490) 16.362 2.698 ( 0.517 -1.628 15.995) 16.086 3.027 ( -7.690 -1.524 9.530) 12.340 3.462 ( 8.273 8.133 4.421) 12.415 3.665 ( 5.196 -0.322 0.915) 5.286 3.930 ( 12.525 -4.140 1.888) 13.326 4.109 ( -3.242 -6.128 5.236) 8.688 4.576 ( 0.147 -1.724 -6.397) 6.627 4.757 ( 7.746 8.249 -3.250) 11.773 4.886 ( 8.061 1.743 4.372) 9.334 5.085 ( 7.337 3.109 -3.164) 8.574 5.337 ( 1.235 -2.857 -6.091) 6.840 5.973 ( 3.292 6.219 -17.194) 18.579 6.328 ( -2.889 -6.328 -11.633) 13.554 6.438 ( 2.709 -5.662 -12.832) 14.285 6.905 ( 5.310 -3.054 -12.334) 13.771 8.633 ( -16.888 -1.694 -0.709) 16.988 8.777 ( -20.937 -1.882 -5.064) 21.623 9.117 ( 5.016 2.375 -3.791) 6.721 9.347 ( -1.450 -7.466 -5.956) 9.660 9.811 ( 9.899 -3.299 -1.855) 10.597 10.072 ( 6.028 -5.316 0.136) 8.038 10.300 ( 5.604 2.187 -12.085) 13.499 10.619 ( 1.395 -9.572 -9.725) 13.717 11.282 ( -7.516 1.890 7.362) 10.689 11.559 ( -2.943 0.938 -5.018) 5.893 11.626 ( -2.744 -1.932 -6.494) 7.310 11.769 ( 0.699 -0.531 -6.902) 6.958 12.715 ( -1.843 2.887 13.506) 13.933 13.020 ( -10.276 -2.712 6.549) 12.483 13.394 ( -5.806 1.075 -1.832) 6.183 13.475 ( -7.704 0.303 2.604) 8.138 13.960 ( 8.981 3.285 7.094) 11.907 14.045 ( 12.648 0.564 4.508) 13.440 14.319 ( 2.250 7.153 10.321) 12.758 14.753 ( -1.493 -0.252 16.201) 16.271 14.852 ( -7.835 4.875 11.599) 14.822 14.953 ( -6.024 0.913 12.338) 13.761 15.379 ( 7.169 4.720 1.502) 8.714 15.892 ( 2.019 -0.863 -13.875) 14.048 22.834 ( 0.408 2.423 2.941) 3.833 22.864 ( 0.117 0.341 4.129) 4.145 23.279 ( -0.574 0.564 11.043) 11.072 23.423 ( -4.477 1.051 4.127) 6.179 23.626 ( 4.585 0.281 2.021) 5.018 24.021 ( 3.817 -1.487 -3.880) 5.642 24.070 ( -0.215 2.042 -0.141) 2.059 24.629 ( -1.075 -2.436 -9.862) 10.215 ======================= Grid point 261 (91/144) ======================= q-point: ( 0.29 0.40 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 350 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.400 ( -0.485 14.848 9.802) 17.798 2.737 ( -0.873 0.068 8.987) 9.029 2.910 ( -0.452 -1.605 14.748) 14.842 3.448 ( -6.415 -1.968 -1.102) 6.800 3.780 ( 3.466 6.103 7.267) 10.103 4.036 ( -2.378 -5.718 3.369) 7.049 4.212 ( 11.621 -2.059 1.759) 11.932 4.568 ( -1.639 7.032 -4.625) 8.575 4.887 ( 2.661 3.964 1.791) 5.099 5.007 ( 3.324 1.166 -3.342) 4.856 5.461 ( 24.809 -1.015 -6.814) 25.748 5.522 ( 21.463 -6.608 -1.449) 22.504 6.048 ( 5.375 1.496 -14.940) 15.948 6.255 ( -1.378 -7.901 -20.022) 21.568 6.587 ( 9.204 2.994 -7.636) 12.328 6.988 ( 2.204 -6.232 -11.385) 13.165 8.101 ( -32.597 -1.239 -1.320) 32.648 8.166 ( -35.055 -3.585 -3.612) 35.422 9.354 ( 14.109 2.111 -2.754) 14.530 9.482 ( 12.625 -3.804 -3.441) 13.627 9.972 ( 6.583 -0.130 -5.629) 8.662 10.189 ( 5.475 -3.863 -5.369) 8.586 10.412 ( 4.225 -2.255 -6.105) 7.759 10.650 ( 1.944 -5.694 -5.048) 7.853 11.048 ( -15.096 0.201 7.136) 16.699 11.363 ( -14.432 -0.045 -4.312) 15.062 11.650 ( 2.597 -0.658 -5.594) 6.202 11.778 ( 0.654 -0.167 -5.436) 5.478 12.663 ( -2.820 0.984 6.039) 6.737 12.794 ( -9.696 -3.212 2.239) 10.457 13.312 ( -2.053 -0.249 0.198) 2.077 13.385 ( -2.284 0.634 2.726) 3.613 14.109 ( 5.527 5.616 10.201) 12.890 14.241 ( 5.126 5.272 9.389) 11.926 14.392 ( 5.038 2.695 6.508) 8.660 14.683 ( -5.632 3.033 14.813) 16.136 14.723 ( -3.962 0.100 15.200) 15.709 14.826 ( -4.833 0.636 8.562) 9.853 15.531 ( 7.053 5.394 -1.785) 9.057 15.925 ( 0.814 -2.353 -10.109) 10.411 22.841 ( 0.192 2.549 3.501) 4.335 22.874 ( 0.737 0.981 4.214) 4.389 23.265 ( -0.675 0.989 10.780) 10.846 23.342 ( -3.270 1.221 6.693) 7.548 23.714 ( 3.966 1.175 1.495) 4.399 24.011 ( -2.514 0.042 2.090) 3.270 24.173 ( 7.651 -0.962 -7.714) 10.907 24.588 ( -2.992 -3.001 -10.153) 11.002 ======================= Grid point 262 (92/144) ======================= q-point: ( 0.43 0.40 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 350 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.449 ( 4.485 13.450 7.776) 16.171 2.621 ( -6.944 7.437 7.888) 12.874 3.030 ( 8.356 -2.076 10.135) 13.299 3.280 ( -8.649 -3.540 5.350) 10.769 3.815 ( 0.713 0.773 7.749) 7.821 3.990 ( -1.638 -4.426 4.042) 6.214 4.403 ( 7.026 3.140 0.144) 7.697 4.510 ( -3.856 8.214 -3.868) 9.864 4.900 ( -0.215 -0.083 0.712) 0.749 5.024 ( -0.305 -1.540 -8.413) 8.558 5.801 ( 6.387 2.635 -14.466) 16.032 5.982 ( 9.865 -8.442 -9.442) 16.054 6.352 ( 22.779 -1.832 -5.250) 23.448 6.445 ( 27.452 -5.754 -9.129) 29.497 6.717 ( 0.150 3.183 -6.456) 7.200 6.975 ( -5.689 -9.150 -6.153) 12.408 7.388 ( -31.425 -0.259 -5.770) 31.951 7.487 ( -26.600 -2.780 -9.235) 28.295 9.606 ( 8.963 2.623 -0.581) 9.357 9.713 ( 5.544 -2.600 -2.477) 6.606 10.143 ( 11.212 3.817 -4.294) 12.598 10.273 ( 1.116 0.162 -6.474) 6.572 10.472 ( 3.167 -6.106 -1.173) 6.978 10.666 ( -10.810 -3.326 4.759) 12.271 10.775 ( 1.924 -2.264 -3.794) 4.819 11.025 ( -16.518 -1.819 -4.920) 17.331 11.696 ( 1.470 1.280 -4.608) 5.004 11.793 ( 0.551 -1.852 -5.149) 5.500 12.619 ( -1.131 -1.207 0.588) 1.756 12.663 ( -3.200 -3.129 0.036) 4.476 13.305 ( 0.857 0.688 2.539) 2.767 13.347 ( -1.589 0.272 2.567) 3.032 14.188 ( 2.320 6.195 11.725) 13.462 14.271 ( -0.549 7.931 11.904) 14.314 14.480 ( 2.260 -0.211 5.612) 6.053 14.602 ( -1.630 5.759 14.658) 15.833 14.652 ( -2.238 -3.474 12.913) 13.559 14.777 ( -0.681 1.054 9.040) 9.126 15.643 ( 3.305 6.288 -5.352) 8.895 15.926 ( -0.398 -4.079 -6.516) 7.697 22.844 ( 0.092 2.870 4.138) 5.037 22.887 ( 0.421 1.332 3.933) 4.174 23.254 ( -0.284 1.651 10.151) 10.288 23.295 ( -1.247 0.787 8.984) 9.105 23.781 ( 2.197 3.176 1.091) 4.013 23.961 ( -1.837 -1.834 2.096) 3.337 24.326 ( 6.290 -0.912 -9.543) 11.465 24.508 ( -4.298 -3.854 -9.481) 11.100 ======================= Grid point 266 (93/144) ======================= q-point: ( 0.00 -0.50 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.597 ( 0.000 0.000 17.631) 17.631 2.659 ( 0.000 0.000 9.762) 9.762 3.300 ( 0.000 0.000 9.594) 9.594 3.378 ( 0.000 0.000 7.332) 7.332 3.465 ( 0.000 0.000 10.639) 10.639 3.714 ( 0.000 0.000 -6.632) 6.632 4.103 ( 0.000 0.000 7.604) 7.604 4.483 ( 0.000 0.000 -11.802) 11.802 4.802 ( 0.000 0.000 3.634) 3.634 4.829 ( 0.000 -0.000 -8.876) 8.876 5.111 ( 0.000 0.000 3.804) 3.804 5.310 ( 0.000 0.000 -2.726) 2.726 6.080 ( 0.000 0.000 -22.471) 22.471 6.247 ( 0.000 0.000 -19.098) 19.098 6.319 ( 0.000 0.000 -1.908) 1.908 6.825 ( 0.000 0.000 -11.865) 11.865 8.741 ( 0.000 0.000 -4.572) 4.572 8.926 ( 0.000 0.000 -10.890) 10.890 9.209 ( 0.000 0.000 -2.638) 2.638 9.392 ( 0.000 0.000 -5.030) 5.030 9.567 ( 0.000 0.000 6.359) 6.359 9.918 ( 0.000 0.000 1.362) 1.362 10.305 ( 0.000 0.000 -16.981) 16.981 10.466 ( 0.000 0.000 -11.463) 11.463 11.378 ( 0.000 0.000 6.338) 6.338 11.568 ( 0.000 0.000 -6.880) 6.880 11.694 ( 0.000 0.000 -3.363) 3.363 11.723 ( 0.000 0.000 -9.857) 9.857 12.772 ( 0.000 0.000 17.245) 17.245 13.097 ( 0.000 0.000 8.578) 8.578 13.526 ( 0.000 0.000 -2.473) 2.473 13.683 ( 0.000 0.000 10.500) 10.500 13.769 ( 0.000 0.000 -2.431) 2.431 13.847 ( 0.000 0.000 4.012) 4.012 14.389 ( 0.000 0.000 12.255) 12.255 14.746 ( 0.000 -0.000 17.723) 17.723 14.994 ( 0.000 0.000 10.711) 10.711 15.064 ( 0.000 0.000 16.246) 16.246 15.323 ( 0.000 0.000 2.104) 2.104 15.865 ( 0.000 0.000 -18.554) 18.554 22.855 ( 0.000 0.000 4.933) 4.933 22.860 ( 0.000 0.000 2.366) 2.366 23.291 ( 0.000 0.000 10.990) 10.990 23.508 ( 0.000 0.000 1.241) 1.241 23.551 ( 0.000 0.000 3.770) 3.770 23.959 ( 0.000 0.000 -4.967) 4.967 24.106 ( 0.000 0.000 1.361) 1.361 24.615 ( 0.000 0.000 -9.008) 9.008 ======================= Grid point 268 (94/144) ======================= q-point: ( 0.14 -0.50 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 210 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.622 ( -2.362 -0.000 9.686) 9.969 2.629 ( 3.193 0.000 16.118) 16.431 3.012 ( -11.467 0.000 10.911) 15.828 3.521 ( 0.008 0.000 0.874) 0.874 3.748 ( 15.933 0.000 5.684) 16.916 3.811 ( 12.205 0.000 2.696) 12.499 4.058 ( -3.905 0.000 8.225) 9.105 4.525 ( 5.793 0.000 -9.602) 11.215 4.883 ( 5.326 0.000 -8.238) 9.810 4.898 ( 6.887 0.000 6.067) 9.178 5.114 ( 3.601 0.000 0.314) 3.615 5.308 ( 0.517 0.000 -4.071) 4.104 6.100 ( 1.293 0.000 -22.170) 22.207 6.181 ( -4.984 -0.000 -18.025) 18.702 6.405 ( 8.403 0.000 -4.242) 9.413 6.874 ( 3.509 0.000 -12.688) 13.164 8.614 ( -16.630 -0.000 -0.422) 16.635 8.758 ( -22.262 0.000 -5.047) 22.827 9.162 ( 4.900 -0.000 -6.591) 8.213 9.252 ( 0.313 0.000 -4.876) 4.886 9.779 ( 11.198 0.000 -0.022) 11.198 10.017 ( 6.691 0.000 -0.021) 6.691 10.345 ( 3.246 0.000 -14.831) 15.182 10.502 ( 3.313 0.000 -9.256) 9.831 11.300 ( -7.914 0.000 7.208) 10.705 11.588 ( -7.797 0.000 -5.262) 9.406 11.588 ( 1.953 -0.000 -6.569) 6.853 11.763 ( 1.216 0.000 -6.778) 6.886 12.749 ( -2.374 0.000 14.182) 14.379 12.989 ( -10.349 -0.000 6.659) 12.306 13.404 ( -7.334 0.000 -2.037) 7.612 13.477 ( -7.424 0.000 3.179) 8.076 13.991 ( 9.799 0.000 5.246) 11.115 14.046 ( 14.382 0.000 6.346) 15.720 14.399 ( 0.810 0.000 11.794) 11.822 14.736 ( -1.076 -0.000 17.745) 17.778 14.919 ( -6.513 -0.000 9.318) 11.369 14.948 ( -8.435 0.000 14.752) 16.993 15.433 ( 8.034 -0.000 2.097) 8.303 15.882 ( 1.206 0.000 -16.520) 16.564 22.862 ( 0.204 -0.000 2.845) 2.853 22.862 ( 0.641 0.000 4.991) 5.032 23.285 ( -0.455 0.000 10.887) 10.896 23.434 ( -4.249 0.000 3.736) 5.658 23.630 ( 4.715 0.000 2.196) 5.201 24.002 ( 3.224 0.000 -3.655) 4.874 24.097 ( -0.140 0.000 -0.615) 0.630 24.603 ( -1.289 0.000 -9.366) 9.454 ======================= Grid point 270 (95/144) ======================= q-point: ( 0.29 -0.50 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 210 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.598 ( 0.163 0.000 8.589) 8.590 2.705 ( 2.175 0.000 12.976) 13.157 2.879 ( -0.173 0.000 10.417) 10.418 3.429 ( -7.704 0.000 -1.468) 7.843 3.896 ( 0.519 0.000 5.347) 5.372 3.958 ( -4.249 0.000 9.257) 10.185 4.140 ( 15.692 -0.000 6.404) 16.948 4.647 ( 1.879 0.000 -9.868) 10.045 4.935 ( -1.097 0.000 -0.845) 1.385 5.022 ( 3.235 0.000 0.233) 3.243 5.427 ( 24.130 0.000 3.259) 24.349 5.472 ( 21.285 0.000 -10.014) 23.522 6.110 ( -0.266 0.000 -15.990) 15.992 6.134 ( 3.040 -0.000 -20.877) 21.097 6.629 ( 12.314 0.000 -9.499) 15.552 6.913 ( -0.739 0.000 -11.683) 11.706 8.087 ( -31.526 -0.000 -1.035) 31.543 8.130 ( -36.224 0.000 -4.202) 36.467 9.385 ( 14.377 0.000 -2.907) 14.668 9.437 ( 13.701 0.000 -3.805) 14.220 9.980 ( 9.449 0.000 -5.281) 10.824 10.138 ( 5.345 0.000 -4.676) 7.102 10.401 ( 1.634 0.000 -7.954) 8.120 10.586 ( 4.579 0.000 -5.208) 6.935 11.050 ( -16.205 0.000 7.672) 17.930 11.362 ( -14.814 0.000 -4.493) 15.480 11.645 ( 3.413 0.000 -5.648) 6.599 11.776 ( 0.253 0.000 -5.612) 5.618 12.682 ( -3.686 0.000 6.281) 7.283 12.754 ( -10.261 -0.000 2.495) 10.560 13.309 ( -1.832 -0.000 0.546) 1.912 13.391 ( -2.330 0.000 2.866) 3.693 14.167 ( 6.884 0.000 8.444) 10.894 14.281 ( 7.279 -0.000 12.476) 14.444 14.423 ( 2.194 0.000 8.534) 8.811 14.686 ( -4.523 0.000 16.375) 16.988 14.788 ( -6.181 0.000 13.448) 14.801 14.790 ( -4.366 -0.000 8.016) 9.128 15.601 ( 7.966 -0.000 -0.832) 8.009 15.892 ( -0.570 0.000 -12.577) 12.590 22.870 ( 0.590 0.000 3.818) 3.863 22.878 ( 0.765 0.000 5.070) 5.128 23.276 ( -0.363 0.000 10.591) 10.597 23.354 ( -3.420 0.000 6.149) 7.037 23.728 ( 4.861 0.000 1.874) 5.209 24.001 ( -2.942 0.000 1.628) 3.363 24.175 ( 7.017 0.000 -7.437) 10.225 24.557 ( -3.295 0.000 -9.910) 10.444 ======================= Grid point 272 (96/144) ======================= q-point: ( 0.43 -0.50 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 210 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.625 ( 2.264 0.000 8.134) 8.444 2.679 ( -2.802 0.000 9.982) 10.367 3.010 ( 10.274 0.000 6.624) 12.224 3.234 ( -10.879 0.000 2.111) 11.082 3.876 ( -0.925 -0.000 8.888) 8.936 3.887 ( -2.165 0.000 11.083) 11.293 4.418 ( 11.190 0.000 2.848) 11.547 4.595 ( -6.048 -0.000 -3.917) 7.206 4.932 ( 1.281 0.000 -6.622) 6.745 4.988 ( -3.674 0.000 -4.937) 6.154 5.848 ( 10.445 0.000 -7.907) 13.101 5.882 ( 6.869 0.000 -16.052) 17.460 6.349 ( 21.317 0.000 -7.202) 22.500 6.368 ( 30.116 -0.000 -5.977) 30.704 6.792 ( -12.831 -0.000 -5.118) 13.814 6.836 ( 2.843 0.000 -11.150) 11.506 7.390 ( -29.365 0.000 -7.413) 30.286 7.455 ( -26.133 0.000 -9.028) 27.648 9.652 ( 8.764 0.000 -1.025) 8.824 9.670 ( 6.610 -0.000 -2.794) 7.176 10.196 ( 10.865 0.000 -5.112) 12.008 10.264 ( 6.853 0.000 -5.177) 8.589 10.412 ( 0.945 0.000 -0.928) 1.324 10.629 ( -11.861 0.000 3.580) 12.389 10.751 ( 1.484 0.000 -2.821) 3.187 11.008 ( -17.940 0.000 -4.699) 18.545 11.717 ( 3.346 0.000 -4.971) 5.992 11.767 ( -1.374 -0.000 -5.041) 5.225 12.619 ( -2.031 0.000 0.700) 2.148 12.620 ( -2.794 -0.000 -0.011) 2.794 13.311 ( 1.484 -0.000 2.590) 2.985 13.350 ( -1.974 0.000 2.876) 3.488 14.268 ( 3.286 0.000 12.473) 12.898 14.318 ( -1.638 -0.000 15.391) 15.478 14.503 ( 4.160 -0.000 8.094) 9.101 14.583 ( -4.417 0.000 11.441) 12.264 14.722 ( -0.477 0.000 11.104) 11.114 14.739 ( -1.569 -0.000 9.895) 10.019 15.748 ( 6.276 -0.000 -4.576) 7.767 15.850 ( -3.599 0.000 -8.507) 9.237 22.883 ( 0.564 0.000 4.591) 4.625 22.888 ( 0.154 0.000 4.978) 4.981 23.275 ( 0.433 -0.000 9.894) 9.904 23.299 ( -1.931 0.000 8.406) 8.625 23.827 ( 4.843 0.000 1.711) 5.137 23.923 ( -4.431 0.000 1.689) 4.742 24.329 ( 7.477 0.000 -9.011) 11.709 24.465 ( -5.711 0.000 -9.851) 11.387 ======================= Grid point 308 (97/144) ======================= q-point: ( 0.00 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.786 ( 0.000 0.000 20.926) 20.926 2.650 ( 0.000 0.000 -20.499) 20.499 2.689 ( 0.000 0.000 25.506) 25.506 3.337 ( 0.000 0.000 -5.728) 5.728 3.452 ( 0.000 0.000 -2.164) 2.164 3.572 ( 0.000 0.000 0.033) 0.033 4.154 ( 0.000 0.000 1.595) 1.595 4.179 ( 0.000 0.000 2.890) 2.890 4.402 ( 0.000 0.000 -5.581) 5.581 4.987 ( 0.000 0.000 -27.255) 27.255 5.163 ( 0.000 0.000 5.272) 5.272 5.362 ( 0.000 0.000 0.061) 0.061 6.109 ( 0.000 0.000 13.552) 13.552 6.678 ( 0.000 0.000 2.110) 2.110 6.752 ( 0.000 0.000 -19.628) 19.628 6.809 ( 0.000 0.000 -1.200) 1.200 8.874 ( 0.000 0.000 -0.115) 0.115 8.969 ( 0.000 0.000 -4.621) 4.621 9.712 ( 0.000 0.000 4.541) 4.541 9.725 ( 0.000 0.000 -3.471) 3.471 9.825 ( 0.000 0.000 -1.638) 1.638 9.901 ( 0.000 0.000 -10.503) 10.503 10.879 ( 0.000 0.000 4.923) 4.923 11.096 ( 0.000 0.000 -7.028) 7.028 11.267 ( 0.000 0.000 6.866) 6.866 11.560 ( 0.000 0.000 -6.218) 6.218 11.795 ( 0.000 0.000 2.027) 2.027 11.843 ( 0.000 0.000 0.027) 0.027 12.869 ( 0.000 0.000 5.370) 5.370 13.057 ( 0.000 0.000 -1.790) 1.790 13.239 ( 0.000 0.000 0.913) 0.913 13.253 ( 0.000 0.000 0.146) 0.146 13.408 ( 0.000 0.000 -0.810) 0.810 13.423 ( 0.000 0.000 -1.996) 1.996 14.151 ( 0.000 0.000 2.917) 2.917 14.238 ( 0.000 0.000 -1.204) 1.204 14.862 ( 0.000 0.000 11.475) 11.475 15.061 ( 0.000 0.000 1.679) 1.679 15.436 ( 0.000 0.000 15.214) 15.214 15.909 ( 0.000 0.000 -7.812) 7.812 22.551 ( 0.000 0.000 1.995) 1.995 22.636 ( 0.000 0.000 -2.131) 2.131 23.571 ( 0.000 0.000 8.410) 8.410 23.612 ( 0.000 0.000 3.169) 3.169 23.614 ( 0.000 0.000 6.803) 6.803 23.921 ( 0.000 0.000 -8.080) 8.080 24.125 ( 0.000 0.000 2.901) 2.901 24.482 ( 0.000 0.000 -11.367) 11.367 ======================= Grid point 309 (98/144) ======================= q-point: ( 0.14 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 216 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.890 ( 9.903 0.000 18.111) 20.642 2.619 ( -0.181 0.000 -2.814) 2.820 2.780 ( 4.504 0.000 4.464) 6.342 3.146 ( -8.468 0.000 -3.282) 9.082 3.733 ( 13.867 0.000 0.969) 13.901 3.815 ( 22.126 0.000 -3.577) 22.413 4.122 ( -1.740 0.000 2.182) 2.790 4.162 ( -0.091 0.000 5.147) 5.147 4.445 ( 4.456 0.000 -5.153) 6.812 4.886 ( -7.489 0.000 -9.339) 11.971 5.291 ( 10.476 0.000 -13.508) 17.095 5.316 ( -2.705 0.000 -0.530) 2.756 6.241 ( 11.092 0.000 12.131) 16.438 6.623 ( -3.043 0.000 1.027) 3.212 6.822 ( 1.433 0.000 -1.941) 2.412 6.827 ( 5.030 0.000 -15.312) 16.117 8.685 ( -18.665 0.000 0.486) 18.671 8.786 ( -17.971 0.000 -4.596) 18.549 9.538 ( -8.052 0.000 -0.070) 8.053 9.591 ( -2.288 0.000 -5.092) 5.583 10.071 ( 13.911 0.000 -1.514) 13.993 10.110 ( 12.641 0.000 -3.859) 13.217 10.839 ( -5.354 0.000 6.371) 8.322 11.092 ( -1.712 0.000 -7.651) 7.840 11.228 ( -2.383 0.000 5.685) 6.164 11.480 ( -7.019 0.000 -3.466) 7.828 11.804 ( 0.779 0.000 -1.312) 1.526 11.830 ( -1.400 0.000 -0.137) 1.407 12.892 ( 2.143 0.000 5.274) 5.693 13.040 ( -3.061 0.000 -0.056) 3.061 13.169 ( -1.252 0.000 -0.643) 1.408 13.204 ( -3.204 0.000 -1.411) 3.501 13.452 ( 3.019 0.000 0.708) 3.100 13.511 ( 4.788 0.000 -2.111) 5.232 14.084 ( -5.809 0.000 2.322) 6.256 14.139 ( -8.188 0.000 -0.218) 8.191 14.933 ( 5.999 0.000 12.956) 14.277 15.159 ( 7.429 0.000 3.253) 8.110 15.453 ( 2.136 0.000 12.321) 12.504 15.906 ( -0.337 0.000 -8.245) 8.252 22.553 ( 0.169 0.000 1.799) 1.806 22.629 ( -0.650 0.000 -1.916) 2.023 23.517 ( -6.056 0.000 6.525) 8.902 23.529 ( -3.981 0.000 7.950) 8.892 23.654 ( 1.560 0.000 3.402) 3.743 23.851 ( -4.014 0.000 -5.163) 6.540 24.245 ( 8.738 0.000 0.162) 8.740 24.540 ( 4.609 0.000 -11.320) 12.222 ======================= Grid point 310 (99/144) ======================= q-point: ( 0.29 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 216 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.159 ( 15.431 0.000 11.369) 19.167 2.642 ( 2.209 0.000 2.101) 3.049 2.825 ( -0.376 0.000 -0.514) 0.636 2.999 ( -6.516 0.000 1.850) 6.774 3.925 ( 2.339 0.000 -2.241) 3.239 3.999 ( -1.779 0.000 -2.277) 2.890 4.250 ( 8.291 0.000 -5.122) 9.745 4.293 ( 11.299 0.000 3.007) 11.692 4.621 ( 11.763 0.000 1.903) 11.916 4.734 ( -5.768 0.000 4.491) 7.310 5.363 ( 10.879 0.000 -3.700) 11.491 5.578 ( 17.664 0.000 -21.151) 27.557 6.483 ( 11.414 0.000 9.894) 15.105 6.585 ( -0.118 0.000 2.737) 2.739 6.869 ( 2.909 0.000 -4.696) 5.524 6.924 ( 3.870 0.000 -11.739) 12.361 8.169 ( -29.507 0.000 1.358) 29.538 8.277 ( -29.889 0.000 -4.604) 30.242 9.477 ( 2.229 0.000 2.189) 3.125 9.659 ( 7.348 0.000 -6.999) 10.148 10.315 ( 7.596 0.000 1.867) 7.822 10.344 ( 9.540 0.000 -0.213) 9.543 10.665 ( -7.850 0.000 5.237) 9.437 10.971 ( -9.890 0.000 -9.106) 13.444 11.181 ( -3.440 0.000 2.749) 4.404 11.312 ( -8.995 0.000 -1.686) 9.152 11.805 ( -0.186 0.000 -0.379) 0.422 11.829 ( 1.579 0.000 -4.085) 4.379 12.942 ( 2.124 0.000 3.459) 4.059 12.969 ( -2.368 0.000 1.129) 2.623 13.166 ( 0.116 0.000 -0.674) 0.684 13.209 ( 3.321 0.000 -1.837) 3.795 13.507 ( 2.345 0.000 0.914) 2.517 13.567 ( 0.698 0.000 -1.638) 1.780 13.948 ( -6.738 0.000 1.602) 6.926 13.962 ( -8.206 0.000 1.127) 8.283 15.068 ( 6.564 0.000 15.268) 16.620 15.266 ( 2.008 0.000 11.508) 11.682 15.553 ( 7.637 0.000 1.698) 7.823 15.890 ( -1.490 0.000 -8.571) 8.699 22.559 ( 0.467 0.000 1.243) 1.328 22.612 ( -1.005 0.000 -1.314) 1.654 23.397 ( -4.957 0.000 6.928) 8.519 23.430 ( -5.024 0.000 6.670) 8.350 23.687 ( 1.753 0.000 2.412) 2.982 23.792 ( -2.018 0.000 -2.317) 3.073 24.424 ( 8.239 0.000 -2.216) 8.532 24.624 ( 2.855 0.000 -10.430) 10.814 ======================= Grid point 311 (100/144) ======================= q-point: ( 0.43 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 216 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.473 ( 14.171 0.000 2.456) 14.382 2.675 ( -2.652 0.000 -4.887) 5.560 2.783 ( -0.362 0.000 11.902) 11.908 2.869 ( -6.147 0.000 9.078) 10.963 3.945 ( 0.962 0.000 -1.740) 1.988 3.966 ( -1.079 0.000 -2.157) 2.412 4.325 ( 1.643 0.000 -9.135) 9.281 4.374 ( -2.539 0.000 -10.186) 10.498 4.726 ( 3.218 0.000 9.764) 10.281 4.756 ( 1.334 0.000 4.643) 4.831 5.750 ( 20.217 0.000 -3.475) 20.514 5.905 ( 7.935 0.000 -9.554) 12.420 6.673 ( 10.626 0.000 -5.685) 12.052 6.711 ( 12.073 0.000 5.221) 13.153 6.887 ( -3.891 0.000 -9.728) 10.477 6.935 ( -5.065 0.000 -5.560) 7.521 7.626 ( -17.667 0.000 2.258) 17.810 7.690 ( -22.502 0.000 -1.948) 22.586 9.616 ( 10.237 0.000 4.603) 11.224 9.775 ( -0.630 0.000 -1.710) 1.822 10.302 ( -0.465 0.000 4.406) 4.430 10.416 ( -4.913 0.000 0.551) 4.944 10.713 ( 7.903 0.000 -1.745) 8.094 10.802 ( -3.339 0.000 -5.829) 6.718 11.084 ( -4.215 0.000 -1.385) 4.437 11.126 ( -8.105 0.000 -3.502) 8.829 11.829 ( 1.837 0.000 -1.335) 2.271 11.850 ( 0.082 0.000 -3.172) 3.173 12.951 ( 0.168 0.000 0.678) 0.699 12.960 ( -0.270 0.000 0.774) 0.820 13.211 ( 3.474 0.000 1.204) 3.676 13.255 ( 0.210 0.000 -0.536) 0.576 13.547 ( 1.335 0.000 -0.725) 1.520 13.561 ( -0.533 0.000 -1.189) 1.303 13.833 ( -3.645 0.000 2.070) 4.192 13.835 ( -3.580 0.000 1.822) 4.017 15.185 ( 4.764 0.000 16.194) 16.881 15.258 ( -2.255 0.000 15.482) 15.645 15.717 ( 7.366 0.000 -4.610) 8.689 15.835 ( -4.120 0.000 -7.452) 8.515 22.572 ( 0.793 0.000 0.439) 0.907 22.591 ( -1.009 0.000 -0.467) 1.112 23.332 ( -1.250 0.000 6.535) 6.653 23.348 ( -2.647 0.000 6.184) 6.726 23.723 ( 1.742 0.000 1.357) 2.208 23.757 ( -1.569 0.000 -0.139) 1.575 24.567 ( 5.486 0.000 -5.080) 7.477 24.639 ( -1.456 0.000 -8.127) 8.256 ======================= Grid point 315 (101/144) ======================= q-point: ( 0.00 0.10 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.951 ( 0.000 15.270 17.441) 23.181 2.722 ( 0.000 7.116 -18.603) 19.917 2.759 ( 0.000 7.027 24.247) 25.245 3.383 ( 0.000 4.606 -5.494) 7.169 3.429 ( 0.000 -4.640 1.193) 4.791 3.527 ( 0.000 -0.302 -2.684) 2.701 4.146 ( 0.000 4.448 7.922) 9.085 4.369 ( 0.000 12.602 -1.170) 12.656 4.394 ( 0.000 -0.854 -5.555) 5.621 4.943 ( 0.000 -4.644 -25.138) 25.563 5.117 ( 0.000 -4.401 4.885) 6.575 5.318 ( 0.000 -4.153 -0.460) 4.178 6.030 ( 0.000 -7.589 12.911) 14.976 6.615 ( 0.000 -5.661 2.882) 6.352 6.694 ( 0.000 -6.057 -20.683) 21.552 6.801 ( 0.000 -1.343 -3.408) 3.663 8.861 ( 0.000 -1.344 -0.165) 1.354 8.949 ( 0.000 -2.070 -4.423) 4.883 9.579 ( 0.000 -10.080 6.595) 12.045 9.717 ( 0.000 -0.739 -2.917) 3.009 9.819 ( 0.000 -3.341 -5.418) 6.366 9.901 ( 0.000 0.029 -10.571) 10.571 10.812 ( 0.000 -7.014 6.007) 9.234 11.046 ( 0.000 -5.380 -6.718) 8.607 11.291 ( 0.000 2.617 7.622) 8.059 11.587 ( 0.000 2.174 -6.275) 6.641 11.690 ( 0.000 -7.207 1.249) 7.315 11.797 ( 0.000 -5.846 -2.952) 6.549 12.851 ( 0.000 -0.618 8.225) 8.248 13.128 ( 0.000 5.846 -3.647) 6.891 13.307 ( 0.000 10.581 5.561) 11.953 13.375 ( 0.000 -1.517 1.254) 1.968 13.476 ( 0.000 16.398 -1.626) 16.478 13.479 ( 0.000 3.899 -3.727) 5.394 14.159 ( 0.000 0.512 2.924) 2.968 14.272 ( 0.000 4.057 -2.119) 4.577 14.893 ( 0.000 3.083 11.128) 11.547 15.087 ( 0.000 2.619 1.552) 3.045 15.416 ( 0.000 -1.963 15.239) 15.365 15.876 ( 0.000 -3.150 -7.294) 7.945 22.593 ( 0.000 4.063 2.093) 4.570 22.680 ( 0.000 4.240 -2.110) 4.736 23.548 ( 0.000 -2.090 8.080) 8.346 23.603 ( 0.000 -1.053 2.883) 3.070 23.616 ( 0.000 0.175 6.643) 6.646 23.915 ( 0.000 -0.597 -7.870) 7.893 24.113 ( 0.000 -0.928 4.111) 4.215 24.486 ( 0.000 0.256 -11.645) 11.648 ======================= Grid point 316 (102/144) ======================= q-point: ( 0.14 0.10 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 350 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.978 ( 3.553 8.389 16.704) 19.027 2.668 ( -2.072 4.690 -10.188) 11.406 2.841 ( 3.430 6.758 13.157) 15.183 3.247 ( -4.711 9.430 -5.354) 11.823 3.635 ( 13.840 -7.578 4.156) 16.317 3.798 ( 17.878 -1.084 -3.239) 18.201 4.161 ( 2.745 6.304 5.600) 8.868 4.329 ( -1.176 10.861 0.513) 10.936 4.439 ( 3.326 -0.097 -3.432) 4.781 4.855 ( -6.095 -2.888 -10.177) 12.209 5.195 ( 3.415 -6.798 -4.273) 8.726 5.340 ( 6.197 -0.185 -8.841) 10.798 6.150 ( 9.885 -8.701 11.191) 17.282 6.574 ( -1.730 -5.095 -0.207) 5.385 6.715 ( 0.572 -7.348 -9.303) 11.868 6.867 ( 5.995 0.395 -8.485) 10.397 8.680 ( -18.318 -0.472 0.503) 18.331 8.781 ( -17.133 -0.632 -4.635) 17.760 9.462 ( -5.229 -6.843 2.258) 8.903 9.569 ( -3.791 -2.775 -4.975) 6.842 10.005 ( 11.182 -4.047 -3.155) 12.303 10.109 ( 13.172 -2.565 -5.932) 14.672 10.788 ( -3.612 -5.403 6.853) 9.444 11.045 ( -1.326 -5.259 -7.057) 8.900 11.232 ( -4.239 1.140 6.815) 8.106 11.501 ( -7.398 1.437 -4.478) 8.766 11.723 ( 1.972 -5.728 -1.032) 6.145 11.787 ( -0.694 -4.670 -2.290) 5.247 12.862 ( 0.935 -1.721 7.234) 7.494 13.094 ( -4.656 3.355 -1.932) 6.056 13.232 ( -2.326 4.498 0.470) 5.086 13.275 ( -4.755 6.657 0.482) 8.195 13.528 ( 4.055 7.259 0.879) 8.361 13.609 ( 5.724 11.253 -2.215) 12.818 14.101 ( -4.983 1.949 3.062) 6.165 14.203 ( -5.688 6.321 -1.705) 8.672 14.949 ( 4.853 1.673 12.592) 13.598 15.161 ( 5.554 0.198 3.852) 6.762 15.439 ( 2.727 -1.294 11.854) 12.232 15.878 ( 0.068 -2.706 -7.835) 8.290 22.594 ( 0.172 4.068 1.893) 4.490 22.673 ( -0.697 4.197 -1.881) 4.651 23.507 ( -4.239 -1.119 7.175) 8.408 23.521 ( -4.610 -0.567 6.729) 8.177 23.656 ( 1.682 0.232 3.432) 3.829 23.859 ( -3.313 0.819 -4.953) 6.015 24.221 ( 8.054 -2.317 1.021) 8.443 24.531 ( 3.643 -0.907 -11.470) 12.069 ======================= Grid point 317 (103/144) ======================= q-point: ( 0.29 0.10 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 350 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.113 ( 9.281 -2.404 12.779) 15.976 2.630 ( -2.674 -2.515 -10.556) 11.176 2.889 ( 2.446 10.262 15.097) 18.417 3.177 ( -2.955 13.597 -2.484) 14.135 3.852 ( 5.393 -5.389 1.464) 7.764 3.995 ( 1.538 -1.408 -1.217) 2.414 4.261 ( 3.642 2.271 -4.556) 6.260 4.404 ( 4.831 7.440 -1.125) 8.942 4.537 ( 5.528 -4.438 5.917) 9.234 4.783 ( 1.456 2.486 -0.702) 2.965 5.316 ( 13.287 -3.322 -3.457) 14.125 5.612 ( 18.758 2.462 -19.967) 27.506 6.353 ( 9.133 -10.361 6.402) 15.223 6.594 ( 4.181 -4.015 1.921) 6.107 6.726 ( 1.021 -7.319 -4.175) 8.488 7.003 ( 6.178 2.624 -9.252) 11.430 8.162 ( -30.145 -0.661 1.331) 30.182 8.273 ( -30.619 -0.605 -4.545) 30.960 9.446 ( 3.886 -2.868 2.690) 5.529 9.630 ( 8.048 -2.814 -6.356) 10.635 10.209 ( 7.301 -7.119 0.956) 10.242 10.336 ( 6.746 -4.408 -2.545) 8.451 10.667 ( -4.417 0.179 4.895) 6.595 10.941 ( -8.560 -3.627 -8.183) 12.385 11.151 ( -4.667 -1.893 4.273) 6.605 11.311 ( -10.379 -0.252 -2.606) 10.704 11.757 ( 1.245 -4.798 -1.985) 5.340 11.788 ( 1.322 -2.922 -2.643) 4.155 12.879 ( 0.540 -4.010 4.082) 5.748 12.982 ( -4.750 -1.633 -0.622) 5.062 13.207 ( 0.088 4.943 1.010) 5.046 13.263 ( 1.841 3.500 -1.117) 4.109 13.588 ( 1.686 8.375 1.869) 8.745 13.680 ( 1.569 11.845 -2.218) 12.153 13.992 ( -4.879 5.953 3.253) 8.356 14.079 ( -5.904 9.566 -0.968) 11.283 15.060 ( 5.460 -0.816 14.898) 15.888 15.240 ( 1.493 -2.656 11.532) 11.927 15.544 ( 7.118 -0.933 2.106) 7.482 15.873 ( -0.727 -1.501 -8.361) 8.526 22.600 ( 0.469 4.072 1.336) 4.311 22.654 ( -1.050 4.124 -1.250) 4.436 23.407 ( -4.355 0.910 6.911) 8.219 23.431 ( -4.273 0.167 6.826) 8.055 23.688 ( 1.482 0.188 2.415) 2.839 23.810 ( -1.608 1.839 -2.530) 3.517 24.389 ( 7.829 -3.533 -1.768) 8.769 24.598 ( 2.216 -2.589 -10.413) 10.956 ======================= Grid point 318 (104/144) ======================= q-point: ( 0.43 0.10 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 350 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.325 ( 10.684 -8.679 6.278) 15.129 2.524 ( -7.851 -8.595 -2.591) 11.926 2.974 ( 5.694 14.840 11.551) 19.649 3.099 ( -4.977 15.486 3.754) 16.694 3.916 ( 1.904 -1.640 0.391) 2.543 3.989 ( -0.560 0.003 -2.120) 2.193 4.287 ( 0.554 -1.661 -6.293) 6.532 4.360 ( -4.883 -3.703 -5.024) 7.924 4.655 ( 3.735 0.585 3.510) 5.158 4.837 ( 1.607 2.297 -0.276) 2.817 5.676 ( 14.107 -4.598 -1.286) 14.893 5.985 ( 12.765 4.688 -12.680) 18.593 6.575 ( 12.862 -6.536 -2.539) 14.649 6.722 ( 3.991 -8.708 -5.405) 10.998 6.779 ( 8.520 1.655 2.519) 9.037 7.050 ( -4.616 5.240 -8.580) 11.063 7.588 ( -19.903 -3.734 2.398) 20.391 7.653 ( -24.815 -3.771 -1.765) 25.162 9.608 ( 10.803 -0.737 4.288) 11.647 9.771 ( 0.608 -0.396 -2.324) 2.435 10.222 ( -0.507 -6.814 3.799) 7.818 10.357 ( -4.295 -5.872 -1.561) 7.441 10.731 ( 5.654 1.626 -1.839) 6.164 10.806 ( -1.041 -0.785 -5.115) 5.279 11.026 ( -5.183 -4.624 0.961) 7.012 11.111 ( -8.529 -1.956 -3.872) 9.569 11.780 ( 0.860 -4.685 -1.589) 5.022 11.821 ( 1.132 -2.389 -2.920) 3.939 12.888 ( 0.603 -5.133 1.130) 5.290 12.915 ( -1.988 -4.407 -0.171) 4.838 13.237 ( 1.861 2.593 2.199) 3.876 13.291 ( 0.480 1.903 -0.614) 2.056 13.601 ( -0.086 7.882 1.598) 8.043 13.695 ( 0.223 12.338 -2.285) 12.550 13.929 ( -0.961 10.561 2.663) 10.934 13.978 ( -3.515 11.360 0.364) 11.897 15.156 ( 3.481 -3.100 15.668) 16.347 15.236 ( -1.309 -2.214 15.240) 15.455 15.682 ( 5.015 -3.250 -3.365) 6.858 15.844 ( -1.863 0.741 -7.646) 7.905 22.613 ( 0.777 4.040 0.541) 4.149 22.633 ( -1.008 4.120 -0.385) 4.259 23.349 ( -1.139 1.654 6.734) 7.027 23.361 ( -2.244 1.363 6.491) 7.002 23.713 ( 0.795 -0.429 1.736) 1.957 23.787 ( -0.619 2.595 -0.974) 2.840 24.524 ( 5.031 -4.290 -4.761) 8.147 24.607 ( -1.324 -3.249 -8.095) 8.822 ======================= Grid point 322 (105/144) ======================= q-point: ( 0.00 0.20 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 208 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.275 ( 0.000 16.094 11.533) 19.799 2.894 ( 0.000 9.306 -16.042) 18.546 2.943 ( 0.000 11.491 20.857) 23.813 3.299 ( 0.000 -5.968 11.324) 12.801 3.499 ( 0.000 6.790 -4.695) 8.255 3.610 ( 0.000 7.061 -7.405) 10.232 4.294 ( 0.000 9.706 10.106) 14.012 4.365 ( 0.000 -2.278 -5.026) 5.518 4.604 ( 0.000 10.527 -0.970) 10.572 4.804 ( 0.000 -9.714 -18.713) 21.084 5.021 ( 0.000 -4.359 5.111) 6.717 5.236 ( 0.000 -3.055 -2.427) 3.902 5.857 ( 0.000 -9.166 9.405) 13.132 6.488 ( 0.000 -6.921 2.853) 7.486 6.522 ( 0.000 -11.423 -22.345) 25.096 6.749 ( 0.000 -3.810 -6.948) 7.924 8.826 ( 0.000 -2.256 -0.692) 2.360 8.888 ( 0.000 -4.155 -3.638) 5.523 9.394 ( 0.000 -8.257 6.526) 10.524 9.689 ( 0.000 -9.124 -8.201) 12.268 9.700 ( 0.000 -0.883 -1.568) 1.800 9.903 ( 0.000 0.105 -10.852) 10.852 10.610 ( 0.000 -13.383 7.848) 15.515 10.890 ( 0.000 -10.612 -6.999) 12.712 11.359 ( 0.000 3.966 7.394) 8.390 11.569 ( 0.000 -5.200 -0.890) 5.275 11.621 ( 0.000 1.090 -5.771) 5.873 11.675 ( 0.000 -5.291 -5.714) 7.787 12.871 ( 0.000 2.782 11.802) 12.125 13.242 ( 0.000 5.212 -5.855) 7.839 13.354 ( 0.000 -0.459 4.835) 4.857 13.561 ( 0.000 4.225 -5.619) 7.030 13.565 ( 0.000 13.679 8.781) 16.255 13.787 ( 0.000 13.450 -0.635) 13.465 14.176 ( 0.000 2.357 5.107) 5.625 14.415 ( 0.000 11.111 -5.200) 12.267 14.974 ( 0.000 5.070 10.212) 11.401 15.156 ( 0.000 4.370 1.194) 4.530 15.366 ( 0.000 -3.031 15.207) 15.506 15.801 ( 0.000 -4.398 -6.659) 7.980 22.694 ( 0.000 5.975 2.243) 6.382 22.780 ( 0.000 5.478 -1.639) 5.718 23.504 ( 0.000 -2.180 7.667) 7.971 23.573 ( 0.000 -1.796 2.218) 2.854 23.621 ( 0.000 0.315 6.203) 6.211 23.899 ( 0.000 -1.018 -7.298) 7.369 24.102 ( 0.000 -0.003 5.657) 5.657 24.485 ( 0.000 -0.445 -11.665) 11.674 ======================= Grid point 323 (106/144) ======================= q-point: ( 0.14 0.20 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 352 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.180 ( -5.641 11.816 13.572) 18.858 2.781 ( -7.397 6.408 -13.683) 16.822 3.031 ( 4.332 11.775 18.354) 22.233 3.425 ( 5.913 3.637 -0.724) 6.980 3.550 ( 8.247 3.995 3.431) 9.785 3.789 ( 12.842 -0.032 -3.037) 13.196 4.298 ( -0.068 4.469 0.140) 4.471 4.397 ( 3.714 1.256 2.547) 4.675 4.569 ( -1.327 9.639 2.810) 10.127 4.795 ( -0.475 -2.607 -13.574) 13.831 5.071 ( 4.174 -4.827 1.084) 6.473 5.312 ( 9.632 -2.248 -9.382) 13.633 5.947 ( 7.455 -11.099 7.689) 15.423 6.421 ( -3.682 -10.765 -9.476) 14.806 6.564 ( 2.733 -7.505 -3.099) 8.568 6.837 ( 7.354 -3.363 -9.823) 12.723 8.668 ( -17.457 -0.831 0.242) 17.478 8.758 ( -15.219 -1.775 -4.583) 15.993 9.308 ( -2.192 -8.219 5.005) 9.869 9.492 ( -4.215 -4.974 -5.222) 8.353 9.923 ( 8.741 -5.057 -4.930) 11.238 10.027 ( 9.899 -4.254 -8.074) 13.464 10.630 ( 0.956 -10.659 7.304) 12.956 10.892 ( -0.674 -10.090 -6.396) 11.965 11.281 ( -6.065 3.519 6.510) 9.568 11.513 ( -7.376 -0.328 -4.401) 8.596 11.623 ( 2.374 -4.410 -2.298) 5.510 11.701 ( 1.116 -3.221 -4.087) 5.322 12.854 ( -1.746 1.006 9.871) 10.075 13.137 ( -10.909 1.159 -2.099) 11.169 13.294 ( -0.535 2.509 1.184) 2.825 13.397 ( -6.565 4.392 -1.191) 7.988 13.743 ( 6.925 14.196 4.707) 16.481 13.878 ( 5.935 13.378 -0.852) 14.660 14.162 ( -0.980 4.791 4.807) 6.857 14.378 ( -3.234 11.920 -4.764) 13.238 14.994 ( 1.747 2.870 11.499) 11.979 15.164 ( 0.497 0.012 5.600) 5.622 15.411 ( 4.209 -1.438 10.351) 11.266 15.815 ( 1.257 -3.511 -7.356) 8.247 22.696 ( 0.197 6.015 2.062) 6.362 22.772 ( -0.702 5.537 -1.406) 5.756 23.481 ( -2.101 -1.327 7.409) 7.814 23.510 ( -4.048 -0.612 5.275) 6.677 23.662 ( 2.192 0.409 3.582) 4.220 23.881 ( -1.231 1.408 -5.200) 5.526 24.168 ( 5.571 -2.848 2.962) 6.922 24.505 ( 1.590 -1.757 -11.449) 11.692 ======================= Grid point 324 (107/144) ======================= q-point: ( 0.29 0.20 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 352 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.136 ( 1.819 5.455 12.837) 14.066 2.620 ( -8.431 2.259 -9.462) 12.873 3.126 ( 5.401 12.105 16.477) 21.147 3.439 ( -1.532 11.841 -2.483) 12.196 3.764 ( 8.000 -2.673 4.516) 9.568 3.949 ( 2.123 -2.764 -1.619) 3.843 4.267 ( -2.886 -2.944 -0.814) 4.203 4.455 ( -1.394 2.673 3.940) 4.961 4.629 ( 6.911 9.856 -1.620) 12.147 4.807 ( 1.753 0.557 -6.475) 6.731 5.280 ( 17.429 -0.057 -1.410) 17.486 5.646 ( 21.729 0.757 -18.279) 28.405 6.123 ( 10.641 -13.051 3.650) 17.230 6.380 ( 0.749 -14.765 -7.449) 16.554 6.649 ( 5.590 -3.184 4.270) 7.722 7.000 ( 7.552 -2.853 -9.760) 12.666 8.145 ( -31.565 -1.150 0.943) 31.600 8.246 ( -32.327 -2.327 -4.077) 32.666 9.385 ( 7.931 -3.081 3.270) 9.115 9.563 ( 9.887 -3.771 -5.063) 11.731 10.062 ( 4.467 -7.974 -1.776) 9.310 10.207 ( 5.722 -7.300 -5.271) 10.668 10.639 ( 1.539 -3.938 3.449) 5.456 10.832 ( -5.035 -6.958 -5.250) 10.066 11.139 ( -8.396 0.519 5.116) 9.846 11.303 ( -12.458 -0.443 -3.198) 12.870 11.666 ( 1.482 -4.041 -1.769) 4.654 11.729 ( 2.082 -2.857 -3.606) 5.050 12.809 ( -2.209 -2.979 4.814) 6.077 12.929 ( -8.137 -3.099 -0.863) 8.750 13.286 ( -0.739 2.495 0.269) 2.616 13.328 ( -0.524 3.111 -0.483) 3.192 13.832 ( 2.122 16.140 5.569) 17.205 13.956 ( 1.562 13.976 0.131) 14.064 14.157 ( 0.691 10.524 2.768) 10.904 14.304 ( -3.656 13.643 -3.481) 14.547 15.035 ( 2.037 -1.774 13.630) 13.895 15.171 ( 0.241 -4.204 11.251) 12.013 15.519 ( 5.668 -1.531 3.454) 6.812 15.842 ( 1.159 -1.558 -8.072) 8.302 22.702 ( 0.441 6.041 1.591) 6.262 22.754 ( -0.955 5.775 -0.799) 5.908 23.427 ( -2.769 0.965 7.029) 7.617 23.438 ( -2.754 0.597 6.816) 7.376 23.699 ( 1.374 0.960 2.586) 3.082 23.861 ( -0.722 3.414 -3.226) 4.753 24.297 ( 6.460 -5.749 -0.658) 8.673 24.532 ( 0.619 -4.043 -10.351) 11.130 ======================= Grid point 325 (108/144) ======================= q-point: ( 0.43 0.20 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 352 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.240 ( 7.438 0.668 7.549) 10.619 2.437 ( -9.090 0.251 -0.855) 9.134 3.243 ( 5.198 11.607 12.081) 17.540 3.388 ( -3.175 13.226 4.020) 14.184 3.871 ( 3.109 -3.263 0.509) 4.536 3.944 ( -1.255 -3.471 -2.865) 4.672 4.214 ( -1.441 -3.795 5.073) 6.497 4.379 ( -3.624 5.930 -1.242) 7.060 4.739 ( 2.795 6.368 -5.745) 9.020 4.841 ( 1.026 -1.073 -7.683) 7.825 5.603 ( 8.952 -3.222 -0.633) 9.535 6.013 ( 8.948 -2.881 -18.047) 20.349 6.445 ( 17.188 -6.543 -1.280) 18.436 6.543 ( 15.005 -8.914 -3.768) 17.855 6.796 ( 11.377 -0.648 4.499) 12.251 7.101 ( 0.469 -0.435 -9.085) 9.108 7.494 ( -26.944 -5.597 2.040) 27.595 7.554 ( -30.788 -6.001 -1.810) 31.420 9.592 ( 11.005 -0.816 3.369) 11.538 9.756 ( 3.235 -1.513 -3.505) 5.004 10.092 ( 1.854 -5.353 1.860) 5.963 10.231 ( -3.100 -6.100 -4.224) 8.041 10.742 ( 3.345 -5.342 -2.793) 6.894 10.750 ( 1.895 -0.577 -2.580) 3.253 10.943 ( -7.403 -3.687 3.967) 9.172 11.058 ( -10.604 -3.153 -3.484) 11.599 11.686 ( 0.579 -4.103 -0.840) 4.228 11.772 ( 1.430 -2.511 -4.022) 4.952 12.779 ( -0.569 -5.634 1.134) 5.775 12.819 ( -2.738 -5.111 -0.586) 5.828 13.286 ( 0.471 2.202 1.611) 2.769 13.323 ( -0.271 1.663 -0.302) 1.711 13.848 ( 0.021 16.621 5.299) 17.445 13.969 ( 0.191 14.029 1.238) 14.084 14.182 ( 1.610 13.617 0.692) 13.730 14.236 ( -2.794 15.819 -1.868) 16.172 15.069 ( 1.025 -5.623 14.571) 15.652 15.174 ( 0.011 -4.259 13.580) 14.232 15.612 ( 2.720 -3.477 -0.213) 4.419 15.856 ( 0.232 0.338 -7.768) 7.778 22.713 ( 0.485 5.809 1.010) 5.916 22.737 ( -0.672 6.258 -0.089) 6.295 23.388 ( -0.867 2.076 7.343) 7.680 23.395 ( -1.287 2.039 6.869) 7.280 23.718 ( 0.502 1.056 2.187) 2.480 23.851 ( -0.221 4.049 -2.275) 4.650 24.411 ( 4.041 -7.196 -4.004) 9.173 24.523 ( -1.271 -5.205 -8.168) 9.768 ======================= Grid point 329 (109/144) ======================= q-point: ( 0.00 0.30 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.539 ( 0.000 11.538 8.111) 14.104 2.989 ( 0.000 -0.929 -9.082) 9.129 3.178 ( 0.000 12.192 16.066) 20.168 3.282 ( 0.000 4.725 15.675) 16.372 3.620 ( 0.000 4.982 -3.067) 5.850 3.727 ( 0.000 3.022 -7.952) 8.507 4.304 ( 0.000 -3.933 -2.499) 4.660 4.483 ( 0.000 9.034 6.329) 11.030 4.585 ( 0.000 -11.998 -10.888) 16.202 4.716 ( 0.000 1.061 -3.557) 3.711 5.036 ( 0.000 7.180 9.640) 12.020 5.231 ( 0.000 2.369 -3.196) 3.978 5.718 ( 0.000 -4.546 2.241) 5.068 6.275 ( 0.000 -13.499 -22.123) 25.916 6.367 ( 0.000 -5.183 1.579) 5.418 6.667 ( 0.000 -4.297 -10.073) 10.951 8.769 ( 0.000 -3.764 -1.854) 4.196 8.807 ( 0.000 -3.493 -3.504) 4.947 9.273 ( 0.000 -4.350 4.318) 6.129 9.506 ( 0.000 -9.026 -7.479) 11.722 9.687 ( 0.000 -0.443 0.287) 0.528 9.907 ( 0.000 0.346 -11.049) 11.055 10.335 ( 0.000 -13.865 7.921) 15.968 10.647 ( 0.000 -13.887 -8.478) 16.270 11.428 ( 0.000 2.868 5.823) 6.491 11.498 ( 0.000 -2.060 -1.412) 2.497 11.604 ( 0.000 -2.422 -6.808) 7.226 11.630 ( 0.000 -0.053 -4.701) 4.701 12.948 ( 0.000 4.732 13.337) 14.152 13.286 ( 0.000 -0.746 -1.242) 1.448 13.389 ( 0.000 3.936 2.617) 4.726 13.632 ( 0.000 2.951 -6.471) 7.112 13.765 ( 0.000 6.405 8.085) 10.315 13.929 ( 0.000 1.604 0.041) 1.604 14.309 ( 0.000 11.370 9.957) 15.114 14.684 ( 0.000 15.418 -5.536) 16.382 15.075 ( 0.000 5.056 9.173) 10.474 15.245 ( 0.000 4.548 0.689) 4.600 15.306 ( 0.000 -3.059 14.548) 14.866 15.712 ( 0.000 -4.878 -7.195) 8.693 22.804 ( 0.000 4.978 2.241) 5.460 22.871 ( 0.000 3.566 -0.384) 3.586 23.474 ( 0.000 -0.829 7.206) 7.254 23.545 ( 0.000 -0.910 1.885) 2.093 23.628 ( 0.000 0.371 5.606) 5.619 23.878 ( 0.000 -1.097 -6.539) 6.631 24.114 ( 0.000 1.182 5.577) 5.701 24.469 ( 0.000 -1.173 -10.846) 10.909 ======================= Grid point 330 (110/144) ======================= q-point: ( 0.14 0.30 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 350 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.419 ( -7.729 12.870 10.758) 18.469 2.881 ( -7.593 3.179 -8.097) 11.546 3.224 ( 1.813 6.183 18.220) 19.326 3.450 ( 11.393 3.992 7.726) 14.333 3.680 ( 3.158 2.021 -1.589) 4.072 3.823 ( 9.576 5.800 -4.688) 12.138 4.264 ( -3.441 -4.378 -0.634) 5.604 4.478 ( 0.634 1.605 -2.047) 2.678 4.673 ( 7.408 1.733 2.122) 7.899 4.802 ( 6.715 3.506 -8.686) 11.525 5.061 ( 3.042 4.288 6.614) 8.449 5.274 ( 7.684 -1.030 -5.992) 9.799 5.766 ( 3.760 -6.889 0.438) 7.860 6.185 ( -6.062 -12.767 -16.822) 21.971 6.440 ( 5.625 -5.159 1.016) 7.700 6.751 ( 7.026 -5.067 -11.199) 14.159 8.647 ( -16.306 -1.368 -0.372) 16.368 8.716 ( -13.951 -2.477 -4.438) 14.848 9.172 ( -0.572 -5.410 4.480) 7.047 9.376 ( -2.863 -6.976 -5.689) 9.446 9.824 ( 6.877 -3.978 -2.682) 8.386 9.975 ( 5.377 -1.552 -9.671) 11.174 10.411 ( 5.915 -10.970 6.520) 14.066 10.672 ( 1.689 -12.212 -6.993) 14.174 11.348 ( -6.539 3.056 4.853) 8.698 11.497 ( -5.453 -0.888 -2.829) 6.207 11.559 ( 1.439 -2.301 -2.758) 3.869 11.663 ( 1.115 -1.097 -5.154) 5.386 12.896 ( -5.062 3.105 10.897) 12.410 13.142 ( -13.725 -0.570 0.392) 13.743 13.337 ( -1.287 1.929 0.319) 2.341 13.452 ( -7.424 1.712 -2.308) 7.961 13.985 ( 10.666 8.735 5.227) 14.744 14.048 ( 8.791 4.673 1.059) 10.011 14.316 ( 0.819 11.178 8.302) 13.948 14.653 ( -2.691 15.384 -5.145) 16.444 15.052 ( -2.006 2.763 10.163) 10.721 15.160 ( -4.987 -0.323 7.653) 9.140 15.393 ( 5.375 -0.173 7.494) 9.224 15.746 ( 2.946 -3.695 -7.689) 9.025 22.807 ( 0.347 5.143 2.161) 5.589 22.867 ( -0.333 3.905 -0.188) 3.924 23.463 ( -0.947 -0.425 7.182) 7.257 23.501 ( -2.803 -0.153 4.220) 5.069 23.673 ( 2.951 0.645 3.808) 4.861 23.904 ( 2.058 0.719 -6.417) 6.777 24.126 ( 1.348 -1.235 4.797) 5.133 24.467 ( -0.295 -2.070 -10.813) 11.013 ======================= Grid point 331 (111/144) ======================= q-point: ( 0.29 0.30 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 350 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.320 ( -1.420 12.954 11.519) 17.392 2.709 ( -8.979 6.322 -5.152) 12.130 3.285 ( 3.995 2.887 17.945) 18.609 3.544 ( -0.305 -1.147 3.061) 3.283 3.783 ( 5.059 3.665 2.856) 6.869 3.963 ( 2.010 6.200 -7.150) 9.675 4.204 ( -1.230 -2.373 5.107) 5.764 4.517 ( 1.649 1.374 -0.930) 2.339 4.793 ( 2.236 6.218 -2.520) 7.072 4.860 ( 0.663 6.320 -4.655) 7.878 5.300 ( 17.989 1.460 -1.129) 18.083 5.634 ( 25.745 -2.119 -13.524) 29.158 5.870 ( 8.410 -12.285 -1.399) 14.953 6.096 ( 0.092 -13.571 -10.772) 17.327 6.581 ( 7.626 -3.518 3.609) 9.140 6.905 ( 7.146 -6.442 -10.275) 14.076 8.116 ( -33.201 -1.884 0.106) 33.255 8.183 ( -34.009 -3.920 -3.119) 34.376 9.339 ( 12.408 -1.453 2.345) 12.711 9.489 ( 12.086 -3.984 -4.191) 13.398 9.927 ( 3.958 -5.048 -2.265) 6.803 10.092 ( 5.328 -4.478 -8.387) 10.899 10.525 ( 4.836 -6.893 3.563) 9.143 10.692 ( 0.415 -7.379 -4.183) 8.492 11.158 ( -12.398 1.121 5.149) 13.472 11.297 ( -13.479 -0.222 -2.934) 13.796 11.607 ( 2.080 -2.134 -1.493) 3.333 11.688 ( 1.900 -1.314 -4.485) 5.045 12.769 ( -6.049 -1.070 4.812) 7.803 12.873 ( -10.813 -2.662 -0.278) 11.140 13.317 ( -0.511 1.013 0.878) 1.434 13.375 ( -1.403 1.801 -0.841) 2.433 14.134 ( 4.451 11.315 7.067) 14.064 14.183 ( 3.094 11.877 3.663) 12.809 14.356 ( 3.147 9.408 3.284) 10.450 14.596 ( -2.394 15.294 -4.185) 16.036 15.000 ( -2.893 -1.425 11.522) 11.964 15.086 ( -1.825 -4.483 10.410) 11.480 15.498 ( 4.572 -0.288 4.371) 6.332 15.809 ( 2.744 -2.161 -7.935) 8.670 22.816 ( 0.445 5.384 2.025) 5.770 22.860 ( -0.270 4.807 0.219) 4.819 23.439 ( -1.292 0.418 7.397) 7.521 23.455 ( -1.613 0.903 5.880) 6.164 23.726 ( 2.146 1.825 3.080) 4.174 23.936 ( 0.708 4.139 -4.495) 6.151 24.180 ( 3.932 -5.957 0.902) 7.195 24.452 ( -1.265 -3.979 -10.196) 11.018 ======================= Grid point 332 (112/144) ======================= q-point: ( 0.43 0.30 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 350 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.355 ( 4.078 10.767 8.176) 14.122 2.532 ( -7.535 8.953 1.121) 11.756 3.364 ( 2.816 0.007 15.178) 15.437 3.520 ( -1.210 -1.287 7.438) 7.645 3.853 ( 2.218 3.372 -0.397) 4.055 3.936 ( -2.647 3.737 -5.970) 7.524 4.218 ( 1.401 4.044 6.401) 7.700 4.507 ( -1.593 5.583 3.253) 6.655 4.810 ( 0.955 -0.136 -11.440) 11.480 4.871 ( -0.267 5.382 -5.416) 7.640 5.545 ( 4.570 -2.628 -4.355) 6.837 5.873 ( 0.414 -10.315 -18.653) 21.319 6.334 ( 26.823 -5.123 -2.563) 27.428 6.387 ( 23.581 -7.000 -3.852) 24.898 6.754 ( 12.505 -3.436 4.340) 13.675 7.025 ( 5.285 -7.214 -7.897) 11.930 7.391 ( -34.806 -4.651 0.370) 35.117 7.443 ( -34.938 -5.084 -2.777) 35.415 9.579 ( 9.495 -0.431 1.344) 9.600 9.701 ( 3.777 -3.849 -4.211) 6.842 10.048 ( 8.907 0.547 -0.171) 8.925 10.156 ( -0.036 -1.131 -4.944) 5.072 10.616 ( 4.568 -6.870 0.783) 8.287 10.711 ( 0.357 -3.540 -3.555) 5.030 10.882 ( -9.704 -2.597 5.010) 11.225 11.001 ( -13.380 -2.592 -2.458) 13.848 11.636 ( 0.768 -1.177 -0.900) 1.669 11.729 ( 1.408 -1.896 -4.666) 5.230 12.685 ( -1.987 -3.905 1.122) 4.523 12.727 ( -3.523 -4.280 -0.718) 5.590 13.322 ( 0.695 1.554 1.415) 2.214 13.353 ( -0.893 1.350 -0.011) 1.618 14.184 ( 0.747 16.010 7.110) 17.534 14.205 ( 0.271 11.227 4.886) 12.247 14.408 ( 1.309 9.854 1.333) 10.030 14.563 ( -0.829 15.868 -3.566) 16.285 14.956 ( -1.068 -5.439 13.378) 14.481 15.072 ( -0.032 -5.953 10.512) 12.081 15.566 ( 1.858 -0.865 2.497) 3.230 15.848 ( 0.971 -1.431 -7.549) 7.745 22.823 ( 0.200 5.395 1.966) 5.745 22.857 ( -0.069 5.722 0.509) 5.745 23.419 ( -0.531 1.080 7.798) 7.891 23.433 ( -0.541 1.614 6.528) 6.746 23.757 ( 0.804 2.935 2.831) 4.156 23.939 ( -0.108 4.739 -2.559) 5.387 24.262 ( 3.157 -7.675 -3.630) 9.058 24.417 ( -1.708 -5.442 -8.532) 10.263 ======================= Grid point 336 (113/144) ======================= q-point: ( 0.00 0.40 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 208 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.732 ( 0.000 8.346 7.449) 11.187 2.930 ( 0.000 -3.465 3.992) 5.286 3.390 ( 0.000 4.780 9.246) 10.408 3.392 ( 0.000 9.546 10.609) 14.272 3.664 ( 0.000 -0.786 0.182) 0.806 3.699 ( 0.000 -4.767 -4.828) 6.785 4.231 ( 0.000 -2.825 1.855) 3.380 4.386 ( 0.000 -7.745 -7.162) 10.549 4.621 ( 0.000 5.400 -1.176) 5.526 4.728 ( 0.000 0.624 -5.956) 5.989 5.213 ( 0.000 8.693 10.326) 13.498 5.296 ( 0.000 3.304 1.527) 3.639 5.688 ( 0.000 1.210 -5.704) 5.831 6.031 ( 0.000 -11.025 -19.020) 21.984 6.298 ( 0.000 -2.050 -0.067) 2.052 6.598 ( 0.000 -2.577 -12.205) 12.474 8.698 ( 0.000 -2.995 -2.338) 3.800 8.757 ( 0.000 -1.895 -5.704) 6.010 9.219 ( 0.000 -1.393 2.377) 2.755 9.364 ( 0.000 -5.381 -5.028) 7.364 9.684 ( 0.000 0.132 3.140) 3.143 9.907 ( 0.000 -0.986 -8.930) 8.984 10.129 ( 0.000 -5.821 3.370) 6.726 10.389 ( 0.000 -11.832 -9.338) 15.073 11.467 ( 0.000 1.229 4.543) 4.706 11.480 ( 0.000 -0.193 -1.928) 1.937 11.570 ( 0.000 -1.184 -6.643) 6.748 11.626 ( 0.000 -0.196 -3.861) 3.866 13.039 ( 0.000 4.281 13.400) 14.067 13.253 ( 0.000 -2.206 3.373) 4.031 13.461 ( 0.000 2.974 -0.064) 2.975 13.671 ( 0.000 1.207 -6.414) 6.526 13.832 ( 0.000 1.413 6.128) 6.289 13.918 ( 0.000 -1.342 1.156) 1.772 14.540 ( 0.000 10.690 13.225) 17.006 14.942 ( 0.000 9.228 0.117) 9.229 15.156 ( 0.000 3.072 8.485) 9.024 15.268 ( 0.000 0.288 11.015) 11.018 15.320 ( 0.000 2.901 0.225) 2.909 15.609 ( 0.000 -5.719 -9.528) 11.112 22.877 ( 0.000 2.528 2.064) 3.263 22.914 ( 0.000 1.061 0.999) 1.457 23.470 ( 0.000 0.276 6.936) 6.941 23.539 ( 0.000 0.083 1.732) 1.734 23.634 ( 0.000 0.270 5.068) 5.076 23.860 ( 0.000 -0.731 -5.870) 5.915 24.141 ( 0.000 1.292 4.488) 4.671 24.445 ( 0.000 -1.112 -9.659) 9.723 ======================= Grid point 337 (114/144) ======================= q-point: ( 0.14 0.40 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 352 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.663 ( -4.810 11.600 9.176) 15.553 2.903 ( -2.401 -0.391 2.314) 3.358 3.261 ( -3.311 -1.489 13.469) 13.950 3.520 ( -1.399 0.096 1.203) 1.847 3.715 ( 12.146 5.943 4.191) 14.156 3.930 ( 13.611 2.128 -2.444) 13.991 4.188 ( -3.275 -2.542 3.017) 5.127 4.403 ( 2.045 -6.557 -8.723) 11.103 4.733 ( 11.268 4.026 0.489) 11.975 4.859 ( 11.103 1.249 -5.118) 12.290 5.179 ( -2.218 6.431 7.665) 10.248 5.289 ( 1.842 1.906 0.475) 2.693 5.694 ( 0.084 -0.724 -8.099) 8.132 5.958 ( -5.643 -10.008 -17.412) 20.861 6.372 ( 6.618 -1.899 0.211) 6.888 6.661 ( 5.300 -3.768 -12.049) 13.691 8.617 ( -14.407 -1.525 -0.712) 14.505 8.672 ( -15.375 -1.810 -4.425) 16.101 9.108 ( 0.820 -1.287 1.786) 2.349 9.243 ( -1.350 -6.094 -4.593) 7.749 9.785 ( 5.468 -0.376 -0.326) 5.490 9.951 ( 2.934 -1.273 -8.788) 9.352 10.246 ( 9.013 -5.239 3.147) 10.889 10.450 ( 5.074 -9.924 -7.168) 13.251 11.392 ( -6.599 1.450 3.488) 7.604 11.488 ( -4.743 -0.032 -2.721) 5.468 11.527 ( 0.950 -1.228 -2.099) 2.611 11.650 ( 1.198 -0.372 -5.162) 5.312 12.961 ( -7.839 3.289 10.608) 13.594 13.119 ( -13.505 -1.683 2.937) 13.922 13.366 ( -4.049 1.019 -0.319) 4.187 13.473 ( -7.293 0.583 -2.495) 7.730 14.067 ( 11.084 1.306 3.680) 11.752 14.111 ( 14.932 2.115 1.817) 15.190 14.540 ( -0.106 10.272 12.090) 15.865 14.907 ( -3.369 9.323 -0.807) 9.946 15.086 ( -4.819 0.632 10.368) 11.451 15.160 ( -7.503 0.461 7.447) 10.581 15.415 ( 5.718 2.722 2.917) 6.972 15.666 ( 4.366 -4.730 -8.804) 10.906 22.884 ( 0.688 2.714 2.166) 3.540 22.918 ( 0.412 1.483 1.191) 1.946 23.463 ( -0.635 0.280 6.871) 6.906 23.504 ( -2.253 0.282 3.482) 4.157 23.685 ( 3.717 0.517 3.917) 5.424 23.906 ( 4.171 -0.419 -6.406) 7.656 24.122 ( -1.703 0.581 4.532) 4.877 24.431 ( -1.443 -1.524 -9.837) 10.059 ======================= Grid point 338 (115/144) ======================= q-point: ( 0.29 0.40 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 352 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.596 ( -1.181 14.365 10.277) 17.702 2.832 ( -4.491 5.445 1.370) 7.190 3.241 ( 1.160 -6.047 15.697) 16.861 3.475 ( -2.524 -3.900 2.548) 5.299 3.900 ( 4.922 7.843 4.111) 10.131 4.073 ( -2.004 1.501 -1.764) 3.063 4.213 ( 7.694 3.771 1.381) 8.679 4.469 ( 3.857 -5.302 -6.877) 9.501 4.914 ( -2.058 5.246 1.454) 5.820 4.985 ( 1.752 5.815 0.377) 6.085 5.321 ( 16.810 0.814 -2.535) 17.020 5.564 ( 26.915 -5.291 0.197) 27.431 5.700 ( 1.750 -3.962 -16.138) 16.709 5.884 ( 2.556 -8.159 -13.394) 15.890 6.533 ( 8.177 -1.129 0.390) 8.264 6.775 ( 5.050 -6.363 -10.093) 12.955 8.078 ( -34.573 -1.636 -0.825) 34.621 8.108 ( -34.906 -3.410 -2.153) 35.138 9.331 ( 15.095 0.498 0.220) 15.104 9.414 ( 14.225 -3.437 -3.318) 15.006 9.884 ( 5.664 0.213 -2.266) 6.104 10.025 ( 4.949 -2.807 -8.537) 10.260 10.410 ( 6.173 -4.255 3.024) 8.084 10.558 ( 4.913 -5.995 -4.139) 8.788 11.175 ( -14.804 0.635 5.027) 15.647 11.294 ( -13.836 -0.132 -2.695) 14.096 11.581 ( 3.106 -0.675 -1.297) 3.433 11.674 ( 1.297 -0.383 -4.795) 4.982 12.765 ( -9.362 0.459 4.063) 10.216 12.827 ( -12.384 -2.103 0.840) 12.589 13.330 ( -0.041 0.387 1.561) 1.609 13.399 ( -1.609 0.781 -0.834) 1.973 14.263 ( 7.558 4.073 5.711) 10.312 14.371 ( 9.665 5.372 1.753) 11.196 14.532 ( -0.583 8.426 9.698) 12.860 14.822 ( -4.031 6.870 -0.231) 7.969 14.993 ( -5.955 0.021 9.798) 11.466 15.015 ( -3.956 -1.609 9.258) 10.195 15.523 ( 4.517 3.131 1.686) 5.749 15.749 ( 3.328 -4.161 -7.764) 9.417 22.901 ( 0.808 3.222 2.492) 4.153 22.930 ( 0.719 2.337 1.484) 2.860 23.447 ( -0.842 0.460 6.880) 6.946 23.467 ( -1.225 0.316 5.160) 5.313 23.763 ( 3.679 1.717 3.574) 5.409 24.005 ( 4.186 2.307 -7.147) 8.598 24.084 ( -0.879 -3.257 3.759) 5.051 24.386 ( -2.853 -2.614 -9.914) 10.643 ======================= Grid point 339 (116/144) ======================= q-point: ( 0.43 0.40 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 352 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.610 ( 1.818 13.909 8.819) 16.570 2.737 ( -3.940 10.436 3.978) 11.843 3.287 ( 2.431 -5.859 13.781) 15.171 3.420 ( -2.385 -6.549 6.878) 9.792 3.954 ( 1.273 5.340 3.775) 6.662 4.021 ( -1.902 3.185 -0.743) 3.783 4.340 ( 3.805 7.201 -1.653) 8.310 4.530 ( 1.457 -3.057 -1.008) 3.533 4.848 ( -1.589 3.539 -3.691) 5.355 4.944 ( -3.195 1.919 -0.442) 3.753 5.518 ( 2.246 0.232 -10.160) 10.408 5.679 ( -1.135 -8.448 -16.892) 18.921 6.246 ( 30.919 -3.262 -4.827) 31.463 6.286 ( 28.977 -3.669 -5.580) 29.736 6.684 ( 7.903 -2.708 1.299) 8.454 6.852 ( 2.603 -9.611 -6.284) 11.774 7.324 ( -35.238 -2.178 -1.227) 35.327 7.366 ( -34.182 -2.800 -3.417) 34.466 9.577 ( 7.132 0.272 -1.660) 7.328 9.633 ( 4.289 -2.875 -4.477) 6.834 10.090 ( 12.914 3.399 -0.544) 13.365 10.175 ( 8.347 1.822 -3.902) 9.392 10.495 ( 3.244 -5.132 2.640) 6.620 10.629 ( -0.485 -4.370 -3.924) 5.893 10.844 ( -11.825 -1.355 5.388) 13.065 10.962 ( -15.991 -1.363 -1.926) 16.164 11.633 ( 1.557 0.570 -1.653) 2.341 11.697 ( 0.726 -1.465 -4.284) 4.585 12.632 ( -3.216 -1.572 0.782) 3.664 12.658 ( -4.060 -2.720 -0.398) 4.903 13.345 ( 1.131 0.801 1.511) 2.051 13.373 ( -1.169 0.666 0.292) 1.377 14.366 ( 2.527 7.014 6.433) 9.847 14.465 ( 0.118 10.559 4.422) 11.448 14.550 ( 2.152 4.549 5.949) 7.792 14.767 ( -1.283 3.364 0.629) 3.655 14.893 ( -2.666 -0.260 11.298) 11.612 14.975 ( -0.899 -2.902 8.007) 8.564 15.589 ( 1.762 3.370 0.529) 3.840 15.794 ( 1.081 -4.204 -6.757) 8.032 22.913 ( 0.363 3.762 2.815) 4.713 22.943 ( 0.373 2.895 1.622) 3.340 23.434 ( -0.378 0.618 7.112) 7.148 23.452 ( -0.351 0.265 6.048) 6.064 23.825 ( 2.003 3.835 3.559) 5.602 24.006 ( -1.494 0.625 1.532) 2.229 24.147 ( 4.030 -2.705 -7.003) 8.520 24.321 ( -2.977 -4.339 -9.084) 10.498 ======================= Grid point 343 (117/144) ======================= q-point: ( 0.00 -0.50 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.831 ( 0.000 0.000 6.841) 6.841 2.885 ( 0.000 0.000 8.917) 8.917 3.442 ( 0.000 0.000 6.107) 6.107 3.512 ( 0.000 0.000 6.212) 6.212 3.623 ( 0.000 0.000 4.366) 4.366 3.629 ( 0.000 0.000 -2.332) 2.332 4.210 ( 0.000 0.000 2.833) 2.833 4.305 ( 0.000 0.000 -5.803) 5.803 4.690 ( 0.000 0.000 -4.773) 4.773 4.722 ( 0.000 0.000 -6.353) 6.353 5.313 ( 0.000 0.000 10.336) 10.336 5.324 ( 0.000 -0.000 3.692) 3.692 5.724 ( 0.000 0.000 -11.073) 11.073 5.900 ( 0.000 0.000 -15.210) 15.210 6.280 ( 0.000 0.000 -0.782) 0.782 6.573 ( 0.000 0.000 -12.913) 12.913 8.668 ( 0.000 0.000 -2.501) 2.501 8.737 ( 0.000 0.000 -7.009) 7.009 9.209 ( 0.000 0.000 1.425) 1.425 9.309 ( 0.000 0.000 -3.497) 3.497 9.688 ( 0.000 0.000 5.552) 5.552 9.880 ( 0.000 0.000 -4.969) 4.969 10.107 ( 0.000 -0.000 -3.065) 3.065 10.248 ( 0.000 0.000 -9.487) 9.487 11.478 ( 0.000 0.000 4.123) 4.123 11.480 ( 0.000 0.000 -2.249) 2.249 11.558 ( 0.000 0.000 -6.394) 6.394 11.624 ( 0.000 0.000 -3.588) 3.588 13.089 ( 0.000 0.000 13.548) 13.548 13.223 ( 0.000 0.000 4.226) 4.226 13.491 ( 0.000 0.000 -0.521) 0.521 13.682 ( 0.000 0.000 -6.261) 6.261 13.843 ( 0.000 0.000 5.449) 5.449 13.903 ( 0.000 0.000 1.560) 1.560 14.657 ( 0.000 0.000 14.616) 14.616 15.012 ( 0.000 0.000 7.005) 7.005 15.187 ( 0.000 0.000 8.265) 8.265 15.307 ( 0.000 0.000 7.892) 7.892 15.349 ( 0.000 0.000 0.037) 0.037 15.529 ( 0.000 0.000 -13.629) 13.629 22.902 ( 0.000 0.000 1.816) 1.816 22.921 ( 0.000 0.000 1.697) 1.697 23.475 ( 0.000 0.000 6.886) 6.886 23.541 ( 0.000 0.000 1.689) 1.689 23.637 ( 0.000 0.000 4.846) 4.846 23.852 ( 0.000 0.000 -5.597) 5.597 24.155 ( 0.000 0.000 3.858) 3.858 24.433 ( 0.000 0.000 -9.066) 9.066 ======================= Grid point 345 (118/144) ======================= q-point: ( 0.14 -0.50 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 210 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.804 ( -1.909 0.000 7.983) 8.209 2.889 ( 0.396 0.000 7.779) 7.789 3.222 ( -8.015 0.000 11.179) 13.756 3.509 ( -3.720 0.000 -1.511) 4.015 3.844 ( 15.772 0.000 3.645) 16.187 3.888 ( 15.010 0.000 2.899) 15.287 4.174 ( -2.259 0.000 3.393) 4.076 4.324 ( 2.458 0.000 -8.665) 9.007 4.787 ( 10.852 0.000 -2.324) 11.099 4.856 ( 11.374 0.000 -5.276) 12.538 5.270 ( -1.716 0.000 9.162) 9.321 5.296 ( -2.471 0.000 2.688) 3.651 5.706 ( -1.806 0.000 -13.744) 13.862 5.842 ( -4.550 0.000 -15.217) 15.883 6.357 ( 6.991 0.000 -0.680) 7.024 6.622 ( 4.028 0.000 -12.284) 12.927 8.600 ( -13.413 0.000 -0.735) 13.433 8.653 ( -16.672 0.000 -4.486) 17.265 9.105 ( 1.967 0.000 -0.244) 1.982 9.173 ( -1.189 0.000 -3.176) 3.391 9.788 ( 5.449 0.000 0.918) 5.525 9.931 ( 2.634 0.000 -6.966) 7.447 10.209 ( 8.477 0.000 -0.470) 8.490 10.337 ( 7.469 0.000 -6.800) 10.101 11.405 ( -6.630 0.000 3.092) 7.316 11.491 ( -6.080 0.000 -4.094) 7.330 11.513 ( 2.337 0.000 -0.603) 2.413 11.646 ( 1.277 0.000 -5.064) 5.222 13.002 ( -9.077 0.000 10.419) 13.818 13.095 ( -12.946 -0.000 3.845) 13.505 13.376 ( -5.389 0.000 -0.473) 5.409 13.478 ( -7.036 0.000 -2.514) 7.472 14.076 ( 12.090 0.000 3.466) 12.577 14.130 ( 16.039 0.000 1.817) 16.141 14.651 ( -0.728 0.000 13.505) 13.524 14.987 ( -2.782 0.000 4.356) 5.169 15.093 ( -7.010 0.000 9.046) 11.444 15.167 ( -7.958 0.000 6.925) 10.549 15.469 ( 6.303 -0.000 1.165) 6.409 15.594 ( 4.730 0.000 -11.041) 12.011 22.911 ( 0.870 0.000 2.077) 2.252 22.930 ( 0.838 0.000 1.852) 2.032 23.467 ( -0.639 0.000 6.721) 6.751 23.507 ( -2.205 0.000 3.205) 3.890 23.690 ( 4.065 0.000 3.936) 5.658 23.900 ( 4.331 0.000 -5.872) 7.296 24.131 ( -2.267 0.000 3.757) 4.388 24.415 ( -1.815 0.000 -9.329) 9.504 ======================= Grid point 347 (119/144) ======================= q-point: ( 0.29 -0.50 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 210 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.778 ( -0.334 0.000 9.197) 9.203 2.887 ( -1.194 0.000 5.672) 5.797 3.145 ( 0.407 0.000 14.729) 14.735 3.435 ( -4.011 0.000 0.645) 4.062 4.018 ( 2.427 0.000 5.252) 5.786 4.056 ( -0.442 -0.000 1.528) 1.591 4.253 ( 10.917 0.000 2.960) 11.311 4.402 ( 3.995 0.000 -11.944) 12.595 4.957 ( -3.374 0.000 3.195) 4.646 5.058 ( 3.382 0.000 0.195) 3.388 5.338 ( 15.083 -0.000 -0.889) 15.109 5.484 ( 20.363 0.000 2.144) 20.476 5.685 ( 4.773 0.000 -19.287) 19.869 5.796 ( 3.943 0.000 -14.744) 15.262 6.529 ( 8.995 0.000 -1.934) 9.200 6.700 ( 2.838 0.000 -9.505) 9.919 8.066 ( -36.003 -0.000 -1.997) 36.058 8.068 ( -34.174 0.000 -1.008) 34.189 9.347 ( 16.220 0.000 -1.089) 16.257 9.370 ( 14.760 0.000 -2.635) 14.993 9.900 ( 7.293 0.000 -2.447) 7.693 9.989 ( 4.410 0.000 -7.415) 8.628 10.371 ( 6.237 0.000 1.964) 6.539 10.492 ( 6.756 0.000 -4.034) 7.869 11.182 ( -15.488 0.000 4.968) 16.265 11.292 ( -13.934 0.000 -2.640) 14.182 11.575 ( 3.528 0.000 -1.256) 3.745 11.670 ( 1.040 0.000 -4.820) 4.931 12.777 ( -10.506 0.000 3.301) 11.012 12.799 ( -13.017 -0.000 1.740) 13.132 13.333 ( 0.180 -0.000 1.828) 1.837 13.406 ( -1.654 0.000 -0.785) 1.831 14.303 ( 9.413 0.000 5.506) 10.905 14.416 ( 11.438 0.000 1.266) 11.508 14.623 ( -1.951 0.000 11.553) 11.716 14.875 ( -7.360 0.000 2.008) 7.629 14.988 ( -3.166 0.000 10.508) 10.974 15.017 ( -6.198 0.000 8.536) 10.549 15.587 ( 5.106 -0.000 -0.659) 5.148 15.678 ( 2.941 0.000 -8.250) 8.759 22.934 ( 1.290 0.000 2.576) 2.881 22.951 ( 0.999 0.000 2.234) 2.447 23.453 ( -0.603 0.000 6.558) 6.586 23.469 ( -1.475 0.000 4.768) 4.991 23.782 ( 4.723 0.000 3.733) 6.020 24.012 ( 5.951 0.000 -5.899) 8.379 24.068 ( -3.421 0.000 2.615) 4.306 24.359 ( -3.581 0.000 -9.737) 10.375 ======================= Grid point 349 (120/144) ======================= q-point: ( 0.43 -0.50 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 210 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.793 ( 1.719 0.000 8.911) 9.075 2.841 ( -2.739 0.000 7.183) 7.687 3.215 ( 5.521 0.000 11.646) 12.888 3.336 ( -5.705 0.000 5.923) 8.224 4.029 ( -0.173 0.000 4.610) 4.613 4.033 ( -0.816 0.000 3.148) 3.252 4.437 ( 5.549 -0.000 -2.158) 5.954 4.465 ( 1.825 0.000 -7.585) 7.801 4.887 ( -0.774 0.000 2.630) 2.742 4.961 ( -6.760 0.000 0.909) 6.821 5.547 ( 2.311 0.000 -14.112) 14.300 5.574 ( -1.171 -0.000 -15.039) 15.085 6.227 ( 32.099 0.000 -4.957) 32.479 6.238 ( 32.498 -0.000 -6.402) 33.123 6.691 ( 5.624 -0.000 -3.880) 6.833 6.709 ( -2.591 0.000 -3.229) 4.140 7.304 ( -33.896 0.000 -1.826) 33.945 7.339 ( -33.073 0.000 -3.380) 33.245 9.591 ( 5.242 0.000 -3.975) 6.579 9.594 ( 5.520 -0.000 -3.637) 6.611 10.146 ( 14.840 0.000 -0.562) 14.851 10.183 ( 13.563 -0.000 -2.461) 13.784 10.444 ( 1.407 0.000 2.698) 3.043 10.577 ( -1.582 0.000 -4.210) 4.497 10.831 ( -12.772 0.000 5.516) 13.912 10.949 ( -17.051 0.000 -1.820) 17.148 11.644 ( 2.810 0.000 -2.305) 3.634 11.679 ( -0.526 0.000 -3.686) 3.724 12.623 ( -3.985 0.000 0.243) 3.992 12.626 ( -3.954 -0.000 0.145) 3.956 13.352 ( 1.316 0.000 1.568) 2.047 13.379 ( -1.254 0.000 0.426) 1.324 14.452 ( 5.304 0.000 6.427) 8.333 14.530 ( -1.964 0.000 4.195) 4.632 14.635 ( 5.196 0.000 7.536) 9.154 14.742 ( -5.398 0.000 4.428) 6.982 14.934 ( -1.758 0.000 8.593) 8.771 14.938 ( -1.693 -0.000 8.432) 8.600 15.672 ( 3.048 -0.000 -2.911) 4.215 15.706 ( -0.190 0.000 -5.543) 5.547 22.958 ( 0.856 0.000 2.822) 2.949 22.965 ( 0.226 -0.000 2.644) 2.654 23.445 ( -0.193 -0.000 6.419) 6.422 23.448 ( -0.554 0.000 5.900) 5.926 23.879 ( 4.811 0.000 3.814) 6.140 23.976 ( -4.602 0.000 3.949) 6.064 24.149 ( 6.382 0.000 -8.698) 10.789 24.269 ( -5.226 0.000 -9.596) 10.927 ======================= Grid point 385 (121/144) ======================= q-point: ( 0.00 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.215 ( 0.000 0.000 -22.268) 22.268 2.215 ( 0.000 0.000 22.268) 22.268 3.116 ( 0.000 0.000 -16.854) 16.854 3.116 ( 0.000 0.000 16.854) 16.854 3.486 ( 0.000 0.000 -4.915) 4.915 3.486 ( 0.000 0.000 4.915) 4.915 4.197 ( 0.000 0.000 -1.541) 1.541 4.197 ( 0.000 0.000 1.541) 1.541 4.519 ( 0.000 0.000 -16.918) 16.918 4.519 ( 0.000 0.000 16.918) 16.918 5.301 ( 0.000 0.000 -6.126) 6.126 5.301 ( 0.000 0.000 6.126) 6.126 6.403 ( 0.000 0.000 -15.990) 15.990 6.403 ( 0.000 0.000 15.990) 15.990 6.746 ( 0.000 0.000 -4.222) 4.222 6.746 ( 0.000 0.000 4.222) 4.222 8.897 ( 0.000 0.000 -2.431) 2.431 8.897 ( 0.000 0.000 2.431) 2.431 9.738 ( 0.000 0.000 -4.927) 4.927 9.738 ( 0.000 0.000 4.927) 4.927 9.783 ( 0.000 0.000 -2.702) 2.702 9.783 ( 0.000 0.000 2.702) 2.702 10.977 ( 0.000 0.000 -5.175) 5.175 10.977 ( 0.000 0.000 5.175) 5.175 11.416 ( 0.000 0.000 -7.820) 7.820 11.416 ( 0.000 0.000 7.820) 7.820 11.831 ( 0.000 0.000 -1.324) 1.324 11.831 ( 0.000 0.000 1.324) 1.324 12.982 ( 0.000 0.000 -5.329) 5.329 12.982 ( 0.000 0.000 5.329) 5.329 13.250 ( 0.000 0.000 -0.331) 0.331 13.250 ( 0.000 0.000 0.331) 0.331 13.401 ( 0.000 0.000 -0.235) 0.235 13.401 ( 0.000 0.000 0.235) 0.235 14.203 ( 0.000 0.000 -2.270) 2.270 14.203 ( 0.000 0.000 2.270) 2.270 15.028 ( 0.000 0.000 -5.054) 5.054 15.028 ( 0.000 0.000 5.054) 5.054 15.711 ( 0.000 0.000 -12.105) 12.105 15.711 ( 0.000 0.000 12.105) 12.105 22.593 ( 0.000 0.000 -2.177) 2.177 22.593 ( 0.000 0.000 2.177) 2.177 23.650 ( 0.000 0.000 -0.046) 0.046 23.650 ( 0.000 0.000 0.046) 0.046 23.761 ( 0.000 0.000 -7.866) 7.866 23.761 ( 0.000 0.000 7.866) 7.866 24.261 ( 0.000 0.000 -10.093) 10.093 24.261 ( 0.000 0.000 10.093) 10.093 ======================= Grid point 387 (122/144) ======================= q-point: ( 0.14 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.270 ( 5.236 0.000 -19.983) 20.657 2.270 ( 5.236 0.000 19.983) 20.657 3.038 ( -4.304 0.000 -9.469) 10.401 3.038 ( -4.304 0.000 9.469) 10.401 3.737 ( 17.422 0.000 -2.587) 17.613 3.737 ( 17.422 0.000 2.587) 17.613 4.187 ( 0.111 0.000 -2.575) 2.577 4.187 ( 0.111 0.000 2.575) 2.577 4.564 ( 5.009 0.000 -15.814) 16.588 4.564 ( 5.009 0.000 15.814) 16.588 5.267 ( -2.151 0.000 -4.017) 4.557 5.267 ( -2.151 0.000 4.017) 4.557 6.492 ( 7.751 0.000 -12.839) 14.997 6.492 ( 7.751 0.000 12.839) 14.997 6.745 ( -0.036 0.000 -4.458) 4.458 6.745 ( -0.036 0.000 4.458) 4.458 8.715 ( -18.137 0.000 -2.538) 18.314 8.715 ( -18.137 0.000 2.538) 18.314 9.536 ( -5.707 0.000 -0.670) 5.746 9.536 ( -5.707 0.000 0.670) 5.746 10.062 ( 14.407 0.000 -0.834) 14.431 10.062 ( 14.407 0.000 0.834) 14.431 10.960 ( -3.262 0.000 -6.020) 6.847 10.960 ( -3.262 0.000 6.020) 6.847 11.362 ( -4.354 0.000 -7.238) 8.447 11.362 ( -4.354 0.000 7.238) 8.447 11.813 ( -1.525 0.000 -1.290) 1.997 11.813 ( -1.525 0.000 1.290) 1.998 12.993 ( 0.501 0.000 -4.317) 4.346 12.993 ( 0.501 0.000 4.317) 4.346 13.176 ( -3.576 0.000 -1.183) 3.767 13.176 ( -3.576 0.000 1.183) 3.767 13.475 ( 4.236 0.000 -1.524) 4.502 13.475 ( 4.236 0.000 1.524) 4.502 14.121 ( -6.864 0.000 -1.456) 7.017 14.121 ( -6.864 0.000 1.456) 7.017 15.123 ( 7.984 0.000 -6.035) 10.008 15.123 ( 7.984 0.000 6.035) 10.008 15.705 ( -0.486 0.000 -11.896) 11.906 15.705 ( -0.486 0.000 11.896) 11.906 22.591 ( -0.232 0.000 -1.960) 1.973 22.591 ( -0.232 0.000 1.960) 1.973 23.599 ( -5.019 0.000 -0.870) 5.094 23.599 ( -5.019 0.000 0.870) 5.094 23.742 ( -0.670 0.000 -5.419) 5.460 23.742 ( -0.670 0.000 5.419) 5.460 24.335 ( 5.992 0.000 -8.410) 10.327 24.335 ( 5.992 0.000 8.410) 10.327 ======================= Grid point 389 (123/144) ======================= q-point: ( 0.29 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.412 ( 7.877 0.000 -14.043) 16.101 2.412 ( 7.877 0.000 14.043) 16.101 2.977 ( -1.871 0.000 -5.305) 5.625 2.977 ( -1.871 0.000 5.305) 5.625 3.938 ( 1.895 0.000 -3.273) 3.782 3.938 ( 1.895 0.000 3.273) 3.782 4.237 ( 2.432 0.000 -4.072) 4.743 4.237 ( 2.432 0.000 4.072) 4.743 4.742 ( 9.224 0.000 -6.214) 11.122 4.742 ( 9.224 0.000 6.214) 11.122 5.332 ( 13.224 0.000 -2.687) 13.494 5.332 ( 13.224 0.000 2.687) 13.494 6.653 ( 5.620 0.000 -3.076) 6.407 6.653 ( 5.620 0.000 3.076) 6.407 6.759 ( 2.437 0.000 -0.851) 2.581 6.759 ( 2.437 0.000 0.851) 2.581 8.206 ( -29.232 0.000 -2.562) 29.344 8.206 ( -29.232 0.000 2.562) 29.344 9.543 ( 5.671 0.000 -4.529) 7.257 9.543 ( 5.671 0.000 4.529) 7.257 10.335 ( 11.513 0.000 -0.563) 11.527 10.335 ( 11.513 0.000 0.563) 11.527 10.800 ( -11.276 0.000 -7.972) 13.809 10.800 ( -11.276 0.000 7.972) 13.809 11.254 ( -6.825 0.000 -3.916) 7.868 11.254 ( -6.825 0.000 3.916) 7.868 11.794 ( 0.294 0.000 -0.092) 0.308 11.794 ( 0.294 0.000 0.092) 0.308 12.981 ( -1.287 0.000 -0.365) 1.337 12.981 ( -1.287 0.000 0.365) 1.337 13.173 ( 2.767 0.000 -1.403) 3.102 13.173 ( 2.767 0.000 1.403) 3.102 13.534 ( 1.479 0.000 -1.603) 2.181 13.534 ( 1.479 0.000 1.603) 2.181 13.968 ( -7.282 0.000 -0.403) 7.293 13.968 ( -7.282 0.000 0.403) 7.293 15.295 ( 7.777 0.000 -7.018) 10.476 15.295 ( 7.777 0.000 7.018) 10.476 15.694 ( -0.530 0.000 -10.593) 10.606 15.694 ( -0.530 0.000 10.593) 10.606 22.585 ( -0.256 0.000 -1.349) 1.373 22.585 ( -0.256 0.000 1.349) 1.373 23.483 ( -5.360 0.000 -1.248) 5.503 23.483 ( -5.360 0.000 1.248) 5.503 23.742 ( 0.411 0.000 -2.784) 2.814 23.742 ( 0.411 0.000 2.784) 2.814 24.457 ( 5.252 0.000 -5.600) 7.677 24.457 ( 5.252 0.000 5.600) 7.677 ======================= Grid point 391 (124/144) ======================= q-point: ( 0.43 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.547 ( 4.183 0.000 -5.350) 6.791 2.547 ( 4.183 0.000 5.350) 6.791 2.951 ( -0.769 0.000 -2.168) 2.300 2.951 ( -0.769 0.000 2.168) 2.300 3.942 ( -0.093 0.000 -0.857) 0.862 3.942 ( -0.093 0.000 0.857) 0.862 4.235 ( -1.234 0.000 -1.955) 2.312 4.235 ( -1.234 0.000 1.955) 2.312 4.820 ( 0.481 0.000 -0.153) 0.504 4.820 ( 0.481 0.000 0.153) 0.504 5.760 ( 19.406 0.000 -4.436) 19.907 5.760 ( 19.406 0.000 4.436) 19.907 6.688 ( -0.371 0.000 -6.242) 6.253 6.688 ( -0.371 0.000 6.242) 6.253 6.832 ( 2.287 0.000 -4.806) 5.323 6.832 ( 2.287 0.000 4.806) 5.323 7.661 ( -18.950 0.000 -1.400) 19.001 7.661 ( -18.950 0.000 1.400) 19.001 9.710 ( 7.940 0.000 -4.440) 9.097 9.710 ( 7.940 0.000 4.440) 9.097 10.396 ( -6.475 0.000 -3.378) 7.303 10.396 ( -6.475 0.000 3.378) 7.303 10.700 ( 4.356 0.000 -2.327) 4.938 10.700 ( 4.356 0.000 2.327) 4.938 11.090 ( -7.398 0.000 -1.063) 7.474 11.090 ( -7.398 0.000 1.063) 7.474 11.816 ( 1.024 0.000 -0.349) 1.082 11.816 ( 1.024 0.000 0.349) 1.082 12.963 ( -0.396 0.000 -0.368) 0.541 12.963 ( -0.396 0.000 0.368) 0.541 13.237 ( 2.363 0.000 -1.200) 2.651 13.237 ( 2.363 0.000 1.200) 2.651 13.544 ( -0.068 0.000 -0.438) 0.443 13.544 ( -0.068 0.000 0.438) 0.443 13.853 ( -3.310 0.000 -0.017) 3.310 13.853 ( -3.310 0.000 0.017) 3.310 15.411 ( 3.067 0.000 -3.885) 4.950 15.411 ( 3.067 0.000 3.885) 4.950 15.686 ( -0.239 0.000 -5.065) 5.071 15.686 ( -0.239 0.000 5.065) 5.071 22.581 ( -0.101 0.000 -0.478) 0.489 22.581 ( -0.101 0.000 0.478) 0.489 23.404 ( -2.079 0.000 -0.519) 2.143 23.404 ( -2.079 0.000 0.519) 2.143 23.751 ( 0.258 0.000 -0.907) 0.943 23.751 ( 0.258 0.000 0.907) 0.943 24.533 ( 1.930 0.000 -2.010) 2.787 24.533 ( 1.930 0.000 2.010) 2.787 ======================= Grid point 399 (125/144) ======================= q-point: ( 0.00 0.10 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.326 ( 0.000 10.372 -20.109) 22.626 2.326 ( 0.000 10.372 20.109) 22.626 3.169 ( 0.000 5.261 -16.339) 17.165 3.169 ( 0.000 5.261 16.339) 17.165 3.463 ( 0.000 -1.348 -3.193) 3.466 3.463 ( 0.000 -1.348 3.193) 3.466 4.293 ( 0.000 8.832 -6.199) 10.791 4.293 ( 0.000 8.832 6.199) 10.791 4.504 ( 0.000 -1.659 -16.038) 16.123 4.504 ( 0.000 -1.659 16.038) 16.123 5.254 ( 0.000 -4.478 -6.206) 7.653 5.254 ( 0.000 -4.478 6.206) 7.653 6.327 ( 0.000 -7.615 -16.650) 18.309 6.327 ( 0.000 -7.615 16.650) 18.309 6.703 ( 0.000 -4.264 -5.578) 7.022 6.703 ( 0.000 -4.264 5.578) 7.022 8.882 ( 0.000 -1.616 -2.279) 2.793 8.882 ( 0.000 -1.616 2.279) 2.793 9.705 ( 0.000 -7.446 -6.051) 9.595 9.705 ( 0.000 -7.446 6.051) 9.595 9.737 ( 0.000 -0.103 -5.070) 5.071 9.737 ( 0.000 -0.103 5.070) 5.071 10.926 ( 0.000 -5.564 -5.622) 7.910 10.926 ( 0.000 -5.564 5.622) 7.910 11.445 ( 0.000 2.623 -7.704) 8.138 11.445 ( 0.000 2.623 7.704) 8.138 11.736 ( 0.000 -8.115 -2.982) 8.645 11.736 ( 0.000 -8.115 2.982) 8.645 13.012 ( 0.000 2.969 -7.486) 8.053 13.012 ( 0.000 2.969 7.486) 8.053 13.412 ( 0.000 14.722 -4.601) 15.424 13.412 ( 0.000 14.722 4.601) 15.424 13.416 ( 0.000 1.458 -2.662) 3.035 13.416 ( 0.000 1.458 2.662) 3.035 14.219 ( 0.000 1.858 -3.030) 3.554 14.219 ( 0.000 1.858 3.030) 3.554 15.054 ( 0.000 2.618 -4.935) 5.587 15.054 ( 0.000 2.618 4.935) 5.587 15.687 ( 0.000 -2.315 -11.744) 11.970 15.687 ( 0.000 -2.315 11.744) 11.970 22.636 ( 0.000 4.220 -2.262) 4.788 22.636 ( 0.000 4.220 2.262) 4.788 23.631 ( 0.000 -1.842 -0.778) 1.999 23.631 ( 0.000 -1.842 0.778) 1.999 23.759 ( 0.000 -0.185 -7.671) 7.674 23.759 ( 0.000 -0.185 7.671) 7.674 24.262 ( 0.000 0.075 -10.287) 10.287 24.262 ( 0.000 0.075 10.287) 10.287 ======================= Grid point 401 (126/144) ======================= q-point: ( 0.14 0.10 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 210 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.328 ( 0.857 5.701 -18.464) 19.343 2.328 ( 0.857 5.701 18.464) 19.343 3.117 ( -2.064 7.885 -9.713) 12.680 3.117 ( -2.064 7.885 9.713) 12.680 3.703 ( 16.551 -2.414 -4.746) 17.386 3.703 ( 16.551 -2.414 4.746) 17.386 4.281 ( -0.303 8.252 -5.748) 10.061 4.281 ( -0.303 8.252 5.748) 10.061 4.551 ( 5.157 -1.133 -14.345) 15.286 4.551 ( 5.157 -1.133 14.345) 15.286 5.230 ( -0.951 -3.359 -5.142) 6.215 5.230 ( -0.951 -3.359 5.142) 6.215 6.395 ( 5.499 -9.408 -12.976) 16.945 6.395 ( 5.499 -9.408 12.976) 16.945 6.726 ( 2.535 -2.306 -6.403) 7.262 6.726 ( 2.535 -2.306 6.403) 7.262 8.710 ( -17.576 -0.559 -2.511) 17.763 8.710 ( -17.576 -0.559 2.511) 17.763 9.499 ( -5.467 -3.664 -2.244) 6.953 9.499 ( -5.467 -3.664 2.244) 6.953 10.010 ( 13.632 -4.911 -3.317) 14.864 10.010 ( 13.632 -4.911 3.317) 14.864 10.916 ( -2.348 -4.843 -6.165) 8.184 10.916 ( -2.348 -4.843 6.165) 8.184 11.376 ( -5.625 1.295 -7.350) 9.346 11.376 ( -5.625 1.295 7.350) 9.346 11.741 ( 0.165 -6.096 -2.163) 6.471 11.741 ( 0.165 -6.096 2.163) 6.471 13.002 ( -1.507 1.003 -6.424) 6.674 13.002 ( -1.507 1.003 6.424) 6.674 13.262 ( -5.010 6.193 -1.599) 8.125 13.262 ( -5.010 6.193 1.599) 8.125 13.562 ( 5.529 9.971 -2.301) 11.632 13.562 ( 5.529 9.971 2.301) 11.632 14.158 ( -5.136 3.742 -2.684) 6.898 14.158 ( -5.136 3.742 2.684) 6.898 15.133 ( 6.716 1.004 -5.733) 8.887 15.133 ( 6.716 1.004 5.733) 8.887 15.685 ( -0.196 -2.001 -11.548) 11.721 15.685 ( -0.196 -2.001 11.548) 11.721 22.633 ( -0.246 4.208 -2.028) 4.677 22.633 ( -0.246 4.208 2.028) 4.677 23.586 ( -4.185 -1.201 -0.599) 4.395 23.586 ( -4.185 -1.201 0.599) 4.395 23.749 ( -0.401 0.624 -5.640) 5.689 23.749 ( -0.401 0.624 5.640) 5.689 24.323 ( 5.075 -1.178 -8.719) 10.157 24.323 ( 5.075 -1.178 8.719) 10.157 ======================= Grid point 403 (127/144) ======================= q-point: ( 0.29 0.10 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 210 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.374 ( 3.338 -2.045 -13.595) 14.148 2.374 ( 3.338 -2.045 13.595) 14.148 3.107 ( 0.693 11.591 -6.406) 13.262 3.107 ( 0.693 11.591 6.406) 13.262 3.919 ( 3.884 -1.888 -5.073) 6.662 3.919 ( 3.884 -1.888 5.073) 6.662 4.283 ( -0.839 4.282 -7.002) 8.251 4.283 ( -0.839 4.282 7.002) 8.251 4.713 ( 7.381 -2.528 -8.398) 11.463 4.713 ( 7.381 -2.528 8.398) 11.463 5.340 ( 15.552 0.856 -6.985) 17.070 5.340 ( 15.552 0.856 6.985) 17.070 6.499 ( 4.292 -11.977 -7.998) 15.027 6.499 ( 4.292 -11.977 7.998) 15.027 6.814 ( 5.468 1.806 -9.267) 10.910 6.814 ( 5.468 1.806 9.267) 10.910 8.201 ( -29.906 -0.624 -2.700) 30.034 8.201 ( -29.906 -0.624 2.700) 30.034 9.518 ( 6.409 -2.317 -4.665) 8.258 9.518 ( 6.409 -2.317 4.665) 8.258 10.262 ( 9.981 -7.120 -3.959) 12.884 10.262 ( 9.981 -7.120 3.959) 12.884 10.789 ( -8.876 -1.442 -7.037) 11.418 10.789 ( -8.876 -1.442 7.037) 11.418 11.242 ( -7.782 -0.897 -4.341) 8.956 11.242 ( -7.782 -0.897 4.341) 8.956 11.749 ( 1.039 -4.013 -1.167) 4.307 11.749 ( 1.039 -4.013 1.167) 4.307 12.948 ( -2.952 -2.864 -2.725) 4.934 12.948 ( -2.952 -2.864 2.725) 4.934 13.234 ( 1.380 4.531 -1.606) 5.001 13.234 ( 1.380 4.531 1.606) 5.001 13.633 ( 1.642 10.830 -2.454) 11.225 13.633 ( 1.642 10.830 2.454) 11.225 14.046 ( -5.157 7.390 -2.253) 9.289 14.046 ( -5.157 7.390 2.253) 9.289 15.279 ( 6.506 -1.790 -6.396) 9.297 15.279 ( 6.506 -1.790 6.396) 9.297 15.683 ( 0.065 -1.036 -10.248) 10.301 15.683 ( 0.065 -1.036 10.248) 10.301 22.628 ( -0.267 4.192 -1.384) 4.422 22.628 ( -0.267 4.192 1.384) 4.422 23.489 ( -4.510 0.633 -0.968) 4.656 23.489 ( -4.510 0.633 0.968) 4.656 23.750 ( 0.367 0.832 -3.398) 3.517 23.750 ( 0.367 0.832 3.398) 3.517 24.429 ( 4.672 -2.787 -5.841) 7.982 24.429 ( 4.672 -2.787 5.841) 7.982 ======================= Grid point 405 (128/144) ======================= q-point: ( 0.43 0.10 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 210 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.435 ( 1.964 -7.083 -5.278) 9.049 2.435 ( 1.964 -7.083 5.278) 9.049 3.126 ( 0.729 13.959 -2.725) 14.242 3.126 ( 0.729 13.959 2.725) 14.242 3.951 ( 0.651 -0.008 -2.321) 2.410 3.951 ( 0.651 -0.008 2.321) 2.410 4.239 ( -2.304 1.109 -3.712) 4.508 4.239 ( -2.304 1.109 3.712) 4.508 4.776 ( 0.503 -3.782 -6.024) 7.130 4.776 ( 0.503 -3.782 6.024) 7.130 5.760 ( 16.950 -0.495 -8.931) 19.165 5.760 ( 16.950 -0.495 8.931) 19.165 6.599 ( 6.110 -6.703 -4.953) 10.334 6.599 ( 6.110 -6.703 4.953) 10.334 6.891 ( 0.638 3.543 -7.148) 8.003 6.891 ( 0.638 3.543 7.148) 8.003 7.625 ( -20.981 -3.636 -1.441) 21.342 7.625 ( -20.981 -3.636 1.441) 21.342 9.699 ( 8.506 -1.027 -4.518) 9.686 9.699 ( 8.506 -1.027 4.518) 9.686 10.307 ( -5.329 -7.809 -3.801) 10.190 10.307 ( -5.329 -7.809 3.801) 10.190 10.720 ( 3.789 1.086 -1.958) 4.401 10.720 ( 3.789 1.086 1.958) 4.401 11.063 ( -8.079 -2.503 -1.948) 8.679 11.063 ( -8.079 -2.503 1.948) 8.679 11.777 ( 1.091 -3.544 -1.283) 3.924 11.777 ( 1.091 -3.544 1.283) 3.924 12.907 ( -0.991 -4.916 -0.687) 5.062 12.907 ( -0.991 -4.916 0.687) 5.062 13.271 ( 1.429 2.259 -1.322) 2.982 13.271 ( 1.429 2.259 1.322) 2.982 13.645 ( -0.051 11.180 -2.570) 11.472 13.645 ( -0.051 11.180 2.570) 11.472 13.968 ( -2.113 10.403 -1.291) 10.694 13.968 ( -2.113 10.403 1.291) 10.694 15.373 ( 2.427 -3.856 -4.108) 6.135 15.373 ( 2.427 -3.856 4.108) 6.135 15.686 ( 0.183 0.082 -6.239) 6.242 15.686 ( 0.183 0.082 6.239) 6.242 22.624 ( -0.104 4.189 -0.497) 4.220 22.624 ( -0.104 4.189 0.497) 4.220 23.422 ( -1.779 1.811 -0.435) 2.575 23.422 ( -1.779 1.811 0.435) 2.575 23.757 ( 0.234 0.782 -2.159) 2.308 23.757 ( 0.234 0.782 2.159) 2.308 24.497 ( 1.751 -3.578 -2.329) 4.615 24.497 ( 1.751 -3.578 2.329) 4.615 ======================= Grid point 413 (129/144) ======================= q-point: ( 0.00 0.20 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.554 ( 0.000 11.690 -16.449) 20.179 2.554 ( 0.000 11.690 16.449) 20.179 3.305 ( 0.000 8.257 -14.798) 16.945 3.305 ( 0.000 8.257 14.798) 16.945 3.476 ( 0.000 3.086 -7.053) 7.698 3.476 ( 0.000 3.086 7.053) 7.698 4.453 ( 0.000 -3.603 -13.308) 13.787 4.453 ( 0.000 -3.603 13.308) 13.787 4.484 ( 0.000 9.443 -8.974) 13.027 4.484 ( 0.000 9.443 8.974) 13.027 5.164 ( 0.000 -3.407 -6.117) 7.002 5.164 ( 0.000 -3.407 6.117) 7.002 6.131 ( 0.000 -11.921 -17.147) 20.883 6.131 ( 0.000 -11.921 17.147) 20.883 6.595 ( 0.000 -6.544 -7.590) 10.022 6.595 ( 0.000 -6.544 7.590) 10.022 8.835 ( 0.000 -3.202 -1.620) 3.588 8.835 ( 0.000 -3.202 1.620) 3.588 9.534 ( 0.000 -9.328 -7.480) 11.957 9.534 ( 0.000 -9.328 7.480) 11.957 9.735 ( 0.000 -0.015 -5.356) 5.356 9.735 ( 0.000 -0.015 5.356) 5.356 10.755 ( 0.000 -11.967 -6.811) 13.770 10.755 ( 0.000 -11.967 6.811) 13.770 11.498 ( 0.000 2.457 -6.607) 7.049 11.498 ( 0.000 2.457 6.607) 7.049 11.589 ( 0.000 -6.062 -2.790) 6.674 11.589 ( 0.000 -6.062 2.790) 6.674 13.087 ( 0.000 4.466 -9.543) 10.537 13.087 ( 0.000 4.466 9.543) 10.537 13.453 ( 0.000 2.249 -5.124) 5.596 13.453 ( 0.000 2.249 5.124) 5.596 13.717 ( 0.000 14.148 -6.028) 15.379 13.717 ( 0.000 14.148 6.028) 15.379 14.295 ( 0.000 7.036 -6.452) 9.546 14.295 ( 0.000 7.036 6.452) 9.546 15.124 ( 0.000 4.336 -4.629) 6.343 15.124 ( 0.000 4.336 4.629) 6.343 15.628 ( 0.000 -3.653 -10.941) 11.535 15.628 ( 0.000 -3.653 10.941) 11.535 22.740 ( 0.000 5.963 -2.272) 6.381 22.740 ( 0.000 5.963 2.272) 6.381 23.589 ( 0.000 -2.210 -1.188) 2.509 23.589 ( 0.000 -2.210 1.188) 2.509 23.755 ( 0.000 -0.310 -7.138) 7.145 23.755 ( 0.000 -0.310 7.138) 7.145 24.263 ( 0.000 0.080 -10.229) 10.229 24.263 ( 0.000 0.080 10.229) 10.229 ======================= Grid point 415 (130/144) ======================= q-point: ( 0.14 0.20 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 210 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.473 ( -5.469 8.912 -15.906) 19.035 2.473 ( -5.469 8.912 15.906) 19.035 3.315 ( 1.351 11.502 -9.726) 15.124 3.315 ( 1.351 11.502 9.726) 15.124 3.674 ( 14.065 -0.375 -7.226) 15.817 3.674 ( 14.065 -0.375 7.226) 15.817 4.405 ( -2.098 0.871 -9.233) 9.508 4.405 ( -2.098 0.871 9.233) 9.508 4.568 ( 6.018 5.486 -5.299) 9.716 4.568 ( 6.018 5.486 5.299) 9.716 5.166 ( 2.007 -2.268 -6.456) 7.131 5.166 ( 2.007 -2.268 6.456) 7.131 6.162 ( 2.537 -13.794 -12.942) 19.085 6.162 ( 2.537 -13.794 12.942) 19.085 6.652 ( 5.559 -5.142 -8.348) 11.270 6.652 ( 5.559 -5.142 8.348) 11.270 8.691 ( -16.204 -1.393 -2.198) 16.411 8.691 ( -16.204 -1.393 2.198) 16.411 9.400 ( -3.867 -6.364 -4.335) 8.617 9.400 ( -3.867 -6.364 4.335) 8.617 9.905 ( 10.372 -5.068 -3.212) 11.983 9.905 ( 10.372 -5.068 3.212) 11.983 10.767 ( 0.088 -10.397 -6.459) 12.240 10.767 ( 0.088 -10.397 6.459) 12.240 11.405 ( -6.822 1.506 -6.003) 9.210 11.405 ( -6.822 1.506 6.003) 9.210 11.632 ( 2.175 -4.411 -2.491) 5.513 11.632 ( 2.175 -4.411 2.491) 5.513 13.032 ( -5.789 2.030 -7.644) 9.801 13.032 ( -5.789 2.030 7.644) 9.801 13.347 ( -5.030 2.828 -3.231) 6.613 13.347 ( -5.030 2.828 3.231) 6.613 13.832 ( 6.765 15.168 -3.712) 17.018 13.832 ( 6.765 15.168 3.712) 17.018 14.268 ( -2.188 8.199 -5.767) 10.260 14.268 ( -2.188 8.199 5.767) 10.260 15.159 ( 3.082 1.581 -4.827) 5.941 15.159 ( 3.082 1.581 4.827) 5.941 15.636 ( 0.809 -2.853 -10.736) 11.138 15.636 ( 0.809 -2.853 10.736) 11.138 22.737 ( -0.219 6.024 -2.014) 6.356 22.737 ( -0.219 6.024 2.014) 6.356 23.560 ( -2.510 -1.314 -0.595) 2.895 23.560 ( -2.510 -1.314 0.595) 2.895 23.763 ( 0.646 0.717 -6.124) 6.200 23.763 ( 0.646 0.717 6.124) 6.200 24.295 ( 2.755 -1.620 -9.189) 9.729 24.295 ( 2.755 -1.620 9.189) 9.729 ======================= Grid point 417 (131/144) ======================= q-point: ( 0.29 0.20 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 210 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.392 ( -2.207 4.593 -12.748) 13.729 2.392 ( -2.207 4.593 12.748) 13.729 3.357 ( 2.545 12.943 -6.997) 14.931 3.357 ( 2.545 12.943 6.997) 14.931 3.869 ( 4.191 -3.096 -5.690) 7.715 3.869 ( 4.191 -3.096 5.690) 7.715 4.365 ( -2.456 2.816 -10.420) 11.069 4.365 ( -2.456 2.816 10.420) 11.069 4.687 ( 3.651 1.475 -7.126) 8.142 4.687 ( 3.651 1.475 7.126) 8.142 5.363 ( 18.332 1.305 -9.339) 20.615 5.363 ( 18.332 1.305 9.339) 20.615 6.233 ( 5.488 -15.131 -6.868) 17.499 6.233 ( 5.488 -15.131 6.868) 17.499 6.799 ( 7.789 -3.162 -9.813) 12.922 6.799 ( 7.789 -3.162 9.813) 12.922 8.179 ( -31.523 -1.720 -2.553) 31.673 8.179 ( -31.523 -1.720 2.553) 31.673 9.464 ( 8.655 -3.057 -4.652) 10.290 9.464 ( 8.655 -3.057 4.652) 10.290 10.096 ( 7.377 -8.999 -4.634) 12.525 10.096 ( 7.377 -8.999 4.634) 12.525 10.729 ( -3.236 -4.946 -5.063) 7.783 10.729 ( -3.236 -4.946 5.063) 7.783 11.233 ( -10.307 0.024 -4.106) 11.094 11.233 ( -10.307 0.024 4.106) 11.094 11.670 ( 1.833 -3.673 -1.968) 4.552 11.670 ( 1.833 -3.673 1.968) 4.552 12.890 ( -6.451 -2.850 -3.121) 7.713 12.890 ( -6.451 -2.850 3.121) 7.713 13.304 ( -0.132 2.740 -1.391) 3.076 13.304 ( -0.132 2.740 1.391) 3.076 13.925 ( 2.236 17.307 -3.284) 17.758 13.925 ( 2.236 17.307 3.284) 17.758 14.225 ( -1.707 10.810 -3.983) 11.646 14.225 ( -1.707 10.810 3.983) 11.646 15.226 ( 2.978 -3.535 -4.886) 6.726 15.226 ( 2.978 -3.535 4.886) 6.726 15.661 ( 1.548 -1.078 -9.654) 9.837 15.661 ( 1.548 -1.078 9.654) 9.837 22.732 ( -0.209 6.186 -1.367) 6.339 22.732 ( -0.209 6.186 1.367) 6.339 23.504 ( -2.579 0.786 -0.439) 2.732 23.504 ( -2.579 0.786 0.439) 2.732 23.776 ( 0.610 1.867 -4.792) 5.179 23.776 ( 0.610 1.867 4.792) 5.179 24.358 ( 2.976 -4.395 -6.550) 8.430 24.358 ( 2.976 -4.395 6.550) 8.430 ======================= Grid point 419 (132/144) ======================= q-point: ( 0.43 0.20 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 210 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.372 ( -0.231 1.456 -5.402) 5.599 2.372 ( -0.231 1.456 5.402) 5.599 3.402 ( 1.367 13.424 -3.170) 13.861 3.402 ( 1.367 13.424 3.170) 13.861 3.903 ( 0.495 -4.645 -2.135) 5.136 3.903 ( 0.495 -4.645 2.135) 5.136 4.308 ( -2.248 5.677 -5.270) 8.066 4.308 ( -2.248 5.677 5.270) 8.066 4.716 ( 0.249 -1.425 -4.273) 4.511 4.716 ( 0.249 -1.425 4.273) 4.511 5.716 ( 10.007 -4.476 -11.137) 15.627 5.716 ( 10.007 -4.476 11.137) 15.627 6.465 ( 16.313 -7.063 -3.213) 18.065 6.465 ( 16.313 -7.063 3.213) 18.065 6.925 ( 3.736 -0.424 -8.070) 8.903 6.925 ( 3.736 -0.424 8.070) 8.903 7.527 ( -27.161 -6.136 -1.343) 27.878 7.527 ( -27.161 -6.136 1.343) 27.878 9.672 ( 8.842 -1.822 -4.493) 10.085 9.672 ( 8.842 -1.822 4.493) 10.085 10.151 ( -1.846 -6.978 -3.759) 8.138 10.151 ( -1.846 -6.978 3.759) 8.138 10.715 ( 2.940 -1.901 -0.483) 3.535 10.715 ( 2.940 -1.901 0.483) 3.535 11.008 ( -9.685 -2.918 -2.457) 10.409 11.008 ( -9.685 -2.918 2.457) 10.409 11.704 ( 1.125 -3.477 -2.453) 4.401 11.704 ( 1.125 -3.477 2.453) 4.401 12.802 ( -2.062 -5.436 -1.069) 5.911 12.802 ( -2.062 -5.436 1.069) 5.911 13.310 ( 0.295 1.872 -0.959) 2.124 13.310 ( 0.295 1.872 0.959) 2.124 13.943 ( 0.124 17.801 -3.570) 18.156 13.943 ( 0.124 17.801 3.570) 18.156 14.202 ( -0.550 13.158 -1.435) 13.248 14.202 ( -0.550 13.158 1.435) 13.248 15.269 ( 1.100 -6.602 -4.355) 7.986 15.269 ( 1.100 -6.602 4.355) 7.986 15.689 ( 0.849 0.083 -7.988) 8.034 15.689 ( 0.849 0.083 7.988) 8.034 22.729 ( -0.070 6.337 -0.631) 6.369 22.729 ( -0.070 6.337 0.631) 6.369 23.465 ( -1.040 2.343 -0.249) 2.576 23.465 ( -1.040 2.343 0.249) 2.576 23.785 ( 0.250 2.245 -4.061) 4.647 23.785 ( 0.250 2.245 4.061) 4.647 24.402 ( 1.203 -5.969 -3.274) 6.914 24.402 ( 1.203 -5.969 3.274) 6.914 ======================= Grid point 427 (133/144) ======================= q-point: ( 0.00 0.30 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.745 ( 0.000 8.154 -12.549) 14.965 2.745 ( 0.000 8.154 12.549) 14.965 3.465 ( 0.000 7.722 -12.114) 14.366 3.465 ( 0.000 7.722 12.114) 14.366 3.555 ( 0.000 3.693 -10.562) 11.189 3.555 ( 0.000 3.693 10.562) 11.189 4.368 ( 0.000 -5.021 -8.762) 10.099 4.368 ( 0.000 -5.021 8.762) 10.099 4.605 ( 0.000 2.843 -6.446) 7.046 4.605 ( 0.000 2.843 6.446) 7.046 5.183 ( 0.000 5.792 -3.919) 6.993 5.183 ( 0.000 5.792 3.919) 6.993 5.902 ( 0.000 -10.902 -14.976) 18.524 5.902 ( 0.000 -10.902 14.976) 18.524 6.469 ( 0.000 -6.004 -8.637) 10.519 6.469 ( 0.000 -6.004 8.637) 10.519 8.762 ( 0.000 -4.186 -1.045) 4.315 8.762 ( 0.000 -4.186 1.045) 4.315 9.374 ( 0.000 -6.766 -5.862) 8.952 9.374 ( 0.000 -6.766 5.862) 8.952 9.740 ( 0.000 0.616 -5.510) 5.544 9.740 ( 0.000 0.616 5.510) 5.544 10.490 ( 0.000 -14.602 -7.661) 16.490 10.490 ( 0.000 -14.602 7.661) 16.490 11.510 ( 0.000 -2.409 -2.643) 3.576 11.510 ( 0.000 -2.409 2.643) 3.576 11.533 ( 0.000 1.269 -5.002) 5.160 11.533 ( 0.000 1.269 5.002) 5.160 13.171 ( 0.000 3.973 -8.846) 9.698 13.171 ( 0.000 3.973 8.846) 9.698 13.497 ( 0.000 2.140 -6.661) 6.997 13.497 ( 0.000 2.140 6.661) 6.997 13.887 ( 0.000 3.725 -4.155) 5.580 13.887 ( 0.000 3.725 4.155) 5.580 14.516 ( 0.000 14.948 -10.293) 18.149 14.516 ( 0.000 14.948 10.293) 18.149 15.211 ( 0.000 4.435 -4.302) 6.179 15.211 ( 0.000 4.435 4.302) 6.179 15.549 ( 0.000 -4.525 -9.905) 10.890 15.549 ( 0.000 -4.525 9.905) 10.890 22.846 ( 0.000 4.625 -1.868) 4.988 22.846 ( 0.000 4.625 1.868) 4.988 23.556 ( 0.000 -1.003 -1.316) 1.655 23.556 ( 0.000 -1.003 1.316) 1.655 23.748 ( 0.000 -0.321 -6.425) 6.433 23.748 ( 0.000 -0.321 6.425) 6.433 24.265 ( 0.000 0.077 -9.341) 9.341 24.265 ( 0.000 0.077 9.341) 9.341 ======================= Grid point 429 (134/144) ======================= q-point: ( 0.14 0.30 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 210 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.656 ( -6.311 9.788 -12.688) 17.223 2.656 ( -6.311 9.788 12.688) 17.223 3.490 ( 1.586 4.171 -6.791) 8.125 3.490 ( 1.586 4.171 6.791) 8.125 3.706 ( 11.024 4.752 -5.690) 13.285 3.706 ( 11.024 4.752 5.690) 13.285 4.347 ( -0.693 -4.542 -8.538) 9.695 4.347 ( -0.693 -4.542 8.538) 9.695 4.703 ( 8.029 5.824 -2.211) 10.162 4.703 ( 8.029 5.824 2.211) 10.162 5.175 ( 1.383 3.543 -4.369) 5.793 5.175 ( 1.383 3.543 4.369) 5.793 5.899 ( -0.249 -12.636 -11.355) 16.990 5.899 ( -0.249 -12.636 11.355) 16.990 6.543 ( 6.746 -5.666 -8.825) 12.470 6.543 ( 6.746 -5.666 8.825) 12.470 8.657 ( -14.651 -2.071 -1.561) 14.879 8.657 ( -14.651 -2.071 1.561) 14.879 9.269 ( -1.773 -6.687 -5.142) 8.619 9.269 ( -1.773 -6.687 5.142) 8.619 9.834 ( 6.099 -2.130 -3.964) 7.579 9.834 ( 6.099 -2.130 3.964) 7.579 10.541 ( 3.905 -12.203 -6.458) 14.348 10.541 ( 3.905 -12.203 6.458) 14.348 11.427 ( -6.169 0.741 -3.637) 7.199 11.427 ( -6.169 0.741 3.637) 7.199 11.576 ( 1.997 -1.594 -3.316) 4.187 11.576 ( 1.997 -1.594 3.316) 4.187 13.075 ( -9.988 2.225 -6.674) 12.217 13.075 ( -9.988 2.225 6.674) 12.217 13.385 ( -4.743 1.323 -3.718) 6.170 13.385 ( -4.743 1.323 3.718) 6.170 14.047 ( 10.379 6.433 -1.314) 12.282 14.047 ( 10.379 6.433 1.314) 12.282 14.498 ( -1.504 14.988 -9.399) 17.756 14.498 ( -1.504 14.988 9.399) 17.756 15.190 ( -1.812 1.466 -3.455) 4.168 15.190 ( -1.812 1.466 3.455) 4.168 15.579 ( 2.612 -3.070 -9.508) 10.327 15.579 ( 2.612 -3.070 9.508) 10.327 22.846 ( 0.076 4.910 -1.646) 5.179 22.846 ( 0.076 4.910 1.646) 5.179 23.541 ( -1.238 -0.559 -0.695) 1.526 23.541 ( -1.238 -0.559 0.695) 1.526 23.775 ( 2.182 0.521 -6.222) 6.614 23.775 ( 2.182 0.521 6.222) 6.614 24.266 ( 0.152 -1.229 -9.021) 9.106 24.266 ( 0.152 -1.229 9.021) 9.106 ======================= Grid point 431 (135/144) ======================= q-point: ( 0.29 0.30 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 210 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.548 ( -3.904 11.008 -10.611) 15.780 2.548 ( -3.904 11.008 10.611) 15.780 3.529 ( 2.126 2.184 -5.939) 6.675 3.529 ( 2.126 2.184 5.939) 6.675 3.850 ( 2.519 3.538 -4.213) 6.051 3.850 ( 2.519 3.538 4.213) 6.051 4.366 ( 2.053 -2.060 -10.838) 11.222 4.366 ( 2.053 -2.060 10.838) 11.222 4.796 ( -0.659 8.760 -2.949) 9.266 4.796 ( -0.659 8.760 2.949) 9.266 5.379 ( 17.329 0.200 -8.736) 19.407 5.379 ( 17.329 0.200 8.736) 19.407 5.938 ( 7.306 -14.749 -5.915) 17.490 5.938 ( 7.306 -14.749 5.915) 17.490 6.708 ( 8.381 -5.735 -8.896) 13.501 6.708 ( 8.381 -5.735 8.896) 13.501 8.134 ( -33.374 -2.874 -1.777) 33.545 8.134 ( -33.374 -2.874 1.777) 33.545 9.405 ( 11.931 -2.994 -4.016) 12.940 9.405 ( 11.931 -2.994 4.016) 12.940 9.953 ( 5.789 -5.140 -4.736) 9.075 9.953 ( 5.789 -5.140 4.736) 9.075 10.608 ( 2.391 -7.064 -4.375) 8.646 10.608 ( 2.391 -7.064 4.375) 8.646 11.239 ( -12.600 0.457 -3.206) 13.009 11.239 ( -12.600 0.457 3.206) 13.009 11.617 ( 2.107 -1.772 -2.369) 3.632 11.617 ( 2.107 -1.772 2.369) 3.632 12.845 ( -10.054 -1.764 -2.627) 10.540 12.845 ( -10.054 -1.764 2.627) 10.540 13.345 ( -0.393 1.601 -1.751) 2.405 13.345 ( -0.393 1.601 1.751) 2.405 14.210 ( 4.960 10.791 -1.228) 11.940 14.210 ( 4.960 10.791 1.228) 11.940 14.471 ( -0.751 14.563 -7.371) 16.339 14.471 ( -0.751 14.563 7.371) 16.339 15.152 ( -1.516 -3.697 -3.097) 5.055 15.152 ( -1.516 -3.697 3.097) 5.055 15.640 ( 2.937 -1.301 -8.838) 9.403 15.640 ( 2.937 -1.301 8.838) 9.403 22.849 ( 0.177 5.547 -1.199) 5.678 22.849 ( 0.177 5.547 1.199) 5.678 23.516 ( -1.044 0.416 -0.204) 1.142 23.516 ( -1.044 0.416 0.204) 1.142 23.820 ( 1.912 2.474 -6.074) 6.832 23.820 ( 1.912 2.474 6.074) 6.832 24.272 ( 0.377 -4.199 -7.493) 8.598 24.272 ( 0.377 -4.199 7.493) 8.598 ======================= Grid point 433 (136/144) ======================= q-point: ( 0.43 0.30 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 210 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.497 ( -1.178 11.023 -4.938) 12.136 2.497 ( -1.178 11.023 4.938) 12.136 3.566 ( 1.108 0.560 -3.478) 3.693 3.566 ( 1.108 0.560 3.478) 3.693 3.860 ( -0.284 3.487 -1.542) 3.823 3.860 ( -0.284 3.487 1.542) 3.823 4.401 ( 0.961 2.572 -10.657) 11.005 4.401 ( 0.961 2.572 10.657) 11.005 4.752 ( -1.859 5.439 -4.536) 7.322 4.752 ( -1.859 5.439 4.536) 7.322 5.594 ( 2.981 -7.482 -8.767) 11.905 5.594 ( 2.981 -7.482 8.767) 11.905 6.327 ( 24.461 -7.129 -1.931) 25.552 6.327 ( 24.461 -7.129 1.931) 25.552 6.868 ( 8.767 -5.295 -7.136) 12.483 6.868 ( 8.767 -5.295 7.136) 12.483 7.408 ( -34.207 -5.627 -1.240) 34.689 7.408 ( -34.207 -5.627 1.240) 34.689 9.624 ( 6.728 -3.085 -3.203) 8.064 9.624 ( 6.728 -3.085 3.203) 8.064 10.076 ( 5.339 -0.487 -2.926) 6.108 10.076 ( 5.339 -0.487 2.926) 6.108 10.650 ( 2.173 -4.493 -2.513) 5.588 10.650 ( 2.173 -4.493 2.513) 5.588 10.957 ( -11.874 -2.269 -2.578) 12.360 10.957 ( -11.874 -2.269 2.578) 12.360 11.654 ( 1.128 -1.695 -2.607) 3.308 11.654 ( 1.128 -1.695 2.607) 3.308 12.708 ( -3.223 -4.110 -1.105) 5.339 12.708 ( -3.223 -4.110 1.105) 5.339 13.344 ( 0.035 1.556 -0.839) 1.769 13.344 ( 0.035 1.556 0.839) 1.769 14.258 ( 0.568 13.519 -0.366) 13.535 14.258 ( 0.568 13.519 0.366) 13.535 14.469 ( 0.231 14.308 -4.951) 15.142 14.469 ( 0.231 14.308 4.951) 15.142 15.134 ( -0.363 -6.897 -3.854) 7.909 15.134 ( -0.363 -6.897 3.854) 7.909 15.684 ( 1.216 -0.654 -8.310) 8.424 15.684 ( 1.216 -0.654 8.310) 8.424 22.852 ( 0.107 6.056 -0.895) 6.123 22.852 ( 0.107 6.056 0.895) 6.123 23.501 ( -0.388 1.193 -0.172) 1.266 23.501 ( -0.388 1.193 0.172) 1.266 23.846 ( 0.665 3.990 -5.719) 7.005 23.846 ( 0.665 3.990 5.719) 7.005 24.279 ( 0.235 -6.522 -4.747) 8.070 24.279 ( 0.235 -6.522 4.747) 8.070 ======================= Grid point 441 (137/144) ======================= q-point: ( 0.00 0.40 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.874 ( 0.000 5.157 -6.680) 8.439 2.874 ( 0.000 5.157 6.680) 8.439 3.582 ( 0.000 4.121 -7.893) 8.904 3.582 ( 0.000 4.121 7.893) 8.904 3.582 ( 0.000 -0.682 -8.024) 8.053 3.582 ( 0.000 -0.682 8.024) 8.053 4.278 ( 0.000 -3.726 -3.852) 5.359 4.278 ( 0.000 -3.726 3.852) 5.359 4.633 ( 0.000 0.988 -2.770) 2.941 4.633 ( 0.000 0.988 2.770) 2.941 5.327 ( 0.000 7.050 -1.137) 7.141 5.327 ( 0.000 7.050 1.137) 7.141 5.736 ( 0.000 -5.948 -9.772) 11.440 5.736 ( 0.000 -5.948 9.772) 11.440 6.378 ( 0.000 -3.152 -8.579) 9.140 6.378 ( 0.000 -3.152 8.579) 9.140 8.687 ( 0.000 -3.140 -1.404) 3.440 8.687 ( 0.000 -3.140 1.404) 3.440 9.279 ( 0.000 -3.135 -3.601) 4.774 9.279 ( 0.000 -3.135 3.601) 4.774 9.762 ( 0.000 1.534 -5.363) 5.578 9.762 ( 0.000 1.534 5.363) 5.578 10.233 ( 0.000 -10.862 -6.534) 12.676 10.233 ( 0.000 -10.862 6.534) 12.676 11.482 ( 0.000 -0.734 -2.220) 2.339 11.482 ( 0.000 -0.734 2.220) 2.339 11.549 ( 0.000 0.442 -3.920) 3.945 11.549 ( 0.000 0.442 3.920) 3.945 13.232 ( 0.000 2.209 -5.598) 6.018 13.232 ( 0.000 2.209 5.598) 6.018 13.531 ( 0.000 1.275 -6.674) 6.795 13.531 ( 0.000 1.275 6.674) 6.795 13.911 ( 0.000 -0.126 -2.024) 2.028 13.911 ( 0.000 -0.126 2.024) 2.028 14.800 ( 0.000 12.807 -11.929) 17.502 14.800 ( 0.000 12.807 11.929) 17.502 15.283 ( 0.000 2.778 -4.120) 4.969 15.283 ( 0.000 2.778 4.120) 4.969 15.455 ( 0.000 -5.009 -7.690) 9.178 15.455 ( 0.000 -5.009 7.690) 9.178 22.910 ( 0.000 2.032 -1.150) 2.335 22.910 ( 0.000 2.032 1.150) 2.335 23.550 ( 0.000 0.136 -1.238) 1.246 23.550 ( 0.000 0.136 1.238) 1.246 23.743 ( 0.000 -0.204 -5.788) 5.791 23.743 ( 0.000 -0.204 5.788) 5.791 24.266 ( 0.000 0.064 -8.013) 8.014 24.266 ( 0.000 0.064 8.013) 8.014 ======================= Grid point 443 (138/144) ======================= q-point: ( 0.14 0.40 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 210 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.834 ( -2.997 7.990 -7.398) 11.294 2.834 ( -2.997 7.990 7.398) 11.294 3.474 ( -2.105 -3.595 -6.635) 7.835 3.474 ( -2.105 -3.595 6.635) 7.835 3.831 ( 12.451 6.117 -6.727) 15.417 3.831 ( 12.451 6.117 6.727) 15.417 4.263 ( -0.300 -3.850 -5.253) 6.520 4.263 ( -0.300 -3.850 5.253) 6.520 4.767 ( 12.553 1.353 -3.336) 13.059 4.767 ( 12.553 1.353 3.336) 13.059 5.282 ( -2.836 6.281 -2.741) 7.417 5.282 ( -2.836 6.281 2.741) 7.417 5.701 ( -2.963 -7.492 -7.844) 11.244 5.701 ( -2.963 -7.492 7.844) 11.244 6.451 ( 6.450 -3.477 -8.025) 10.867 6.451 ( 6.450 -3.477 8.025) 10.867 8.618 ( -13.596 -1.752 -1.107) 13.753 8.618 ( -13.596 -1.752 1.107) 13.753 9.163 ( -0.829 -3.965 -3.460) 5.327 9.163 ( -0.829 -3.965 3.460) 5.327 9.819 ( 3.390 0.211 -4.099) 5.323 9.819 ( 3.390 0.211 4.099) 5.323 10.331 ( 7.764 -8.676 -5.068) 12.698 10.331 ( 7.764 -8.676 5.068) 12.698 11.435 ( -5.139 0.147 -2.003) 5.518 11.435 ( -5.139 0.147 2.003) 5.518 11.560 ( 1.177 -0.331 -3.807) 3.998 11.560 ( 1.177 -0.331 3.807) 3.998 13.111 ( -12.858 1.395 -4.080) 13.561 13.111 ( -12.858 1.395 4.080) 13.561 13.402 ( -4.534 0.479 -3.678) 5.858 13.402 ( -4.534 0.479 3.678) 5.858 14.115 ( 13.352 1.583 -1.261) 13.505 14.115 ( 13.352 1.583 1.261) 13.505 14.776 ( -2.161 12.071 -10.677) 16.260 14.776 ( -2.161 12.071 10.677) 16.260 15.212 ( -5.396 0.681 -2.178) 5.858 15.212 ( -5.396 0.681 2.178) 5.858 15.518 ( 4.619 -3.011 -6.712) 8.686 15.518 ( 4.619 -3.011 6.712) 8.686 22.917 ( 0.700 2.391 -1.036) 2.698 22.917 ( 0.700 2.391 1.036) 2.698 23.537 ( -0.950 0.076 -0.652) 1.154 23.537 ( -0.950 0.076 0.652) 1.154 23.782 ( 3.409 0.253 -5.779) 6.714 23.782 ( 3.409 0.253 5.779) 6.714 24.249 ( -1.607 -0.536 -8.093) 8.268 24.249 ( -1.607 -0.536 8.093) 8.268 ======================= Grid point 445 (139/144) ======================= q-point: ( 0.29 0.40 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 210 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.780 ( -2.057 11.713 -6.781) 13.689 2.780 ( -2.057 11.713 6.781) 13.689 3.462 ( 0.354 -6.242 -5.570) 8.373 3.462 ( 0.354 -6.242 5.570) 8.373 3.981 ( 2.154 7.257 -5.087) 9.121 3.981 ( 2.154 7.257 5.087) 9.121 4.312 ( 4.815 -3.131 -7.344) 9.323 4.312 ( 4.815 -3.131 7.344) 9.323 4.960 ( -0.261 6.447 -2.615) 6.962 4.960 ( -0.261 6.447 2.615) 6.962 5.384 ( 13.169 1.419 -8.489) 15.733 5.384 ( 13.169 1.419 8.489) 15.733 5.691 ( 8.374 -10.432 -6.664) 14.945 5.691 ( 8.374 -10.432 6.664) 14.945 6.602 ( 7.424 -4.572 -6.608) 10.940 6.602 ( 7.424 -4.572 6.608) 10.940 8.078 ( -34.736 -2.521 -0.847) 34.838 8.078 ( -34.736 -2.521 0.847) 34.838 9.357 ( 14.437 -1.788 -2.261) 14.722 9.357 ( 14.437 -1.788 2.261) 14.722 9.899 ( 5.877 -0.970 -3.769) 7.049 9.899 ( 5.877 -0.970 3.769) 7.049 10.481 ( 5.999 -5.460 -3.751) 8.937 10.481 ( 5.999 -5.460 3.751) 8.937 11.246 ( -13.673 0.229 -2.489) 13.899 11.246 ( -13.673 0.229 2.489) 13.899 11.597 ( 2.185 -0.501 -2.656) 3.476 11.597 ( 2.185 -0.501 2.656) 3.476 12.821 ( -12.637 -0.764 -1.533) 12.752 12.821 ( -12.637 -0.764 1.533) 12.752 13.368 ( -0.278 0.743 -2.018) 2.168 13.368 ( -0.278 0.743 2.018) 2.168 14.349 ( 8.755 4.304 -3.029) 10.215 14.349 ( 8.755 4.304 3.029) 10.215 14.726 ( -2.270 9.973 -8.398) 13.234 14.726 ( -2.270 9.973 8.398) 13.234 15.102 ( -4.778 -1.086 -0.903) 4.983 15.102 ( -4.778 -1.086 0.903) 4.983 15.608 ( 3.787 -1.838 -6.322) 7.595 15.608 ( 3.787 -1.838 6.322) 7.595 22.935 ( 0.938 3.185 -0.869) 3.432 22.935 ( 0.938 3.185 0.869) 3.432 23.520 ( -0.648 0.035 -0.317) 0.722 23.520 ( -0.648 0.035 0.317) 0.722 23.862 ( 4.026 1.722 -6.430) 7.780 23.862 ( 4.026 1.722 6.430) 7.780 24.206 ( -2.418 -2.409 -7.936) 8.638 24.206 ( -2.418 -2.409 7.936) 8.638 ======================= Grid point 447 (140/144) ======================= q-point: ( 0.43 0.40 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 210 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.752 ( -0.682 13.672 -3.615) 14.158 2.752 ( -0.682 13.672 3.615) 14.158 3.472 ( 0.389 -7.103 -3.164) 7.785 3.472 ( 0.389 -7.103 3.164) 7.785 3.987 ( -0.314 6.345 -1.621) 6.556 3.987 ( -0.314 6.345 1.621) 6.556 4.405 ( 3.167 -1.171 -7.071) 7.835 4.405 ( 3.167 -1.171 7.071) 7.835 4.884 ( -3.521 6.412 -4.534) 8.607 4.884 ( -3.521 6.412 4.535) 8.607 5.462 ( -0.610 -5.297 -4.259) 6.825 5.462 ( -0.610 -5.297 4.259) 6.825 6.208 ( 29.053 -4.571 -1.647) 29.457 6.208 ( 29.053 -4.571 1.647) 29.457 6.743 ( 7.761 -6.673 -4.399) 11.141 6.743 ( 7.761 -6.673 4.399) 11.141 7.325 ( -35.469 -2.840 -1.074) 35.599 7.325 ( -35.469 -2.840 1.074) 35.599 9.570 ( 4.696 -2.099 -1.397) 5.330 9.570 ( 4.696 -2.099 1.397) 5.330 10.112 ( 12.745 3.146 -2.360) 13.338 10.112 ( 12.745 3.146 2.360) 13.338 10.557 ( 1.155 -4.644 -3.398) 5.869 10.557 ( 1.155 -4.644 3.398) 5.869 10.923 ( -14.177 -1.235 -2.587) 14.463 10.923 ( -14.177 -1.235 2.587) 14.463 11.634 ( 1.127 -0.485 -1.782) 2.164 11.634 ( 1.127 -0.485 1.782) 2.164 12.648 ( -4.155 -2.148 -0.689) 4.728 12.648 ( -4.155 -2.148 0.689) 4.728 13.367 ( 0.054 0.827 -0.763) 1.127 13.367 ( 0.054 0.827 0.763) 1.127 14.457 ( 2.071 7.433 -2.923) 8.251 14.457 ( 2.071 7.433 2.923) 8.251 14.702 ( -0.143 7.731 -6.534) 10.123 14.702 ( -0.143 7.731 6.534) 10.123 15.032 ( -1.863 -2.651 -2.346) 4.000 15.032 ( -1.863 -2.651 2.346) 4.000 15.663 ( 1.403 -1.439 -6.026) 6.352 15.663 ( 1.403 -1.439 6.026) 6.352 22.951 ( 0.442 3.815 -0.809) 3.925 22.951 ( 0.442 3.815 0.809) 3.925 23.511 ( -0.203 0.034 -0.395) 0.446 23.511 ( -0.203 0.034 0.395) 0.446 23.929 ( 2.051 4.250 -6.664) 8.166 23.929 ( 2.051 4.250 6.664) 8.166 24.162 ( -1.458 -5.284 -6.358) 8.395 24.162 ( -1.458 -5.284 6.358) 8.395 ======================= Grid point 455 (141/144) ======================= q-point: ( 0.00 -0.50 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.929 ( 0.000 0.000 -2.765) 2.765 2.929 ( 0.000 0.000 2.765) 2.765 3.566 ( 0.000 0.000 -5.189) 5.189 3.566 ( 0.000 0.000 5.189) 5.189 3.621 ( 0.000 0.000 -3.982) 3.982 3.621 ( 0.000 0.000 3.982) 3.982 4.240 ( 0.000 0.000 -1.447) 1.447 4.240 ( 0.000 0.000 1.447) 1.447 4.645 ( 0.000 0.000 -0.635) 0.635 4.645 ( 0.000 0.000 0.635) 0.635 5.401 ( 0.000 0.000 -1.668) 1.668 5.401 ( 0.000 0.000 1.668) 1.668 5.679 ( 0.000 0.000 -5.808) 5.808 5.679 ( 0.000 0.000 5.808) 5.808 6.349 ( 0.000 0.000 -8.315) 8.315 6.349 ( 0.000 0.000 8.315) 8.315 8.654 ( 0.000 0.000 -1.498) 1.498 8.654 ( 0.000 0.000 1.498) 1.498 9.249 ( 0.000 0.000 -2.552) 2.552 9.249 ( 0.000 0.000 2.552) 2.552 9.783 ( 0.000 0.000 -4.372) 4.372 9.783 ( 0.000 0.000 4.372) 4.372 10.117 ( 0.000 0.000 -3.483) 3.483 10.117 ( 0.000 0.000 3.483) 3.483 11.476 ( 0.000 0.000 -1.926) 1.926 11.476 ( 0.000 0.000 1.926) 1.926 11.553 ( 0.000 0.000 -3.594) 3.594 11.553 ( 0.000 0.000 3.594) 3.594 13.254 ( 0.000 -0.000 -2.271) 2.271 13.254 ( 0.000 0.000 2.271) 2.271 13.543 ( 0.000 0.000 -6.247) 6.247 13.543 ( 0.000 0.000 6.247) 6.247 13.907 ( 0.000 0.000 -1.280) 1.280 13.907 ( 0.000 0.000 1.280) 1.280 14.942 ( 0.000 0.000 -12.332) 12.332 14.942 ( 0.000 0.000 12.332) 12.332 15.311 ( 0.000 0.000 -4.075) 4.075 15.311 ( 0.000 0.000 4.075) 4.075 15.392 ( 0.000 -0.000 -2.195) 2.195 15.392 ( 0.000 0.000 2.195) 2.195 22.928 ( 0.000 0.000 -0.710) 0.710 22.928 ( 0.000 0.000 0.710) 0.710 23.553 ( 0.000 0.000 -1.140) 1.140 23.553 ( 0.000 0.000 1.140) 1.140 23.741 ( 0.000 0.000 -5.527) 5.527 23.741 ( 0.000 0.000 5.527) 5.527 24.267 ( 0.000 0.000 -7.326) 7.326 24.267 ( 0.000 0.000 7.326) 7.326 ======================= Grid point 459 (142/144) ======================= q-point: ( 0.14 -0.50 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.923 ( -0.364 -0.000 -3.289) 3.309 2.923 ( -0.364 0.000 3.289) 3.309 3.426 ( -4.469 0.000 -7.695) 8.899 3.426 ( -4.469 0.000 7.695) 8.899 3.896 ( 14.737 0.000 -1.697) 14.834 3.896 ( 14.737 0.000 1.697) 14.834 4.220 ( -1.044 0.000 -2.496) 2.706 4.220 ( -1.044 0.000 2.496) 2.706 4.777 ( 12.903 0.000 -1.754) 13.022 4.777 ( 12.903 0.000 1.754) 13.022 5.358 ( -2.976 0.000 -1.013) 3.144 5.358 ( -2.976 -0.000 1.013) 3.144 5.622 ( -4.895 0.000 -5.113) 7.078 5.622 ( -4.895 0.000 5.113) 7.078 6.417 ( 5.969 0.000 -7.283) 9.417 6.417 ( 5.969 0.000 7.283) 9.417 8.599 ( -13.300 0.000 -1.034) 13.340 8.599 ( -13.300 0.000 1.034) 13.340 9.124 ( -0.561 0.000 -1.807) 1.892 9.124 ( -0.561 0.000 1.807) 1.892 9.825 ( 2.286 -0.000 -3.293) 4.009 9.825 ( 2.286 0.000 3.293) 4.009 10.240 ( 9.660 0.000 -3.086) 10.141 10.240 ( 9.660 0.000 3.086) 10.141 11.436 ( -4.786 -0.000 -1.452) 5.002 11.436 ( -4.786 0.000 1.452) 5.002 11.558 ( 0.899 0.000 -3.883) 3.986 11.558 ( 0.899 0.000 3.883) 3.986 13.125 ( -13.879 0.000 -1.635) 13.975 13.125 ( -13.879 0.000 1.635) 13.975 13.406 ( -4.406 0.000 -3.579) 5.676 13.406 ( -4.406 0.000 3.579) 5.676 14.128 ( 14.391 0.000 -1.619) 14.482 14.128 ( 14.391 0.000 1.619) 14.482 14.905 ( -3.383 -0.000 -10.617) 11.143 14.905 ( -3.383 0.000 10.617) 11.143 15.217 ( -5.964 0.000 -2.051) 6.306 15.217 ( -5.964 0.000 2.051) 6.306 15.483 ( 5.574 0.000 -1.216) 5.705 15.483 ( 5.574 0.000 1.216) 5.705 22.940 ( 1.061 0.000 -0.681) 1.261 22.940 ( 1.061 0.000 0.681) 1.261 23.539 ( -1.043 0.000 -0.596) 1.201 23.539 ( -1.043 0.000 0.596) 1.201 23.785 ( 3.840 0.000 -5.462) 6.677 23.785 ( 3.840 0.000 5.462) 6.677 24.244 ( -2.165 0.000 -7.477) 7.784 24.244 ( -2.165 0.000 7.477) 7.784 ======================= Grid point 463 (143/144) ======================= q-point: ( 0.29 -0.50 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.919 ( -0.036 -0.000 -3.321) 3.321 2.919 ( -0.036 -0.000 3.321) 3.321 3.380 ( -0.675 0.000 -7.507) 7.537 3.380 ( -0.675 0.000 7.507) 7.537 4.062 ( 1.026 0.000 -0.108) 1.032 4.062 ( 1.026 -0.000 0.108) 1.032 4.272 ( 6.463 0.000 -1.248) 6.582 4.272 ( 6.463 0.000 1.248) 6.582 5.016 ( 1.990 0.000 -2.529) 3.218 5.016 ( 1.990 0.000 2.529) 3.218 5.434 ( 8.336 0.000 -8.154) 11.661 5.434 ( 8.336 -0.000 8.154) 11.661 5.560 ( 9.922 0.000 -7.791) 12.615 5.560 ( 9.922 0.000 7.791) 12.615 6.554 ( 6.593 0.000 -4.629) 8.055 6.554 ( 6.593 0.000 4.629) 8.055 8.051 ( -35.180 0.000 -0.345) 35.181 8.051 ( -35.180 0.000 0.345) 35.181 9.339 ( 15.247 0.000 -0.468) 15.254 9.339 ( 15.247 0.000 0.468) 15.254 9.894 ( 6.300 -0.000 -2.073) 6.632 9.894 ( 6.300 0.000 2.073) 6.632 10.423 ( 7.187 0.000 -3.034) 7.802 10.423 ( 7.187 0.000 3.034) 7.802 11.248 ( -13.928 0.000 -2.224) 14.105 11.248 ( -13.928 0.000 2.224) 14.105 11.593 ( 2.198 0.000 -2.727) 3.502 11.593 ( 2.198 0.000 2.727) 3.502 12.814 ( -13.560 0.000 -0.437) 13.567 12.814 ( -13.560 0.000 0.437) 13.567 13.375 ( -0.206 0.000 -2.102) 2.112 13.375 ( -0.206 0.000 2.102) 2.112 14.390 ( 10.511 0.000 -3.156) 10.975 14.390 ( 10.511 0.000 3.156) 10.975 14.820 ( -4.346 -0.000 -7.145) 8.363 14.820 ( -4.346 0.000 7.145) 8.363 15.101 ( -4.984 0.000 -0.511) 5.011 15.101 ( -4.984 0.000 0.511) 5.011 15.585 ( 4.169 0.000 -1.322) 4.373 15.585 ( 4.169 0.000 1.322) 4.373 22.967 ( 1.388 0.000 -0.541) 1.489 22.967 ( 1.388 0.000 0.541) 1.489 23.520 ( -0.719 0.000 -0.098) 0.726 23.520 ( -0.719 0.000 0.098) 0.726 23.880 ( 5.151 0.000 -6.094) 7.980 23.880 ( 5.151 0.000 6.094) 7.980 24.183 ( -3.746 0.000 -7.738) 8.597 24.183 ( -3.746 0.000 7.738) 8.597 ======================= Grid point 467 (144/144) ======================= q-point: ( 0.43 -0.50 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.919 ( 0.021 -0.000 -1.444) 1.444 2.919 ( 0.021 0.000 1.444) 1.444 3.378 ( 0.155 0.000 -3.143) 3.147 3.378 ( 0.155 0.000 3.143) 3.147 4.051 ( -0.702 0.000 -0.363) 0.790 4.051 ( -0.702 0.000 0.363) 0.790 4.390 ( 3.690 0.000 -0.546) 3.730 4.390 ( 3.690 0.000 0.546) 3.730 4.951 ( -3.667 0.000 -2.235) 4.295 4.951 ( -3.667 0.000 2.235) 4.295 5.411 ( -1.820 0.000 -0.528) 1.895 5.411 ( -1.820 0.000 0.528) 1.895 6.164 ( 31.490 0.000 -0.091) 31.490 6.164 ( 31.490 0.000 0.091) 31.490 6.666 ( 4.778 0.000 -0.858) 4.854 6.666 ( 4.778 0.000 0.858) 4.854 7.298 ( -34.420 0.000 -0.916) 34.432 7.298 ( -34.420 0.000 0.916) 34.432 9.549 ( 4.160 0.000 -0.208) 4.165 9.549 ( 4.160 0.000 0.208) 4.165 10.152 ( 16.677 -0.000 -0.944) 16.704 10.152 ( 16.677 0.000 0.944) 16.704 10.503 ( -0.393 0.000 -3.288) 3.311 10.503 ( -0.393 0.000 3.288) 3.311 10.911 ( -15.173 0.000 -2.581) 15.391 10.911 ( -15.173 0.000 2.581) 15.391 11.630 ( 1.124 0.000 -0.992) 1.499 11.630 ( 1.124 0.000 0.992) 1.499 12.627 ( -4.513 0.000 -0.073) 4.513 12.627 ( -4.513 0.000 0.073) 4.513 13.375 ( 0.080 0.000 -0.727) 0.731 13.375 ( 0.080 0.000 0.727) 0.731 14.536 ( 3.512 0.000 -2.257) 4.175 14.536 ( 3.512 0.000 2.257) 4.175 14.756 ( -1.496 -0.000 -3.110) 3.451 14.756 ( -1.496 0.000 3.110) 3.451 15.025 ( -2.162 0.000 -0.146) 2.167 15.025 ( -2.162 0.000 0.146) 2.167 15.644 ( 1.506 0.000 -0.577) 1.613 15.644 ( 1.506 0.000 0.577) 1.613 22.989 ( 0.644 0.000 -0.215) 0.679 22.989 ( 0.644 0.000 0.215) 0.679 23.510 ( -0.232 0.000 -0.018) 0.233 23.510 ( -0.232 0.000 0.018) 0.233 23.984 ( 4.755 -0.000 -6.507) 8.059 23.984 ( 4.755 0.000 6.507) 8.059 24.098 ( -4.258 0.000 -7.126) 8.301 24.098 ( -4.258 -0.000 7.126) 8.301 =================== 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 3/33600 10.0 2151.074 1196.452 1989.450 0.000 0.000 0.000 3/33600 20.0 711.216 359.193 531.630 0.000 0.000 0.000 3/33600 30.0 297.560 143.064 202.823 0.000 0.000 0.000 3/33600 40.0 162.937 77.636 105.977 0.000 0.000 0.000 3/33600 50.0 104.956 50.198 66.912 0.000 0.000 0.000 3/33600 60.0 74.743 35.942 47.382 0.000 0.000 0.000 3/33600 70.0 56.781 27.391 36.010 0.000 0.000 0.000 3/33600 80.0 45.071 21.749 28.646 0.000 0.000 0.000 3/33600 90.0 36.931 17.786 23.524 0.000 0.000 0.000 3/33600 100.0 31.012 14.882 19.784 0.000 0.000 0.000 3/33600 110.0 26.563 12.690 16.961 0.000 0.000 0.000 3/33600 120.0 23.129 10.996 14.776 0.000 0.000 0.000 3/33600 130.0 20.423 9.662 13.049 0.000 0.000 0.000 3/33600 140.0 18.250 8.593 11.661 0.000 0.000 0.000 3/33600 150.0 16.475 7.723 10.527 0.000 0.000 0.000 3/33600 160.0 15.006 7.006 9.589 0.000 0.000 0.000 3/33600 170.0 13.772 6.406 8.803 0.000 0.000 0.000 3/33600 180.0 12.725 5.899 8.136 0.000 0.000 0.000 3/33600 190.0 11.825 5.466 7.565 0.000 0.000 0.000 3/33600 200.0 11.046 5.093 7.071 0.000 0.000 0.000 3/33600 210.0 10.365 4.768 6.639 0.000 0.000 0.000 3/33600 220.0 9.764 4.483 6.260 0.000 0.000 0.000 3/33600 230.0 9.232 4.230 5.924 0.000 0.000 0.000 3/33600 240.0 8.756 4.006 5.624 0.000 0.000 0.000 3/33600 250.0 8.328 3.805 5.355 0.000 0.000 0.000 3/33600 260.0 7.942 3.624 5.112 0.000 0.000 0.000 3/33600 270.0 7.591 3.461 4.892 0.000 0.000 0.000 3/33600 280.0 7.271 3.312 4.691 0.000 0.000 0.000 3/33600 290.0 6.978 3.176 4.507 0.000 0.000 0.000 3/33600 300.0 6.709 3.051 4.338 0.000 0.000 0.000 3/33600 310.0 6.460 2.936 4.182 0.000 0.000 0.000 3/33600 320.0 6.230 2.830 4.037 0.000 0.000 0.000 3/33600 330.0 6.017 2.731 3.903 0.000 0.000 0.000 3/33600 340.0 5.818 2.640 3.778 0.000 0.000 0.000 3/33600 350.0 5.633 2.555 3.662 0.000 0.000 0.000 3/33600 360.0 5.459 2.475 3.552 0.000 0.000 0.000 3/33600 370.0 5.296 2.401 3.450 0.000 0.000 0.000 3/33600 380.0 5.143 2.331 3.354 0.000 0.000 0.000 3/33600 390.0 4.999 2.265 3.263 0.000 0.000 0.000 3/33600 400.0 4.863 2.203 3.177 0.000 0.000 0.000 3/33600 410.0 4.734 2.144 3.096 0.000 0.000 0.000 3/33600 420.0 4.613 2.089 3.019 0.000 0.000 0.000 3/33600 430.0 4.497 2.036 2.945 0.000 0.000 0.000 3/33600 440.0 4.388 1.986 2.876 0.000 0.000 0.000 3/33600 450.0 4.284 1.939 2.810 0.000 0.000 0.000 3/33600 460.0 4.184 1.894 2.747 0.000 0.000 0.000 3/33600 470.0 4.090 1.851 2.687 0.000 0.000 0.000 3/33600 480.0 4.000 1.810 2.629 0.000 0.000 0.000 3/33600 490.0 3.913 1.771 2.574 0.000 0.000 0.000 3/33600 500.0 3.831 1.733 2.522 0.000 0.000 0.000 3/33600 510.0 3.752 1.697 2.471 0.000 0.000 0.000 3/33600 520.0 3.676 1.663 2.423 0.000 0.000 0.000 3/33600 530.0 3.603 1.630 2.376 0.000 0.000 0.000 3/33600 540.0 3.533 1.598 2.331 0.000 0.000 0.000 3/33600 550.0 3.466 1.568 2.288 0.000 0.000 0.000 3/33600 560.0 3.402 1.539 2.247 0.000 0.000 0.000 3/33600 570.0 3.340 1.511 2.207 0.000 0.000 0.000 3/33600 580.0 3.280 1.484 2.169 0.000 0.000 0.000 3/33600 590.0 3.222 1.457 2.131 0.000 0.000 0.000 3/33600 600.0 3.167 1.432 2.096 0.000 0.000 0.000 3/33600 610.0 3.113 1.408 2.061 0.000 0.000 0.000 3/33600 620.0 3.061 1.384 2.027 0.000 0.000 0.000 3/33600 630.0 3.011 1.362 1.995 0.000 0.000 0.000 3/33600 640.0 2.962 1.340 1.964 0.000 0.000 0.000 3/33600 650.0 2.915 1.319 1.933 0.000 0.000 0.000 3/33600 660.0 2.870 1.298 1.904 0.000 0.000 0.000 3/33600 670.0 2.826 1.278 1.875 0.000 0.000 0.000 3/33600 680.0 2.783 1.259 1.848 0.000 0.000 0.000 3/33600 690.0 2.742 1.240 1.821 0.000 0.000 0.000 3/33600 700.0 2.701 1.222 1.795 0.000 0.000 0.000 3/33600 710.0 2.662 1.204 1.769 0.000 0.000 0.000 3/33600 720.0 2.625 1.187 1.745 0.000 0.000 0.000 3/33600 730.0 2.588 1.171 1.721 0.000 0.000 0.000 3/33600 740.0 2.552 1.154 1.697 0.000 0.000 0.000 3/33600 750.0 2.517 1.139 1.675 0.000 0.000 0.000 3/33600 760.0 2.483 1.123 1.653 0.000 0.000 0.000 3/33600 770.0 2.450 1.109 1.631 0.000 0.000 0.000 3/33600 780.0 2.418 1.094 1.610 0.000 0.000 0.000 3/33600 790.0 2.387 1.080 1.590 0.000 0.000 0.000 3/33600 800.0 2.357 1.066 1.570 0.000 0.000 0.000 3/33600 810.0 2.327 1.053 1.551 0.000 0.000 0.000 3/33600 820.0 2.298 1.040 1.532 0.000 0.000 0.000 3/33600 830.0 2.270 1.027 1.513 0.000 0.000 0.000 3/33600 840.0 2.243 1.015 1.495 0.000 0.000 0.000 3/33600 850.0 2.216 1.002 1.478 0.000 0.000 0.000 3/33600 860.0 2.190 0.991 1.461 0.000 0.000 0.000 3/33600 870.0 2.164 0.979 1.444 0.000 0.000 0.000 3/33600 880.0 2.139 0.968 1.427 0.000 0.000 0.000 3/33600 890.0 2.115 0.957 1.411 0.000 0.000 0.000 3/33600 900.0 2.091 0.946 1.396 0.000 0.000 0.000 3/33600 910.0 2.067 0.936 1.380 0.000 0.000 0.000 3/33600 920.0 2.045 0.925 1.365 0.000 0.000 0.000 3/33600 930.0 2.022 0.915 1.351 0.000 0.000 0.000 3/33600 940.0 2.001 0.905 1.336 0.000 0.000 0.000 3/33600 950.0 1.979 0.896 1.322 0.000 0.000 0.000 3/33600 960.0 1.958 0.886 1.309 0.000 0.000 0.000 3/33600 970.0 1.938 0.877 1.295 0.000 0.000 0.000 3/33600 980.0 1.918 0.868 1.282 0.000 0.000 0.000 3/33600 990.0 1.898 0.859 1.269 0.000 0.000 0.000 3/33600 1000.0 1.879 0.850 1.257 0.000 0.000 0.000 3/33600 Thermal conductivity related properties were written into "kappa-m71010.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-07 23:14:04]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|