----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-07 19:28:18]------------------------- Compiled with OpenMP support (max 128 threads). Running in phonopy.load mode. Python version 3.14.2 Spglib version 2.6.1 Crystal structure was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". Unit of length: angstrom Settings: Supercell: [2 1 1] Primitive matrix: [0.5 0.5 0. ] [-0.5 0.5 0. ] [0. 0. 1.] Spacegroup: Cmc2_1 (36) Number of symmetry operations in supercell: 16 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 2.854645770000000 -7.508348575000000 0.000000000000000 b 2.854645770000000 7.508348575000000 0.000000000000000 c 0.000000000000000 0.000000000000000 7.711771060000000 Atomic positions (fractional): *1 B 0.98496808451310 0.01503191548690 0.72269751833563 10.811 2 B 0.01503191548690 0.98496808451310 0.22269751833563 10.811 *3 O 0.19147690931029 0.80852309068971 0.43558391203292 15.999 *4 O 0.95326370426916 0.04673629573084 0.09336063226724 15.999 5 O 0.04673629573084 0.95326370426916 0.59336063226724 15.999 *6 O 0.45438947256502 0.54561052743498 0.07368405184478 15.999 7 O 0.54561052743498 0.45438947256502 0.57368405184478 15.999 *8 O 0.66822165490840 0.33177834509160 0.36561023653464 15.999 9 O 0.33177834509160 0.66822165490840 0.86561023653464 15.999 *10 O 0.83763700086790 0.74274242024372 0.28725562191005 15.999 11 O 0.80852309068971 0.19147690931029 0.93558391203292 15.999 *12 O 0.64716241525763 0.35283758474237 0.03583843871660 15.999 13 O 0.74274242024372 0.83763700086790 0.78725562191005 15.999 14 O 0.25725757975628 0.16236299913210 0.28725562191005 15.999 15 O 0.16236299913210 0.25725757975628 0.78725562191005 15.999 *16 O 0.44771147666553 0.06686974844922 0.69875403389712 15.999 17 O 0.06686974844922 0.44771147666552 0.19875403389712 15.999 18 O 0.55228852333447 0.93313025155078 0.19875403389712 15.999 19 O 0.93313025155078 0.55228852333448 0.69875403389712 15.999 20 O 0.35283758474237 0.64716241525763 0.53583843871660 15.999 *21 Al 0.36751665310586 0.13614724223746 0.49971299978262 26.982 *22 Al 0.29740271428823 0.70259728571177 0.33230817793106 26.982 23 Al 0.70259728571177 0.29740271428823 0.83230817793107 26.982 *24 Al 0.55667116143282 0.44332883856718 0.18644004668081 26.982 25 Al 0.44332883856718 0.55667116143282 0.68644004668081 26.982 *26 Al 0.74440520750740 0.25559479249260 0.18183165447669 26.982 27 Al 0.25559479249260 0.74440520750740 0.68183165447669 26.982 28 Al 0.13614724223746 0.36751665310586 0.99971299978262 26.982 29 Al 0.86385275776254 0.63248334689414 0.49971299978262 26.982 30 Al 0.63248334689414 0.86385275776254 0.99971299978262 26.982 -------------------------------- unit cell --------------------------------- Lattice vectors: a 5.709291540000000 0.000000000000000 0.000000000000000 b 0.000000000000000 15.016697150000001 0.000000000000000 c 0.000000000000000 0.000000000000000 7.711771060000000 Atomic positions (fractional): *1 B 0.50000000000000 0.51503191548690 0.72269751833563 10.811 > 1 2 B 0.00000000000000 0.98496808451310 0.22269751833563 10.811 > 2 3 B 0.00000000000000 0.01503191548690 0.72269751833563 10.811 > 1 4 B 0.50000000000000 0.48496808451310 0.22269751833563 10.811 > 2 *5 O 0.00000000000000 0.80852309068971 0.43558391203292 15.999 > 3 *6 O 0.50000000000000 0.54673629573084 0.09336063226724 15.999 > 4 7 O 0.00000000000000 0.95326370426916 0.59336063226724 15.999 > 5 *8 O 0.00000000000000 0.54561052743498 0.07368405184478 15.999 > 6 9 O 0.50000000000000 0.95438947256502 0.57368405184478 15.999 > 7 *10 O 0.50000000000000 0.83177834509160 0.36561023653464 15.999 > 8 11 O 0.00000000000000 0.66822165490840 0.86561023653464 15.999 > 9 *12 O 0.79018971055581 0.95255270968791 0.28725562191005 15.999 > 10 13 O 0.50000000000000 0.69147690931029 0.93558391203292 15.999 > 11 *14 O 0.50000000000000 0.85283758474237 0.03583843871660 15.999 > 12 15 O 0.29018971055581 0.54744729031209 0.78725562191005 15.999 > 13 16 O 0.20981028944419 0.95255270968791 0.28725562191005 15.999 > 14 17 O 0.70981028944419 0.54744729031209 0.78725562191005 15.999 > 15 *18 O 0.25729061255737 0.80957913589185 0.69875403389712 15.999 > 16 19 O 0.75729061255737 0.69042086410815 0.19875403389712 15.999 > 17 20 O 0.24270938744263 0.69042086410815 0.19875403389712 15.999 > 18 21 O 0.74270938744263 0.80957913589185 0.69875403389712 15.999 > 19 22 O 0.00000000000000 0.64716241525763 0.53583843871660 15.999 > 20 23 O 0.50000000000000 0.30852309068971 0.43558391203292 15.999 > 3 24 O 0.00000000000000 0.04673629573084 0.09336063226724 15.999 > 4 25 O 0.50000000000000 0.45326370426916 0.59336063226724 15.999 > 5 26 O 0.50000000000000 0.04561052743498 0.07368405184478 15.999 > 6 27 O 0.00000000000000 0.45438947256502 0.57368405184478 15.999 > 7 28 O 0.00000000000000 0.33177834509160 0.36561023653464 15.999 > 8 29 O 0.50000000000000 0.16822165490840 0.86561023653464 15.999 > 9 30 O 0.29018971055581 0.45255270968791 0.28725562191005 15.999 > 10 31 O 0.00000000000000 0.19147690931029 0.93558391203292 15.999 > 11 32 O 0.00000000000000 0.35283758474237 0.03583843871660 15.999 > 12 33 O 0.79018971055581 0.04744729031209 0.78725562191005 15.999 > 13 34 O 0.70981028944419 0.45255270968791 0.28725562191005 15.999 > 14 35 O 0.20981028944419 0.04744729031209 0.78725562191005 15.999 > 15 36 O 0.75729061255737 0.30957913589184 0.69875403389712 15.999 > 16 37 O 0.25729061255737 0.19042086410816 0.19875403389712 15.999 > 17 38 O 0.74270938744263 0.19042086410816 0.19875403389712 15.999 > 18 39 O 0.24270938744263 0.30957913589184 0.69875403389712 15.999 > 19 40 O 0.50000000000000 0.14716241525763 0.53583843871660 15.999 > 20 *41 Al 0.25183194767166 0.88431529456580 0.49971299978262 26.982 > 21 *42 Al 0.00000000000000 0.70259728571177 0.33230817793106 26.982 > 22 43 Al 0.50000000000000 0.79740271428823 0.83230817793107 26.982 > 23 *44 Al 0.50000000000000 0.94332883856718 0.18644004668081 26.982 > 24 45 Al 0.00000000000000 0.55667116143282 0.68644004668081 26.982 > 25 *46 Al 0.50000000000000 0.75559479249260 0.18183165447669 26.982 > 26 47 Al 0.00000000000000 0.74440520750740 0.68183165447669 26.982 > 27 48 Al 0.75183194767166 0.61568470543420 0.99971299978262 26.982 > 28 49 Al 0.74816805232834 0.88431529456580 0.49971299978262 26.982 > 29 50 Al 0.24816805232834 0.61568470543420 0.99971299978262 26.982 > 30 51 Al 0.75183194767166 0.38431529456580 0.49971299978262 26.982 > 21 52 Al 0.50000000000000 0.20259728571177 0.33230817793106 26.982 > 22 53 Al 0.00000000000000 0.29740271428823 0.83230817793107 26.982 > 23 54 Al 0.00000000000000 0.44332883856718 0.18644004668081 26.982 > 24 55 Al 0.50000000000000 0.05667116143282 0.68644004668081 26.982 > 25 56 Al 0.00000000000000 0.25559479249261 0.18183165447669 26.982 > 26 57 Al 0.50000000000000 0.24440520750740 0.68183165447669 26.982 > 27 58 Al 0.25183194767166 0.11568470543420 0.99971299978262 26.982 > 28 59 Al 0.24816805232834 0.38431529456580 0.49971299978262 26.982 > 29 60 Al 0.74816805232834 0.11568470543420 0.99971299978262 26.982 > 30 -------------------------------- super cell -------------------------------- Lattice vectors: a 11.418583079999999 0.000000000000000 0.000000000000000 b 0.000000000000000 15.016697150000001 0.000000000000000 c 0.000000000000000 0.000000000000000 7.711771060000000 Atomic positions (fractional): *1 B 0.25000000000000 0.51503191548690 0.72269751833563 10.811 > 1 2 B 0.75000000000000 0.51503191548690 0.72269751833563 10.811 > 1 3 B 0.00000000000000 0.98496808451310 0.22269751833563 10.811 > 2 4 B 0.50000000000000 0.98496808451310 0.22269751833563 10.811 > 2 5 B 0.00000000000000 0.01503191548690 0.72269751833563 10.811 > 1 6 B 0.50000000000000 0.01503191548690 0.72269751833563 10.811 > 1 7 B 0.25000000000000 0.48496808451310 0.22269751833563 10.811 > 2 8 B 0.75000000000000 0.48496808451310 0.22269751833563 10.811 > 2 *9 O 0.00000000000000 0.80852309068971 0.43558391203292 15.999 > 3 10 O 0.50000000000000 0.80852309068971 0.43558391203292 15.999 > 3 *11 O 0.25000000000000 0.54673629573084 0.09336063226724 15.999 > 4 12 O 0.75000000000000 0.54673629573084 0.09336063226724 15.999 > 4 13 O 0.00000000000000 0.95326370426916 0.59336063226724 15.999 > 5 14 O 0.50000000000000 0.95326370426916 0.59336063226724 15.999 > 5 *15 O 0.00000000000000 0.54561052743498 0.07368405184478 15.999 > 6 16 O 0.50000000000000 0.54561052743498 0.07368405184478 15.999 > 6 17 O 0.25000000000000 0.95438947256502 0.57368405184478 15.999 > 7 18 O 0.75000000000000 0.95438947256502 0.57368405184478 15.999 > 7 *19 O 0.25000000000000 0.83177834509160 0.36561023653464 15.999 > 8 20 O 0.75000000000000 0.83177834509160 0.36561023653464 15.999 > 8 21 O 0.00000000000000 0.66822165490840 0.86561023653464 15.999 > 9 22 O 0.50000000000000 0.66822165490840 0.86561023653464 15.999 > 9 *23 O 0.39509485527790 0.95255270968791 0.28725562191005 15.999 > 10 24 O 0.89509485527790 0.95255270968791 0.28725562191005 15.999 > 10 25 O 0.25000000000000 0.69147690931029 0.93558391203292 15.999 > 11 26 O 0.75000000000000 0.69147690931029 0.93558391203292 15.999 > 11 *27 O 0.25000000000000 0.85283758474237 0.03583843871660 15.999 > 12 28 O 0.75000000000000 0.85283758474237 0.03583843871660 15.999 > 12 29 O 0.14509485527790 0.54744729031209 0.78725562191005 15.999 > 13 30 O 0.64509485527790 0.54744729031209 0.78725562191005 15.999 > 13 31 O 0.10490514472210 0.95255270968791 0.28725562191005 15.999 > 14 32 O 0.60490514472210 0.95255270968791 0.28725562191005 15.999 > 14 33 O 0.35490514472210 0.54744729031209 0.78725562191005 15.999 > 15 34 O 0.85490514472210 0.54744729031209 0.78725562191005 15.999 > 15 *35 O 0.12864530627869 0.80957913589185 0.69875403389712 15.999 > 16 36 O 0.62864530627868 0.80957913589185 0.69875403389712 15.999 > 16 37 O 0.37864530627868 0.69042086410815 0.19875403389712 15.999 > 17 38 O 0.87864530627868 0.69042086410815 0.19875403389712 15.999 > 17 39 O 0.12135469372131 0.69042086410815 0.19875403389712 15.999 > 18 40 O 0.62135469372132 0.69042086410815 0.19875403389712 15.999 > 18 41 O 0.37135469372132 0.80957913589185 0.69875403389712 15.999 > 19 42 O 0.87135469372132 0.80957913589185 0.69875403389712 15.999 > 19 43 O 0.00000000000000 0.64716241525763 0.53583843871660 15.999 > 20 44 O 0.50000000000000 0.64716241525763 0.53583843871660 15.999 > 20 45 O 0.25000000000000 0.30852309068971 0.43558391203292 15.999 > 3 46 O 0.75000000000000 0.30852309068971 0.43558391203292 15.999 > 3 47 O 0.00000000000000 0.04673629573084 0.09336063226724 15.999 > 4 48 O 0.50000000000000 0.04673629573084 0.09336063226724 15.999 > 4 49 O 0.25000000000000 0.45326370426916 0.59336063226724 15.999 > 5 50 O 0.75000000000000 0.45326370426916 0.59336063226724 15.999 > 5 51 O 0.25000000000000 0.04561052743498 0.07368405184478 15.999 > 6 52 O 0.75000000000000 0.04561052743498 0.07368405184478 15.999 > 6 53 O 0.00000000000000 0.45438947256502 0.57368405184478 15.999 > 7 54 O 0.50000000000000 0.45438947256502 0.57368405184478 15.999 > 7 55 O 0.00000000000000 0.33177834509160 0.36561023653464 15.999 > 8 56 O 0.50000000000000 0.33177834509160 0.36561023653464 15.999 > 8 57 O 0.25000000000000 0.16822165490840 0.86561023653464 15.999 > 9 58 O 0.75000000000000 0.16822165490840 0.86561023653464 15.999 > 9 59 O 0.14509485527790 0.45255270968791 0.28725562191005 15.999 > 10 60 O 0.64509485527790 0.45255270968791 0.28725562191005 15.999 > 10 61 O 0.00000000000000 0.19147690931029 0.93558391203292 15.999 > 11 62 O 0.50000000000000 0.19147690931029 0.93558391203292 15.999 > 11 63 O 0.00000000000000 0.35283758474237 0.03583843871660 15.999 > 12 64 O 0.50000000000000 0.35283758474237 0.03583843871660 15.999 > 12 65 O 0.39509485527790 0.04744729031209 0.78725562191005 15.999 > 13 66 O 0.89509485527790 0.04744729031209 0.78725562191005 15.999 > 13 67 O 0.35490514472210 0.45255270968791 0.28725562191005 15.999 > 14 68 O 0.85490514472210 0.45255270968791 0.28725562191005 15.999 > 14 69 O 0.10490514472210 0.04744729031209 0.78725562191005 15.999 > 15 70 O 0.60490514472210 0.04744729031209 0.78725562191005 15.999 > 15 71 O 0.37864530627868 0.30957913589184 0.69875403389712 15.999 > 16 72 O 0.87864530627868 0.30957913589184 0.69875403389712 15.999 > 16 73 O 0.12864530627869 0.19042086410816 0.19875403389712 15.999 > 17 74 O 0.62864530627868 0.19042086410816 0.19875403389712 15.999 > 17 75 O 0.37135469372132 0.19042086410816 0.19875403389712 15.999 > 18 76 O 0.87135469372132 0.19042086410816 0.19875403389712 15.999 > 18 77 O 0.12135469372131 0.30957913589184 0.69875403389712 15.999 > 19 78 O 0.62135469372132 0.30957913589184 0.69875403389712 15.999 > 19 79 O 0.25000000000000 0.14716241525763 0.53583843871660 15.999 > 20 80 O 0.75000000000000 0.14716241525763 0.53583843871660 15.999 > 20 *81 Al 0.12591597383583 0.88431529456580 0.49971299978262 26.982 > 21 82 Al 0.62591597383583 0.88431529456580 0.49971299978262 26.982 > 21 *83 Al 0.00000000000000 0.70259728571177 0.33230817793106 26.982 > 22 84 Al 0.50000000000000 0.70259728571177 0.33230817793106 26.982 > 22 85 Al 0.25000000000000 0.79740271428823 0.83230817793107 26.982 > 23 86 Al 0.75000000000000 0.79740271428823 0.83230817793107 26.982 > 23 *87 Al 0.25000000000000 0.94332883856718 0.18644004668081 26.982 > 24 88 Al 0.75000000000000 0.94332883856718 0.18644004668081 26.982 > 24 89 Al 0.00000000000000 0.55667116143282 0.68644004668081 26.982 > 25 90 Al 0.50000000000000 0.55667116143282 0.68644004668081 26.982 > 25 *91 Al 0.25000000000000 0.75559479249260 0.18183165447669 26.982 > 26 92 Al 0.75000000000000 0.75559479249260 0.18183165447669 26.982 > 26 93 Al 0.00000000000000 0.74440520750740 0.68183165447669 26.982 > 27 94 Al 0.50000000000000 0.74440520750740 0.68183165447669 26.982 > 27 95 Al 0.37591597383583 0.61568470543420 0.99971299978262 26.982 > 28 96 Al 0.87591597383583 0.61568470543420 0.99971299978262 26.982 > 28 97 Al 0.37408402616417 0.88431529456580 0.49971299978262 26.982 > 29 98 Al 0.87408402616417 0.88431529456580 0.49971299978262 26.982 > 29 99 Al 0.12408402616417 0.61568470543420 0.99971299978262 26.982 > 30 100 Al 0.62408402616417 0.61568470543420 0.99971299978262 26.982 > 30 101 Al 0.37591597383583 0.38431529456580 0.49971299978262 26.982 > 21 102 Al 0.87591597383583 0.38431529456580 0.49971299978262 26.982 > 21 103 Al 0.25000000000000 0.20259728571177 0.33230817793106 26.982 > 22 104 Al 0.75000000000000 0.20259728571177 0.33230817793106 26.982 > 22 105 Al 0.00000000000000 0.29740271428823 0.83230817793107 26.982 > 23 106 Al 0.50000000000000 0.29740271428823 0.83230817793107 26.982 > 23 107 Al 0.00000000000000 0.44332883856718 0.18644004668081 26.982 > 24 108 Al 0.50000000000000 0.44332883856718 0.18644004668081 26.982 > 24 109 Al 0.25000000000000 0.05667116143282 0.68644004668081 26.982 > 25 110 Al 0.75000000000000 0.05667116143282 0.68644004668081 26.982 > 25 111 Al 0.00000000000000 0.25559479249261 0.18183165447669 26.982 > 26 112 Al 0.50000000000000 0.25559479249261 0.18183165447669 26.982 > 26 113 Al 0.25000000000000 0.24440520750740 0.68183165447669 26.982 > 27 114 Al 0.75000000000000 0.24440520750740 0.68183165447669 26.982 > 27 115 Al 0.12591597383583 0.11568470543420 0.99971299978262 26.982 > 28 116 Al 0.62591597383583 0.11568470543420 0.99971299978262 26.982 > 28 117 Al 0.12408402616417 0.38431529456580 0.49971299978262 26.982 > 29 118 Al 0.62408402616417 0.38431529456580 0.49971299978262 26.982 > 29 119 Al 0.37408402616417 0.11568470543420 0.99971299978262 26.982 > 30 120 Al 0.87408402616417 0.11568470543420 0.99971299978262 26.982 > 30 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 2.7667858 0.0000000 0.0000000 0.0000000 2.6737371 0.0000000 0.0000000 0.0000000 2.7224024 -------------------------- Born effective charges -------------------------- 1 B 2.8942124 0.0000000 0.0000000 0.0000000 1.7581132 1.2468964 0.0000000 1.1569590 1.7942998 2 B 2.8942124 0.0000000 0.0000000 0.0000000 1.7581132 -1.2468964 0.0000000 -1.1569590 1.7942998 3 O -1.7563609 0.0000000 0.0000000 0.0000000 -2.0173208 -0.1555571 0.0000000 -0.1326714 -1.7251330 4 O -1.6246044 0.0000000 0.0000000 0.0000000 -1.8324761 0.8904424 0.0000000 0.8450945 -1.7368149 5 O -1.6246044 0.0000000 0.0000000 0.0000000 -1.8324761 -0.8904424 0.0000000 -0.8450945 -1.7368149 6 O -1.8961161 0.0000000 0.0000000 0.0000000 -1.9880422 0.3320855 0.0000000 0.4157899 -1.6206990 7 O -1.8961161 0.0000000 0.0000000 0.0000000 -1.9880422 -0.3320855 0.0000000 -0.4157899 -1.6206990 8 O -1.8004880 0.0000000 0.0000000 0.0000000 -1.7463616 -0.3107348 0.0000000 -0.3113174 -2.0049762 9 O -1.8004880 0.0000000 0.0000000 0.0000000 -1.7463616 0.3107348 0.0000000 0.3113174 -2.0049762 10 O -2.3827487 -0.4409784 0.1743352 -0.4895109 -1.3207508 0.4732641 0.1834399 0.5147208 -1.5226263 11 O -1.7563609 0.0000000 0.0000000 0.0000000 -2.0173208 0.1555571 0.0000000 0.1326714 -1.7251330 12 O -1.0627484 0.0000000 0.0000000 0.0000000 -2.0537826 -0.3237553 0.0000000 -0.2858669 -2.1591003 13 O -2.3827487 0.4409784 0.1743352 0.4895109 -1.3207508 -0.4732641 0.1834399 -0.5147208 -1.5226263 14 O -2.3827487 0.4409784 -0.1743352 0.4895109 -1.3207508 0.4732641 -0.1834399 0.5147208 -1.5226263 15 O -2.3827487 -0.4409784 -0.1743352 -0.4895109 -1.3207508 -0.4732641 -0.1834399 -0.5147208 -1.5226263 16 O -1.9521109 -0.2512831 -0.3441517 -0.2379624 -1.5612316 0.4237820 -0.3101375 0.3196323 -1.7552117 17 O -1.9521109 0.2512831 -0.3441517 0.2379624 -1.5612316 -0.4237820 -0.3101375 -0.3196323 -1.7552117 18 O -1.9521109 -0.2512831 0.3441517 -0.2379624 -1.5612316 -0.4237820 0.3101375 -0.3196323 -1.7552117 19 O -1.9521109 0.2512831 0.3441517 0.2379624 -1.5612316 0.4237820 0.3101375 0.3196323 -1.7552117 20 O -1.0627484 0.0000000 0.0000000 0.0000000 -2.0537826 0.3237553 0.0000000 0.2858669 -2.1591003 21 Al 3.0786589 0.0253075 -0.0107863 0.0521838 2.7457381 -0.1311456 -0.2393108 -0.0425187 2.8938997 22 Al 2.4535925 0.0000000 0.0000000 0.0000000 2.4033050 0.2495413 0.0000000 0.2995089 2.9402654 23 Al 2.4535925 0.0000000 0.0000000 0.0000000 2.4033050 -0.2495413 0.0000000 -0.2995089 2.9402654 24 Al 2.8515727 0.0000000 0.0000000 0.0000000 3.0062062 -0.1872235 0.0000000 -0.2737308 2.6542198 25 Al 2.8515727 0.0000000 0.0000000 0.0000000 3.0062062 0.1872235 0.0000000 0.2737308 2.6542198 26 Al 2.4533416 0.0000000 0.0000000 0.0000000 2.7428474 0.4490421 0.0000000 0.3211857 2.6258150 27 Al 2.4533416 0.0000000 0.0000000 0.0000000 2.7428474 -0.4490421 0.0000000 -0.3211857 2.6258150 28 Al 3.0786589 -0.0253075 -0.0107863 -0.0521838 2.7457381 0.1311456 -0.2393108 0.0425187 2.8938997 29 Al 3.0786589 -0.0253075 0.0107863 -0.0521838 2.7457381 -0.1311456 0.2393108 -0.0425187 2.8938997 30 Al 3.0786589 0.0253075 0.0107863 0.0521838 2.7457381 0.1311456 0.2393108 0.0425187 2.8938997 ---------------------------------------------------------------------------- Displacement-force dataset was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". -------------------------------- Symfc start ------------------------------- Symfc version 1.5.4 (https://github.com/symfc/symfc) Citation: A. Seko and A. Togo, Phys. Rev. B, 110, 214302 (2024) Computing [2] order force constants. Permutation basis: 360/360 Permutation basis: 20142/20142 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 4266 Number of blocks in projector: 4266 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: 1062 Use submatrix version of eigh solver. (1) Block: 500 / 1062 (2) Block: 250 / 500 (2) 232 eigenvectors found. (2) Block: 500 / 500 (2) 226 eigenvectors found. (2) Complementary block size: 42 (2) Compute compressed projector. (2) Use standard solver. (2) 18 eigenvectors found. (1) 476 eigenvectors found. (1) Block: 1062 / 1062 (2) Block: 250 / 562 (2) 226 eigenvectors found. (2) Block: 500 / 562 (2) 232 eigenvectors found. (2) Block: 562 / 562 (2) 52 eigenvectors found. (2) Complementary block size: 52 (2) Compute compressed projector. (2) Use standard solver. (2) 28 eigenvectors found. (1) 538 eigenvectors found. (1) Complementary block size: 48 (1) Compute compressed projector. (1) Use standard solver. (1) 24 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 738 Use submatrix version of eigh solver. (1) Block: 500 / 738 (2) Block: 250 / 500 (2) 244 eigenvectors found. (2) Block: 500 / 500 (2) 244 eigenvectors found. (2) Complementary block size: 12 (2) Compute compressed projector. (2) Use standard solver. (2) 6 eigenvectors found. (1) 494 eigenvectors found. (1) Block: 738 / 738 (1) 232 eigenvectors found. (1) Complementary block size: 12 (1) Compute compressed projector. (1) Use standard solver. (1) 6 eigenvectors found. --- Eigsh_solver_block: 3 / 6 --- Block_size: 738 Use submatrix version of eigh solver. (1) Block: 500 / 738 (2) Block: 250 / 500 (2) 244 eigenvectors found. (2) Block: 500 / 500 (2) 244 eigenvectors found. (2) Complementary block size: 12 (2) Compute compressed projector. (2) Use standard solver. (2) 6 eigenvectors found. (1) 494 eigenvectors found. (1) Block: 738 / 738 (1) 232 eigenvectors found. (1) Complementary block size: 12 (1) Compute compressed projector. (1) Use standard solver. (1) 6 eigenvectors found. --- Eigsh_solver_block: 4 / 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) 70 eigenvectors found. (2) Complementary block size: 30 (2) Compute compressed projector. (2) Use standard solver. (2) 18 eigenvectors found. (1) 564 eigenvectors found. (1) Complementary block size: 11 (1) Compute compressed projector. (1) Use standard solver. (1) 0 eigenvectors found. --- Eigsh_solver_block: 5 / 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) 70 eigenvectors found. (2) Complementary block size: 30 (2) Compute compressed projector. (2) Use standard solver. (2) 18 eigenvectors found. (1) 564 eigenvectors found. (1) Complementary block size: 11 (1) Compute compressed projector. (1) Use standard solver. (1) 0 eigenvectors found. --- Eigsh_solver_block: 6 / 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) 70 eigenvectors found. (2) Complementary block size: 30 (2) Compute compressed projector. (2) Use standard solver. (2) 18 eigenvectors found. (1) 564 eigenvectors found. (1) Complementary block size: 11 (1) Compute compressed projector. (1) Use standard solver. (1) 0 eigenvectors found. Tree of FC basis block matrices: - (4266, 4194), data: False |-- (576, 564), data: False |-- (576, 564), data: False |-- (576, 18), data: (576, 30) @ (30, 18) |-- (76, 70), data: True |-- (250, 238), data: True |-- (250, 238), data: True |-- (576, 564), data: False |-- (576, 564), data: False |-- (576, 18), data: (576, 30) @ (30, 18) |-- (76, 70), data: True |-- (250, 238), data: True |-- (250, 238), data: True |-- (576, 564), data: False |-- (576, 564), data: False |-- (576, 18), data: (576, 30) @ (30, 18) |-- (76, 70), data: True |-- (250, 238), data: True |-- (250, 238), data: True |-- (738, 732), data: False |-- (738, 6), data: (738, 12) @ (12, 6) |-- (238, 232), data: True |-- (500, 494), data: False |-- (500, 6), data: (500, 12) @ (12, 6) |-- (250, 244), data: True |-- (250, 244), data: True |-- (738, 732), data: False |-- (738, 6), data: (738, 12) @ (12, 6) |-- (238, 232), data: True |-- (500, 494), data: False |-- (500, 6), data: (500, 12) @ (12, 6) |-- (250, 244), data: True |-- (250, 244), data: True |-- (1062, 1038), data: False |-- (1062, 24), data: (1062, 48) @ (48, 24) |-- (562, 538), data: False |-- (562, 28), data: (562, 52) @ (52, 28) |-- (62, 52), data: True |-- (250, 232), data: True |-- (250, 226), data: True |-- (500, 476), data: False |-- (500, 18), data: (500, 42) @ (42, 18) |-- (250, 226), data: True |-- (250, 232), data: True ----- Solver_atoms: 1 -- 120 / 120 Time (Solver_compr_matrix_reshape): 0.003 Solver_block: 100 / 960 - Time: 1.056 Solver_block: 200 / 960 - Time: 0.929 Solver_block: 300 / 960 - Time: 0.948 Solver_block: 400 / 960 - Time: 0.946 Solver_block: 500 / 960 - Time: 0.945 Solver_block: 600 / 960 - Time: 0.941 Solver_block: 700 / 960 - Time: 0.950 Solver_block: 800 / 960 - Time: 0.949 Solver_block: 900 / 960 - Time: 0.943 Solver_block: 960 / 960 - Time: 0.644 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 9.499 --------------------------------- Symfc end -------------------------------- Max drift of force constants: 0.00000000 (xx) 0.00000000 (xx) Permutation basis: 360/360 Permutation basis: 20142/20142 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 4266 Number of blocks in projector: 4266 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: 1062 Use submatrix version of eigh solver. (1) Block: 500 / 1062 (2) Block: 250 / 500 (2) 232 eigenvectors found. (2) Block: 500 / 500 (2) 226 eigenvectors found. (2) Complementary block size: 42 (2) Compute compressed projector. (2) Use standard solver. (2) 18 eigenvectors found. (1) 476 eigenvectors found. (1) Block: 1062 / 1062 (2) Block: 250 / 562 (2) 226 eigenvectors found. (2) Block: 500 / 562 (2) 232 eigenvectors found. (2) Block: 562 / 562 (2) 52 eigenvectors found. (2) Complementary block size: 52 (2) Compute compressed projector. (2) Use standard solver. (2) 28 eigenvectors found. (1) 538 eigenvectors found. (1) Complementary block size: 48 (1) Compute compressed projector. (1) Use standard solver. (1) 24 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 738 Use submatrix version of eigh solver. (1) Block: 500 / 738 (2) Block: 250 / 500 (2) 244 eigenvectors found. (2) Block: 500 / 500 (2) 244 eigenvectors found. (2) Complementary block size: 12 (2) Compute compressed projector. (2) Use standard solver. (2) 6 eigenvectors found. (1) 494 eigenvectors found. (1) Block: 738 / 738 (1) 232 eigenvectors found. (1) Complementary block size: 12 (1) Compute compressed projector. (1) Use standard solver. (1) 6 eigenvectors found. --- Eigsh_solver_block: 3 / 6 --- Block_size: 738 Use submatrix version of eigh solver. (1) Block: 500 / 738 (2) Block: 250 / 500 (2) 244 eigenvectors found. (2) Block: 500 / 500 (2) 244 eigenvectors found. (2) Complementary block size: 12 (2) Compute compressed projector. (2) Use standard solver. (2) 6 eigenvectors found. (1) 494 eigenvectors found. (1) Block: 738 / 738 (1) 232 eigenvectors found. (1) Complementary block size: 12 (1) Compute compressed projector. (1) Use standard solver. (1) 6 eigenvectors found. --- Eigsh_solver_block: 4 / 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) 70 eigenvectors found. (2) Complementary block size: 30 (2) Compute compressed projector. (2) Use standard solver. (2) 18 eigenvectors found. (1) 564 eigenvectors found. (1) Complementary block size: 11 (1) Compute compressed projector. (1) Use standard solver. (1) 0 eigenvectors found. --- Eigsh_solver_block: 5 / 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) 70 eigenvectors found. (2) Complementary block size: 30 (2) Compute compressed projector. (2) Use standard solver. (2) 18 eigenvectors found. (1) 564 eigenvectors found. (1) Complementary block size: 11 (1) Compute compressed projector. (1) Use standard solver. (1) 0 eigenvectors found. --- Eigsh_solver_block: 6 / 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) 70 eigenvectors found. (2) Complementary block size: 30 (2) Compute compressed projector. (2) Use standard solver. (2) 18 eigenvectors found. (1) 564 eigenvectors found. (1) Complementary block size: 11 (1) Compute compressed projector. (1) Use standard solver. (1) 0 eigenvectors found. Tree of FC basis block matrices: - (4266, 4194), data: False |-- (576, 564), data: False |-- (576, 564), data: False |-- (576, 18), data: (576, 30) @ (30, 18) |-- (76, 70), data: True |-- (250, 238), data: True |-- (250, 238), data: True |-- (576, 564), data: False |-- (576, 564), data: False |-- (576, 18), data: (576, 30) @ (30, 18) |-- (76, 70), data: True |-- (250, 238), data: True |-- (250, 238), data: True |-- (576, 564), data: False |-- (576, 564), data: False |-- (576, 18), data: (576, 30) @ (30, 18) |-- (76, 70), data: True |-- (250, 238), data: True |-- (250, 238), data: True |-- (738, 732), data: False |-- (738, 6), data: (738, 12) @ (12, 6) |-- (238, 232), data: True |-- (500, 494), data: False |-- (500, 6), data: (500, 12) @ (12, 6) |-- (250, 244), data: True |-- (250, 244), data: True |-- (738, 732), data: False |-- (738, 6), data: (738, 12) @ (12, 6) |-- (238, 232), data: True |-- (500, 494), data: False |-- (500, 6), data: (500, 12) @ (12, 6) |-- (250, 244), data: True |-- (250, 244), data: True |-- (1062, 1038), data: False |-- (1062, 24), data: (1062, 48) @ (48, 24) |-- (562, 538), data: False |-- (562, 28), data: (562, 52) @ (52, 28) |-- (62, 52), data: True |-- (250, 232), data: True |-- (250, 226), data: True |-- (500, 476), data: False |-- (500, 18), data: (500, 42) @ (42, 18) |-- (250, 226), data: True |-- (250, 232), data: True Max drift after symmetrization by symfc projector: 0.00000000 (xx) 0.00000000 (xx) Force constants are written into "force_constants.hdf5". ---------------------------------------------------------------------------- One of the following run modes may be specified for phonon calculations. - Mesh sampling (MESH, --mesh) - Q-points (QPOINTS, --qpoints) - Band structure (BAND, --band) - Animation (ANIME, --anime) - Modulation (MODULATION, --modulation) - Characters of Irreps (IRREPS, --irreps) - Create displacements (CREATE_DISPLACEMENTS, -d) ---------------------------------------------------------------------------- Summary of calculation was written in "phonopy.yaml". -------------------------[time 2026-01-07 19:29:11]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-07 19:29:12]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: force constants HDF5 data compression filter: gzip Crystal structure was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". Supercell (dim): [2 1 1] Primitive matrix: [0.5 0.5 0. ] [-0.5 0.5 0. ] [0. 0. 1.] Spacegroup: Cmc2_1 (36) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 2.854645770000000 -7.508348575000000 0.000000000000000 b 2.854645770000000 7.508348575000000 0.000000000000000 c 0.000000000000000 0.000000000000000 7.711771060000000 Atomic positions (fractional): 1 B 0.98496808451310 0.01503191548690 0.72269751833563 10.811 2 B 0.01503191548690 0.98496808451310 0.22269751833563 10.811 3 O 0.19147690931029 0.80852309068971 0.43558391203292 15.999 4 O 0.95326370426916 0.04673629573084 0.09336063226724 15.999 5 O 0.04673629573084 0.95326370426916 0.59336063226724 15.999 6 O 0.45438947256502 0.54561052743498 0.07368405184478 15.999 7 O 0.54561052743498 0.45438947256502 0.57368405184478 15.999 8 O 0.66822165490840 0.33177834509160 0.36561023653464 15.999 9 O 0.33177834509160 0.66822165490840 0.86561023653464 15.999 10 O 0.83763700086790 0.74274242024372 0.28725562191005 15.999 11 O 0.80852309068971 0.19147690931029 0.93558391203292 15.999 12 O 0.64716241525763 0.35283758474237 0.03583843871660 15.999 13 O 0.74274242024372 0.83763700086790 0.78725562191005 15.999 14 O 0.25725757975628 0.16236299913210 0.28725562191005 15.999 15 O 0.16236299913210 0.25725757975628 0.78725562191005 15.999 16 O 0.44771147666553 0.06686974844922 0.69875403389712 15.999 17 O 0.06686974844922 0.44771147666552 0.19875403389712 15.999 18 O 0.55228852333447 0.93313025155078 0.19875403389712 15.999 19 O 0.93313025155078 0.55228852333448 0.69875403389712 15.999 20 O 0.35283758474237 0.64716241525763 0.53583843871660 15.999 21 Al 0.36751665310586 0.13614724223746 0.49971299978262 26.982 22 Al 0.29740271428823 0.70259728571177 0.33230817793106 26.982 23 Al 0.70259728571177 0.29740271428823 0.83230817793107 26.982 24 Al 0.55667116143282 0.44332883856718 0.18644004668081 26.982 25 Al 0.44332883856718 0.55667116143282 0.68644004668081 26.982 26 Al 0.74440520750740 0.25559479249260 0.18183165447669 26.982 27 Al 0.25559479249260 0.74440520750740 0.68183165447669 26.982 28 Al 0.13614724223746 0.36751665310586 0.99971299978262 26.982 29 Al 0.86385275776254 0.63248334689414 0.49971299978262 26.982 30 Al 0.63248334689414 0.86385275776254 0.99971299978262 26.982 -------------------------------- supercell --------------------------------- Lattice vectors: a 11.418583079999999 0.000000000000000 0.000000000000000 b 0.000000000000000 15.016697150000001 0.000000000000000 c 0.000000000000000 0.000000000000000 7.711771060000000 Atomic positions (fractional): 1 B 0.25000000000000 0.51503191548690 0.72269751833563 10.811 > 1 2 B 0.75000000000000 0.51503191548690 0.72269751833563 10.811 > 1 3 B 0.00000000000000 0.98496808451310 0.22269751833563 10.811 > 3 4 B 0.50000000000000 0.98496808451310 0.22269751833563 10.811 > 3 5 B 0.00000000000000 0.01503191548690 0.72269751833563 10.811 > 1 6 B 0.50000000000000 0.01503191548690 0.72269751833563 10.811 > 1 7 B 0.25000000000000 0.48496808451310 0.22269751833563 10.811 > 3 8 B 0.75000000000000 0.48496808451310 0.22269751833563 10.811 > 3 9 O 0.00000000000000 0.80852309068971 0.43558391203292 15.999 > 9 10 O 0.50000000000000 0.80852309068971 0.43558391203292 15.999 > 9 11 O 0.25000000000000 0.54673629573084 0.09336063226724 15.999 > 11 12 O 0.75000000000000 0.54673629573084 0.09336063226724 15.999 > 11 13 O 0.00000000000000 0.95326370426916 0.59336063226724 15.999 > 13 14 O 0.50000000000000 0.95326370426916 0.59336063226724 15.999 > 13 15 O 0.00000000000000 0.54561052743498 0.07368405184478 15.999 > 15 16 O 0.50000000000000 0.54561052743498 0.07368405184478 15.999 > 15 17 O 0.25000000000000 0.95438947256502 0.57368405184478 15.999 > 17 18 O 0.75000000000000 0.95438947256502 0.57368405184478 15.999 > 17 19 O 0.25000000000000 0.83177834509160 0.36561023653464 15.999 > 19 20 O 0.75000000000000 0.83177834509160 0.36561023653464 15.999 > 19 21 O 0.00000000000000 0.66822165490840 0.86561023653464 15.999 > 21 22 O 0.50000000000000 0.66822165490840 0.86561023653464 15.999 > 21 23 O 0.39509485527790 0.95255270968791 0.28725562191005 15.999 > 23 24 O 0.89509485527790 0.95255270968791 0.28725562191005 15.999 > 23 25 O 0.25000000000000 0.69147690931029 0.93558391203292 15.999 > 25 26 O 0.75000000000000 0.69147690931029 0.93558391203292 15.999 > 25 27 O 0.25000000000000 0.85283758474237 0.03583843871660 15.999 > 27 28 O 0.75000000000000 0.85283758474237 0.03583843871660 15.999 > 27 29 O 0.14509485527790 0.54744729031209 0.78725562191005 15.999 > 29 30 O 0.64509485527790 0.54744729031209 0.78725562191005 15.999 > 29 31 O 0.10490514472210 0.95255270968791 0.28725562191005 15.999 > 31 32 O 0.60490514472210 0.95255270968791 0.28725562191005 15.999 > 31 33 O 0.35490514472210 0.54744729031209 0.78725562191005 15.999 > 33 34 O 0.85490514472210 0.54744729031209 0.78725562191005 15.999 > 33 35 O 0.12864530627869 0.80957913589185 0.69875403389712 15.999 > 35 36 O 0.62864530627868 0.80957913589185 0.69875403389712 15.999 > 35 37 O 0.37864530627868 0.69042086410815 0.19875403389712 15.999 > 37 38 O 0.87864530627868 0.69042086410815 0.19875403389712 15.999 > 37 39 O 0.12135469372131 0.69042086410815 0.19875403389712 15.999 > 39 40 O 0.62135469372132 0.69042086410815 0.19875403389712 15.999 > 39 41 O 0.37135469372132 0.80957913589185 0.69875403389712 15.999 > 41 42 O 0.87135469372132 0.80957913589185 0.69875403389712 15.999 > 41 43 O 0.00000000000000 0.64716241525763 0.53583843871660 15.999 > 43 44 O 0.50000000000000 0.64716241525763 0.53583843871660 15.999 > 43 45 O 0.25000000000000 0.30852309068971 0.43558391203292 15.999 > 9 46 O 0.75000000000000 0.30852309068971 0.43558391203292 15.999 > 9 47 O 0.00000000000000 0.04673629573084 0.09336063226724 15.999 > 11 48 O 0.50000000000000 0.04673629573084 0.09336063226724 15.999 > 11 49 O 0.25000000000000 0.45326370426916 0.59336063226724 15.999 > 13 50 O 0.75000000000000 0.45326370426916 0.59336063226724 15.999 > 13 51 O 0.25000000000000 0.04561052743498 0.07368405184478 15.999 > 15 52 O 0.75000000000000 0.04561052743498 0.07368405184478 15.999 > 15 53 O 0.00000000000000 0.45438947256502 0.57368405184478 15.999 > 17 54 O 0.50000000000000 0.45438947256502 0.57368405184478 15.999 > 17 55 O 0.00000000000000 0.33177834509160 0.36561023653464 15.999 > 19 56 O 0.50000000000000 0.33177834509160 0.36561023653464 15.999 > 19 57 O 0.25000000000000 0.16822165490840 0.86561023653464 15.999 > 21 58 O 0.75000000000000 0.16822165490840 0.86561023653464 15.999 > 21 59 O 0.14509485527790 0.45255270968791 0.28725562191005 15.999 > 23 60 O 0.64509485527790 0.45255270968791 0.28725562191005 15.999 > 23 61 O 0.00000000000000 0.19147690931029 0.93558391203292 15.999 > 25 62 O 0.50000000000000 0.19147690931029 0.93558391203292 15.999 > 25 63 O 0.00000000000000 0.35283758474237 0.03583843871660 15.999 > 27 64 O 0.50000000000000 0.35283758474237 0.03583843871660 15.999 > 27 65 O 0.39509485527790 0.04744729031209 0.78725562191005 15.999 > 29 66 O 0.89509485527790 0.04744729031209 0.78725562191005 15.999 > 29 67 O 0.35490514472210 0.45255270968791 0.28725562191005 15.999 > 31 68 O 0.85490514472210 0.45255270968791 0.28725562191005 15.999 > 31 69 O 0.10490514472210 0.04744729031209 0.78725562191005 15.999 > 33 70 O 0.60490514472210 0.04744729031209 0.78725562191005 15.999 > 33 71 O 0.37864530627868 0.30957913589184 0.69875403389712 15.999 > 35 72 O 0.87864530627868 0.30957913589184 0.69875403389712 15.999 > 35 73 O 0.12864530627869 0.19042086410816 0.19875403389712 15.999 > 37 74 O 0.62864530627868 0.19042086410816 0.19875403389712 15.999 > 37 75 O 0.37135469372132 0.19042086410816 0.19875403389712 15.999 > 39 76 O 0.87135469372132 0.19042086410816 0.19875403389712 15.999 > 39 77 O 0.12135469372131 0.30957913589184 0.69875403389712 15.999 > 41 78 O 0.62135469372132 0.30957913589184 0.69875403389712 15.999 > 41 79 O 0.25000000000000 0.14716241525763 0.53583843871660 15.999 > 43 80 O 0.75000000000000 0.14716241525763 0.53583843871660 15.999 > 43 81 Al 0.12591597383583 0.88431529456580 0.49971299978262 26.982 > 81 82 Al 0.62591597383583 0.88431529456580 0.49971299978262 26.982 > 81 83 Al 0.00000000000000 0.70259728571177 0.33230817793106 26.982 > 83 84 Al 0.50000000000000 0.70259728571177 0.33230817793106 26.982 > 83 85 Al 0.25000000000000 0.79740271428823 0.83230817793107 26.982 > 85 86 Al 0.75000000000000 0.79740271428823 0.83230817793107 26.982 > 85 87 Al 0.25000000000000 0.94332883856718 0.18644004668081 26.982 > 87 88 Al 0.75000000000000 0.94332883856718 0.18644004668081 26.982 > 87 89 Al 0.00000000000000 0.55667116143282 0.68644004668081 26.982 > 89 90 Al 0.50000000000000 0.55667116143282 0.68644004668081 26.982 > 89 91 Al 0.25000000000000 0.75559479249260 0.18183165447669 26.982 > 91 92 Al 0.75000000000000 0.75559479249260 0.18183165447669 26.982 > 91 93 Al 0.00000000000000 0.74440520750740 0.68183165447669 26.982 > 93 94 Al 0.50000000000000 0.74440520750740 0.68183165447669 26.982 > 93 95 Al 0.37591597383583 0.61568470543420 0.99971299978262 26.982 > 95 96 Al 0.87591597383583 0.61568470543420 0.99971299978262 26.982 > 95 97 Al 0.37408402616417 0.88431529456580 0.49971299978262 26.982 > 97 98 Al 0.87408402616417 0.88431529456580 0.49971299978262 26.982 > 97 99 Al 0.12408402616417 0.61568470543420 0.99971299978262 26.982 > 99 100 Al 0.62408402616417 0.61568470543420 0.99971299978262 26.982 > 99 101 Al 0.37591597383583 0.38431529456580 0.49971299978262 26.982 > 81 102 Al 0.87591597383583 0.38431529456580 0.49971299978262 26.982 > 81 103 Al 0.25000000000000 0.20259728571177 0.33230817793106 26.982 > 83 104 Al 0.75000000000000 0.20259728571177 0.33230817793106 26.982 > 83 105 Al 0.00000000000000 0.29740271428823 0.83230817793107 26.982 > 85 106 Al 0.50000000000000 0.29740271428823 0.83230817793107 26.982 > 85 107 Al 0.00000000000000 0.44332883856718 0.18644004668081 26.982 > 87 108 Al 0.50000000000000 0.44332883856718 0.18644004668081 26.982 > 87 109 Al 0.25000000000000 0.05667116143282 0.68644004668081 26.982 > 89 110 Al 0.75000000000000 0.05667116143282 0.68644004668081 26.982 > 89 111 Al 0.00000000000000 0.25559479249261 0.18183165447669 26.982 > 91 112 Al 0.50000000000000 0.25559479249261 0.18183165447669 26.982 > 91 113 Al 0.25000000000000 0.24440520750740 0.68183165447669 26.982 > 93 114 Al 0.75000000000000 0.24440520750740 0.68183165447669 26.982 > 93 115 Al 0.12591597383583 0.11568470543420 0.99971299978262 26.982 > 95 116 Al 0.62591597383583 0.11568470543420 0.99971299978262 26.982 > 95 117 Al 0.12408402616417 0.38431529456580 0.49971299978262 26.982 > 97 118 Al 0.62408402616417 0.38431529456580 0.49971299978262 26.982 > 97 119 Al 0.37408402616417 0.11568470543420 0.99971299978262 26.982 > 99 120 Al 0.87408402616417 0.11568470543420 0.99971299978262 26.982 > 99 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 2.7667858 0.0000000 0.0000000 0.0000000 2.6737371 0.0000000 0.0000000 0.0000000 2.7224024 -------------------------- Born effective charges -------------------------- 1 B 2.8942124 0.0000000 0.0000000 0.0000000 1.7581132 1.2468964 0.0000000 1.1569590 1.7942998 2 B 2.8942124 0.0000000 0.0000000 0.0000000 1.7581132 -1.2468964 0.0000000 -1.1569590 1.7942998 3 O -1.7563609 0.0000000 0.0000000 0.0000000 -2.0173208 -0.1555571 0.0000000 -0.1326714 -1.7251330 4 O -1.6246044 0.0000000 0.0000000 0.0000000 -1.8324761 0.8904424 0.0000000 0.8450945 -1.7368149 5 O -1.6246044 0.0000000 0.0000000 0.0000000 -1.8324761 -0.8904424 0.0000000 -0.8450945 -1.7368149 6 O -1.8961161 0.0000000 0.0000000 0.0000000 -1.9880422 0.3320855 0.0000000 0.4157899 -1.6206990 7 O -1.8961161 0.0000000 0.0000000 0.0000000 -1.9880422 -0.3320855 0.0000000 -0.4157899 -1.6206990 8 O -1.8004880 0.0000000 0.0000000 0.0000000 -1.7463616 -0.3107348 0.0000000 -0.3113174 -2.0049762 9 O -1.8004880 0.0000000 0.0000000 0.0000000 -1.7463616 0.3107348 0.0000000 0.3113174 -2.0049762 10 O -2.3827487 -0.4409784 0.1743352 -0.4895109 -1.3207508 0.4732641 0.1834399 0.5147208 -1.5226263 11 O -1.7563609 0.0000000 0.0000000 0.0000000 -2.0173208 0.1555571 0.0000000 0.1326714 -1.7251330 12 O -1.0627484 0.0000000 0.0000000 0.0000000 -2.0537826 -0.3237553 0.0000000 -0.2858669 -2.1591003 13 O -2.3827487 0.4409784 0.1743352 0.4895109 -1.3207508 -0.4732641 0.1834399 -0.5147208 -1.5226263 14 O -2.3827487 0.4409784 -0.1743352 0.4895109 -1.3207508 0.4732641 -0.1834399 0.5147208 -1.5226263 15 O -2.3827487 -0.4409784 -0.1743352 -0.4895109 -1.3207508 -0.4732641 -0.1834399 -0.5147208 -1.5226263 16 O -1.9521109 -0.2512831 -0.3441517 -0.2379624 -1.5612316 0.4237820 -0.3101375 0.3196323 -1.7552117 17 O -1.9521109 0.2512831 -0.3441517 0.2379624 -1.5612316 -0.4237820 -0.3101375 -0.3196323 -1.7552117 18 O -1.9521109 -0.2512831 0.3441517 -0.2379624 -1.5612316 -0.4237820 0.3101375 -0.3196323 -1.7552117 19 O -1.9521109 0.2512831 0.3441517 0.2379624 -1.5612316 0.4237820 0.3101375 0.3196323 -1.7552117 20 O -1.0627484 0.0000000 0.0000000 0.0000000 -2.0537826 0.3237553 0.0000000 0.2858669 -2.1591003 21 Al 3.0786589 0.0253075 -0.0107863 0.0521838 2.7457381 -0.1311456 -0.2393108 -0.0425187 2.8938997 22 Al 2.4535925 0.0000000 0.0000000 0.0000000 2.4033050 0.2495413 0.0000000 0.2995089 2.9402654 23 Al 2.4535925 0.0000000 0.0000000 0.0000000 2.4033050 -0.2495413 0.0000000 -0.2995089 2.9402654 24 Al 2.8515727 0.0000000 0.0000000 0.0000000 3.0062062 -0.1872235 0.0000000 -0.2737308 2.6542198 25 Al 2.8515727 0.0000000 0.0000000 0.0000000 3.0062062 0.1872235 0.0000000 0.2737308 2.6542198 26 Al 2.4533416 0.0000000 0.0000000 0.0000000 2.7428474 0.4490421 0.0000000 0.3211857 2.6258150 27 Al 2.4533416 0.0000000 0.0000000 0.0000000 2.7428474 -0.4490421 0.0000000 -0.3211857 2.6258150 28 Al 3.0786589 -0.0253075 -0.0107863 -0.0521838 2.7457381 0.1311456 -0.2393108 0.0425187 2.8938997 29 Al 3.0786589 -0.0253075 0.0107863 -0.0521838 2.7457381 -0.1311456 0.2393108 -0.0425187 2.8938997 30 Al 3.0786589 0.0253075 0.0107863 0.0521838 2.7457381 0.1311456 0.2393108 0.0425187 2.8938997 ---------------------------------------------------------------------------- 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[ 9, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 11, 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[ 15, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 19, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 23, 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[ 27, 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[ 35, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 81, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 83, 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[ 87, 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[ 91, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Expanding fc3. Symmetrizing fc3 by traditional approach (N=3). Symmetrizing fc2 by traditional approach (N=3). Max drift of fc3: -0.00000001 (zzz) -0.00000001 (zzz) -0.00000001 (zzz) fc3 was written into "fc3.hdf5". Max drift of fc2: -0.00000000 (zy) -0.00000000 (zy) 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 19:29:58]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-07 19:29:59]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: conductivity-RTA HDF5 data compression filter: gzip Crystal structure was read from "phono3py.yaml". Supercell (dim): [2 1 1] Primitive matrix: [0.5 0.5 0. ] [-0.5 0.5 0. ] [0. 0. 1.] Spacegroup: Cmc2_1 (36) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 2.854645770000000 -7.508348575000000 0.000000000000000 b 2.854645770000000 7.508348575000000 0.000000000000000 c 0.000000000000000 0.000000000000000 7.711771060000000 Atomic positions (fractional): 1 B 0.98496808451310 0.01503191548690 0.72269751833563 10.811 2 B 0.01503191548690 0.98496808451310 0.22269751833563 10.811 3 O 0.19147690931029 0.80852309068971 0.43558391203292 15.999 4 O 0.95326370426916 0.04673629573084 0.09336063226724 15.999 5 O 0.04673629573084 0.95326370426916 0.59336063226724 15.999 6 O 0.45438947256502 0.54561052743498 0.07368405184478 15.999 7 O 0.54561052743498 0.45438947256502 0.57368405184478 15.999 8 O 0.66822165490840 0.33177834509160 0.36561023653464 15.999 9 O 0.33177834509160 0.66822165490840 0.86561023653464 15.999 10 O 0.83763700086790 0.74274242024372 0.28725562191005 15.999 11 O 0.80852309068971 0.19147690931029 0.93558391203292 15.999 12 O 0.64716241525763 0.35283758474237 0.03583843871660 15.999 13 O 0.74274242024372 0.83763700086790 0.78725562191005 15.999 14 O 0.25725757975628 0.16236299913210 0.28725562191005 15.999 15 O 0.16236299913210 0.25725757975628 0.78725562191005 15.999 16 O 0.44771147666553 0.06686974844922 0.69875403389712 15.999 17 O 0.06686974844922 0.44771147666552 0.19875403389712 15.999 18 O 0.55228852333447 0.93313025155078 0.19875403389712 15.999 19 O 0.93313025155078 0.55228852333448 0.69875403389712 15.999 20 O 0.35283758474237 0.64716241525763 0.53583843871660 15.999 21 Al 0.36751665310586 0.13614724223746 0.49971299978262 26.982 22 Al 0.29740271428823 0.70259728571177 0.33230817793106 26.982 23 Al 0.70259728571177 0.29740271428823 0.83230817793107 26.982 24 Al 0.55667116143282 0.44332883856718 0.18644004668081 26.982 25 Al 0.44332883856718 0.55667116143282 0.68644004668081 26.982 26 Al 0.74440520750740 0.25559479249260 0.18183165447669 26.982 27 Al 0.25559479249260 0.74440520750740 0.68183165447669 26.982 28 Al 0.13614724223746 0.36751665310586 0.99971299978262 26.982 29 Al 0.86385275776254 0.63248334689414 0.49971299978262 26.982 30 Al 0.63248334689414 0.86385275776254 0.99971299978262 26.982 -------------------------------- supercell --------------------------------- Lattice vectors: a 11.418583079999999 0.000000000000000 0.000000000000000 b 0.000000000000000 15.016697150000001 0.000000000000000 c 0.000000000000000 0.000000000000000 7.711771060000000 Atomic positions (fractional): 1 B 0.25000000000000 0.51503191548690 0.72269751833563 10.811 > 1 2 B 0.75000000000000 0.51503191548690 0.72269751833563 10.811 > 1 3 B 0.00000000000000 0.98496808451310 0.22269751833563 10.811 > 3 4 B 0.50000000000000 0.98496808451310 0.22269751833563 10.811 > 3 5 B 0.00000000000000 0.01503191548690 0.72269751833563 10.811 > 1 6 B 0.50000000000000 0.01503191548690 0.72269751833563 10.811 > 1 7 B 0.25000000000000 0.48496808451310 0.22269751833563 10.811 > 3 8 B 0.75000000000000 0.48496808451310 0.22269751833563 10.811 > 3 9 O 0.00000000000000 0.80852309068971 0.43558391203292 15.999 > 9 10 O 0.50000000000000 0.80852309068971 0.43558391203292 15.999 > 9 11 O 0.25000000000000 0.54673629573084 0.09336063226724 15.999 > 11 12 O 0.75000000000000 0.54673629573084 0.09336063226724 15.999 > 11 13 O 0.00000000000000 0.95326370426916 0.59336063226724 15.999 > 13 14 O 0.50000000000000 0.95326370426916 0.59336063226724 15.999 > 13 15 O 0.00000000000000 0.54561052743498 0.07368405184478 15.999 > 15 16 O 0.50000000000000 0.54561052743498 0.07368405184478 15.999 > 15 17 O 0.25000000000000 0.95438947256502 0.57368405184478 15.999 > 17 18 O 0.75000000000000 0.95438947256502 0.57368405184478 15.999 > 17 19 O 0.25000000000000 0.83177834509160 0.36561023653464 15.999 > 19 20 O 0.75000000000000 0.83177834509160 0.36561023653464 15.999 > 19 21 O 0.00000000000000 0.66822165490840 0.86561023653464 15.999 > 21 22 O 0.50000000000000 0.66822165490840 0.86561023653464 15.999 > 21 23 O 0.39509485527790 0.95255270968791 0.28725562191005 15.999 > 23 24 O 0.89509485527790 0.95255270968791 0.28725562191005 15.999 > 23 25 O 0.25000000000000 0.69147690931029 0.93558391203292 15.999 > 25 26 O 0.75000000000000 0.69147690931029 0.93558391203292 15.999 > 25 27 O 0.25000000000000 0.85283758474237 0.03583843871660 15.999 > 27 28 O 0.75000000000000 0.85283758474237 0.03583843871660 15.999 > 27 29 O 0.14509485527790 0.54744729031209 0.78725562191005 15.999 > 29 30 O 0.64509485527790 0.54744729031209 0.78725562191005 15.999 > 29 31 O 0.10490514472210 0.95255270968791 0.28725562191005 15.999 > 31 32 O 0.60490514472210 0.95255270968791 0.28725562191005 15.999 > 31 33 O 0.35490514472210 0.54744729031209 0.78725562191005 15.999 > 33 34 O 0.85490514472210 0.54744729031209 0.78725562191005 15.999 > 33 35 O 0.12864530627869 0.80957913589185 0.69875403389712 15.999 > 35 36 O 0.62864530627868 0.80957913589185 0.69875403389712 15.999 > 35 37 O 0.37864530627868 0.69042086410815 0.19875403389712 15.999 > 37 38 O 0.87864530627868 0.69042086410815 0.19875403389712 15.999 > 37 39 O 0.12135469372131 0.69042086410815 0.19875403389712 15.999 > 39 40 O 0.62135469372132 0.69042086410815 0.19875403389712 15.999 > 39 41 O 0.37135469372132 0.80957913589185 0.69875403389712 15.999 > 41 42 O 0.87135469372132 0.80957913589185 0.69875403389712 15.999 > 41 43 O 0.00000000000000 0.64716241525763 0.53583843871660 15.999 > 43 44 O 0.50000000000000 0.64716241525763 0.53583843871660 15.999 > 43 45 O 0.25000000000000 0.30852309068971 0.43558391203292 15.999 > 9 46 O 0.75000000000000 0.30852309068971 0.43558391203292 15.999 > 9 47 O 0.00000000000000 0.04673629573084 0.09336063226724 15.999 > 11 48 O 0.50000000000000 0.04673629573084 0.09336063226724 15.999 > 11 49 O 0.25000000000000 0.45326370426916 0.59336063226724 15.999 > 13 50 O 0.75000000000000 0.45326370426916 0.59336063226724 15.999 > 13 51 O 0.25000000000000 0.04561052743498 0.07368405184478 15.999 > 15 52 O 0.75000000000000 0.04561052743498 0.07368405184478 15.999 > 15 53 O 0.00000000000000 0.45438947256502 0.57368405184478 15.999 > 17 54 O 0.50000000000000 0.45438947256502 0.57368405184478 15.999 > 17 55 O 0.00000000000000 0.33177834509160 0.36561023653464 15.999 > 19 56 O 0.50000000000000 0.33177834509160 0.36561023653464 15.999 > 19 57 O 0.25000000000000 0.16822165490840 0.86561023653464 15.999 > 21 58 O 0.75000000000000 0.16822165490840 0.86561023653464 15.999 > 21 59 O 0.14509485527790 0.45255270968791 0.28725562191005 15.999 > 23 60 O 0.64509485527790 0.45255270968791 0.28725562191005 15.999 > 23 61 O 0.00000000000000 0.19147690931029 0.93558391203292 15.999 > 25 62 O 0.50000000000000 0.19147690931029 0.93558391203292 15.999 > 25 63 O 0.00000000000000 0.35283758474237 0.03583843871660 15.999 > 27 64 O 0.50000000000000 0.35283758474237 0.03583843871660 15.999 > 27 65 O 0.39509485527790 0.04744729031209 0.78725562191005 15.999 > 29 66 O 0.89509485527790 0.04744729031209 0.78725562191005 15.999 > 29 67 O 0.35490514472210 0.45255270968791 0.28725562191005 15.999 > 31 68 O 0.85490514472210 0.45255270968791 0.28725562191005 15.999 > 31 69 O 0.10490514472210 0.04744729031209 0.78725562191005 15.999 > 33 70 O 0.60490514472210 0.04744729031209 0.78725562191005 15.999 > 33 71 O 0.37864530627868 0.30957913589184 0.69875403389712 15.999 > 35 72 O 0.87864530627868 0.30957913589184 0.69875403389712 15.999 > 35 73 O 0.12864530627869 0.19042086410816 0.19875403389712 15.999 > 37 74 O 0.62864530627868 0.19042086410816 0.19875403389712 15.999 > 37 75 O 0.37135469372132 0.19042086410816 0.19875403389712 15.999 > 39 76 O 0.87135469372132 0.19042086410816 0.19875403389712 15.999 > 39 77 O 0.12135469372131 0.30957913589184 0.69875403389712 15.999 > 41 78 O 0.62135469372132 0.30957913589184 0.69875403389712 15.999 > 41 79 O 0.25000000000000 0.14716241525763 0.53583843871660 15.999 > 43 80 O 0.75000000000000 0.14716241525763 0.53583843871660 15.999 > 43 81 Al 0.12591597383583 0.88431529456580 0.49971299978262 26.982 > 81 82 Al 0.62591597383583 0.88431529456580 0.49971299978262 26.982 > 81 83 Al 0.00000000000000 0.70259728571177 0.33230817793106 26.982 > 83 84 Al 0.50000000000000 0.70259728571177 0.33230817793106 26.982 > 83 85 Al 0.25000000000000 0.79740271428823 0.83230817793107 26.982 > 85 86 Al 0.75000000000000 0.79740271428823 0.83230817793107 26.982 > 85 87 Al 0.25000000000000 0.94332883856718 0.18644004668081 26.982 > 87 88 Al 0.75000000000000 0.94332883856718 0.18644004668081 26.982 > 87 89 Al 0.00000000000000 0.55667116143282 0.68644004668081 26.982 > 89 90 Al 0.50000000000000 0.55667116143282 0.68644004668081 26.982 > 89 91 Al 0.25000000000000 0.75559479249260 0.18183165447669 26.982 > 91 92 Al 0.75000000000000 0.75559479249260 0.18183165447669 26.982 > 91 93 Al 0.00000000000000 0.74440520750740 0.68183165447669 26.982 > 93 94 Al 0.50000000000000 0.74440520750740 0.68183165447669 26.982 > 93 95 Al 0.37591597383583 0.61568470543420 0.99971299978262 26.982 > 95 96 Al 0.87591597383583 0.61568470543420 0.99971299978262 26.982 > 95 97 Al 0.37408402616417 0.88431529456580 0.49971299978262 26.982 > 97 98 Al 0.87408402616417 0.88431529456580 0.49971299978262 26.982 > 97 99 Al 0.12408402616417 0.61568470543420 0.99971299978262 26.982 > 99 100 Al 0.62408402616417 0.61568470543420 0.99971299978262 26.982 > 99 101 Al 0.37591597383583 0.38431529456580 0.49971299978262 26.982 > 81 102 Al 0.87591597383583 0.38431529456580 0.49971299978262 26.982 > 81 103 Al 0.25000000000000 0.20259728571177 0.33230817793106 26.982 > 83 104 Al 0.75000000000000 0.20259728571177 0.33230817793106 26.982 > 83 105 Al 0.00000000000000 0.29740271428823 0.83230817793107 26.982 > 85 106 Al 0.50000000000000 0.29740271428823 0.83230817793107 26.982 > 85 107 Al 0.00000000000000 0.44332883856718 0.18644004668081 26.982 > 87 108 Al 0.50000000000000 0.44332883856718 0.18644004668081 26.982 > 87 109 Al 0.25000000000000 0.05667116143282 0.68644004668081 26.982 > 89 110 Al 0.75000000000000 0.05667116143282 0.68644004668081 26.982 > 89 111 Al 0.00000000000000 0.25559479249261 0.18183165447669 26.982 > 91 112 Al 0.50000000000000 0.25559479249261 0.18183165447669 26.982 > 91 113 Al 0.25000000000000 0.24440520750740 0.68183165447669 26.982 > 93 114 Al 0.75000000000000 0.24440520750740 0.68183165447669 26.982 > 93 115 Al 0.12591597383583 0.11568470543420 0.99971299978262 26.982 > 95 116 Al 0.62591597383583 0.11568470543420 0.99971299978262 26.982 > 95 117 Al 0.12408402616417 0.38431529456580 0.49971299978262 26.982 > 97 118 Al 0.62408402616417 0.38431529456580 0.49971299978262 26.982 > 97 119 Al 0.37408402616417 0.11568470543420 0.99971299978262 26.982 > 99 120 Al 0.87408402616417 0.11568470543420 0.99971299978262 26.982 > 99 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 2.7667858 0.0000000 0.0000000 0.0000000 2.6737371 0.0000000 0.0000000 0.0000000 2.7224024 -------------------------- Born effective charges -------------------------- 1 B 2.8942124 0.0000000 0.0000000 0.0000000 1.7581132 1.2468964 0.0000000 1.1569590 1.7942998 2 B 2.8942124 0.0000000 0.0000000 0.0000000 1.7581132 -1.2468964 0.0000000 -1.1569590 1.7942998 3 O -1.7563609 0.0000000 0.0000000 0.0000000 -2.0173208 -0.1555571 0.0000000 -0.1326714 -1.7251330 4 O -1.6246044 0.0000000 0.0000000 0.0000000 -1.8324761 0.8904424 0.0000000 0.8450945 -1.7368149 5 O -1.6246044 0.0000000 0.0000000 0.0000000 -1.8324761 -0.8904424 0.0000000 -0.8450945 -1.7368149 6 O -1.8961161 0.0000000 0.0000000 0.0000000 -1.9880422 0.3320855 0.0000000 0.4157899 -1.6206990 7 O -1.8961161 0.0000000 0.0000000 0.0000000 -1.9880422 -0.3320855 0.0000000 -0.4157899 -1.6206990 8 O -1.8004880 0.0000000 0.0000000 0.0000000 -1.7463616 -0.3107348 0.0000000 -0.3113174 -2.0049762 9 O -1.8004880 0.0000000 0.0000000 0.0000000 -1.7463616 0.3107348 0.0000000 0.3113174 -2.0049762 10 O -2.3827487 -0.4409784 0.1743352 -0.4895109 -1.3207508 0.4732641 0.1834399 0.5147208 -1.5226263 11 O -1.7563609 0.0000000 0.0000000 0.0000000 -2.0173208 0.1555571 0.0000000 0.1326714 -1.7251330 12 O -1.0627484 0.0000000 0.0000000 0.0000000 -2.0537826 -0.3237553 0.0000000 -0.2858669 -2.1591003 13 O -2.3827487 0.4409784 0.1743352 0.4895109 -1.3207508 -0.4732641 0.1834399 -0.5147208 -1.5226263 14 O -2.3827487 0.4409784 -0.1743352 0.4895109 -1.3207508 0.4732641 -0.1834399 0.5147208 -1.5226263 15 O -2.3827487 -0.4409784 -0.1743352 -0.4895109 -1.3207508 -0.4732641 -0.1834399 -0.5147208 -1.5226263 16 O -1.9521109 -0.2512831 -0.3441517 -0.2379624 -1.5612316 0.4237820 -0.3101375 0.3196323 -1.7552117 17 O -1.9521109 0.2512831 -0.3441517 0.2379624 -1.5612316 -0.4237820 -0.3101375 -0.3196323 -1.7552117 18 O -1.9521109 -0.2512831 0.3441517 -0.2379624 -1.5612316 -0.4237820 0.3101375 -0.3196323 -1.7552117 19 O -1.9521109 0.2512831 0.3441517 0.2379624 -1.5612316 0.4237820 0.3101375 0.3196323 -1.7552117 20 O -1.0627484 0.0000000 0.0000000 0.0000000 -2.0537826 0.3237553 0.0000000 0.2858669 -2.1591003 21 Al 3.0786589 0.0253075 -0.0107863 0.0521838 2.7457381 -0.1311456 -0.2393108 -0.0425187 2.8938997 22 Al 2.4535925 0.0000000 0.0000000 0.0000000 2.4033050 0.2495413 0.0000000 0.2995089 2.9402654 23 Al 2.4535925 0.0000000 0.0000000 0.0000000 2.4033050 -0.2495413 0.0000000 -0.2995089 2.9402654 24 Al 2.8515727 0.0000000 0.0000000 0.0000000 3.0062062 -0.1872235 0.0000000 -0.2737308 2.6542198 25 Al 2.8515727 0.0000000 0.0000000 0.0000000 3.0062062 0.1872235 0.0000000 0.2737308 2.6542198 26 Al 2.4533416 0.0000000 0.0000000 0.0000000 2.7428474 0.4490421 0.0000000 0.3211857 2.6258150 27 Al 2.4533416 0.0000000 0.0000000 0.0000000 2.7428474 -0.4490421 0.0000000 -0.3211857 2.6258150 28 Al 3.0786589 -0.0253075 -0.0107863 -0.0521838 2.7457381 0.1311456 -0.2393108 0.0425187 2.8938997 29 Al 3.0786589 -0.0253075 0.0107863 -0.0521838 2.7457381 -0.1311456 0.2393108 -0.0425187 2.8938997 30 Al 3.0786589 0.0253075 0.0107863 0.0521838 2.7457381 0.1311456 0.2393108 0.0425187 2.8938997 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: -0.00000001 (zzz) -0.00000001 (zzz) -0.00000001 (zzz) Max drift of fc2: 0.00000000 (xx) 0.00000000 (xx) --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperature: 0.0 10.0 20.0 30.0 40.0 ... 1000.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 Length for sampling mesh generation: 50.00 Generating grid system ... [ 9 9 6 ] fc3-r2q-transformation over three atoms: True --------------------------- Phonon calculations ---------------------------- Use NAC by Gonze et al. (no real space sum in current implementation) PRB 50, 13035(R) (1994), PRB 55, 10355 (1997) G-cutoff distance: 0.60, Number of G-points: 311, Lambda: 0.10 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/100) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 100 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 3.651 ( 0.000 0.000 0.000) 0.000 4.352 ( 0.000 0.000 -0.000) 0.000 5.140 ( 0.000 0.000 -0.000) 0.000 5.377 ( 0.000 0.000 0.000) 0.000 5.563 ( 0.000 0.000 -0.000) 0.000 5.936 ( 0.000 0.000 0.000) 0.000 6.000 ( 0.000 0.000 0.000) 0.000 6.004 ( 0.000 0.000 0.000) 0.000 6.444 ( 0.000 0.000 -0.000) 0.000 7.041 ( 0.000 0.000 0.000) 0.000 7.042 ( 0.000 0.000 0.000) 0.000 7.128 ( 0.000 0.000 -0.000) 0.000 7.246 ( 0.000 0.000 -0.000) 0.000 7.501 ( 0.000 0.000 0.000) 0.000 7.734 ( 0.000 0.000 0.000) 0.000 7.936 ( 0.000 0.000 0.000) 0.000 7.995 ( 0.000 0.000 0.000) 0.000 8.235 ( 0.000 0.000 0.000) 0.000 8.854 ( 0.000 0.000 -0.000) 0.000 8.877 ( 0.000 0.000 0.000) 0.000 9.118 ( 0.000 0.000 0.000) 0.000 9.354 ( 0.000 0.000 -0.000) 0.000 9.574 ( 0.000 0.000 0.000) 0.000 9.836 ( 0.000 0.000 0.000) 0.000 10.271 ( 0.000 0.000 -0.000) 0.000 10.317 ( 0.000 0.000 0.000) 0.000 10.342 ( 0.000 0.000 0.000) 0.000 10.508 ( 0.000 0.000 0.000) 0.000 10.642 ( 0.000 0.000 0.000) 0.000 11.008 ( 0.000 0.000 0.000) 0.000 11.088 ( 0.000 0.000 0.000) 0.000 11.265 ( 0.000 0.000 0.000) 0.000 12.415 ( 0.000 0.000 -0.000) 0.000 12.529 ( 0.000 0.000 0.000) 0.000 12.546 ( 0.000 0.000 0.000) 0.000 12.825 ( 0.000 0.000 -0.000) 0.000 13.154 ( 0.000 0.000 -0.000) 0.000 13.269 ( 0.000 0.000 -0.000) 0.000 13.605 ( 0.000 0.000 0.000) 0.000 13.735 ( 0.000 0.000 -0.000) 0.000 13.927 ( 0.000 0.000 0.000) 0.000 14.785 ( 0.000 0.000 0.000) 0.000 14.833 ( 0.000 0.000 0.000) 0.000 14.902 ( 0.000 0.000 -0.000) 0.000 15.064 ( 0.000 0.000 0.000) 0.000 15.285 ( 0.000 0.000 0.000) 0.000 15.373 ( 0.000 0.000 0.000) 0.000 16.012 ( 0.000 0.000 0.000) 0.000 16.050 ( 0.000 0.000 0.000) 0.000 16.802 ( 0.000 0.000 -0.000) 0.000 17.149 ( 0.000 0.000 0.000) 0.000 17.188 ( 0.000 0.000 0.000) 0.000 17.384 ( 0.000 0.000 0.000) 0.000 17.412 ( 0.000 0.000 0.000) 0.000 17.504 ( 0.000 0.000 -0.000) 0.000 17.676 ( 0.000 0.000 0.000) 0.000 18.246 ( 0.000 0.000 0.000) 0.000 18.524 ( 0.000 0.000 -0.000) 0.000 19.104 ( 0.000 0.000 0.000) 0.000 19.358 ( 0.000 0.000 -0.000) 0.000 19.680 ( 0.000 0.000 -0.000) 0.000 19.740 ( 0.000 0.000 0.000) 0.000 19.979 ( 0.000 0.000 0.000) 0.000 20.094 ( 0.000 0.000 0.000) 0.000 20.240 ( 0.000 0.000 0.000) 0.000 20.854 ( 0.000 0.000 0.000) 0.000 21.034 ( 0.000 0.000 -0.000) 0.000 21.176 ( 0.000 0.000 0.000) 0.000 21.532 ( 0.000 0.000 0.000) 0.000 22.369 ( 0.000 0.000 0.000) 0.000 22.486 ( 0.000 0.000 -0.000) 0.000 23.120 ( 0.000 0.000 -0.000) 0.000 23.309 ( 0.000 0.000 -0.000) 0.000 24.962 ( 0.000 0.000 -0.000) 0.000 25.942 ( 0.000 0.000 0.000) 0.000 26.042 ( 0.000 0.000 0.000) 0.000 26.062 ( 0.000 0.000 0.000) 0.000 26.167 ( 0.000 0.000 -0.000) 0.000 26.458 ( 0.000 0.000 0.000) 0.000 26.617 ( 0.000 0.000 -0.000) 0.000 27.679 ( 0.000 0.000 0.000) 0.000 30.008 ( 0.000 0.000 0.000) 0.000 30.020 ( 0.000 0.000 0.000) 0.000 38.101 ( 0.000 0.000 0.000) 0.000 38.156 ( 0.000 0.000 -0.000) 0.000 39.780 ( 0.000 0.000 0.000) 0.000 41.741 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/100) ======================= q-point: ( 0.11 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 164 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.063 ( 45.457 -22.530 0.000) 50.734 1.144 ( 52.205 -17.226 0.000) 54.974 2.110 ( 95.783 -24.347 0.000) 98.829 3.715 ( 5.108 -3.596 0.000) 6.246 4.365 ( -4.005 -4.980 0.000) 6.390 4.987 ( -25.284 -3.407 0.000) 25.513 5.318 ( -1.461 10.383 0.000) 10.485 5.557 ( 14.683 -3.078 0.000) 15.002 5.678 ( -6.561 -0.970 0.000) 6.632 6.068 ( 9.905 -0.639 0.000) 9.926 6.518 ( 25.550 8.004 0.000) 26.774 6.649 ( 8.330 0.601 0.000) 8.352 6.719 ( -22.123 -0.290 0.000) 22.125 6.977 ( -11.510 -1.846 0.000) 11.657 7.204 ( 3.521 -6.768 0.000) 7.629 7.413 ( 23.316 1.022 0.000) 23.338 7.707 ( 13.028 3.704 0.000) 13.545 7.859 ( 14.118 -9.277 0.000) 16.893 8.059 ( 1.884 -0.099 0.000) 1.887 8.168 ( 12.843 -0.601 0.000) 12.857 8.380 ( 12.766 0.491 0.000) 12.776 8.717 ( -9.435 3.952 0.000) 10.230 8.865 ( -3.925 -0.033 0.000) 3.925 9.019 ( -10.070 -9.523 0.000) 13.859 9.190 ( -5.341 -1.821 0.000) 5.643 9.790 ( 11.820 1.880 0.000) 11.968 9.916 ( 2.463 2.511 0.000) 3.517 9.980 ( -10.309 -2.082 0.000) 10.517 10.100 ( -12.728 0.342 0.000) 12.733 10.533 ( 7.232 1.056 0.000) 7.309 10.572 ( -1.887 5.318 0.000) 5.643 10.765 ( 14.884 1.297 0.000) 14.940 10.974 ( -0.497 5.100 0.000) 5.124 11.136 ( 2.117 -9.600 0.000) 9.830 11.563 ( 24.978 1.749 0.000) 25.039 12.364 ( -2.003 7.865 0.000) 8.116 12.464 ( 3.906 12.205 0.000) 12.815 12.628 ( -1.252 -7.042 0.000) 7.152 12.843 ( 4.762 10.870 0.000) 11.868 13.177 ( -2.270 1.137 0.000) 2.538 13.246 ( 0.521 -11.331 0.000) 11.343 13.603 ( 2.929 -6.649 0.000) 7.266 13.947 ( 13.612 13.270 0.000) 19.010 14.200 ( 10.085 -16.906 0.000) 19.686 14.675 ( -15.761 9.708 0.000) 18.511 14.749 ( -9.900 1.812 0.000) 10.064 15.003 ( -5.594 -1.670 0.000) 5.838 15.107 ( -2.238 12.075 0.000) 12.280 15.207 ( -2.084 8.094 0.000) 8.358 15.477 ( -17.349 -28.786 0.000) 33.610 15.999 ( -1.756 2.854 0.000) 3.351 16.086 ( -6.662 -13.128 0.000) 14.722 16.695 ( -21.806 2.635 0.000) 21.964 16.804 ( -6.603 -4.584 0.000) 8.038 17.213 ( 2.049 -5.614 0.000) 5.977 17.369 ( -0.965 3.656 0.000) 3.781 17.536 ( -7.378 -3.384 0.000) 8.117 17.794 ( 7.784 -4.149 0.000) 8.820 18.152 ( -5.218 1.110 0.000) 5.335 18.343 ( -16.962 -0.887 0.000) 16.986 18.994 ( -10.356 2.384 0.000) 10.627 19.299 ( -4.796 -1.740 0.000) 5.102 19.410 ( 4.937 29.084 0.000) 29.500 19.722 ( 1.779 -8.624 0.000) 8.806 20.112 ( 8.205 5.493 0.000) 9.873 20.129 ( 4.189 8.390 0.000) 9.378 20.230 ( 0.519 -4.985 0.000) 5.012 20.583 ( 11.629 38.593 0.000) 40.307 20.948 ( 9.963 11.228 0.000) 15.011 21.127 ( 0.272 -1.886 0.000) 1.906 21.310 ( 0.995 12.879 0.000) 12.917 21.653 ( 7.465 -4.327 0.000) 8.629 22.336 ( -4.939 7.624 0.000) 9.083 22.515 ( -6.838 -16.214 0.000) 17.597 23.314 ( -2.721 -7.425 0.000) 7.908 23.511 ( -26.254 -76.938 0.000) 81.294 24.970 ( 0.629 -0.346 0.000) 0.718 25.864 ( -6.046 2.784 0.000) 6.656 26.073 ( 2.409 0.401 0.000) 2.442 26.179 ( -0.642 -3.139 0.000) 3.204 26.469 ( 2.796 3.106 0.000) 4.179 26.602 ( -1.389 -0.909 0.000) 1.659 27.668 ( 0.188 2.910 0.000) 2.916 27.844 ( 7.792 13.163 0.000) 15.297 30.035 ( 2.127 0.266 0.000) 2.144 30.053 ( 3.180 -0.780 0.000) 3.274 38.187 ( 8.439 0.006 0.000) 8.439 39.762 ( -1.457 0.747 0.000) 1.637 39.890 ( 28.607 66.747 0.000) 72.619 41.866 ( -20.319 -36.248 0.000) 41.555 ======================= Grid point 2 (3/100) ======================= q-point: ( 0.22 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 164 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.080 ( 43.038 -17.753 0.000) 46.555 2.279 ( 51.542 -14.968 0.000) 53.672 3.859 ( 17.356 -12.220 0.000) 21.226 3.983 ( 59.799 -15.433 0.000) 61.759 4.318 ( -1.663 2.164 0.000) 2.729 4.541 ( -19.034 -4.435 0.000) 19.544 5.217 ( 0.731 7.770 0.000) 7.804 5.697 ( 14.241 3.234 0.000) 14.604 5.966 ( 10.237 -1.424 0.000) 10.335 6.257 ( -19.117 -4.653 0.000) 19.675 6.368 ( 6.909 -0.103 0.000) 6.910 6.536 ( 6.415 5.951 0.000) 8.750 6.727 ( 0.105 6.309 0.000) 6.310 7.135 ( 17.881 -4.680 0.000) 18.484 7.370 ( 10.440 -4.701 0.000) 11.450 7.756 ( -1.013 7.188 0.000) 7.259 7.874 ( -0.796 -4.401 0.000) 4.472 8.033 ( 1.043 10.461 0.000) 10.513 8.156 ( 7.080 -1.584 0.000) 7.255 8.227 ( -1.333 -2.576 0.000) 2.901 8.485 ( 13.219 6.168 0.000) 14.587 8.800 ( -0.371 0.331 0.000) 0.497 8.885 ( 16.735 -10.493 0.000) 19.752 9.018 ( 1.613 -11.736 0.000) 11.846 9.387 ( 21.466 -1.413 0.000) 21.512 9.652 ( -6.471 2.305 0.000) 6.869 9.835 ( -8.560 5.383 0.000) 10.112 9.995 ( 0.938 0.062 0.000) 0.940 10.144 ( 8.118 -6.195 0.000) 10.212 10.461 ( -2.024 3.928 0.000) 4.419 10.708 ( 12.634 5.913 0.000) 13.949 10.944 ( 3.031 5.294 0.000) 6.101 11.006 ( 14.601 4.556 0.000) 15.295 11.335 ( 7.883 -12.957 0.000) 15.167 11.970 ( 11.859 3.232 0.000) 12.291 12.308 ( 5.594 7.518 0.000) 9.371 12.559 ( 11.462 6.894 0.000) 13.375 12.604 ( 8.407 17.249 0.000) 19.189 12.844 ( 1.097 7.244 0.000) 7.327 13.231 ( 8.570 -2.660 0.000) 8.973 13.396 ( 2.591 -7.020 0.000) 7.483 13.812 ( 9.164 -9.867 0.000) 13.466 13.985 ( -14.649 10.884 0.000) 18.250 14.170 ( -13.494 6.381 0.000) 14.927 14.383 ( -3.281 -9.299 0.000) 9.861 14.574 ( -11.249 -4.156 0.000) 11.992 14.841 ( -10.194 11.599 0.000) 15.442 14.896 ( -2.861 -1.474 0.000) 3.218 15.171 ( -0.828 1.898 0.000) 2.071 15.341 ( -11.143 -13.498 0.000) 17.503 15.809 ( -14.465 -0.745 0.000) 14.484 16.018 ( -5.593 -6.531 0.000) 8.599 16.470 ( -5.533 -6.236 0.000) 8.336 16.695 ( -7.680 -4.471 0.000) 8.887 17.241 ( -13.905 -0.000 0.000) 13.905 17.272 ( -7.891 1.893 0.000) 8.115 17.415 ( 1.827 -8.983 0.000) 9.167 17.745 ( -14.469 -3.842 0.000) 14.971 17.902 ( -18.918 3.283 0.000) 19.201 18.145 ( -1.836 -2.471 0.000) 3.079 18.699 ( -15.865 3.260 0.000) 16.196 19.213 ( -4.854 1.164 0.000) 4.991 19.334 ( 3.047 11.121 0.000) 11.531 19.836 ( 3.516 -4.022 0.000) 5.342 20.029 ( -4.364 6.776 0.000) 8.060 20.196 ( 3.594 2.991 0.000) 4.676 20.338 ( 4.516 1.246 0.000) 4.685 20.550 ( 5.925 20.444 0.000) 21.285 20.956 ( -4.081 2.144 0.000) 4.609 21.164 ( 2.890 -3.568 0.000) 4.592 21.345 ( 9.684 7.209 0.000) 12.073 21.835 ( 7.768 -3.961 0.000) 8.720 22.191 ( -5.143 3.823 0.000) 6.408 22.455 ( -7.696 -7.082 0.000) 10.459 23.296 ( -6.152 -11.107 0.000) 12.697 23.610 ( -4.737 -30.618 0.000) 30.982 24.985 ( 0.479 -0.248 0.000) 0.539 25.683 ( -9.912 2.924 0.000) 10.335 26.118 ( 2.579 0.682 0.000) 2.667 26.161 ( -2.950 -1.394 0.000) 3.263 26.533 ( 5.743 2.552 0.000) 6.285 26.600 ( 0.905 -0.385 0.000) 0.983 27.651 ( 1.252 4.591 0.000) 4.759 27.916 ( 5.799 4.248 0.000) 7.188 30.084 ( 2.966 -0.080 0.000) 2.967 30.145 ( 5.655 0.702 0.000) 5.699 38.401 ( 12.564 0.115 0.000) 12.565 39.718 ( -2.551 0.022 0.000) 2.551 39.972 ( 15.621 28.449 0.000) 32.455 41.696 ( -15.974 -15.156 0.000) 22.020 ======================= Grid point 3 (4/100) ======================= q-point: ( 0.33 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 164 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.959 ( 35.554 -9.263 0.000) 36.741 3.328 ( 44.902 -9.829 0.000) 45.965 4.040 ( 5.205 -2.509 0.000) 5.778 4.234 ( -8.367 -6.862 0.000) 10.820 4.387 ( 1.372 1.828 0.000) 2.286 4.869 ( 17.017 -14.518 0.000) 22.368 5.272 ( 3.905 0.188 0.000) 3.910 5.697 ( -18.696 5.850 0.000) 19.590 6.029 ( -11.378 0.815 0.000) 11.407 6.256 ( 12.998 4.212 0.000) 13.663 6.335 ( 14.505 -3.805 0.000) 14.996 6.693 ( 8.368 1.539 0.000) 8.508 7.043 ( 2.381 3.606 0.000) 4.321 7.283 ( -1.697 0.837 0.000) 1.892 7.488 ( -2.000 3.231 0.000) 3.800 7.668 ( 17.270 1.631 0.000) 17.346 7.721 ( 11.007 0.470 0.000) 11.017 8.157 ( 4.124 -7.488 0.000) 8.549 8.176 ( -0.858 1.587 0.000) 1.804 8.415 ( 9.635 -5.604 0.000) 11.146 8.750 ( 11.819 1.173 0.000) 11.877 8.822 ( 4.079 3.885 0.000) 5.633 9.099 ( 3.181 -8.518 0.000) 9.093 9.292 ( 7.963 -5.643 0.000) 9.760 9.467 ( -3.365 1.681 0.000) 3.762 9.676 ( 0.880 -1.790 0.000) 1.995 9.943 ( 5.713 -0.782 0.000) 5.766 9.984 ( 13.131 3.535 0.000) 13.599 10.212 ( -3.757 -6.422 0.000) 7.440 10.493 ( 6.506 0.317 0.000) 6.513 10.938 ( 9.746 4.678 0.000) 10.810 11.096 ( 22.012 10.752 0.000) 24.498 11.296 ( 14.565 5.156 0.000) 15.451 11.634 ( 12.903 -8.050 0.000) 15.208 12.020 ( 5.195 1.412 0.000) 5.384 12.348 ( -14.990 -1.791 0.000) 15.097 12.493 ( -3.361 6.841 0.000) 7.622 12.805 ( 5.352 14.921 0.000) 15.852 12.863 ( 6.237 13.732 0.000) 15.082 13.115 ( -2.948 18.009 0.000) 18.249 13.452 ( 5.102 1.365 0.000) 5.281 13.770 ( 2.668 -5.157 0.000) 5.806 13.914 ( -8.157 -4.737 0.000) 9.432 14.064 ( 0.652 1.448 0.000) 1.588 14.239 ( -18.170 -22.269 0.000) 28.741 14.446 ( 1.477 0.395 0.000) 1.529 14.613 ( -3.046 3.822 0.000) 4.888 14.985 ( 1.324 0.184 0.000) 1.337 15.096 ( 2.960 3.762 0.000) 4.787 15.363 ( 2.154 -0.780 0.000) 2.291 15.627 ( -6.096 -10.474 0.000) 12.119 15.924 ( -9.167 -10.138 0.000) 13.668 16.338 ( -10.801 0.439 0.000) 10.810 16.656 ( -0.687 -2.420 0.000) 2.515 16.858 ( -21.087 -2.114 0.000) 21.193 17.037 ( -16.247 -1.742 0.000) 16.340 17.300 ( -16.941 3.056 0.000) 17.214 17.385 ( -21.694 -2.092 0.000) 21.794 17.828 ( 7.358 -8.420 0.000) 11.182 18.126 ( -1.552 -0.342 0.000) 1.589 18.418 ( -9.305 -0.313 0.000) 9.311 19.082 ( -6.675 4.405 0.000) 7.997 19.326 ( 2.157 7.899 0.000) 8.188 19.865 ( -2.165 0.223 0.000) 2.177 19.959 ( 1.826 1.803 0.000) 2.566 20.178 ( -2.753 3.995 0.000) 4.851 20.350 ( -2.749 2.197 0.000) 3.519 20.489 ( 3.422 14.605 0.000) 15.001 20.910 ( -0.782 -4.973 0.000) 5.034 21.240 ( 0.531 -4.909 0.000) 4.938 21.509 ( 12.090 8.163 0.000) 14.587 22.008 ( 7.421 -1.820 0.000) 7.641 22.074 ( -8.002 -5.024 0.000) 9.449 22.351 ( -4.355 0.670 0.000) 4.406 23.249 ( -5.415 -7.504 0.000) 9.254 23.755 ( 1.287 -15.432 0.000) 15.486 24.993 ( 0.289 -0.362 0.000) 0.464 25.461 ( -9.965 2.596 0.000) 10.298 26.104 ( -2.637 0.522 0.000) 2.688 26.158 ( 1.885 0.753 0.000) 2.030 26.630 ( 4.602 0.595 0.000) 4.640 26.636 ( 2.773 0.640 0.000) 2.846 27.656 ( 2.418 4.021 0.000) 4.692 27.992 ( 3.590 0.517 0.000) 3.627 30.144 ( 2.901 -0.020 0.000) 2.901 30.245 ( 4.777 0.949 0.000) 4.871 38.636 ( 10.846 0.215 0.000) 10.849 39.670 ( -2.300 -0.199 0.000) 2.309 40.063 ( 9.258 13.481 0.000) 16.354 41.499 ( -11.940 -7.083 0.000) 13.883 ======================= Grid point 4 (5/100) ======================= q-point: ( 0.44 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 164 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.528 ( 17.142 0.082 0.000) 17.142 3.999 ( 13.437 -1.304 0.000) 13.501 4.078 ( -3.422 -1.315 0.000) 3.665 4.224 ( 3.837 -5.815 0.000) 6.967 4.508 ( 11.797 -1.933 0.000) 11.954 5.174 ( -3.710 -8.478 0.000) 9.254 5.289 ( 0.062 -7.555 0.000) 7.555 5.374 ( -2.703 13.523 0.000) 13.791 5.826 ( -1.858 -11.262 0.000) 11.415 6.359 ( -13.722 15.218 0.000) 20.491 6.454 ( -1.990 3.654 0.000) 4.161 6.550 ( 7.450 0.343 0.000) 7.457 6.909 ( -6.479 2.753 0.000) 7.040 7.016 ( -11.993 -1.361 0.000) 12.070 7.813 ( 12.784 -0.444 0.000) 12.792 8.010 ( 0.570 0.947 0.000) 1.106 8.057 ( 22.753 4.813 0.000) 23.257 8.240 ( -0.021 -6.856 0.000) 6.856 8.369 ( 11.347 -9.344 0.000) 14.699 8.549 ( 5.589 -1.909 0.000) 5.906 8.847 ( 2.960 7.801 0.000) 8.344 8.892 ( 1.283 -1.487 0.000) 1.964 9.063 ( -8.657 -1.682 0.000) 8.819 9.384 ( -3.296 -0.642 0.000) 3.358 9.547 ( 10.401 2.417 0.000) 10.678 9.803 ( 15.512 -13.459 0.000) 20.537 10.099 ( 11.236 0.588 0.000) 11.251 10.133 ( 1.937 -1.501 0.000) 2.451 10.222 ( 0.222 -3.332 0.000) 3.340 10.705 ( 10.200 -9.565 0.000) 13.983 10.963 ( -3.158 9.767 0.000) 10.264 11.174 ( -39.686 17.597 0.000) 43.412 11.405 ( 2.965 5.685 0.000) 6.411 11.617 ( 26.961 0.976 0.000) 26.979 12.163 ( 9.255 0.598 0.000) 9.275 12.282 ( -16.228 4.373 0.000) 16.807 12.386 ( -11.356 3.151 0.000) 11.785 12.496 ( 12.802 -5.159 0.000) 13.802 12.995 ( 5.224 -2.061 0.000) 5.616 13.243 ( 5.747 13.101 0.000) 14.306 13.351 ( -9.252 -4.040 0.000) 10.095 13.741 ( 3.209 5.787 0.000) 6.617 13.933 ( 3.423 -4.648 0.000) 5.772 14.105 ( 0.529 1.234 0.000) 1.343 14.147 ( -3.703 -6.628 0.000) 7.592 14.495 ( 1.140 -1.618 0.000) 1.979 14.718 ( 8.811 -4.792 0.000) 10.030 14.891 ( -8.633 5.672 0.000) 10.329 15.156 ( -3.639 -7.544 0.000) 8.375 15.302 ( 4.592 5.650 0.000) 7.281 15.735 ( 2.497 -4.280 0.000) 4.954 15.966 ( 5.906 -6.881 0.000) 9.068 16.116 ( -6.407 3.465 0.000) 7.284 16.480 ( -8.856 4.678 0.000) 10.015 16.669 ( -9.859 -4.301 0.000) 10.757 16.717 ( -12.734 -5.183 0.000) 13.748 16.964 ( -10.512 1.778 0.000) 10.661 17.105 ( -6.040 0.901 0.000) 6.107 17.966 ( 1.867 -0.749 0.000) 2.012 18.092 ( -1.909 -0.684 0.000) 2.028 18.423 ( 4.591 -6.680 0.000) 8.106 18.898 ( -6.639 5.645 0.000) 8.715 19.291 ( -0.079 4.636 0.000) 4.637 19.830 ( -0.609 0.775 0.000) 0.986 20.019 ( 4.077 0.305 0.000) 4.089 20.108 ( -0.757 -0.405 0.000) 0.859 20.212 ( -7.333 3.026 0.000) 7.933 20.491 ( 2.152 3.710 0.000) 4.289 20.952 ( 1.003 -2.307 0.000) 2.515 21.257 ( -0.788 -1.931 0.000) 2.086 21.676 ( 9.981 6.955 0.000) 12.165 21.936 ( -9.506 -6.864 0.000) 11.725 22.130 ( 3.388 -0.270 0.000) 3.398 22.300 ( -0.387 1.204 0.000) 1.264 23.209 ( -2.173 -2.498 0.000) 3.311 23.860 ( 1.158 -5.037 0.000) 5.168 25.007 ( 0.635 -0.618 0.000) 0.886 25.291 ( -4.816 1.569 0.000) 5.065 26.065 ( -0.912 0.419 0.000) 1.004 26.178 ( 0.629 0.344 0.000) 0.716 26.671 ( 1.216 0.308 0.000) 1.255 26.697 ( 1.850 0.100 0.000) 1.853 27.675 ( 1.301 1.583 0.000) 2.049 28.039 ( 1.176 -0.250 0.000) 1.202 30.186 ( 1.213 0.007 0.000) 1.213 30.306 ( 1.831 0.426 0.000) 1.880 38.788 ( 4.276 0.119 0.000) 4.278 39.638 ( -0.907 -0.107 0.000) 0.913 40.120 ( 3.135 4.055 0.000) 5.125 41.366 ( -4.554 -2.130 0.000) 5.027 ======================= Grid point 10 (6/100) ======================= q-point: ( 0.11 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.940 ( 48.901 0.000 0.000) 48.901 2.164 ( 55.452 0.000 0.000) 55.452 3.721 ( 50.069 0.000 0.000) 50.069 3.905 ( 33.492 0.000 0.000) 33.492 4.332 ( -0.698 -0.000 0.000) 0.698 4.498 ( -19.424 -0.000 0.000) 19.424 5.279 ( -2.109 -0.000 0.000) 2.109 5.721 ( 15.569 0.000 0.000) 15.569 5.957 ( 16.400 0.000 0.000) 16.400 6.212 ( -26.368 -0.000 0.000) 26.368 6.371 ( 9.155 0.000 0.000) 9.155 6.588 ( 2.371 0.000 0.000) 2.371 6.785 ( -2.418 -0.000 0.000) 2.418 7.091 ( 19.931 0.000 0.000) 19.931 7.325 ( 12.188 0.000 0.000) 12.188 7.807 ( 7.087 0.000 0.000) 7.087 7.845 ( -4.212 -0.000 0.000) 4.212 8.119 ( -5.542 -0.000 0.000) 5.542 8.142 ( 6.079 0.000 0.000) 6.079 8.201 ( 10.256 0.000 0.000) 10.256 8.643 ( 2.391 0.000 0.000) 2.391 8.651 ( 5.843 0.000 0.000) 5.843 8.861 ( 10.477 0.000 0.000) 10.477 8.917 ( 6.572 0.000 0.000) 6.572 9.379 ( 23.637 0.000 0.000) 23.637 9.651 ( -12.297 -0.000 0.000) 12.297 9.889 ( -6.577 -0.000 0.000) 6.577 10.028 ( -0.610 -0.000 0.000) 0.610 10.062 ( 11.359 0.000 0.000) 11.359 10.489 ( -1.954 -0.000 0.000) 1.954 10.767 ( 11.136 0.000 0.000) 11.136 10.973 ( 9.049 0.000 0.000) 9.049 11.083 ( 9.077 0.000 0.000) 9.077 11.196 ( 8.330 0.000 0.000) 8.330 11.989 ( 11.832 0.000 0.000) 11.832 12.365 ( -0.452 -0.000 0.000) 0.452 12.560 ( 4.914 0.000 0.000) 4.914 12.807 ( 17.709 0.000 0.000) 17.709 12.958 ( 2.846 0.000 0.000) 2.846 13.147 ( 8.094 0.000 0.000) 8.094 13.364 ( 9.200 0.000 0.000) 9.200 13.701 ( 8.231 0.000 0.000) 8.231 14.156 ( -5.550 -0.000 0.000) 5.550 14.207 ( -18.208 -0.000 0.000) 18.208 14.224 ( -13.215 -0.000 0.000) 13.215 14.544 ( -13.131 -0.000 0.000) 13.131 14.893 ( -0.238 -0.000 0.000) 0.238 15.050 ( -9.202 -0.000 0.000) 9.202 15.106 ( -7.720 -0.000 0.000) 7.720 15.189 ( -4.338 -0.000 0.000) 4.338 15.846 ( -11.409 -0.000 0.000) 11.409 15.942 ( -9.104 -0.000 0.000) 9.104 16.419 ( -3.424 -0.000 0.000) 3.424 16.653 ( -8.074 -0.000 0.000) 8.074 17.264 ( -18.123 -0.000 0.000) 18.123 17.285 ( -6.436 -0.000 0.000) 6.436 17.327 ( 7.157 0.000 0.000) 7.157 17.714 ( -14.466 -0.000 0.000) 14.466 17.935 ( -21.817 -0.000 0.000) 21.817 18.118 ( 0.458 0.000 0.000) 0.458 18.724 ( -16.744 -0.000 0.000) 16.744 19.212 ( -4.087 -0.000 0.000) 4.087 19.430 ( -2.017 -0.000 0.000) 2.017 19.799 ( 5.226 0.000 0.000) 5.226 20.082 ( -6.720 -0.000 0.000) 6.720 20.212 ( 2.893 0.000 0.000) 2.893 20.340 ( 5.324 0.000 0.000) 5.324 20.735 ( 4.546 0.000 0.000) 4.546 21.042 ( -12.103 -0.000 0.000) 12.103 21.075 ( 2.316 0.000 0.000) 2.316 21.562 ( 10.234 0.000 0.000) 10.234 21.693 ( 6.913 0.000 0.000) 6.913 22.238 ( -10.900 -0.000 0.000) 10.900 22.372 ( -0.047 -0.000 0.000) 0.047 23.061 ( -2.398 -0.000 0.000) 2.398 23.466 ( 8.009 0.000 0.000) 8.009 24.985 ( 0.723 0.000 0.000) 0.723 25.705 ( -10.668 -0.000 0.000) 10.668 26.124 ( 2.501 0.000 0.000) 2.501 26.148 ( -1.663 -0.000 0.000) 1.663 26.558 ( 4.797 0.000 0.000) 4.797 26.592 ( 1.148 0.000 0.000) 1.148 27.685 ( 1.189 0.000 0.000) 1.189 27.953 ( 2.395 0.000 0.000) 2.395 30.083 ( 2.992 0.000 0.000) 2.992 30.151 ( 5.832 0.000 0.000) 5.832 38.402 ( 12.603 0.000 0.000) 12.603 39.715 ( -2.748 -0.000 0.000) 2.748 40.241 ( 1.923 0.000 0.000) 1.923 41.543 ( -8.400 -0.000 0.000) 8.400 ======================= Grid point 11 (7/100) ======================= q-point: ( 0.22 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 164 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.866 ( 43.115 -3.096 0.000) 43.226 3.223 ( 50.129 -3.860 0.000) 50.277 4.017 ( 8.970 -0.645 0.000) 8.993 4.159 ( -11.743 -2.826 0.000) 12.078 4.410 ( 4.067 1.247 0.000) 4.253 4.675 ( 16.575 -8.544 0.000) 18.647 5.300 ( 0.140 2.006 0.000) 2.011 5.751 ( -16.713 1.433 0.000) 16.775 6.054 ( -19.476 1.677 0.000) 19.548 6.203 ( 6.622 -3.989 0.000) 7.731 6.389 ( 42.716 3.936 0.000) 42.897 6.699 ( 0.342 -0.345 0.000) 0.486 7.072 ( 6.848 0.365 0.000) 6.858 7.248 ( -5.022 -1.851 0.000) 5.353 7.576 ( 9.313 5.242 0.000) 10.687 7.668 ( 6.490 -1.626 0.000) 6.691 7.758 ( 7.585 2.947 0.000) 8.138 8.036 ( -5.082 -4.933 0.000) 7.082 8.255 ( 1.921 5.845 0.000) 6.152 8.338 ( 5.758 -4.913 0.000) 7.569 8.733 ( 6.012 -1.664 0.000) 6.238 8.839 ( 12.623 -2.911 0.000) 12.954 9.088 ( 11.719 7.738 0.000) 14.043 9.212 ( 11.368 -6.264 0.000) 12.979 9.466 ( -6.981 -1.310 0.000) 7.103 9.621 ( 0.000 -3.128 0.000) 3.128 9.954 ( 4.275 2.092 0.000) 4.760 9.992 ( 6.446 -2.182 0.000) 6.806 10.191 ( 0.372 1.440 0.000) 1.488 10.502 ( 2.815 0.343 0.000) 2.836 10.976 ( 10.020 1.114 0.000) 10.081 11.264 ( 21.077 11.958 0.000) 24.233 11.367 ( 17.270 2.997 0.000) 17.529 11.465 ( 22.577 -12.850 0.000) 25.978 12.042 ( -0.813 0.749 0.000) 1.105 12.324 ( -9.814 -0.759 0.000) 9.844 12.556 ( -6.445 1.769 0.000) 6.683 12.885 ( -3.086 3.173 0.000) 4.426 13.204 ( 8.649 19.845 0.000) 21.648 13.358 ( -3.061 11.933 0.000) 12.319 13.468 ( -0.763 0.581 0.000) 0.959 13.697 ( 1.703 -4.242 0.000) 4.571 13.823 ( -3.128 -5.540 0.000) 6.362 13.902 ( -12.249 -19.062 0.000) 22.658 14.081 ( -1.184 0.784 0.000) 1.420 14.445 ( 0.667 -0.226 0.000) 0.704 14.724 ( -10.055 10.113 0.000) 14.261 14.939 ( -3.321 -6.700 0.000) 7.478 15.176 ( 7.239 4.985 0.000) 8.790 15.273 ( 10.722 -7.854 0.000) 13.291 15.592 ( -14.263 4.483 0.000) 14.951 15.764 ( -7.491 -9.928 0.000) 12.437 16.379 ( -3.753 4.011 0.000) 5.492 16.562 ( -2.994 -6.785 0.000) 7.416 16.869 ( -20.198 1.370 0.000) 20.244 17.032 ( -16.975 0.309 0.000) 16.978 17.332 ( -19.647 0.958 0.000) 19.670 17.369 ( -14.886 -0.230 0.000) 14.888 17.728 ( 7.249 -3.958 0.000) 8.259 18.116 ( -1.140 -0.646 0.000) 1.310 18.416 ( -13.098 -0.007 0.000) 13.098 19.107 ( -7.045 0.428 0.000) 7.058 19.425 ( 2.448 3.846 0.000) 4.559 19.858 ( -0.111 -0.517 0.000) 0.528 19.986 ( -1.020 1.149 0.000) 1.536 20.219 ( -2.271 1.329 0.000) 2.632 20.372 ( -1.472 0.931 0.000) 1.742 20.695 ( -11.528 8.875 0.000) 14.548 20.879 ( 5.388 1.521 0.000) 5.598 21.139 ( 0.900 -6.641 0.000) 6.702 21.694 ( 12.625 15.238 0.000) 19.789 21.922 ( 8.099 -10.406 0.000) 13.187 22.018 ( -11.549 -2.070 0.000) 11.733 22.361 ( -1.430 0.464 0.000) 1.504 23.056 ( -3.878 -11.344 0.000) 11.989 23.658 ( 10.578 -1.150 0.000) 10.640 24.994 ( 0.306 0.205 0.000) 0.369 25.485 ( -10.835 0.689 0.000) 10.857 26.108 ( -2.217 0.089 0.000) 2.219 26.165 ( 1.614 0.202 0.000) 1.626 26.636 ( 3.031 0.160 0.000) 3.035 26.643 ( 3.518 0.253 0.000) 3.527 27.715 ( 2.711 2.903 0.000) 3.972 27.985 ( 0.901 -0.898 0.000) 1.272 30.144 ( 2.936 -0.002 0.000) 2.936 30.255 ( 4.547 0.385 0.000) 4.563 38.639 ( 10.843 0.092 0.000) 10.843 39.664 ( -2.440 -0.303 0.000) 2.459 40.235 ( 1.428 7.482 0.000) 7.617 41.404 ( -7.665 -4.361 0.000) 8.819 ======================= Grid point 12 (8/100) ======================= q-point: ( 0.33 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 164 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.546 ( 20.500 2.104 0.000) 20.608 4.001 ( 12.092 1.425 0.000) 12.175 4.090 ( 12.581 0.007 0.000) 12.581 4.142 ( 6.796 -3.295 0.000) 7.553 4.507 ( 9.233 2.681 0.000) 9.615 4.960 ( -2.961 -16.061 0.000) 16.332 5.216 ( 5.362 -4.467 0.000) 6.979 5.552 ( -8.904 9.090 0.000) 12.724 5.719 ( -5.996 -2.503 0.000) 6.497 6.322 ( -0.984 -9.034 0.000) 9.087 6.564 ( -16.402 7.860 0.000) 18.188 6.716 ( 4.827 12.526 0.000) 13.424 6.891 ( -13.503 -3.087 0.000) 13.852 7.050 ( -4.797 3.968 0.000) 6.226 7.807 ( 10.395 -0.232 0.000) 10.398 7.953 ( -2.596 -6.778 0.000) 7.258 8.117 ( 21.492 4.197 0.000) 21.898 8.198 ( 6.688 -0.601 0.000) 6.715 8.268 ( 16.884 -4.253 0.000) 17.411 8.505 ( 10.121 -3.398 0.000) 10.676 8.810 ( -0.527 -5.401 0.000) 5.426 8.957 ( -9.860 1.747 0.000) 10.013 9.145 ( 3.795 12.909 0.000) 13.455 9.376 ( -2.751 -0.221 0.000) 2.760 9.502 ( 28.355 -6.721 0.000) 29.141 9.689 ( -1.357 -3.175 0.000) 3.453 10.040 ( 2.984 -7.367 0.000) 7.948 10.140 ( 6.243 -0.792 0.000) 6.293 10.170 ( 1.453 -0.554 0.000) 1.555 10.590 ( 5.711 -4.737 0.000) 7.420 11.091 ( 2.196 6.251 0.000) 6.625 11.432 ( -11.305 10.699 0.000) 15.565 11.522 ( -23.619 13.841 0.000) 27.375 11.690 ( 19.179 7.800 0.000) 20.704 12.097 ( 0.152 -6.222 0.000) 6.224 12.246 ( 15.291 -9.121 0.000) 17.805 12.396 ( -10.825 -1.499 0.000) 10.929 12.546 ( -22.475 8.722 0.000) 24.108 12.964 ( 6.038 -1.961 0.000) 6.349 13.077 ( -24.519 -13.495 0.000) 27.987 13.535 ( 8.502 8.599 0.000) 12.093 13.805 ( -10.011 -5.702 0.000) 11.521 13.971 ( 22.963 15.878 0.000) 27.918 14.080 ( 6.119 -0.507 0.000) 6.140 14.142 ( 4.209 1.851 0.000) 4.598 14.458 ( -0.137 -1.334 0.000) 1.341 14.666 ( 8.039 -2.737 0.000) 8.492 14.950 ( -15.365 2.355 0.000) 15.545 15.002 ( 0.158 -12.712 0.000) 12.713 15.377 ( 0.903 3.669 0.000) 3.778 15.684 ( 6.558 -1.381 0.000) 6.702 15.835 ( 11.650 -9.261 0.000) 14.883 16.201 ( -7.801 7.078 0.000) 10.533 16.509 ( -11.025 -3.878 0.000) 11.687 16.603 ( 0.106 0.027 0.000) 0.109 16.699 ( -12.444 0.496 0.000) 12.454 16.999 ( -9.435 2.376 0.000) 9.730 17.114 ( -7.864 0.321 0.000) 7.871 17.955 ( 7.687 -0.593 0.000) 7.710 18.087 ( -1.646 0.024 0.000) 1.646 18.294 ( -0.330 -8.595 0.000) 8.601 18.937 ( -9.481 0.631 0.000) 9.502 19.419 ( 0.822 9.422 0.000) 9.458 19.831 ( -1.723 -0.619 0.000) 1.831 20.025 ( 4.562 0.371 0.000) 4.577 20.118 ( -5.031 1.566 0.000) 5.269 20.262 ( -6.989 4.229 0.000) 8.169 20.484 ( -7.522 -4.515 0.000) 8.773 20.983 ( 6.799 5.863 0.000) 8.978 21.202 ( 1.153 -4.979 0.000) 5.111 21.765 ( -5.970 1.167 0.000) 6.083 21.890 ( 6.197 4.593 0.000) 7.714 22.111 ( 5.061 -3.111 0.000) 5.940 22.321 ( -1.670 1.340 0.000) 2.141 23.071 ( -3.225 -12.270 0.000) 12.686 23.866 ( 10.862 3.261 0.000) 11.341 25.002 ( 0.786 -0.121 0.000) 0.795 25.304 ( -6.643 0.260 0.000) 6.648 26.070 ( -1.306 0.317 0.000) 1.344 26.180 ( 0.051 -0.033 0.000) 0.060 26.676 ( 0.952 0.355 0.000) 1.017 26.692 ( 1.181 -0.604 0.000) 1.327 27.730 ( 1.472 5.151 0.000) 5.357 28.006 ( -0.492 -3.706 0.000) 3.739 30.186 ( 1.208 0.006 0.000) 1.208 30.311 ( 1.243 0.221 0.000) 1.263 38.790 ( 4.148 0.098 0.000) 4.149 39.632 ( -1.081 -0.571 0.000) 1.223 40.188 ( -2.014 4.319 0.000) 4.766 41.331 ( -1.717 -2.311 0.000) 2.879 ======================= Grid point 13 (9/100) ======================= q-point: (-0.56 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 164 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.540 ( -13.110 1.324 0.000) 13.176 4.025 ( -12.010 1.971 0.000) 12.171 4.174 ( 8.246 11.264 0.000) 13.960 4.309 ( 3.534 6.592 0.000) 7.479 4.533 ( -10.562 0.488 0.000) 10.573 5.126 ( 12.322 -13.887 0.000) 18.565 5.209 ( -8.541 -5.040 0.000) 9.917 5.465 ( 3.622 11.036 0.000) 11.616 5.928 ( 11.029 -4.261 0.000) 11.823 6.207 ( -3.823 4.791 0.000) 6.130 6.299 ( 0.602 -12.372 0.000) 12.386 6.657 ( -4.923 7.004 0.000) 8.561 6.860 ( 0.819 -1.679 0.000) 1.869 7.036 ( 12.471 -0.933 0.000) 12.506 7.822 ( -16.691 0.830 0.000) 16.711 7.937 ( -17.301 -6.715 0.000) 18.559 8.004 ( 2.082 -1.869 0.000) 2.798 8.352 ( 0.806 6.944 0.000) 6.991 8.518 ( -11.725 8.373 0.000) 14.408 8.555 ( 3.945 -0.843 0.000) 4.034 8.751 ( -4.736 -3.029 0.000) 5.622 8.898 ( 2.197 -2.129 0.000) 3.059 9.143 ( 5.695 8.640 0.000) 10.348 9.377 ( 0.125 -2.415 0.000) 2.418 9.506 ( -5.885 -0.389 0.000) 5.898 9.966 ( -4.748 4.746 0.000) 6.714 10.085 ( -9.423 0.074 0.000) 9.424 10.156 ( -9.438 -1.438 0.000) 9.547 10.274 ( 2.114 5.511 0.000) 5.902 10.698 ( -0.867 -8.808 0.000) 8.850 10.947 ( 5.317 0.475 0.000) 5.339 11.021 ( 11.377 5.696 0.000) 12.724 11.342 ( -7.957 -3.037 0.000) 8.517 11.662 ( -23.449 6.393 0.000) 24.305 11.989 ( -2.969 -18.595 0.000) 18.830 12.288 ( 9.221 2.577 0.000) 9.574 12.330 ( -6.822 -5.176 0.000) 8.564 12.554 ( -7.666 0.460 0.000) 7.680 12.864 ( -3.067 -21.361 0.000) 21.580 13.081 ( -2.909 5.402 0.000) 6.136 13.497 ( -6.386 7.099 0.000) 9.549 13.718 ( 6.097 0.272 0.000) 6.103 13.985 ( -10.764 1.810 0.000) 10.915 14.081 ( 0.146 0.472 0.000) 0.494 14.306 ( 14.827 13.547 0.000) 20.084 14.482 ( 0.383 -4.035 0.000) 4.053 14.761 ( -4.241 -3.904 0.000) 5.765 14.828 ( 1.720 2.001 0.000) 2.639 15.181 ( -8.057 -4.281 0.000) 9.123 15.269 ( 10.037 1.459 0.000) 10.143 15.782 ( 4.275 2.090 0.000) 4.758 16.024 ( 2.810 2.108 0.000) 3.513 16.106 ( 2.278 1.305 0.000) 2.626 16.401 ( 1.669 -6.012 0.000) 6.239 16.715 ( 15.924 2.497 0.000) 16.118 16.838 ( 17.802 9.538 0.000) 20.196 16.962 ( 10.361 1.751 0.000) 10.508 17.086 ( 5.097 -1.757 0.000) 5.391 17.983 ( -0.609 2.042 0.000) 2.131 18.104 ( 3.048 0.707 0.000) 3.129 18.427 ( 0.369 -7.225 0.000) 7.234 18.790 ( -3.662 -6.268 0.000) 7.259 19.333 ( -1.056 9.038 0.000) 9.099 19.813 ( -0.890 -1.583 0.000) 1.816 20.021 ( -3.441 0.580 0.000) 3.489 20.118 ( -3.485 -0.263 0.000) 3.495 20.172 ( 7.059 -1.394 0.000) 7.195 20.397 ( -7.200 -7.948 0.000) 10.724 21.036 ( 3.647 8.034 0.000) 8.823 21.255 ( 1.416 -1.678 0.000) 2.195 21.591 ( -10.648 -5.200 0.000) 11.850 22.043 ( 10.411 6.720 0.000) 12.391 22.142 ( -1.656 1.940 0.000) 2.551 22.289 ( -0.918 -0.194 0.000) 0.939 23.127 ( 0.199 -11.014 0.000) 11.015 24.011 ( 9.961 12.607 0.000) 16.067 25.018 ( 0.569 0.853 0.000) 1.025 25.258 ( 1.932 -2.728 0.000) 3.343 26.059 ( 0.310 -0.290 0.000) 0.425 26.170 ( -1.348 -0.753 0.000) 1.544 26.667 ( -1.654 -0.227 0.000) 1.669 26.689 ( -2.306 -0.944 0.000) 2.492 27.692 ( -1.770 3.798 0.000) 4.191 28.010 ( -2.462 -4.060 0.000) 4.748 30.186 ( -1.211 -0.003 0.000) 1.211 30.299 ( -2.451 -0.456 0.000) 2.493 38.787 ( -4.423 -0.073 0.000) 4.424 39.632 ( 0.501 -0.876 0.000) 1.009 40.082 ( -7.954 -1.181 0.000) 8.042 41.388 ( 7.157 0.818 0.000) 7.204 ======================= Grid point 14 (10/100) ======================= q-point: (-0.44 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 164 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.123 ( -24.751 11.890 0.000) 27.459 3.501 ( -35.410 13.004 0.000) 37.722 4.092 ( -4.253 4.434 0.000) 6.143 4.317 ( -8.639 -0.238 0.000) 8.643 4.392 ( 9.405 7.354 0.000) 11.939 5.003 ( -13.797 2.375 0.000) 14.000 5.291 ( -1.941 -1.551 0.000) 2.485 5.637 ( 11.640 0.900 0.000) 11.675 6.019 ( 1.251 -2.457 0.000) 2.757 6.158 ( 4.420 -2.803 0.000) 5.233 6.440 ( -7.602 6.963 0.000) 10.309 6.653 ( -5.169 -3.467 0.000) 6.224 6.980 ( 6.760 -4.463 0.000) 8.100 7.192 ( -16.288 -7.511 0.000) 17.936 7.453 ( 15.908 -6.288 0.000) 17.106 7.700 ( -31.737 6.467 0.000) 32.390 7.730 ( -11.893 1.681 0.000) 12.011 8.122 ( -8.291 -1.622 0.000) 8.448 8.319 ( -0.814 9.551 0.000) 9.586 8.500 ( -12.907 5.753 0.000) 14.131 8.701 ( -2.571 -2.240 0.000) 3.410 8.816 ( -7.625 1.416 0.000) 7.755 9.210 ( 4.035 4.477 0.000) 6.028 9.390 ( 0.792 -8.872 0.000) 8.908 9.408 ( -7.143 9.855 0.000) 12.171 9.694 ( -4.158 3.117 0.000) 5.196 9.884 ( -20.951 -4.696 0.000) 21.471 10.005 ( 2.766 2.365 0.000) 3.639 10.329 ( 2.387 5.840 0.000) 6.309 10.541 ( -11.597 9.059 0.000) 14.716 10.825 ( -11.273 -9.845 0.000) 14.967 10.911 ( -17.149 -15.217 0.000) 22.927 11.277 ( -15.008 3.579 0.000) 15.429 11.650 ( -0.422 -5.162 0.000) 5.179 12.020 ( -17.069 -1.290 0.000) 17.118 12.303 ( 19.414 -9.476 0.000) 21.603 12.371 ( -8.498 -10.959 0.000) 13.868 12.502 ( -4.229 -12.669 0.000) 13.357 12.828 ( -3.259 -3.692 0.000) 4.925 12.933 ( 3.186 0.539 0.000) 3.231 13.430 ( -4.363 -1.380 0.000) 4.576 13.840 ( 1.567 3.331 0.000) 3.682 13.964 ( 8.691 0.988 0.000) 8.747 13.998 ( -5.370 -6.320 0.000) 8.294 14.411 ( -4.310 -3.372 0.000) 5.472 14.521 ( 11.522 12.770 0.000) 17.200 14.604 ( -1.466 3.049 0.000) 3.383 14.973 ( 9.500 0.601 0.000) 9.519 15.089 ( -1.352 0.998 0.000) 1.680 15.344 ( -4.282 -1.337 0.000) 4.485 15.812 ( 8.304 12.590 0.000) 15.082 16.040 ( 5.427 5.389 0.000) 7.648 16.369 ( 18.637 3.608 0.000) 18.983 16.601 ( 7.208 -7.700 0.000) 10.547 16.949 ( 15.278 8.188 0.000) 17.334 17.094 ( 13.684 5.384 0.000) 14.705 17.254 ( 19.576 -2.801 0.000) 19.776 17.437 ( 24.345 5.293 0.000) 24.913 17.937 ( -3.453 5.209 0.000) 6.249 18.133 ( -0.362 1.217 0.000) 1.270 18.417 ( 4.208 -0.938 0.000) 4.311 18.912 ( 1.966 -17.784 0.000) 17.892 19.283 ( 0.297 2.994 0.000) 3.009 19.832 ( 1.063 -3.902 0.000) 4.044 19.955 ( -2.396 1.163 0.000) 2.663 20.114 ( 0.706 -4.414 0.000) 4.470 20.270 ( -5.960 -8.511 0.000) 10.390 20.359 ( 2.953 -2.889 0.000) 4.131 21.011 ( 0.671 8.574 0.000) 8.600 21.250 ( -4.133 -2.552 0.000) 4.857 21.463 ( -4.481 -0.018 0.000) 4.481 22.010 ( -8.216 -0.693 0.000) 8.245 22.150 ( 1.597 4.980 0.000) 5.230 22.351 ( 8.838 0.825 0.000) 8.877 23.229 ( 2.705 -7.310 0.000) 7.795 24.083 ( 12.573 24.541 0.000) 27.574 25.012 ( 0.421 2.345 0.000) 2.383 25.405 ( 8.785 -5.038 0.000) 10.127 26.092 ( 2.681 -1.028 0.000) 2.871 26.141 ( -2.362 -1.512 0.000) 2.805 26.617 ( -5.647 -1.208 0.000) 5.775 26.627 ( -2.511 -0.644 0.000) 2.592 27.620 ( -3.906 -0.404 0.000) 3.927 27.961 ( -5.618 -3.731 0.000) 6.744 30.145 ( -2.820 0.056 0.000) 2.820 30.229 ( -5.009 -1.046 0.000) 5.117 38.633 ( -10.854 -0.211 0.000) 10.856 39.656 ( 0.039 -2.609 0.000) 2.609 39.894 ( -14.468 -7.875 0.000) 16.473 41.589 ( 15.139 4.765 0.000) 15.871 ======================= Grid point 15 (11/100) ======================= q-point: (-0.33 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 164 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.421 ( -31.475 26.742 0.000) 41.302 2.580 ( -42.221 24.676 0.000) 48.903 3.969 ( -7.210 4.934 0.000) 8.737 4.256 ( -0.746 -6.050 0.000) 6.096 4.382 ( -47.698 30.054 0.000) 56.377 4.594 ( 12.347 3.314 0.000) 12.784 5.087 ( -11.000 -7.622 0.000) 13.382 5.618 ( -7.820 -7.671 0.000) 10.955 6.013 ( -4.182 5.166 0.000) 6.647 6.301 ( 4.088 0.923 0.000) 4.190 6.381 ( -10.022 -0.380 0.000) 10.029 6.453 ( 1.619 -3.083 0.000) 3.482 6.646 ( -5.445 -3.487 0.000) 6.466 7.194 ( -14.032 2.616 0.000) 14.274 7.408 ( -14.738 -1.663 0.000) 14.831 7.643 ( 14.525 -5.750 0.000) 15.622 7.852 ( -6.669 -12.668 0.000) 14.316 7.942 ( 5.215 3.520 0.000) 6.292 8.188 ( -8.408 3.255 0.000) 9.016 8.261 ( 0.222 1.726 0.000) 1.740 8.457 ( -19.411 1.312 0.000) 19.455 8.785 ( 1.682 -0.206 0.000) 1.695 9.047 ( -18.243 11.727 0.000) 21.687 9.230 ( 3.424 15.074 0.000) 15.458 9.418 ( -20.546 1.570 0.000) 20.606 9.530 ( 3.800 -12.526 0.000) 13.090 9.764 ( 9.357 -5.044 0.000) 10.630 10.035 ( 0.219 4.718 0.000) 4.723 10.207 ( -13.450 0.962 0.000) 13.485 10.427 ( 3.592 3.264 0.000) 4.853 10.612 ( -10.179 -7.590 0.000) 12.697 10.844 ( -3.725 -9.369 0.000) 10.082 10.942 ( -15.966 -2.943 0.000) 16.235 11.531 ( -5.915 12.333 0.000) 13.677 11.860 ( -12.102 -12.083 0.000) 17.101 12.142 ( -23.856 -18.422 0.000) 30.141 12.208 ( -7.573 -20.855 0.000) 22.187 12.562 ( -4.387 1.888 0.000) 4.776 12.860 ( 9.628 7.120 0.000) 11.975 13.220 ( -10.264 -1.539 0.000) 10.378 13.486 ( 17.711 1.227 0.000) 17.753 13.884 ( 8.641 -3.034 0.000) 9.158 13.889 ( -10.523 -0.243 0.000) 10.525 14.079 ( 5.154 -3.792 0.000) 6.398 14.407 ( 3.028 -4.578 0.000) 5.489 14.625 ( 2.668 0.237 0.000) 2.678 14.732 ( 8.322 -2.838 0.000) 8.792 14.970 ( 3.976 6.166 0.000) 7.336 15.169 ( 1.322 3.896 0.000) 4.114 15.451 ( 19.942 3.379 0.000) 20.227 15.914 ( 9.212 10.943 0.000) 14.304 16.119 ( 8.442 7.432 0.000) 11.247 16.563 ( 4.849 4.685 0.000) 6.743 16.757 ( 9.232 3.961 0.000) 10.046 17.215 ( 6.730 -1.881 0.000) 6.988 17.315 ( 17.088 5.848 0.000) 18.061 17.558 ( 2.779 10.205 0.000) 10.577 17.812 ( 16.106 4.133 0.000) 16.628 17.870 ( 11.524 0.047 0.000) 11.525 18.161 ( 3.571 -0.810 0.000) 3.662 18.637 ( 13.151 -4.719 0.000) 13.972 19.018 ( -7.767 -22.282 0.000) 23.597 19.283 ( 2.238 2.886 0.000) 3.652 19.885 ( -4.203 -3.129 0.000) 5.240 19.909 ( 1.574 -2.785 0.000) 3.199 20.117 ( -7.156 -6.673 0.000) 9.785 20.239 ( -0.659 -8.395 0.000) 8.421 20.408 ( -1.657 -0.777 0.000) 1.830 20.965 ( -1.142 2.205 0.000) 2.483 21.164 ( -4.162 -0.778 0.000) 4.234 21.372 ( -3.266 5.959 0.000) 6.796 21.836 ( -10.285 -2.134 0.000) 10.504 22.148 ( 0.915 -1.731 0.000) 1.958 22.541 ( 11.026 4.063 0.000) 11.751 23.314 ( 1.582 -2.814 0.000) 3.228 24.196 ( 24.836 38.173 0.000) 45.541 25.006 ( 1.200 3.377 0.000) 3.584 25.623 ( 8.858 -4.934 0.000) 10.140 26.102 ( -2.559 -1.539 0.000) 2.986 26.176 ( 5.053 0.255 0.000) 5.059 26.497 ( -7.263 -1.978 0.000) 7.527 26.598 ( -0.611 -0.637 0.000) 0.883 27.559 ( -5.334 -7.211 0.000) 8.969 27.852 ( -8.137 -3.895 0.000) 9.021 30.086 ( -2.883 0.195 0.000) 2.889 30.133 ( -5.192 -0.902 0.000) 5.270 38.399 ( -12.471 -0.156 0.000) 12.472 39.537 ( -26.259 -23.371 0.000) 35.153 39.752 ( 0.190 0.266 0.000) 0.327 41.887 ( 20.634 9.774 0.000) 22.832 ======================= Grid point 16 (12/100) ======================= q-point: (-0.22 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 164 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.554 ( -31.902 39.121 0.000) 50.479 1.569 ( -35.969 36.618 0.000) 51.329 2.730 ( -70.909 53.878 0.000) 89.055 3.806 ( -4.759 7.605 0.000) 8.971 4.407 ( 9.238 0.138 0.000) 9.239 4.967 ( 13.292 -8.177 0.000) 15.606 5.079 ( 2.946 -19.684 0.000) 19.903 5.586 ( -4.681 0.117 0.000) 4.683 5.712 ( -6.102 3.600 0.000) 7.085 6.080 ( -8.616 0.814 0.000) 8.655 6.358 ( -15.977 -12.483 0.000) 20.275 6.621 ( -3.632 -2.329 0.000) 4.314 6.732 ( 15.790 1.031 0.000) 15.823 7.028 ( 4.794 5.304 0.000) 7.149 7.272 ( -4.516 -4.545 0.000) 6.407 7.385 ( -22.150 2.696 0.000) 22.313 7.675 ( -8.702 -1.532 0.000) 8.836 7.991 ( -14.245 6.562 0.000) 15.684 8.078 ( -1.922 2.755 0.000) 3.360 8.168 ( -11.434 -1.125 0.000) 11.489 8.389 ( 6.032 0.348 0.000) 6.042 8.694 ( -3.030 4.702 0.000) 5.593 8.884 ( 10.713 1.216 0.000) 10.782 9.138 ( 1.664 5.190 0.000) 5.450 9.281 ( 6.238 10.621 0.000) 12.317 9.726 ( 1.704 -8.334 0.000) 8.507 9.864 ( -16.189 -2.711 0.000) 16.415 10.005 ( 5.028 -1.695 0.000) 5.305 10.060 ( 12.705 -4.207 0.000) 13.383 10.468 ( -3.775 -2.492 0.000) 4.523 10.548 ( 0.281 -0.033 0.000) 0.283 10.685 ( -14.343 -7.712 0.000) 16.285 10.908 ( 2.189 -6.315 0.000) 6.684 11.304 ( -6.113 10.171 0.000) 11.867 11.524 ( -20.810 -1.581 0.000) 20.870 12.084 ( -4.361 -27.144 0.000) 27.492 12.325 ( 4.147 -7.888 0.000) 8.912 12.512 ( -2.893 -12.272 0.000) 12.609 12.913 ( 1.987 13.507 0.000) 13.652 13.116 ( 2.382 -2.649 0.000) 3.563 13.492 ( -1.272 15.278 0.000) 15.331 13.646 ( -8.568 -2.390 0.000) 8.895 13.878 ( -8.988 3.986 0.000) 9.832 14.418 ( 4.180 -8.542 0.000) 9.510 14.428 ( -4.377 1.033 0.000) 4.498 14.713 ( 13.072 -4.041 0.000) 13.682 14.908 ( -4.148 -8.265 0.000) 9.247 15.023 ( 8.205 -9.736 0.000) 12.732 15.252 ( 10.862 16.472 0.000) 19.731 15.782 ( 13.475 6.271 0.000) 14.863 15.992 ( 8.491 8.040 0.000) 11.694 16.318 ( 21.446 14.054 0.000) 25.641 16.678 ( 11.759 0.103 0.000) 11.760 16.868 ( 6.299 3.521 0.000) 7.216 17.277 ( -3.710 -3.422 0.000) 5.047 17.377 ( 2.324 10.925 0.000) 11.169 17.612 ( 9.044 5.840 0.000) 10.766 17.888 ( -3.094 7.385 0.000) 8.007 18.126 ( 5.582 -1.986 0.000) 5.925 18.360 ( 15.605 0.933 0.000) 15.633 18.809 ( -32.365 -37.269 0.000) 49.361 18.948 ( 3.470 -6.978 0.000) 7.793 19.344 ( 6.200 3.992 0.000) 7.374 19.795 ( -5.845 -0.969 0.000) 5.925 19.922 ( -4.750 -7.006 0.000) 8.464 20.044 ( -2.935 -5.336 0.000) 6.090 20.261 ( -6.966 -5.855 0.000) 9.100 20.297 ( -4.832 3.181 0.000) 5.785 20.909 ( -3.288 0.173 0.000) 3.293 21.149 ( 2.202 1.563 0.000) 2.700 21.285 ( -1.011 2.985 0.000) 3.151 21.647 ( -10.559 -2.515 0.000) 10.854 22.219 ( 2.704 -6.594 0.000) 7.127 22.686 ( 7.548 7.386 0.000) 10.561 23.327 ( -0.507 0.819 0.000) 0.963 24.600 ( 52.758 46.080 0.000) 70.048 25.022 ( 8.640 11.723 0.000) 14.563 25.799 ( 5.023 -5.337 0.000) 7.329 26.066 ( -2.023 -0.616 0.000) 2.115 26.247 ( 2.935 5.082 0.000) 5.869 26.398 ( -4.655 -5.578 0.000) 7.265 26.614 ( 1.781 0.451 0.000) 1.837 27.471 ( -17.897 -20.095 0.000) 26.909 27.730 ( -4.957 -1.004 0.000) 5.058 30.033 ( -2.315 0.066 0.000) 2.316 30.063 ( -1.674 0.329 0.000) 1.706 38.187 ( -8.370 -0.011 0.000) 8.370 39.026 ( -52.649 -39.185 0.000) 65.631 39.776 ( 1.666 1.086 0.000) 1.989 42.243 ( 25.278 13.839 0.000) 28.818 ======================= Grid point 17 (13/100) ======================= q-point: (-0.11 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.752 ( -0.000 50.621 0.000) 50.621 0.784 ( -0.000 52.678 0.000) 52.678 1.306 ( -0.000 86.406 0.000) 86.406 3.705 ( -0.000 6.647 0.000) 6.647 4.570 ( 0.000 -1.474 0.000) 1.474 5.041 ( 0.000 -14.002 0.000) 14.002 5.380 ( -0.000 0.633 0.000) 0.633 5.550 ( 0.000 -17.729 0.000) 17.729 5.846 ( 0.000 -9.147 0.000) 9.147 6.009 ( -0.000 0.904 0.000) 0.904 6.054 ( -0.000 2.336 0.000) 2.336 6.511 ( -0.000 6.966 0.000) 6.966 7.015 ( 0.000 -10.830 0.000) 10.830 7.072 ( 0.000 -1.317 0.000) 1.317 7.090 ( 0.000 -3.182 0.000) 3.182 7.307 ( -0.000 5.821 0.000) 5.821 7.589 ( -0.000 5.565 0.000) 5.565 7.839 ( -0.000 0.988 0.000) 0.988 7.939 ( -0.000 0.667 0.000) 0.667 8.003 ( -0.000 0.875 0.000) 0.875 8.348 ( -0.000 14.073 0.000) 14.073 8.777 ( 0.000 -7.966 0.000) 7.966 9.043 ( -0.000 1.434 0.000) 1.434 9.189 ( -0.000 6.869 0.000) 6.869 9.360 ( -0.000 0.167 0.000) 0.167 9.570 ( -0.000 0.060 0.000) 0.060 9.800 ( 0.000 -5.359 0.000) 5.359 10.233 ( 0.000 -11.967 0.000) 11.967 10.310 ( -0.000 1.765 0.000) 1.765 10.333 ( -0.000 5.163 0.000) 5.163 10.484 ( 0.000 -13.327 0.000) 13.327 10.619 ( 0.000 -2.339 0.000) 2.339 10.985 ( 0.000 -2.728 0.000) 2.728 11.229 ( 0.000 -4.750 0.000) 4.750 11.234 ( -0.000 15.293 0.000) 15.293 12.249 ( 0.000 -24.830 0.000) 24.830 12.410 ( 0.000 -4.223 0.000) 4.223 12.611 ( 0.000 -20.166 0.000) 20.166 12.829 ( -0.000 15.215 0.000) 15.215 13.257 ( 0.000 -5.249 0.000) 5.249 13.348 ( -0.000 15.682 0.000) 15.682 13.602 ( 0.000 -9.118 0.000) 9.118 13.733 ( -0.000 11.381 0.000) 11.381 14.098 ( -0.000 16.014 0.000) 16.014 14.663 ( 0.000 -19.453 0.000) 19.453 14.725 ( 0.000 -5.576 0.000) 5.576 14.971 ( -0.000 6.688 0.000) 6.688 15.182 ( 0.000 -5.246 0.000) 5.246 15.252 ( -0.000 10.745 0.000) 10.745 15.874 ( 0.000 -0.407 0.000) 0.407 16.062 ( -0.000 5.317 0.000) 5.317 16.781 ( 0.000 -2.670 0.000) 2.670 17.092 ( 0.000 -6.759 0.000) 6.759 17.138 ( 0.000 -1.754 0.000) 1.754 17.344 ( 0.000 -5.827 0.000) 5.827 17.416 ( -0.000 3.467 0.000) 3.467 17.498 ( 0.000 -0.775 0.000) 0.775 17.598 ( -0.000 13.624 0.000) 13.624 17.752 ( -0.000 10.043 0.000) 10.043 18.241 ( 0.000 -0.533 0.000) 0.533 18.534 ( -0.000 1.280 0.000) 1.280 19.067 ( 0.000 -4.913 0.000) 4.913 19.399 ( -0.000 4.941 0.000) 4.941 19.703 ( 0.000 -4.217 0.000) 4.217 19.988 ( 0.000 -0.728 0.000) 0.728 20.020 ( -0.000 4.708 0.000) 4.708 20.054 ( 0.000 -5.515 0.000) 5.515 20.272 ( -0.000 2.949 0.000) 2.949 20.869 ( -0.000 1.700 0.000) 1.700 21.182 ( -0.000 0.771 0.000) 0.771 21.273 ( -0.000 0.027 0.000) 0.027 21.525 ( 0.000 -1.000 0.000) 1.000 22.318 ( 0.000 -10.544 0.000) 10.544 22.698 ( -0.000 11.125 0.000) 11.125 23.310 ( -0.000 0.727 0.000) 0.727 24.946 ( 0.000 -1.801 0.000) 1.801 25.891 ( 0.000 -5.349 0.000) 5.349 26.042 ( -0.000 0.002 0.000) 0.002 26.062 ( 0.000 -0.021 0.000) 0.021 26.221 ( -0.000 5.913 0.000) 5.913 26.305 ( 0.000 -4.886 0.000) 4.886 26.626 ( -0.000 1.004 0.000) 1.004 26.898 ( 0.000 -0.925 0.000) 0.925 27.692 ( -0.000 0.818 0.000) 0.818 30.009 ( -0.000 0.162 0.000) 0.162 30.062 ( 0.000 -0.184 0.000) 0.184 38.102 ( -0.000 0.038 0.000) 0.038 38.157 ( -0.000 0.089 0.000) 0.089 39.786 ( -0.000 0.826 0.000) 0.826 42.590 ( 0.000 -0.576 0.000) 0.576 ======================= Grid point 20 (14/100) ======================= q-point: ( 0.22 0.22 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.567 ( 21.262 0.000 0.000) 21.262 4.021 ( 5.015 0.000 0.000) 5.015 4.060 ( 33.600 0.000 0.000) 33.600 4.139 ( 1.928 0.000 0.000) 1.928 4.561 ( 9.743 0.000 0.000) 9.743 4.799 ( -2.366 -0.000 0.000) 2.366 5.176 ( 2.310 0.000 0.000) 2.310 5.613 ( -24.048 -0.000 0.000) 24.048 5.722 ( 7.709 0.000 0.000) 7.709 6.243 ( -3.736 -0.000 0.000) 3.736 6.623 ( -11.584 -0.000 0.000) 11.584 6.817 ( -7.188 -0.000 0.000) 7.188 6.866 ( -4.917 -0.000 0.000) 4.917 7.084 ( -5.509 -0.000 0.000) 5.509 7.808 ( 10.656 0.000 0.000) 10.656 7.890 ( -2.569 -0.000 0.000) 2.569 8.174 ( -3.549 -0.000 0.000) 3.549 8.177 ( 27.034 0.000 0.000) 27.034 8.236 ( 24.347 0.000 0.000) 24.347 8.475 ( 9.627 0.000 0.000) 9.627 8.761 ( 0.032 0.000 0.000) 0.032 8.963 ( -12.692 -0.000 0.000) 12.692 9.287 ( 2.273 0.000 0.000) 2.273 9.378 ( 1.118 0.000 0.000) 1.118 9.443 ( 31.767 0.000 0.000) 31.767 9.645 ( -0.413 -0.000 0.000) 0.413 9.969 ( -2.864 -0.000 0.000) 2.864 10.124 ( 9.342 0.000 0.000) 9.342 10.180 ( -1.893 -0.000 0.000) 1.893 10.557 ( 3.714 0.000 0.000) 3.714 11.138 ( 4.928 0.000 0.000) 4.928 11.485 ( 4.988 0.000 0.000) 4.988 11.714 ( 4.111 0.000 0.000) 4.111 11.752 ( -32.030 -0.000 0.000) 32.030 12.041 ( -0.283 -0.000 0.000) 0.283 12.133 ( 23.142 0.000 0.000) 23.142 12.383 ( -9.676 -0.000 0.000) 9.676 12.617 ( -34.038 -0.000 0.000) 34.038 12.947 ( 0.564 0.000 0.000) 0.564 12.972 ( -20.318 -0.000 0.000) 20.318 13.592 ( 10.906 0.000 0.000) 10.906 13.742 ( -6.224 -0.000 0.000) 6.224 14.075 ( 15.472 0.000 0.000) 15.472 14.124 ( 16.487 0.000 0.000) 16.487 14.159 ( 4.850 0.000 0.000) 4.850 14.509 ( 6.223 0.000 0.000) 6.223 14.611 ( -2.239 -0.000 0.000) 2.239 14.866 ( 1.320 0.000 0.000) 1.320 14.967 ( -16.132 -0.000 0.000) 16.132 15.403 ( -1.668 -0.000 0.000) 1.668 15.703 ( 1.982 0.000 0.000) 1.982 15.734 ( 20.402 0.000 0.000) 20.402 16.277 ( -8.713 -0.000 0.000) 8.713 16.442 ( -6.393 -0.000 0.000) 6.393 16.623 ( 0.463 0.000 0.000) 0.463 16.704 ( -12.960 -0.000 0.000) 12.960 17.020 ( -7.994 -0.000 0.000) 7.994 17.116 ( -9.458 -0.000 0.000) 9.458 17.952 ( 13.020 0.000 0.000) 13.020 18.089 ( -1.290 -0.000 0.000) 1.290 18.221 ( -6.178 -0.000 0.000) 6.178 18.939 ( -9.996 -0.000 0.000) 9.996 19.499 ( 2.815 0.000 0.000) 2.815 19.823 ( -2.595 -0.000 0.000) 2.595 20.028 ( 4.055 0.000 0.000) 4.055 20.134 ( -6.193 -0.000 0.000) 6.193 20.322 ( -4.018 -0.000 0.000) 4.018 20.415 ( -14.383 -0.000 0.000) 14.383 21.062 ( 8.432 0.000 0.000) 8.432 21.138 ( 2.083 0.000 0.000) 2.083 21.750 ( -12.753 -0.000 0.000) 12.753 22.017 ( 10.585 0.000 0.000) 10.585 22.025 ( 7.736 0.000 0.000) 7.736 22.332 ( -2.150 -0.000 0.000) 2.150 22.962 ( -2.300 -0.000 0.000) 2.300 23.897 ( 13.572 0.000 0.000) 13.572 25.001 ( 0.635 0.000 0.000) 0.635 25.305 ( -7.275 -0.000 0.000) 7.275 26.073 ( -1.418 -0.000 0.000) 1.418 26.180 ( -0.185 -0.000 0.000) 0.185 26.681 ( 1.244 0.000 0.000) 1.244 26.685 ( 0.489 0.000 0.000) 0.489 27.784 ( 2.379 0.000 0.000) 2.379 27.965 ( -1.981 -0.000 0.000) 1.981 30.186 ( 1.204 0.000 0.000) 1.204 30.312 ( 1.002 0.000 0.000) 1.002 38.791 ( 4.098 0.000 0.000) 4.098 39.627 ( -1.152 -0.000 0.000) 1.152 40.224 ( -4.400 -0.000 0.000) 4.400 41.311 ( -0.299 -0.000 0.000) 0.299 ======================= Grid point 21 (15/100) ======================= q-point: ( 0.33 0.22 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 164 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.556 ( -11.051 0.598 0.000) 11.067 4.051 ( -10.236 1.163 0.000) 10.302 4.335 ( 8.348 8.449 0.000) 11.878 4.426 ( 8.160 1.747 0.000) 8.344 4.558 ( -4.443 10.877 0.000) 11.749 4.868 ( 10.941 -19.440 0.000) 22.307 5.171 ( -16.420 -0.806 0.000) 16.440 5.518 ( 12.251 -2.497 0.000) 12.503 5.921 ( 10.012 8.512 0.000) 13.141 6.101 ( 1.052 -13.488 0.000) 13.529 6.370 ( -5.738 9.039 0.000) 10.706 6.707 ( -4.882 0.700 0.000) 4.932 6.884 ( -4.134 4.070 0.000) 5.801 6.973 ( 7.362 -6.407 0.000) 9.759 7.833 ( -26.090 0.409 0.000) 26.093 7.870 ( -5.234 -1.941 0.000) 5.583 7.987 ( 4.758 -0.567 0.000) 4.792 8.443 ( -0.655 5.364 0.000) 5.403 8.513 ( -2.276 -3.540 0.000) 4.208 8.593 ( 1.202 1.331 0.000) 1.794 8.759 ( -0.737 3.376 0.000) 3.455 8.837 ( 4.329 -5.312 0.000) 6.853 9.264 ( -6.670 3.505 0.000) 7.535 9.362 ( -2.022 3.184 0.000) 3.772 9.527 ( 1.258 1.294 0.000) 1.805 9.970 ( -2.482 -1.842 0.000) 3.091 10.090 ( 3.466 -2.795 0.000) 4.453 10.128 ( 0.087 4.145 0.000) 4.146 10.251 ( 4.339 -8.359 0.000) 9.418 10.657 ( -2.727 1.077 0.000) 2.932 10.985 ( -18.633 6.921 0.000) 19.876 11.174 ( 1.439 5.108 0.000) 5.307 11.352 ( -8.738 9.626 0.000) 13.000 11.633 ( -10.350 -21.499 0.000) 23.861 11.805 ( -11.157 4.015 0.000) 11.857 12.237 ( -26.552 -5.690 0.000) 27.155 12.318 ( 8.371 1.209 0.000) 8.458 12.516 ( -5.112 -3.504 0.000) 6.198 12.658 ( 7.905 -5.753 0.000) 9.777 13.179 ( 9.119 5.059 0.000) 10.429 13.573 ( -11.694 4.328 0.000) 12.469 13.681 ( -4.236 -5.028 0.000) 6.575 13.992 ( -10.772 0.063 0.000) 10.772 14.165 ( 0.290 9.463 0.000) 9.467 14.360 ( 8.267 -10.211 0.000) 13.138 14.519 ( 6.278 12.581 0.000) 14.060 14.671 ( 1.659 -6.996 0.000) 7.190 14.869 ( -0.564 1.292 0.000) 1.410 15.130 ( -15.074 -1.522 0.000) 15.150 15.265 ( 21.689 -1.506 0.000) 21.741 15.816 ( 10.618 2.313 0.000) 10.867 16.027 ( 7.780 -1.259 0.000) 7.881 16.151 ( -1.132 3.788 0.000) 3.954 16.314 ( -3.104 -4.733 0.000) 5.660 16.735 ( 16.885 0.410 0.000) 16.890 16.962 ( 18.201 5.817 0.000) 19.108 17.004 ( 15.595 2.672 0.000) 15.822 17.052 ( 3.512 -2.587 0.000) 4.362 18.041 ( -0.956 5.539 0.000) 5.621 18.109 ( 2.739 -0.250 0.000) 2.750 18.265 ( 4.997 -10.681 0.000) 11.792 18.738 ( -10.249 -1.402 0.000) 10.344 19.484 ( -1.571 8.310 0.000) 8.457 19.781 ( -2.334 -2.390 0.000) 3.340 20.031 ( -3.146 0.618 0.000) 3.206 20.082 ( -2.989 -2.701 0.000) 4.029 20.199 ( 0.107 4.097 0.000) 4.098 20.282 ( -4.947 -7.042 0.000) 8.607 21.157 ( 5.413 7.075 0.000) 8.908 21.224 ( 3.029 -2.510 0.000) 3.934 21.517 ( -11.555 -3.897 0.000) 12.195 22.102 ( 0.736 1.398 0.000) 1.580 22.197 ( 8.109 3.935 0.000) 9.013 22.291 ( -1.482 0.202 0.000) 1.496 22.971 ( 1.064 -7.209 0.000) 7.287 24.160 ( 15.143 5.838 0.000) 16.230 25.029 ( 2.370 0.455 0.000) 2.413 25.222 ( -1.132 -1.604 0.000) 1.964 26.056 ( -0.154 -0.081 0.000) 0.174 26.160 ( -1.918 -0.442 0.000) 1.968 26.665 ( -2.073 0.082 0.000) 2.074 26.675 ( -2.367 -0.721 0.000) 2.475 27.770 ( -2.133 5.354 0.000) 5.763 27.933 ( -3.272 -5.247 0.000) 6.184 30.186 ( -1.205 -0.000 0.000) 1.205 30.294 ( -2.823 -0.199 0.000) 2.830 38.786 ( -4.519 -0.020 0.000) 4.519 39.619 ( -0.019 -0.579 0.000) 0.579 40.076 ( -10.657 0.085 0.000) 10.657 41.394 ( 8.761 0.092 0.000) 8.761 ======================= Grid point 22 (16/100) ======================= q-point: (-0.56 0.22 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 164 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.276 ( -14.762 7.698 0.000) 16.649 3.688 ( -24.011 10.938 0.000) 26.385 4.162 ( -9.052 4.419 0.000) 10.073 4.277 ( -16.694 -3.065 0.000) 16.973 4.571 ( 7.681 15.086 0.000) 16.929 4.979 ( -11.873 -3.871 0.000) 12.488 5.160 ( 5.198 -14.332 0.000) 15.245 5.658 ( 3.810 -1.378 0.000) 4.052 5.974 ( 8.869 -1.472 0.000) 8.990 6.238 ( 3.495 11.141 0.000) 11.676 6.510 ( -3.956 1.889 0.000) 4.383 6.607 ( 2.867 -2.064 0.000) 3.533 6.929 ( 12.836 -1.577 0.000) 12.932 7.117 ( -30.228 -2.712 0.000) 30.349 7.308 ( 13.409 -11.400 0.000) 17.600 7.733 ( -18.147 0.515 0.000) 18.154 7.819 ( -23.470 5.886 0.000) 24.197 8.126 ( -13.659 1.732 0.000) 13.769 8.437 ( -0.613 6.707 0.000) 6.735 8.579 ( -13.421 4.475 0.000) 14.147 8.689 ( -0.482 -0.360 0.000) 0.601 8.846 ( -5.253 2.198 0.000) 5.694 9.143 ( -4.376 -13.031 0.000) 13.746 9.327 ( 3.817 3.392 0.000) 5.107 9.576 ( -1.132 9.450 0.000) 9.517 9.749 ( -15.207 4.871 0.000) 15.968 9.874 ( -17.703 2.996 0.000) 17.954 10.017 ( 5.369 0.507 0.000) 5.393 10.339 ( -1.460 -6.651 0.000) 6.809 10.597 ( -5.316 -8.432 0.000) 9.968 10.692 ( -16.667 -9.842 0.000) 19.356 10.826 ( -13.932 15.583 0.000) 20.903 11.353 ( -17.314 2.468 0.000) 17.489 11.553 ( -5.127 -5.021 0.000) 7.176 11.854 ( -14.443 -17.190 0.000) 22.452 12.203 ( 0.072 -3.474 0.000) 3.475 12.218 ( 18.297 -7.019 0.000) 19.597 12.409 ( -14.674 -3.859 0.000) 15.172 12.753 ( 10.789 -2.909 0.000) 11.174 13.109 ( -3.396 17.789 0.000) 18.110 13.416 ( -4.373 -0.493 0.000) 4.401 13.758 ( 1.984 -17.136 0.000) 17.251 13.883 ( -1.259 -0.516 0.000) 1.360 14.053 ( -0.303 5.856 0.000) 5.864 14.362 ( -14.051 -2.450 0.000) 14.263 14.542 ( 1.595 -3.491 0.000) 3.838 14.756 ( 7.878 10.974 0.000) 13.509 15.016 ( 14.567 4.079 0.000) 15.127 15.078 ( 8.186 -2.521 0.000) 8.565 15.337 ( -9.937 -0.177 0.000) 9.939 15.994 ( 12.186 12.337 0.000) 17.341 16.095 ( 3.676 2.534 0.000) 4.465 16.359 ( 13.517 -8.057 0.000) 15.736 16.522 ( 19.030 -0.109 0.000) 19.030 17.058 ( 12.517 5.889 0.000) 13.833 17.163 ( 9.620 2.548 0.000) 9.952 17.226 ( 25.253 -0.480 0.000) 25.258 17.542 ( 26.128 7.989 0.000) 27.322 17.988 ( -0.990 3.196 0.000) 3.346 18.150 ( -2.091 -0.641 0.000) 2.187 18.383 ( 3.601 -3.546 0.000) 5.054 18.645 ( -4.151 -15.070 0.000) 15.631 19.380 ( -0.686 8.779 0.000) 8.806 19.768 ( -1.757 -4.789 0.000) 5.101 19.973 ( -2.264 0.278 0.000) 2.281 20.043 ( -2.063 -4.533 0.000) 4.980 20.175 ( -4.329 -3.465 0.000) 5.546 20.334 ( 5.435 -1.092 0.000) 5.544 21.152 ( -2.773 9.053 0.000) 9.468 21.216 ( -1.917 -0.395 0.000) 1.957 21.436 ( -0.699 -4.761 0.000) 4.812 22.003 ( -8.799 -0.060 0.000) 8.800 22.220 ( -2.580 4.288 0.000) 5.004 22.370 ( 9.951 1.338 0.000) 10.041 23.102 ( 5.582 -8.100 0.000) 9.837 24.393 ( 17.308 15.581 0.000) 23.288 25.065 ( 3.218 4.876 0.000) 5.842 25.315 ( 7.157 -6.863 0.000) 9.916 26.077 ( 2.219 -0.868 0.000) 2.383 26.117 ( -3.059 -1.565 0.000) 3.436 26.599 ( -5.685 -0.964 0.000) 5.766 26.618 ( -2.768 -0.507 0.000) 2.814 27.644 ( -6.943 3.204 0.000) 7.646 27.890 ( -5.505 -5.305 0.000) 7.645 30.145 ( -2.708 0.063 0.000) 2.709 30.216 ( -5.136 -0.675 0.000) 5.180 38.631 ( -10.864 -0.117 0.000) 10.865 39.599 ( -7.003 -3.928 0.000) 8.030 39.834 ( -11.768 -1.268 0.000) 11.836 41.639 ( 16.714 2.077 0.000) 16.843 ======================= Grid point 23 (17/100) ======================= q-point: (-0.44 0.22 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 164 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.826 ( -19.225 26.357 0.000) 32.623 2.977 ( -31.375 27.921 0.000) 41.999 3.990 ( -11.478 -3.571 0.000) 12.020 4.123 ( -1.119 -11.496 0.000) 11.550 4.617 ( 4.897 6.638 0.000) 8.249 4.696 ( -19.277 1.387 0.000) 19.326 5.130 ( -26.518 14.880 0.000) 30.408 5.485 ( -5.544 -8.428 0.000) 10.088 6.115 ( -2.878 8.316 0.000) 8.800 6.275 ( -8.406 -3.552 0.000) 9.125 6.370 ( -2.137 -0.373 0.000) 2.169 6.439 ( 3.769 0.141 0.000) 3.772 6.646 ( -10.968 3.693 0.000) 11.573 7.199 ( -11.010 -2.722 0.000) 11.342 7.330 ( -18.673 -5.238 0.000) 19.394 7.604 ( 20.183 -1.574 0.000) 20.245 7.674 ( 0.459 -11.054 0.000) 11.064 7.962 ( -0.492 -0.686 0.000) 0.844 8.254 ( -12.406 2.781 0.000) 12.714 8.290 ( -8.148 5.426 0.000) 9.790 8.498 ( -16.546 3.447 0.000) 16.902 8.790 ( 0.010 -0.294 0.000) 0.294 9.236 ( -9.129 11.121 0.000) 14.388 9.252 ( -4.711 -15.940 0.000) 16.622 9.438 ( -9.385 5.220 0.000) 10.739 9.479 ( 3.363 8.102 0.000) 8.773 9.707 ( 3.555 -1.033 0.000) 3.702 10.092 ( -2.078 1.951 0.000) 2.850 10.204 ( -11.829 0.758 0.000) 11.853 10.479 ( -10.293 -9.855 0.000) 14.250 10.558 ( -0.494 5.116 0.000) 5.140 10.657 ( -1.068 -7.720 0.000) 7.793 10.938 ( -18.232 1.179 0.000) 18.270 11.567 ( -2.256 -14.752 0.000) 14.923 11.725 ( -20.776 -1.922 0.000) 20.864 11.826 ( -15.848 -12.639 0.000) 20.271 12.010 ( -12.135 -11.043 0.000) 16.408 12.651 ( -0.694 8.547 0.000) 8.575 12.993 ( 11.815 10.085 0.000) 15.534 13.223 ( -5.807 2.376 0.000) 6.275 13.432 ( 30.105 -6.314 0.000) 30.760 13.776 ( -8.841 -10.722 0.000) 13.897 13.898 ( -10.019 -0.565 0.000) 10.035 14.057 ( 6.610 -0.300 0.000) 6.617 14.313 ( 9.169 -6.121 0.000) 11.024 14.595 ( 4.197 -1.424 0.000) 4.432 14.745 ( -2.197 1.918 0.000) 2.917 15.000 ( -12.723 -0.365 0.000) 12.728 15.296 ( 16.986 9.955 0.000) 19.688 15.490 ( 21.938 2.156 0.000) 22.044 16.064 ( 5.343 8.479 0.000) 10.022 16.234 ( 12.152 7.426 0.000) 14.242 16.579 ( 5.613 -2.085 0.000) 5.988 16.822 ( 10.849 4.541 0.000) 11.761 17.220 ( 4.510 2.647 0.000) 5.229 17.387 ( 17.211 3.078 0.000) 17.484 17.707 ( 12.818 9.172 0.000) 15.761 17.854 ( 14.865 3.082 0.000) 15.181 17.913 ( 1.944 3.912 0.000) 4.369 18.122 ( 3.421 -3.990 0.000) 5.256 18.566 ( 5.936 -5.828 0.000) 8.319 18.686 ( -4.917 -19.244 0.000) 19.862 19.349 ( 2.697 5.616 0.000) 6.230 19.774 ( -2.744 -7.072 0.000) 7.586 19.940 ( -1.063 1.835 0.000) 2.121 20.032 ( -3.848 -4.399 0.000) 5.845 20.152 ( 0.975 -3.758 0.000) 3.883 20.408 ( 0.346 0.026 0.000) 0.347 21.001 ( -6.103 2.097 0.000) 6.454 21.184 ( -0.214 3.695 0.000) 3.701 21.438 ( -2.090 1.483 0.000) 2.563 21.804 ( -11.530 -1.555 0.000) 11.634 22.150 ( -0.781 2.363 0.000) 2.489 22.562 ( 8.972 -1.465 0.000) 9.091 23.267 ( 6.348 -2.790 0.000) 6.934 24.629 ( 20.585 19.210 0.000) 28.156 25.108 ( 8.439 10.829 0.000) 13.729 25.541 ( 9.347 -6.089 0.000) 11.155 26.073 ( -2.597 -2.370 0.000) 3.516 26.166 ( 5.657 -1.455 0.000) 5.842 26.478 ( -6.813 -0.588 0.000) 6.838 26.583 ( -0.975 -1.188 0.000) 1.537 27.461 ( -12.684 -5.350 0.000) 13.767 27.805 ( -5.645 -2.480 0.000) 6.165 30.090 ( -2.742 0.300 0.000) 2.758 30.120 ( -4.753 -0.782 0.000) 4.817 38.396 ( -12.376 -0.115 0.000) 12.377 39.263 ( -31.220 -13.255 0.000) 33.918 39.766 ( 1.500 1.085 0.000) 1.852 41.989 ( 21.004 4.376 0.000) 21.455 ======================= Grid point 24 (18/100) ======================= q-point: (-0.33 0.22 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 164 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.152 ( -24.466 40.613 0.000) 47.413 2.162 ( -22.198 42.107 0.000) 47.600 3.525 ( -43.648 45.073 0.000) 62.743 3.899 ( -8.723 5.060 0.000) 10.084 4.380 ( 10.135 -5.609 0.000) 11.583 4.729 ( -13.865 -15.626 0.000) 20.890 4.858 ( 14.811 -10.642 0.000) 18.238 5.552 ( -0.157 -4.980 0.000) 4.982 5.780 ( -16.443 5.439 0.000) 17.319 6.090 ( -7.341 0.647 0.000) 7.370 6.179 ( -15.026 -10.469 0.000) 18.313 6.598 ( 3.061 -0.623 0.000) 3.124 6.739 ( 10.245 -0.205 0.000) 10.248 7.111 ( -2.924 0.035 0.000) 2.925 7.159 ( -0.092 -4.282 0.000) 4.283 7.368 ( -18.355 -5.030 0.000) 19.031 7.731 ( -8.563 8.971 0.000) 12.401 8.024 ( -6.124 -0.299 0.000) 6.131 8.127 ( -6.577 -3.683 0.000) 7.538 8.153 ( -10.930 5.555 0.000) 12.261 8.358 ( 16.640 -3.540 0.000) 17.013 8.865 ( 2.899 2.277 0.000) 3.686 8.875 ( -1.457 9.445 0.000) 9.557 9.217 ( -2.943 6.118 0.000) 6.789 9.415 ( 2.099 -0.784 0.000) 2.240 9.565 ( 6.020 -3.968 0.000) 7.210 9.823 ( -10.173 -5.627 0.000) 11.625 9.950 ( 0.154 0.416 0.000) 0.444 10.014 ( 0.619 -3.366 0.000) 3.423 10.482 ( -0.108 -9.970 0.000) 9.970 10.520 ( 0.389 7.658 0.000) 7.668 10.610 ( -15.124 -2.595 0.000) 15.345 10.776 ( 2.470 -8.664 0.000) 9.009 11.288 ( -21.629 -9.981 0.000) 23.821 11.598 ( -10.011 -6.405 0.000) 11.884 11.687 ( 2.984 -9.817 0.000) 10.260 12.136 ( 4.961 -15.079 0.000) 15.874 12.500 ( -4.021 8.395 0.000) 9.308 13.056 ( -4.122 3.897 0.000) 5.673 13.155 ( 9.993 8.682 0.000) 13.237 13.510 ( -16.003 -6.392 0.000) 17.233 13.740 ( 5.444 8.849 0.000) 10.389 13.968 ( -5.577 7.017 0.000) 8.963 14.097 ( 5.237 -20.847 0.000) 21.495 14.600 ( -1.295 3.897 0.000) 4.107 14.660 ( 3.921 3.446 0.000) 5.220 14.775 ( 1.025 -9.056 0.000) 9.114 14.898 ( 13.149 -7.432 0.000) 15.104 15.515 ( 13.330 15.947 0.000) 20.784 15.758 ( 1.970 -2.565 0.000) 3.234 16.188 ( 13.408 13.443 0.000) 18.987 16.466 ( 22.559 6.103 0.000) 23.370 16.679 ( 5.612 -0.288 0.000) 5.619 16.901 ( 2.036 0.692 0.000) 2.150 17.250 ( 0.766 1.583 0.000) 1.759 17.542 ( -4.638 9.493 0.000) 10.566 17.679 ( 10.170 2.302 0.000) 10.428 17.966 ( -2.391 0.579 0.000) 2.460 18.102 ( 2.499 -0.504 0.000) 2.550 18.347 ( -0.474 -6.253 0.000) 6.271 18.414 ( -9.379 -10.758 0.000) 14.272 18.877 ( 8.986 -2.811 0.000) 9.416 19.403 ( 6.623 3.667 0.000) 7.570 19.731 ( -6.837 -4.551 0.000) 8.213 19.915 ( 0.299 0.796 0.000) 0.850 19.979 ( -2.587 -2.418 0.000) 3.541 20.209 ( -1.129 -2.463 0.000) 2.709 20.335 ( -4.843 1.819 0.000) 5.173 20.912 ( -2.303 0.018 0.000) 2.303 21.178 ( 2.011 2.406 0.000) 3.136 21.343 ( -3.782 3.956 0.000) 5.473 21.603 ( -10.012 -2.837 0.000) 10.406 22.161 ( 1.738 -0.914 0.000) 1.964 22.721 ( 5.363 -2.738 0.000) 6.022 23.365 ( 3.752 4.087 0.000) 5.548 24.858 ( 8.951 4.126 0.000) 9.856 25.363 ( 35.559 22.359 0.000) 42.004 25.724 ( 5.456 -3.921 0.000) 6.719 26.053 ( -1.047 -1.216 0.000) 1.604 26.265 ( 0.297 -4.399 0.000) 4.409 26.371 ( -2.018 4.066 0.000) 4.539 26.612 ( 2.759 -0.872 0.000) 2.894 27.213 ( -21.374 -14.006 0.000) 25.555 27.732 ( -2.091 0.655 0.000) 2.191 30.035 ( -2.260 0.169 0.000) 2.266 30.064 ( -1.283 -0.061 0.000) 1.285 38.187 ( -8.275 -0.008 0.000) 8.275 38.657 ( -40.305 -14.593 0.000) 42.866 39.794 ( 1.691 1.248 0.000) 2.102 42.360 ( 19.087 3.904 0.000) 19.483 ======================= Grid point 25 (19/100) ======================= q-point: (-0.22 0.22 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.495 ( -0.000 49.679 0.000) 49.679 1.550 ( -0.000 50.541 0.000) 50.541 2.525 ( -0.000 76.694 0.000) 76.694 3.807 ( -0.000 5.195 0.000) 5.195 4.562 ( -0.000 1.896 0.000) 1.896 4.722 ( 0.000 -28.484 0.000) 28.484 5.255 ( 0.000 -21.271 0.000) 21.271 5.400 ( -0.000 2.034 0.000) 2.034 5.729 ( 0.000 -6.126 0.000) 6.126 6.013 ( 0.000 -7.681 0.000) 7.681 6.024 ( -0.000 1.040 0.000) 1.040 6.607 ( -0.000 5.458 0.000) 5.458 6.854 ( 0.000 -7.787 0.000) 7.787 7.055 ( 0.000 -1.463 0.000) 1.463 7.097 ( -0.000 1.444 0.000) 1.444 7.374 ( -0.000 2.488 0.000) 2.488 7.593 ( 0.000 -2.821 0.000) 2.821 7.908 ( -0.000 7.412 0.000) 7.412 7.962 ( -0.000 2.189 0.000) 2.189 8.020 ( -0.000 1.707 0.000) 1.707 8.607 ( -0.000 19.460 0.000) 19.460 8.663 ( 0.000 -6.791 0.000) 6.791 9.066 ( -0.000 0.471 0.000) 0.471 9.264 ( -0.000 2.395 0.000) 2.395 9.354 ( 0.000 -2.985 0.000) 2.985 9.603 ( -0.000 4.886 0.000) 4.886 9.679 ( 0.000 -8.196 0.000) 8.196 10.046 ( 0.000 -12.520 0.000) 12.520 10.268 ( 0.000 -13.964 0.000) 13.964 10.323 ( -0.000 1.164 0.000) 1.164 10.455 ( -0.000 9.575 0.000) 9.575 10.555 ( 0.000 -6.780 0.000) 6.780 10.889 ( 0.000 -9.752 0.000) 9.752 11.128 ( 0.000 -8.640 0.000) 8.640 11.475 ( -0.000 14.002 0.000) 14.002 11.854 ( 0.000 -25.630 0.000) 25.630 12.318 ( 0.000 -18.576 0.000) 18.576 12.408 ( -0.000 4.917 0.000) 4.917 13.000 ( -0.000 7.045 0.000) 7.045 13.251 ( -0.000 4.846 0.000) 4.846 13.358 ( 0.000 -9.278 0.000) 9.278 13.694 ( -0.000 16.268 0.000) 16.268 13.865 ( -0.000 5.912 0.000) 5.912 14.330 ( -0.000 13.624 0.000) 13.624 14.331 ( 0.000 -23.854 0.000) 23.854 14.659 ( 0.000 -1.998 0.000) 1.998 15.020 ( 0.000 -12.396 0.000) 12.396 15.067 ( -0.000 5.645 0.000) 5.645 15.520 ( -0.000 20.036 0.000) 20.036 15.777 ( 0.000 -9.183 0.000) 9.183 16.213 ( -0.000 12.062 0.000) 12.062 16.728 ( 0.000 -4.303 0.000) 4.303 16.972 ( 0.000 -8.801 0.000) 8.801 17.136 ( 0.000 -0.889 0.000) 0.889 17.261 ( 0.000 -2.721 0.000) 2.721 17.468 ( -0.000 3.194 0.000) 3.194 17.483 ( 0.000 -1.054 0.000) 1.054 17.759 ( -0.000 7.528 0.000) 7.528 17.959 ( -0.000 15.491 0.000) 15.491 18.233 ( 0.000 -0.481 0.000) 0.481 18.557 ( -0.000 1.622 0.000) 1.622 18.990 ( 0.000 -4.280 0.000) 4.280 19.488 ( -0.000 6.490 0.000) 6.490 19.635 ( 0.000 -4.547 0.000) 4.547 19.947 ( 0.000 -5.891 0.000) 5.891 19.996 ( 0.000 -0.500 0.000) 0.500 20.098 ( -0.000 5.331 0.000) 5.331 20.302 ( -0.000 0.760 0.000) 0.760 20.891 ( -0.000 0.870 0.000) 0.870 21.198 ( -0.000 1.256 0.000) 1.256 21.283 ( -0.000 1.580 0.000) 1.580 21.504 ( 0.000 -1.670 0.000) 1.670 22.203 ( 0.000 -4.615 0.000) 4.615 22.790 ( -0.000 0.336 0.000) 0.336 23.356 ( -0.000 5.986 0.000) 5.986 24.921 ( 0.000 -1.214 0.000) 1.214 25.804 ( 0.000 -6.021 0.000) 6.021 26.042 ( -0.000 0.004 0.000) 0.004 26.062 ( 0.000 -0.033 0.000) 0.033 26.204 ( 0.000 -7.740 0.000) 7.740 26.320 ( -0.000 6.296 0.000) 6.296 26.644 ( -0.000 1.406 0.000) 1.406 26.877 ( 0.000 -1.854 0.000) 1.854 27.709 ( -0.000 1.388 0.000) 1.388 30.012 ( -0.000 0.237 0.000) 0.237 30.059 ( 0.000 -0.286 0.000) 0.286 38.102 ( -0.000 0.058 0.000) 0.058 38.159 ( -0.000 0.136 0.000) 0.136 39.803 ( -0.000 1.256 0.000) 1.256 42.579 ( 0.000 -0.875 0.000) 0.875 ======================= Grid point 30 (20/100) ======================= q-point: (-0.67 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.334 ( -10.453 -0.000 0.000) 10.453 3.778 ( -16.695 -0.000 0.000) 16.695 4.200 ( -12.357 -0.000 0.000) 12.357 4.250 ( -23.376 -0.000 0.000) 23.376 4.762 ( 2.851 0.000 0.000) 2.851 4.940 ( -7.984 -0.000 0.000) 7.984 4.970 ( 8.840 0.000 0.000) 8.840 5.637 ( 2.535 0.000 0.000) 2.535 5.965 ( 12.254 0.000 0.000) 12.254 6.357 ( -1.648 -0.000 0.000) 1.648 6.508 ( 4.459 0.000 0.000) 4.459 6.595 ( 2.594 0.000 0.000) 2.594 6.930 ( 14.245 0.000 0.000) 14.245 7.099 ( -34.320 -0.000 0.000) 34.320 7.197 ( 13.243 0.000 0.000) 13.243 7.737 ( -19.508 -0.000 0.000) 19.508 7.863 ( -19.769 -0.000 0.000) 19.769 8.145 ( -17.666 -0.000 0.000) 17.666 8.499 ( 1.298 0.000 0.000) 1.298 8.617 ( -15.733 -0.000 0.000) 15.733 8.682 ( 1.746 0.000 0.000) 1.746 8.864 ( -2.125 -0.000 0.000) 2.125 9.017 ( -9.346 -0.000 0.000) 9.346 9.370 ( 1.629 0.000 0.000) 1.629 9.619 ( -6.216 -0.000 0.000) 6.216 9.848 ( -4.259 -0.000 0.000) 4.259 9.899 ( -17.119 -0.000 0.000) 17.119 10.103 ( -1.455 -0.000 0.000) 1.455 10.133 ( -0.914 -0.000 0.000) 0.914 10.576 ( -14.841 -0.000 0.000) 14.841 10.585 ( -7.757 -0.000 0.000) 7.757 11.031 ( -12.705 -0.000 0.000) 12.705 11.284 ( -9.579 -0.000 0.000) 9.579 11.559 ( -31.191 -0.000 0.000) 31.191 11.696 ( 0.649 0.000 0.000) 0.649 12.158 ( 49.079 0.000 0.000) 49.079 12.179 ( -25.661 -0.000 0.000) 25.661 12.378 ( -16.987 -0.000 0.000) 16.987 12.737 ( 12.428 0.000 0.000) 12.428 13.337 ( 1.866 0.000 0.000) 1.866 13.410 ( -10.866 -0.000 0.000) 10.866 13.536 ( 0.576 0.000 0.000) 0.576 13.881 ( 0.694 0.000 0.000) 0.694 14.105 ( -3.720 -0.000 0.000) 3.720 14.346 ( -18.408 -0.000 0.000) 18.408 14.504 ( 8.324 0.000 0.000) 8.324 14.853 ( -1.379 -0.000 0.000) 1.379 15.031 ( 23.275 0.000 0.000) 23.275 15.067 ( 10.549 0.000 0.000) 10.549 15.333 ( -12.026 -0.000 0.000) 12.026 16.109 ( 8.599 0.000 0.000) 8.599 16.182 ( 8.083 0.000 0.000) 8.083 16.196 ( 10.925 0.000 0.000) 10.925 16.535 ( 23.306 0.000 0.000) 23.306 17.108 ( 10.598 0.000 0.000) 10.598 17.167 ( 11.646 0.000 0.000) 11.646 17.233 ( 26.205 0.000 0.000) 26.205 17.616 ( 26.782 0.000 0.000) 26.782 18.060 ( -0.615 -0.000 0.000) 0.615 18.088 ( -3.385 -0.000 0.000) 3.385 18.346 ( 7.258 0.000 0.000) 7.258 18.532 ( -9.642 -0.000 0.000) 9.642 19.474 ( -1.958 -0.000 0.000) 1.958 19.711 ( -3.380 -0.000 0.000) 3.380 19.960 ( -4.118 -0.000 0.000) 4.118 20.016 ( -0.110 -0.000 0.000) 0.110 20.154 ( -3.113 -0.000 0.000) 3.113 20.325 ( 5.803 0.000 0.000) 5.803 21.186 ( -7.378 -0.000 0.000) 7.378 21.310 ( 5.804 0.000 0.000) 5.804 21.337 ( -3.124 -0.000 0.000) 3.124 22.004 ( -8.859 -0.000 0.000) 8.859 22.258 ( -2.437 -0.000 0.000) 2.437 22.381 ( 7.654 0.000 0.000) 7.654 23.034 ( 8.076 0.000 0.000) 8.076 24.512 ( 17.686 0.000 0.000) 17.686 25.127 ( 7.995 0.000 0.000) 7.995 25.237 ( 3.797 0.000 0.000) 3.797 26.070 ( 1.915 0.000 0.000) 1.915 26.103 ( -3.462 -0.000 0.000) 3.462 26.592 ( -5.666 -0.000 0.000) 5.666 26.613 ( -2.831 -0.000 0.000) 2.831 27.681 ( -9.909 -0.000 0.000) 9.909 27.837 ( -3.636 -0.000 0.000) 3.636 30.146 ( -2.647 -0.000 0.000) 2.647 30.211 ( -5.179 -0.000 0.000) 5.179 38.630 ( -10.869 -0.000 0.000) 10.869 39.567 ( -9.843 -0.000 0.000) 9.843 39.828 ( -10.306 -0.000 0.000) 10.306 41.654 ( 17.188 0.000 0.000) 17.188 ======================= Grid point 32 (21/100) ======================= q-point: (-0.56 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 164 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.142 ( -6.645 13.534 0.000) 15.077 3.363 ( -19.882 21.302 0.000) 29.138 3.845 ( -18.619 -13.667 0.000) 23.096 3.963 ( -11.748 -7.543 0.000) 13.962 4.655 ( -16.831 -2.590 0.000) 17.029 4.729 ( -0.370 6.624 0.000) 6.635 5.211 ( 6.201 -4.395 0.000) 7.601 5.483 ( -23.792 5.490 0.000) 24.418 6.224 ( -13.053 2.695 0.000) 13.328 6.249 ( -7.102 2.280 0.000) 7.460 6.347 ( 13.421 -1.439 0.000) 13.498 6.440 ( -1.026 -1.049 0.000) 1.467 6.754 ( -17.116 8.719 0.000) 19.209 7.118 ( -24.271 -5.697 0.000) 24.931 7.318 ( -7.747 2.785 0.000) 8.232 7.493 ( 1.772 -10.170 0.000) 10.323 7.598 ( 25.253 -0.996 0.000) 25.272 7.945 ( -6.645 -0.897 0.000) 6.705 8.258 ( -15.426 -0.288 0.000) 15.429 8.442 ( -8.524 12.502 0.000) 15.131 8.540 ( -14.966 1.694 0.000) 15.062 8.710 ( -10.660 -11.134 0.000) 15.414 9.055 ( 6.210 -5.714 0.000) 8.439 9.374 ( -4.635 5.252 0.000) 7.005 9.434 ( -7.327 -1.975 0.000) 7.589 9.653 ( -0.059 8.404 0.000) 8.404 9.750 ( -1.507 6.221 0.000) 6.401 10.101 ( -4.820 0.219 0.000) 4.825 10.214 ( -2.126 -3.070 0.000) 3.734 10.330 ( -13.650 -5.966 0.000) 14.897 10.392 ( -3.558 -9.662 0.000) 10.296 10.836 ( -2.005 14.523 0.000) 14.661 10.951 ( -19.139 0.315 0.000) 19.141 11.295 ( -9.860 -16.479 0.000) 19.204 11.634 ( -21.544 -3.235 0.000) 21.785 11.820 ( -6.485 0.994 0.000) 6.561 11.881 ( -13.302 -4.832 0.000) 14.153 12.757 ( 7.493 4.265 0.000) 8.621 13.142 ( 11.245 8.511 0.000) 14.103 13.272 ( -8.204 0.639 0.000) 8.229 13.369 ( 29.861 2.140 0.000) 29.937 13.588 ( -3.031 -13.156 0.000) 13.500 13.863 ( -21.262 -2.344 0.000) 21.391 14.059 ( 12.689 0.198 0.000) 12.691 14.254 ( 12.159 -1.890 0.000) 12.305 14.608 ( 1.099 2.060 0.000) 2.335 14.747 ( -7.618 -1.223 0.000) 7.715 15.002 ( -12.891 0.501 0.000) 12.900 15.403 ( 19.429 3.967 0.000) 19.830 15.510 ( 21.332 0.475 0.000) 21.338 16.154 ( 5.549 3.380 0.000) 6.497 16.318 ( 8.528 3.358 0.000) 9.166 16.536 ( 12.558 -2.489 0.000) 12.802 16.873 ( 9.959 1.950 0.000) 10.148 17.272 ( 6.650 3.116 0.000) 7.344 17.405 ( 13.032 -0.116 0.000) 13.032 17.809 ( 24.694 4.061 0.000) 25.026 17.919 ( 2.386 4.797 0.000) 5.357 17.951 ( 0.453 0.777 0.000) 0.900 18.063 ( 1.084 -3.162 0.000) 3.343 18.392 ( -10.125 -10.549 0.000) 14.622 18.573 ( 15.291 -1.228 0.000) 15.340 19.441 ( 1.318 5.856 0.000) 6.003 19.669 ( -3.284 -6.354 0.000) 7.152 19.957 ( 2.213 0.598 0.000) 2.293 19.991 ( -2.398 -1.247 0.000) 2.703 20.120 ( -0.647 -0.825 0.000) 1.048 20.406 ( 1.420 -0.158 0.000) 1.429 21.020 ( -7.503 0.599 0.000) 7.527 21.261 ( -1.564 5.469 0.000) 5.689 21.410 ( 0.214 -3.919 0.000) 3.925 21.795 ( -11.952 -0.027 0.000) 11.952 22.205 ( -0.645 3.604 0.000) 3.661 22.515 ( 5.137 -3.356 0.000) 6.136 23.240 ( 11.167 -0.870 0.000) 11.201 24.790 ( 11.553 4.436 0.000) 12.375 25.292 ( 13.505 11.759 0.000) 17.906 25.442 ( 13.348 -7.521 0.000) 15.321 26.041 ( -2.911 -1.428 0.000) 3.243 26.145 ( 5.319 -0.953 0.000) 5.403 26.475 ( -5.218 -0.030 0.000) 5.218 26.568 ( -1.862 -0.650 0.000) 1.972 27.408 ( -17.802 -1.756 0.000) 17.888 27.779 ( -2.900 -0.893 0.000) 3.034 30.094 ( -2.455 0.243 0.000) 2.467 30.111 ( -4.702 -0.410 0.000) 4.720 38.395 ( -12.321 -0.039 0.000) 12.321 39.137 ( -31.581 -4.081 0.000) 31.843 39.778 ( 1.542 0.454 0.000) 1.608 42.028 ( 20.685 1.196 0.000) 20.720 ======================= Grid point 33 (22/100) ======================= q-point: (-0.44 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 164 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.735 ( -14.955 37.101 0.000) 40.002 2.780 ( -14.891 40.455 0.000) 43.108 3.676 ( -10.758 -14.226 0.000) 17.836 3.953 ( -5.473 -21.964 0.000) 22.636 4.279 ( -20.922 6.860 0.000) 22.018 4.745 ( 4.399 -3.734 0.000) 5.770 4.804 ( -9.888 21.403 0.000) 23.577 5.445 ( 3.848 -8.699 0.000) 9.512 5.872 ( -22.431 7.095 0.000) 23.527 6.060 ( -14.116 -4.966 0.000) 14.964 6.110 ( -13.661 1.055 0.000) 13.702 6.605 ( 6.484 1.481 0.000) 6.651 6.725 ( 9.250 -1.920 0.000) 9.447 6.925 ( -1.559 -15.120 0.000) 15.201 7.226 ( -6.208 4.195 0.000) 7.492 7.331 ( -9.257 1.180 0.000) 9.332 7.864 ( -9.677 6.868 0.000) 11.867 8.024 ( 4.212 -1.743 0.000) 4.558 8.076 ( -5.385 1.273 0.000) 5.533 8.228 ( -12.614 3.553 0.000) 13.105 8.313 ( 15.190 -1.468 0.000) 15.261 8.686 ( -0.989 -19.526 0.000) 19.551 9.109 ( -4.829 12.989 0.000) 13.858 9.280 ( 3.138 -4.428 0.000) 5.427 9.307 ( -5.073 4.073 0.000) 6.505 9.691 ( 5.268 11.749 0.000) 12.876 9.728 ( 0.594 -5.657 0.000) 5.688 9.926 ( -10.240 -4.512 0.000) 11.190 10.055 ( -4.806 8.684 0.000) 9.925 10.282 ( -1.059 -15.311 0.000) 15.348 10.504 ( -0.990 -9.312 0.000) 9.365 10.661 ( -6.092 8.830 0.000) 10.728 10.763 ( -1.053 5.962 0.000) 6.054 11.113 ( -23.486 -11.951 0.000) 26.352 11.248 ( -7.571 -22.446 0.000) 23.688 11.810 ( 3.940 7.883 0.000) 8.813 11.947 ( 4.348 -9.507 0.000) 10.454 12.669 ( -3.332 11.915 0.000) 12.372 13.102 ( -4.481 3.067 0.000) 5.430 13.269 ( 3.718 4.743 0.000) 6.027 13.438 ( -12.119 -1.566 0.000) 12.220 13.743 ( 2.016 -13.623 0.000) 13.771 13.850 ( 12.275 -3.631 0.000) 12.801 14.110 ( -5.949 8.837 0.000) 10.652 14.550 ( -3.249 -4.351 0.000) 5.430 14.665 ( 5.370 -5.171 0.000) 7.455 14.745 ( 16.985 -2.966 0.000) 17.242 14.856 ( 3.925 6.219 0.000) 7.354 15.612 ( 1.588 -1.487 0.000) 2.176 15.820 ( 12.868 8.938 0.000) 15.667 16.355 ( 11.859 9.103 0.000) 14.950 16.507 ( 19.615 -0.154 0.000) 19.615 16.666 ( 1.160 -1.311 0.000) 1.750 16.899 ( -4.082 -0.425 0.000) 4.104 17.327 ( 5.253 7.935 0.000) 9.517 17.650 ( -8.403 5.306 0.000) 9.938 17.665 ( 6.828 -3.910 0.000) 7.869 17.894 ( -13.719 -7.026 0.000) 15.413 18.109 ( 3.403 0.040 0.000) 3.403 18.249 ( -5.414 -3.280 0.000) 6.330 18.381 ( 18.834 -0.231 0.000) 18.836 18.878 ( 13.408 2.346 0.000) 13.612 19.454 ( 4.456 3.672 0.000) 5.774 19.659 ( -3.367 -5.695 0.000) 6.616 19.900 ( -5.286 -1.389 0.000) 5.466 20.004 ( 2.222 4.658 0.000) 5.161 20.164 ( 2.369 -3.986 0.000) 4.637 20.354 ( -5.881 0.884 0.000) 5.947 20.912 ( -3.140 0.039 0.000) 3.141 21.217 ( 0.405 2.531 0.000) 2.563 21.377 ( -3.787 0.380 0.000) 3.806 21.574 ( -9.818 -0.934 0.000) 9.862 22.192 ( 1.896 4.543 0.000) 4.923 22.631 ( 2.509 -7.866 0.000) 8.256 23.427 ( 7.880 3.541 0.000) 8.639 24.903 ( 3.596 2.555 0.000) 4.411 25.540 ( 16.451 2.094 0.000) 16.584 25.728 ( 14.636 4.724 0.000) 15.380 26.029 ( 0.405 -1.838 0.000) 1.882 26.196 ( -4.148 -3.573 0.000) 5.475 26.451 ( 2.435 5.707 0.000) 6.205 26.587 ( 4.735 -2.629 0.000) 5.416 27.058 ( -19.974 -6.928 0.000) 21.142 27.742 ( -0.916 0.571 0.000) 1.079 30.038 ( -2.272 0.120 0.000) 2.275 30.062 ( -1.135 -0.114 0.000) 1.141 38.187 ( -8.203 -0.002 0.000) 8.203 38.521 ( -32.026 -5.024 0.000) 32.418 39.810 ( 1.683 0.813 0.000) 1.869 42.392 ( 16.034 1.025 0.000) 16.067 ======================= Grid point 34 (23/100) ======================= q-point: (-0.33 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.218 ( -0.000 47.720 0.000) 47.720 2.271 ( -0.000 46.486 0.000) 46.486 3.466 ( -0.000 39.153 0.000) 39.153 3.841 ( -0.000 6.394 0.000) 6.394 4.229 ( 0.000 -37.056 0.000) 37.056 4.670 ( -0.000 13.502 0.000) 13.502 4.948 ( 0.000 -18.965 0.000) 18.965 5.435 ( -0.000 2.555 0.000) 2.555 5.660 ( 0.000 -3.397 0.000) 3.397 5.865 ( 0.000 -11.043 0.000) 11.043 6.037 ( -0.000 0.665 0.000) 0.665 6.669 ( -0.000 3.087 0.000) 3.087 6.785 ( 0.000 -2.124 0.000) 2.124 7.044 ( 0.000 -0.159 0.000) 0.159 7.051 ( 0.000 -8.623 0.000) 8.623 7.382 ( 0.000 -0.800 0.000) 0.800 7.615 ( -0.000 8.527 0.000) 8.527 7.985 ( -0.000 0.686 0.000) 0.686 8.019 ( -0.000 6.587 0.000) 6.587 8.058 ( -0.000 3.026 0.000) 3.026 8.587 ( 0.000 -3.338 0.000) 3.338 8.851 ( 0.000 -2.559 0.000) 2.559 8.967 ( 0.000 -2.713 0.000) 2.713 9.267 ( 0.000 -1.158 0.000) 1.158 9.283 ( 0.000 -0.720 0.000) 0.720 9.689 ( -0.000 8.373 0.000) 8.373 9.698 ( -0.000 6.784 0.000) 6.784 9.864 ( 0.000 -12.240 0.000) 12.240 10.105 ( 0.000 -7.332 0.000) 7.332 10.355 ( -0.000 3.327 0.000) 3.327 10.399 ( 0.000 -14.055 0.000) 14.055 10.592 ( -0.000 8.257 0.000) 8.257 10.761 ( 0.000 -5.636 0.000) 5.636 10.984 ( 0.000 -10.226 0.000) 10.226 11.354 ( 0.000 -24.634 0.000) 24.634 11.785 ( -0.000 10.841 0.000) 10.841 12.078 ( 0.000 -13.255 0.000) 13.255 12.545 ( -0.000 12.280 0.000) 12.280 13.060 ( -0.000 2.376 0.000) 2.376 13.230 ( 0.000 -7.080 0.000) 7.080 13.354 ( -0.000 7.007 0.000) 7.007 13.897 ( 0.000 -5.204 0.000) 5.204 13.922 ( -0.000 13.587 0.000) 13.587 14.011 ( 0.000 -14.116 0.000) 14.116 14.423 ( 0.000 -1.323 0.000) 1.323 14.732 ( -0.000 11.589 0.000) 11.589 14.848 ( 0.000 -10.110 0.000) 10.110 15.124 ( -0.000 1.712 0.000) 1.712 15.593 ( 0.000 -8.381 0.000) 8.381 15.856 ( -0.000 17.881 0.000) 17.881 16.377 ( -0.000 9.685 0.000) 9.685 16.663 ( 0.000 -4.152 0.000) 4.152 16.848 ( 0.000 -7.411 0.000) 7.411 17.038 ( 0.000 -10.062 0.000) 10.062 17.338 ( -0.000 10.670 0.000) 10.670 17.466 ( 0.000 -1.008 0.000) 1.008 17.510 ( -0.000 2.141 0.000) 2.141 17.824 ( -0.000 0.972 0.000) 0.972 18.125 ( -0.000 5.413 0.000) 5.413 18.228 ( 0.000 -0.199 0.000) 0.199 18.578 ( -0.000 1.193 0.000) 1.193 18.981 ( -0.000 3.814 0.000) 3.814 19.568 ( -0.000 3.489 0.000) 3.489 19.576 ( 0.000 -3.236 0.000) 3.236 19.858 ( 0.000 -5.246 0.000) 5.246 20.015 ( -0.000 2.957 0.000) 2.957 20.168 ( -0.000 3.964 0.000) 3.964 20.288 ( 0.000 -2.673 0.000) 2.673 20.890 ( 0.000 -0.791 0.000) 0.791 21.217 ( -0.000 1.232 0.000) 1.232 21.316 ( -0.000 2.437 0.000) 2.437 21.479 ( 0.000 -1.663 0.000) 1.663 22.188 ( -0.000 2.428 0.000) 2.428 22.720 ( 0.000 -8.364 0.000) 8.364 23.464 ( -0.000 7.248 0.000) 7.248 24.920 ( -0.000 1.232 0.000) 1.232 25.720 ( 0.000 -5.196 0.000) 5.196 26.042 ( -0.000 0.004 0.000) 0.004 26.061 ( 0.000 -0.030 0.000) 0.030 26.086 ( 0.000 -7.512 0.000) 7.512 26.400 ( -0.000 4.214 0.000) 4.214 26.671 ( -0.000 2.315 0.000) 2.315 26.843 ( 0.000 -2.662 0.000) 2.662 27.730 ( -0.000 1.322 0.000) 1.322 30.016 ( -0.000 0.198 0.000) 0.198 30.055 ( 0.000 -0.257 0.000) 0.257 38.103 ( -0.000 0.051 0.000) 0.051 38.161 ( -0.000 0.120 0.000) 0.120 39.821 ( -0.000 1.095 0.000) 1.095 42.567 ( 0.000 -0.762 0.000) 0.762 ======================= Grid point 41 (24/100) ======================= q-point: (-0.56 0.44 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.146 ( -2.855 -0.000 0.000) 2.855 3.198 ( -10.421 -0.000 0.000) 10.421 3.512 ( -5.419 -0.000 0.000) 5.419 3.542 ( -22.735 -0.000 0.000) 22.735 4.342 ( -12.553 -0.000 0.000) 12.553 4.726 ( -1.498 -0.000 0.000) 1.498 5.039 ( -12.643 -0.000 0.000) 12.643 5.349 ( 7.307 0.000 0.000) 7.307 5.960 ( -20.455 -0.000 0.000) 20.455 6.004 ( -22.062 -0.000 0.000) 22.062 6.123 ( -16.407 -0.000 0.000) 16.407 6.630 ( 7.640 0.000 0.000) 7.640 6.685 ( 12.094 0.000 0.000) 12.094 6.796 ( -1.603 -0.000 0.000) 1.603 7.251 ( -18.224 -0.000 0.000) 18.224 7.359 ( 2.992 0.000 0.000) 2.992 7.920 ( 3.807 0.000 0.000) 3.807 7.977 ( -4.257 -0.000 0.000) 4.257 8.145 ( 8.087 0.000 0.000) 8.087 8.236 ( -13.690 -0.000 0.000) 13.690 8.363 ( 1.359 0.000 0.000) 1.359 8.433 ( -5.709 -0.000 0.000) 5.709 9.185 ( 6.266 0.000 0.000) 6.266 9.298 ( -6.492 -0.000 0.000) 6.492 9.336 ( -2.636 -0.000 0.000) 2.636 9.680 ( -1.093 -0.000 0.000) 1.093 9.803 ( 2.776 0.000 0.000) 2.776 9.893 ( -9.861 -0.000 0.000) 9.861 10.126 ( 0.085 0.000 0.000) 0.085 10.156 ( -8.731 -0.000 0.000) 8.731 10.405 ( 5.867 0.000 0.000) 5.867 10.745 ( -4.782 -0.000 0.000) 4.782 10.858 ( -2.649 -0.000 0.000) 2.649 11.000 ( -27.424 -0.000 0.000) 27.424 11.035 ( -6.714 -0.000 0.000) 6.714 11.863 ( 5.200 0.000 0.000) 5.200 11.880 ( 3.928 0.000 0.000) 3.928 12.774 ( -3.050 -0.000 0.000) 3.050 13.131 ( -4.837 -0.000 0.000) 4.837 13.291 ( -7.414 -0.000 0.000) 7.414 13.485 ( -1.764 -0.000 0.000) 1.764 13.554 ( 0.820 0.000 0.000) 0.820 13.844 ( 13.661 0.000 0.000) 13.661 14.187 ( -3.791 -0.000 0.000) 3.791 14.509 ( -10.830 -0.000 0.000) 10.830 14.630 ( 5.405 0.000 0.000) 5.405 14.699 ( 28.356 0.000 0.000) 28.356 14.926 ( 1.019 0.000 0.000) 1.019 15.589 ( -2.085 -0.000 0.000) 2.085 15.897 ( 17.007 0.000 0.000) 17.007 16.445 ( 4.988 0.000 0.000) 4.988 16.482 ( 25.242 0.000 0.000) 25.242 16.653 ( -1.023 -0.000 0.000) 1.023 16.895 ( -7.309 -0.000 0.000) 7.309 17.418 ( 6.464 0.000 0.000) 6.464 17.604 ( 6.272 0.000 0.000) 6.272 17.702 ( -9.899 -0.000 0.000) 9.899 17.827 ( -14.964 -0.000 0.000) 14.964 18.104 ( 2.860 0.000 0.000) 2.860 18.229 ( -1.462 -0.000 0.000) 1.462 18.379 ( 20.783 0.000 0.000) 20.783 18.904 ( 16.400 0.000 0.000) 16.400 19.502 ( 2.257 0.000 0.000) 2.257 19.591 ( -1.552 -0.000 0.000) 1.552 19.890 ( -6.284 -0.000 0.000) 6.284 20.075 ( 6.955 0.000 0.000) 6.955 20.101 ( -0.698 -0.000 0.000) 0.698 20.361 ( -5.998 -0.000 0.000) 5.998 20.912 ( -3.771 -0.000 0.000) 3.771 21.240 ( -1.162 -0.000 0.000) 1.162 21.373 ( -2.285 -0.000 0.000) 2.285 21.570 ( -10.071 -0.000 0.000) 10.071 22.245 ( 2.298 0.000 0.000) 2.298 22.553 ( 1.220 0.000 0.000) 1.220 23.455 ( 9.258 0.000 0.000) 9.258 24.925 ( 2.989 0.000 0.000) 2.989 25.538 ( 9.597 0.000 0.000) 9.597 25.776 ( 16.078 0.000 0.000) 16.078 26.012 ( 1.200 0.000 0.000) 1.200 26.170 ( -4.904 -0.000 0.000) 4.904 26.521 ( -3.274 -0.000 0.000) 3.274 26.540 ( 12.758 0.000 0.000) 12.758 27.007 ( -19.496 -0.000 0.000) 19.496 27.746 ( -0.514 -0.000 0.000) 0.514 30.039 ( -2.295 -0.000 0.000) 2.295 30.061 ( -1.078 -0.000 0.000) 1.078 38.187 ( -8.177 -0.000 0.000) 8.177 38.486 ( -29.530 -0.000 0.000) 29.530 39.816 ( 1.677 0.000 0.000) 1.677 42.399 ( 15.180 0.000 0.000) 15.180 ======================= Grid point 43 (25/100) ======================= q-point: (-0.44 0.44 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.886 ( -0.000 39.992 0.000) 39.992 2.905 ( -0.000 37.709 0.000) 37.709 3.425 ( 0.000 -23.691 0.000) 23.691 3.662 ( 0.000 -36.715 0.000) 36.715 4.159 ( -0.000 15.762 0.000) 15.762 4.731 ( 0.000 -7.884 0.000) 7.884 4.937 ( -0.000 16.250 0.000) 16.250 5.467 ( -0.000 1.385 0.000) 1.385 5.624 ( 0.000 -1.398 0.000) 1.398 5.713 ( 0.000 -8.063 0.000) 8.063 6.043 ( -0.000 0.201 0.000) 0.201 6.699 ( -0.000 1.007 0.000) 1.007 6.780 ( -0.000 1.270 0.000) 1.270 6.895 ( 0.000 -9.087 0.000) 9.087 7.045 ( -0.000 0.123 0.000) 0.123 7.367 ( 0.000 -0.755 0.000) 0.755 7.845 ( -0.000 20.310 0.000) 20.310 7.988 ( -0.000 0.030 0.000) 0.030 8.067 ( 0.000 -2.699 0.000) 2.699 8.092 ( -0.000 1.194 0.000) 1.194 8.485 ( 0.000 -23.566 0.000) 23.566 8.560 ( 0.000 -0.676 0.000) 0.676 9.156 ( -0.000 11.260 0.000) 11.260 9.249 ( 0.000 -0.797 0.000) 0.797 9.307 ( -0.000 1.358 0.000) 1.358 9.699 ( 0.000 -8.081 0.000) 8.081 9.774 ( -0.000 2.822 0.000) 2.822 9.821 ( -0.000 6.180 0.000) 6.180 10.060 ( -0.000 0.447 0.000) 0.447 10.200 ( 0.000 -9.717 0.000) 9.717 10.412 ( -0.000 3.250 0.000) 3.250 10.680 ( -0.000 3.116 0.000) 3.116 10.731 ( -0.000 0.827 0.000) 0.827 10.855 ( 0.000 -5.708 0.000) 5.708 11.038 ( 0.000 -14.465 0.000) 14.465 11.909 ( -0.000 4.562 0.000) 4.562 11.940 ( 0.000 -4.962 0.000) 4.962 12.713 ( -0.000 7.783 0.000) 7.783 13.085 ( -0.000 0.944 0.000) 0.944 13.158 ( 0.000 -2.501 0.000) 2.501 13.442 ( -0.000 5.150 0.000) 5.150 13.684 ( 0.000 -13.211 0.000) 13.211 13.980 ( -0.000 1.123 0.000) 1.123 14.079 ( -0.000 6.620 0.000) 6.620 14.371 ( 0.000 -3.499 0.000) 3.499 14.739 ( 0.000 -4.100 0.000) 4.100 14.905 ( -0.000 8.984 0.000) 8.984 15.113 ( 0.000 -2.565 0.000) 2.565 15.496 ( 0.000 -3.686 0.000) 3.686 16.063 ( -0.000 8.004 0.000) 8.004 16.492 ( -0.000 5.168 0.000) 5.168 16.616 ( 0.000 -1.786 0.000) 1.786 16.769 ( 0.000 -2.913 0.000) 2.913 16.898 ( 0.000 -6.795 0.000) 6.795 17.455 ( 0.000 -0.397 0.000) 0.397 17.511 ( -0.000 10.227 0.000) 10.227 17.531 ( -0.000 0.734 0.000) 0.734 17.786 ( 0.000 -5.064 0.000) 5.064 18.143 ( 0.000 -0.713 0.000) 0.713 18.227 ( 0.000 -0.036 0.000) 0.036 18.591 ( -0.000 0.425 0.000) 0.425 19.068 ( -0.000 5.182 0.000) 5.182 19.543 ( 0.000 -1.163 0.000) 1.163 19.582 ( 0.000 -0.770 0.000) 0.770 19.806 ( 0.000 -1.663 0.000) 1.663 20.076 ( -0.000 4.111 0.000) 4.111 20.209 ( -0.000 1.462 0.000) 1.462 20.233 ( 0.000 -3.779 0.000) 3.779 20.878 ( 0.000 -0.574 0.000) 0.574 21.231 ( -0.000 0.542 0.000) 0.542 21.344 ( -0.000 1.013 0.000) 1.013 21.460 ( 0.000 -0.730 0.000) 0.730 22.254 ( -0.000 4.669 0.000) 4.669 22.590 ( 0.000 -6.968 0.000) 6.968 23.542 ( -0.000 2.793 0.000) 2.793 24.946 ( -0.000 1.431 0.000) 1.431 25.660 ( 0.000 -2.392 0.000) 2.392 26.002 ( 0.000 -3.175 0.000) 3.175 26.042 ( -0.000 0.002 0.000) 0.002 26.061 ( 0.000 -0.012 0.000) 0.012 26.440 ( -0.000 1.325 0.000) 1.325 26.708 ( -0.000 2.227 0.000) 2.227 26.804 ( 0.000 -2.225 0.000) 2.225 27.744 ( -0.000 0.542 0.000) 0.542 30.018 ( -0.000 0.076 0.000) 0.076 30.052 ( 0.000 -0.103 0.000) 0.103 38.104 ( -0.000 0.020 0.000) 0.020 38.162 ( -0.000 0.047 0.000) 0.047 39.832 ( -0.000 0.430 0.000) 0.430 42.558 ( 0.000 -0.299 0.000) 0.299 ======================= Grid point 85 (26/100) ======================= q-point: ( 0.00 0.00 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 75 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.166 ( 0.000 0.000 53.231) 53.231 1.250 ( 0.000 0.000 57.182) 57.182 1.953 ( 0.000 0.000 88.067) 88.067 3.704 ( 0.000 0.000 4.624) 4.624 4.427 ( 0.000 0.000 5.413) 5.413 4.980 ( 0.000 0.000 -14.838) 14.838 5.240 ( 0.000 0.000 -10.520) 10.520 5.605 ( 0.000 0.000 4.569) 4.569 5.690 ( 0.000 0.000 -20.728) 20.728 5.817 ( 0.000 0.000 -28.925) 28.925 6.017 ( 0.000 0.000 1.419) 1.419 6.345 ( 0.000 0.000 -7.264) 7.264 6.837 ( 0.000 0.000 -13.825) 13.825 7.016 ( 0.000 0.000 -0.867) 0.867 7.271 ( 0.000 0.000 4.917) 4.917 7.297 ( 0.000 0.000 13.571) 13.571 7.625 ( 0.000 0.000 5.196) 5.196 7.812 ( 0.000 0.000 2.271) 2.271 7.981 ( 0.000 0.000 -1.232) 1.232 8.194 ( 0.000 0.000 16.808) 16.808 8.412 ( 0.000 0.000 10.597) 10.597 8.759 ( 0.000 0.000 -12.835) 12.835 8.842 ( 0.000 0.000 -1.213) 1.213 9.108 ( 0.000 0.000 -0.891) 0.891 9.175 ( 0.000 0.000 -9.921) 9.921 9.597 ( 0.000 0.000 3.800) 3.800 10.005 ( 0.000 0.000 -26.956) 26.956 10.302 ( 0.000 0.000 2.307) 2.307 10.420 ( 0.000 0.000 -8.686) 8.686 10.422 ( 0.000 0.000 8.512) 8.512 10.440 ( 0.000 0.000 9.904) 9.904 10.797 ( 0.000 0.000 -5.684) 5.684 11.174 ( 0.000 0.000 -8.044) 8.044 11.184 ( 0.000 0.000 6.257) 6.257 11.446 ( 0.000 0.000 18.592) 18.592 12.029 ( 0.000 0.000 -15.360) 15.360 12.614 ( 0.000 0.000 3.640) 3.640 12.690 ( 0.000 0.000 3.969) 3.969 12.770 ( 0.000 0.000 -4.408) 4.408 13.042 ( 0.000 0.000 -8.737) 8.737 13.490 ( 0.000 0.000 13.058) 13.058 13.559 ( 0.000 0.000 -5.532) 5.532 13.820 ( 0.000 0.000 6.273) 6.273 13.959 ( 0.000 0.000 2.578) 2.578 14.757 ( 0.000 0.000 -2.287) 2.287 14.858 ( 0.000 0.000 -3.757) 3.757 15.046 ( 0.000 0.000 -4.772) 4.772 15.114 ( 0.000 0.000 -4.802) 4.802 15.406 ( 0.000 0.000 6.470) 6.470 15.644 ( 0.000 0.000 7.119) 7.119 16.097 ( 0.000 0.000 6.831) 6.831 16.815 ( 0.000 0.000 1.173) 1.173 16.871 ( 0.000 0.000 -6.043) 6.043 17.105 ( 0.000 0.000 -3.679) 3.679 17.199 ( 0.000 0.000 1.206) 1.206 17.400 ( 0.000 0.000 -1.168) 1.168 17.413 ( 0.000 0.000 2.471) 2.471 17.521 ( 0.000 0.000 1.291) 1.291 18.264 ( 0.000 0.000 1.622) 1.622 18.503 ( 0.000 0.000 -1.898) 1.898 18.973 ( 0.000 0.000 -0.353) 0.353 19.108 ( 0.000 0.000 0.710) 0.710 19.598 ( 0.000 0.000 -6.133) 6.133 19.766 ( 0.000 0.000 2.283) 2.283 19.770 ( 0.000 0.000 -8.315) 8.315 19.974 ( 0.000 0.000 -0.586) 0.586 20.178 ( 0.000 0.000 6.151) 6.151 20.522 ( 0.000 0.000 6.552) 6.552 21.146 ( 0.000 0.000 10.236) 10.236 21.201 ( 0.000 0.000 2.205) 2.205 21.509 ( 0.000 0.000 -2.151) 2.151 21.871 ( 0.000 0.000 0.456) 0.456 22.330 ( 0.000 0.000 -3.490) 3.490 22.423 ( 0.000 0.000 -6.422) 6.422 23.168 ( 0.000 0.000 4.197) 4.197 23.605 ( 0.000 0.000 -2.182) 2.182 24.991 ( 0.000 0.000 2.958) 2.958 25.842 ( 0.000 0.000 -8.637) 8.637 26.043 ( 0.000 0.000 0.074) 0.074 26.060 ( 0.000 0.000 -0.171) 0.171 26.228 ( 0.000 0.000 3.684) 3.684 26.474 ( 0.000 0.000 0.931) 0.931 27.695 ( 0.000 0.000 1.507) 1.507 28.050 ( 0.000 0.000 -3.000) 3.000 30.018 ( 0.000 0.000 0.852) 0.852 30.031 ( 0.000 0.000 0.917) 0.917 38.104 ( 0.000 0.000 0.220) 0.220 38.151 ( 0.000 0.000 -0.450) 0.450 40.892 ( 0.000 0.000 5.059) 5.059 41.675 ( 0.000 0.000 -5.943) 5.943 ======================= Grid point 86 (27/100) ======================= q-point: ( 0.11 0.00 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 243 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.469 ( 32.058 -1.028 34.850) 47.364 1.650 ( 29.114 -19.721 39.855) 53.150 2.908 ( 69.558 -18.752 60.399) 94.010 3.771 ( 5.275 -3.963 4.594) 8.040 4.370 ( -5.676 1.828 -0.543) 5.988 4.953 ( -9.335 -2.317 -3.303) 10.170 5.222 ( -1.454 3.938 -8.761) 9.715 5.553 ( 10.007 2.151 -1.544) 10.351 5.587 ( -6.041 0.765 -10.337) 11.997 5.770 ( 6.807 -0.346 -22.846) 23.841 6.356 ( 17.759 5.129 -10.321) 21.171 6.566 ( 9.427 -4.184 -7.466) 12.733 6.829 ( -5.083 -0.780 1.765) 5.437 7.015 ( -3.672 5.344 7.122) 9.632 7.154 ( -0.008 -6.927 1.287) 7.046 7.412 ( 20.171 4.426 0.194) 20.652 7.813 ( 12.420 4.004 2.341) 13.258 7.912 ( 9.247 -7.242 1.904) 11.899 8.112 ( 4.536 -3.823 4.424) 7.400 8.319 ( 7.472 3.918 6.419) 10.602 8.445 ( 6.498 -0.698 6.559) 9.259 8.637 ( -11.536 -0.392 -7.783) 13.921 8.843 ( 0.890 0.140 -1.170) 1.477 9.050 ( -5.593 -2.471 2.011) 6.436 9.128 ( 1.554 -2.472 -1.064) 3.107 9.722 ( 5.680 3.149 -4.431) 7.862 9.845 ( -11.223 0.506 -17.258) 20.592 10.077 ( -11.401 1.060 1.007) 11.495 10.148 ( -10.434 -1.051 3.041) 10.919 10.436 ( 1.993 6.035 10.461) 12.241 10.704 ( 5.414 4.726 -0.635) 7.214 10.783 ( 14.507 -3.772 -0.700) 15.006 11.134 ( -2.716 8.041 8.685) 12.144 11.262 ( -4.067 -6.856 10.532) 13.208 11.538 ( 22.768 2.912 -2.268) 23.066 12.010 ( 0.258 4.446 -14.715) 15.374 12.500 ( -1.933 6.617 1.249) 7.006 12.702 ( -1.031 -0.888 1.850) 2.297 12.766 ( 2.250 10.060 -3.663) 10.940 13.134 ( -0.025 -12.068 -6.505) 13.710 13.413 ( 1.774 7.610 7.328) 10.713 13.593 ( 1.122 -9.028 -0.364) 9.104 13.987 ( 15.303 10.151 3.986) 18.791 14.180 ( 10.484 -12.691 0.087) 16.462 14.681 ( -16.129 2.712 -1.230) 16.401 14.774 ( -3.258 1.876 0.705) 3.826 14.938 ( -5.805 7.660 -5.964) 11.311 15.057 ( -3.821 -2.303 0.140) 4.463 15.331 ( -7.338 1.337 5.163) 9.072 15.490 ( -14.693 -9.890 4.468) 18.266 16.074 ( -3.121 0.719 5.894) 6.708 16.349 ( -27.468 -3.538 12.383) 30.337 16.686 ( -20.280 0.824 -0.955) 20.319 16.789 ( -8.232 -5.785 -1.431) 10.163 17.137 ( -1.880 -2.566 -3.712) 4.888 17.395 ( 7.332 2.971 -4.885) 9.298 17.538 ( 5.211 -4.945 7.021) 10.046 17.906 ( -0.858 -2.341 7.141) 7.563 18.154 ( -5.416 0.522 1.001) 5.533 18.322 ( -16.367 -0.755 -1.659) 16.468 19.007 ( -8.004 5.528 0.982) 9.777 19.140 ( 9.476 8.564 -9.299) 15.799 19.354 ( -4.782 13.077 -3.710) 14.409 19.584 ( -3.696 -12.914 -8.070) 15.671 20.038 ( 6.812 9.562 -0.799) 11.767 20.154 ( 6.551 -4.483 -1.889) 8.160 20.245 ( 4.804 -2.347 3.122) 6.191 20.657 ( 11.898 13.410 2.463) 18.096 21.096 ( 1.276 11.793 10.235) 15.667 21.184 ( 0.167 -1.142 4.700) 4.839 21.481 ( -1.956 13.251 5.591) 14.515 21.691 ( 1.661 2.840 5.252) 6.197 22.280 ( -3.360 6.394 -4.914) 8.736 22.469 ( -5.766 -17.022 -4.416) 18.507 23.247 ( -2.109 -17.464 -1.150) 17.629 23.548 ( -14.154 -31.575 0.089) 34.602 24.996 ( 0.374 -0.308 2.686) 2.729 25.777 ( -5.533 1.602 -7.606) 9.541 26.077 ( 2.748 0.316 0.329) 2.786 26.170 ( 0.998 -1.636 -1.245) 2.285 26.414 ( 12.912 1.007 -5.125) 13.929 26.498 ( 3.597 -0.007 0.459) 3.627 27.675 ( -1.089 1.980 0.608) 2.340 27.888 ( -4.524 8.424 0.474) 9.574 30.043 ( 2.507 0.159 0.622) 2.588 30.054 ( 2.057 -1.436 0.553) 2.569 38.198 ( 9.220 0.019 0.997) 9.274 38.803 ( 41.196 6.255 -28.771) 50.636 40.586 ( -11.468 22.027 19.065) 31.307 41.701 ( -9.605 -19.498 -10.586) 24.176 ======================= Grid point 87 (28/100) ======================= q-point: ( 0.22 0.00 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 243 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.286 ( 41.312 -13.568 15.579) 46.190 2.448 ( 37.415 -15.438 19.290) 44.836 3.918 ( 6.822 -5.370 3.865) 9.504 4.231 ( -1.739 2.075 -2.850) 3.930 4.416 ( 53.649 -14.666 33.973) 65.172 4.764 ( -8.588 -5.913 15.358) 18.563 5.155 ( 1.542 3.959 -7.212) 8.370 5.604 ( 14.223 4.467 -7.290) 16.595 5.800 ( 8.031 -0.465 -14.871) 16.907 6.121 ( 19.086 -0.633 -12.341) 22.737 6.344 ( -7.144 1.711 1.623) 7.523 6.585 ( -4.654 -0.226 4.998) 6.833 6.781 ( 1.690 3.398 -2.297) 4.436 7.005 ( 5.514 -6.448 2.390) 8.814 7.422 ( 19.090 0.755 0.060) 19.105 7.758 ( 7.948 13.771 -0.246) 15.902 7.911 ( -4.098 1.981 -0.675) 4.601 8.056 ( 0.875 4.978 1.739) 5.345 8.209 ( 7.859 -4.673 -2.865) 9.582 8.310 ( -1.128 4.080 -0.162) 4.236 8.441 ( -0.571 -5.391 8.662) 10.219 8.608 ( 3.574 -5.620 -13.322) 14.894 8.945 ( 4.998 -5.577 4.058) 8.517 9.116 ( 12.014 -6.837 6.125) 15.119 9.390 ( 14.933 4.187 -1.109) 15.548 9.568 ( 0.232 2.753 -12.021) 12.334 9.739 ( -7.212 1.630 -1.980) 7.655 9.985 ( -2.570 -4.321 -4.650) 6.848 10.109 ( 4.389 -3.642 3.261) 6.570 10.536 ( 10.349 2.288 9.077) 13.954 10.808 ( 10.138 7.556 -2.747) 12.939 10.978 ( 3.205 4.543 2.552) 6.117 11.072 ( 6.017 4.777 8.678) 11.590 11.364 ( 7.244 -11.276 3.586) 13.874 11.981 ( 19.588 2.137 -2.190) 19.825 12.020 ( 6.644 5.822 -16.431) 18.655 12.460 ( 3.512 10.469 -1.822) 11.191 12.643 ( 3.576 12.665 -6.342) 14.608 12.771 ( 2.824 2.880 0.376) 4.051 13.201 ( -0.248 -7.778 -4.232) 8.858 13.502 ( 7.674 2.537 0.897) 8.132 13.727 ( 4.230 -3.357 -0.261) 5.407 14.123 ( -11.585 4.725 4.368) 13.252 14.204 ( -11.826 2.342 3.300) 12.499 14.348 ( -1.022 -3.197 0.998) 3.501 14.605 ( -15.487 -4.516 0.540) 16.141 14.805 ( -0.438 8.428 1.083) 8.509 14.972 ( -7.050 1.917 -1.279) 7.417 15.176 ( -4.454 -0.521 3.704) 5.817 15.331 ( -6.150 -5.947 0.448) 8.567 15.867 ( -17.691 -7.800 3.746) 19.694 16.048 ( -7.847 -4.489 4.010) 9.890 16.453 ( -10.406 -2.020 -4.080) 11.358 16.653 ( -8.354 -11.669 -2.508) 14.569 17.153 ( -0.952 0.670 -3.153) 3.361 17.365 ( -10.912 0.094 6.238) 12.570 17.563 ( -5.864 -2.062 8.424) 10.469 17.708 ( -15.984 -2.943 -2.180) 16.398 17.938 ( -12.709 3.020 3.832) 13.613 18.154 ( -2.358 -4.898 1.186) 5.563 18.727 ( -14.136 6.322 2.831) 15.742 19.142 ( -2.467 1.378 -4.761) 5.537 19.288 ( 3.745 9.312 -3.616) 10.668 19.714 ( 6.849 -5.156 -8.735) 12.238 20.031 ( 0.053 7.380 0.502) 7.397 20.211 ( -1.487 -1.703 0.855) 2.417 20.350 ( 3.740 1.186 -0.507) 3.956 20.632 ( -1.270 13.881 2.750) 14.208 21.039 ( -0.505 9.600 8.236) 12.659 21.248 ( 4.696 0.070 7.679) 9.001 21.431 ( 4.579 3.001 7.036) 8.915 21.800 ( 6.213 -3.945 -2.988) 7.943 22.164 ( -4.487 2.391 -2.494) 5.662 22.433 ( -6.356 -6.822 -2.107) 9.559 23.286 ( -5.179 -11.999 -0.455) 13.077 23.573 ( -4.323 -23.550 -3.252) 24.163 25.005 ( 0.172 -0.277 2.072) 2.098 25.619 ( -8.877 2.233 -5.733) 10.801 26.122 ( 2.144 0.918 0.347) 2.358 26.164 ( -2.281 -1.030 0.220) 2.513 26.548 ( 6.735 2.887 1.492) 7.479 26.612 ( 4.690 -1.062 1.065) 4.925 27.635 ( 0.025 4.535 -1.306) 4.720 27.845 ( 3.177 3.581 -5.554) 7.333 30.095 ( 2.880 -0.312 0.883) 3.028 30.137 ( 5.065 -0.065 -0.515) 5.091 38.429 ( 13.584 0.186 2.705) 13.852 39.352 ( 21.978 6.369 -20.430) 30.675 40.278 ( -6.732 13.784 16.641) 22.633 41.579 ( -13.445 -11.613 -9.798) 20.289 ======================= Grid point 88 (29/100) ======================= q-point: ( 0.33 0.00 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 243 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.088 ( 29.001 -10.526 11.788) 33.028 3.333 ( 42.573 -10.441 1.759) 43.870 4.014 ( 3.066 -0.310 -1.676) 3.508 4.288 ( 3.377 -6.899 7.515) 10.746 4.629 ( -3.086 -1.363 15.326) 15.693 4.952 ( 4.578 -4.551 4.107) 7.651 5.335 ( 6.843 -5.086 3.889) 9.371 5.689 ( -8.978 10.242 -2.334) 13.819 6.009 ( -4.847 -3.401 0.045) 5.921 6.207 ( 0.226 -0.681 1.183) 1.384 6.331 ( 18.594 3.625 0.614) 18.955 6.753 ( 3.616 -0.463 1.732) 4.036 6.915 ( 14.081 0.841 -7.917) 16.176 7.200 ( -1.064 -6.638 -3.797) 7.721 7.479 ( 3.685 8.265 2.459) 9.378 7.700 ( 7.595 5.471 1.907) 9.553 7.874 ( 8.851 4.841 6.254) 11.870 8.013 ( -1.265 3.851 -4.840) 6.313 8.299 ( 0.323 -2.489 -1.316) 2.834 8.423 ( 6.205 3.569 -14.121) 15.831 8.571 ( 9.140 -9.282 11.527) 17.394 8.800 ( 8.024 -11.333 -13.658) 19.477 9.072 ( 3.925 -3.844 3.984) 6.786 9.309 ( -7.767 0.197 -14.087) 16.087 9.382 ( 8.349 4.261 6.631) 11.481 9.665 ( 5.766 0.769 -4.645) 7.444 9.882 ( 10.995 -6.263 -1.113) 12.702 10.055 ( 9.427 3.372 6.460) 11.915 10.213 ( 4.211 -6.482 3.690) 8.565 10.670 ( -0.135 -4.231 8.896) 9.852 10.997 ( 17.256 14.108 2.382) 22.416 11.046 ( 6.899 1.899 -2.063) 7.447 11.369 ( 25.173 3.159 0.210) 25.372 11.555 ( 4.965 -5.275 3.461) 8.029 12.118 ( 6.755 8.332 -5.193) 11.918 12.202 ( 1.022 -1.289 -4.613) 4.897 12.462 ( 4.035 3.986 -4.470) 7.221 12.623 ( -8.800 3.379 -5.275) 10.802 12.877 ( 16.140 16.793 -3.526) 23.557 13.179 ( -12.089 14.285 5.939) 19.633 13.297 ( -5.257 -1.217 -8.016) 9.663 13.793 ( 1.440 -8.033 -2.525) 8.543 13.967 ( 0.389 -1.856 -4.462) 4.848 14.083 ( -8.568 -0.065 7.400) 11.322 14.199 ( -13.227 -6.129 -2.439) 14.781 14.374 ( -7.413 1.244 -3.163) 8.155 14.701 ( -4.488 -2.060 3.661) 6.147 15.005 ( 8.659 4.023 1.431) 9.655 15.103 ( 1.395 3.201 1.111) 3.664 15.347 ( -2.250 -4.944 -0.605) 5.465 15.708 ( -5.402 -9.690 4.124) 11.835 15.918 ( -7.853 -6.962 2.075) 10.698 16.263 ( -7.673 0.423 -6.850) 10.295 16.660 ( -2.226 -11.442 0.206) 11.658 16.939 ( -18.740 4.353 5.982) 20.147 17.070 ( -19.220 -1.889 4.195) 19.763 17.302 ( -14.347 2.409 0.389) 14.553 17.370 ( -19.625 -2.694 -1.051) 19.837 17.886 ( 3.084 -1.832 3.750) 5.190 18.195 ( 1.068 -7.867 3.762) 8.786 18.440 ( -8.582 5.192 4.424) 10.963 19.052 ( -5.277 3.807 -2.368) 6.925 19.314 ( 3.919 5.900 -0.175) 7.085 19.840 ( 2.960 -0.601 -2.061) 3.656 19.982 ( 0.837 4.264 0.741) 4.408 20.161 ( -3.245 0.998 -0.660) 3.458 20.326 ( -4.149 4.058 -2.789) 6.439 20.507 ( -1.821 6.816 0.589) 7.080 20.998 ( 1.184 1.237 7.027) 7.232 21.290 ( -1.957 -3.878 5.928) 7.349 21.554 ( 10.523 7.570 3.230) 13.360 21.969 ( 8.145 -2.401 -3.150) 9.057 22.063 ( -7.423 -4.974 -0.885) 8.979 22.351 ( -3.767 0.550 -0.305) 3.819 23.249 ( -5.278 -7.448 0.185) 9.130 23.691 ( 1.140 -13.713 -5.604) 14.857 25.007 ( 0.040 -0.391 1.476) 1.528 25.422 ( -8.939 2.215 -3.608) 9.891 26.111 ( -2.560 0.401 0.542) 2.647 26.149 ( 1.159 1.030 -0.550) 1.645 26.659 ( 5.667 1.440 3.150) 6.642 26.693 ( 3.557 -0.091 4.294) 5.577 27.622 ( 1.729 3.916 -2.922) 5.183 27.903 ( 3.397 0.388 -7.594) 8.328 30.154 ( 2.767 -0.225 0.851) 2.904 30.231 ( 4.443 0.504 -1.008) 4.583 38.683 ( 11.640 0.325 4.320) 12.420 39.631 ( 10.891 2.096 -6.426) 12.818 40.101 ( -3.297 8.666 6.583) 11.372 41.395 ( -11.201 -5.899 -9.260) 15.685 ======================= Grid point 89 (30/100) ======================= q-point: ( 0.44 0.00 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 243 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.534 ( 11.652 -0.979 2.617) 11.982 4.042 ( 9.909 -1.640 4.244) 10.904 4.165 ( 18.819 -5.783 -0.993) 19.712 4.325 ( -2.823 -3.573 15.113) 15.784 4.672 ( 6.183 -2.073 12.283) 13.907 5.054 ( -4.059 -4.380 -7.573) 9.644 5.296 ( -3.878 2.556 -0.723) 4.700 5.461 ( -6.517 5.215 7.516) 11.232 5.955 ( 1.078 -10.186 9.909) 14.251 6.201 ( -4.993 3.821 -6.824) 9.278 6.459 ( 9.599 14.811 1.516) 17.714 6.678 ( -11.653 -4.613 2.416) 12.763 6.946 ( 0.392 2.579 2.198) 3.411 7.007 ( -11.375 -3.558 2.736) 12.229 7.722 ( 2.399 2.992 -8.736) 9.540 7.865 ( 15.207 4.078 -8.621) 17.950 8.065 ( 5.898 0.076 -4.345) 7.326 8.216 ( 9.278 -2.327 1.573) 9.694 8.307 ( 4.059 -6.062 -4.840) 8.755 8.427 ( 0.051 4.971 -13.495) 14.382 8.761 ( 4.520 -1.422 -5.776) 7.471 8.964 ( -2.059 -4.555 0.160) 5.002 9.103 ( -2.811 -2.126 5.381) 6.433 9.197 ( -2.084 2.917 -8.545) 9.266 9.607 ( 14.727 0.671 2.659) 14.980 9.864 ( 13.137 -11.514 4.691) 18.088 10.029 ( 5.449 1.149 -7.059) 8.992 10.197 ( 4.772 -3.382 3.310) 6.720 10.436 ( 8.617 -4.359 21.237) 23.330 10.719 ( 5.498 -5.537 -2.071) 8.073 10.960 ( -11.984 7.379 4.934) 14.913 11.287 ( 5.879 5.961 -6.274) 10.462 11.364 ( -22.910 12.154 12.301) 28.703 11.691 ( 16.729 2.692 3.625) 17.327 12.115 ( 10.074 -0.497 -7.360) 12.486 12.212 ( -13.410 10.377 -4.273) 17.486 12.412 ( 6.076 -0.945 -2.578) 6.668 12.493 ( -5.311 -3.290 4.875) 7.924 12.959 ( 3.392 -7.176 -4.114) 8.940 13.164 ( 14.448 19.245 -5.832) 24.762 13.327 ( -6.086 -11.373 -0.918) 12.932 13.696 ( -2.337 2.859 -4.288) 5.659 13.877 ( -5.426 -4.427 -4.504) 8.326 14.028 ( -1.344 4.513 -4.246) 6.341 14.177 ( 1.540 -3.347 -4.940) 6.163 14.243 ( -7.374 -0.742 -11.597) 13.762 14.723 ( 5.795 -0.934 1.198) 5.991 15.015 ( -5.715 1.327 6.540) 8.786 15.202 ( 3.966 -0.776 3.488) 5.338 15.303 ( 1.828 -1.490 -1.996) 3.089 15.762 ( 2.877 -6.204 4.829) 8.372 15.958 ( 4.296 1.952 -2.447) 5.315 16.169 ( 2.127 -0.374 2.910) 3.624 16.499 ( -22.330 0.187 1.212) 22.363 16.619 ( -8.912 -1.742 -1.273) 9.170 16.784 ( -6.162 -5.723 5.388) 9.988 17.024 ( -8.500 2.046 4.773) 9.960 17.130 ( -6.107 1.189 1.739) 6.460 17.969 ( 3.768 -1.793 0.610) 4.217 18.140 ( -6.665 1.038 2.402) 7.160 18.477 ( 6.917 -6.402 5.206) 10.767 18.882 ( -6.676 6.406 -1.466) 9.368 19.330 ( 1.149 2.978 4.205) 5.279 19.858 ( 0.060 0.527 2.453) 2.509 20.021 ( 4.614 1.358 -0.574) 4.844 20.106 ( -1.700 -0.834 0.206) 1.905 20.191 ( -5.747 2.429 -1.685) 6.463 20.457 ( -0.560 1.681 -3.467) 3.894 21.038 ( 2.031 -0.244 6.629) 6.938 21.258 ( -2.549 -2.069 0.893) 3.402 21.696 ( 8.764 7.133 1.765) 11.437 21.938 ( -8.224 -6.196 0.188) 10.298 22.124 ( 4.809 -1.506 -0.543) 5.068 22.290 ( -1.574 1.720 -0.843) 2.479 23.210 ( -2.121 -2.470 0.370) 3.277 23.786 ( 1.054 -4.635 -6.578) 8.116 25.017 ( 0.485 -0.567 0.989) 1.239 25.270 ( -4.336 1.361 -2.053) 4.987 26.071 ( -0.993 0.352 0.589) 1.207 26.158 ( 0.348 0.458 -1.533) 1.637 26.728 ( 1.916 0.437 4.983) 5.356 26.748 ( 1.728 0.049 4.466) 4.789 27.632 ( 1.065 1.497 -3.648) 4.085 27.951 ( 1.271 -0.249 -7.738) 7.846 30.195 ( 1.151 -0.069 0.781) 1.393 30.290 ( 1.721 0.285 -1.236) 2.138 38.845 ( 4.584 0.174 5.274) 6.989 39.761 ( 3.200 -0.470 9.035) 9.597 40.014 ( -0.843 3.805 -7.547) 8.494 41.265 ( -4.408 -1.826 -9.180) 10.346 ======================= Grid point 95 (31/100) ======================= q-point: ( 0.11 0.11 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 135 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.182 ( 39.750 0.000 21.097) 45.001 2.328 ( 44.672 0.000 16.746) 47.707 3.872 ( 11.167 0.000 6.786) 13.067 4.249 ( -7.065 -0.000 -4.466) 8.358 4.297 ( 60.264 0.000 37.654) 71.060 4.713 ( -9.151 -0.000 14.030) 16.751 5.188 ( -1.034 -0.000 -10.184) 10.236 5.643 ( 18.118 0.000 -5.432) 18.914 5.796 ( 8.075 0.000 -16.723) 18.570 6.118 ( 18.513 0.000 -11.054) 21.562 6.352 ( -19.300 -0.000 6.450) 20.350 6.589 ( 5.095 0.000 -1.488) 5.308 6.816 ( 7.020 0.000 -9.851) 12.096 6.942 ( -3.639 -0.000 10.713) 11.315 7.430 ( 24.511 0.000 0.932) 24.529 7.860 ( -0.433 -0.000 2.699) 2.734 8.008 ( -8.317 -0.000 9.371) 12.530 8.024 ( 16.225 0.000 -4.236) 16.769 8.140 ( 13.791 0.000 -5.840) 14.977 8.350 ( -10.558 -0.000 10.050) 14.576 8.470 ( 3.756 0.000 -14.534) 15.012 8.513 ( -5.433 -0.000 -1.323) 5.592 8.889 ( 6.488 0.000 -0.338) 6.497 9.069 ( 15.326 0.000 10.522) 18.590 9.439 ( 22.675 0.000 4.508) 23.119 9.564 ( -10.989 -0.000 -11.886) 16.187 9.802 ( 0.819 0.000 -6.826) 6.875 9.899 ( -8.848 -0.000 -8.198) 12.062 10.090 ( 6.711 0.000 2.945) 7.329 10.552 ( 5.498 0.000 12.487) 13.644 10.873 ( 10.701 0.000 -9.427) 14.261 11.035 ( 8.177 0.000 4.659) 9.411 11.114 ( -0.715 -0.000 14.873) 14.890 11.246 ( 9.871 0.000 0.904) 9.912 11.990 ( 16.529 0.000 -1.931) 16.642 12.069 ( 5.664 0.000 -16.300) 17.256 12.532 ( 4.638 0.000 -2.462) 5.251 12.732 ( 0.967 0.000 -5.926) 6.005 12.879 ( 5.493 0.000 -2.655) 6.101 13.063 ( 3.304 0.000 -5.706) 6.594 13.617 ( 11.484 0.000 10.354) 15.462 13.621 ( 3.492 0.000 -6.405) 7.295 14.165 ( -6.762 -0.000 -1.227) 6.873 14.262 ( -23.025 -0.000 2.668) 23.179 14.267 ( 2.387 0.000 7.889) 8.243 14.581 ( -16.749 -0.000 2.243) 16.899 14.880 ( -3.889 -0.000 0.220) 3.895 14.987 ( -0.683 -0.000 -6.069) 6.107 15.218 ( -8.596 -0.000 3.648) 9.338 15.227 ( -3.868 -0.000 8.244) 9.106 15.808 ( -19.352 -0.000 -2.075) 19.463 16.012 ( -7.166 -0.000 6.457) 9.646 16.477 ( -4.768 -0.000 3.147) 5.713 16.520 ( -13.264 -0.000 -11.017) 17.242 17.158 ( 1.843 0.000 -3.222) 3.712 17.368 ( -12.010 -0.000 7.011) 13.907 17.551 ( -5.150 -0.000 10.636) 11.817 17.680 ( -16.290 -0.000 -1.934) 16.404 17.975 ( -14.178 -0.000 4.141) 14.770 18.104 ( -1.856 -0.000 -0.298) 1.880 18.778 ( -14.965 -0.000 4.638) 15.668 19.133 ( -3.663 -0.000 -4.915) 6.129 19.390 ( -1.038 -0.000 -3.506) 3.657 19.662 ( 11.501 0.000 -10.620) 15.655 20.106 ( -3.400 -0.000 1.261) 3.626 20.175 ( 1.343 0.000 -1.705) 2.170 20.359 ( 4.589 0.000 0.562) 4.623 20.734 ( -4.631 -0.000 -2.297) 5.169 21.175 ( 1.045 0.000 8.716) 8.779 21.206 ( -4.355 -0.000 13.476) 14.162 21.597 ( 4.984 0.000 2.569) 5.607 21.657 ( 6.945 0.000 -2.831) 7.500 22.200 ( -9.204 -0.000 -3.445) 9.828 22.354 ( 0.706 0.000 -2.120) 2.234 23.093 ( -2.949 -0.000 2.991) 4.200 23.458 ( 4.699 0.000 -1.065) 4.818 25.004 ( 0.381 0.000 2.015) 2.051 25.635 ( -9.312 -0.000 -6.180) 11.176 26.130 ( 2.233 0.000 0.528) 2.295 26.153 ( -1.586 -0.000 0.453) 1.649 26.582 ( 5.486 0.000 2.054) 5.858 26.592 ( 5.646 0.000 0.279) 5.653 27.668 ( 0.004 0.000 -1.395) 1.395 27.877 ( 0.389 0.000 -5.906) 5.919 30.092 ( 2.910 0.000 0.745) 3.004 30.136 ( 5.483 0.000 -0.946) 5.564 38.431 ( 13.638 0.000 2.758) 13.914 39.399 ( 19.248 0.000 -21.034) 28.511 40.411 ( -11.347 -0.000 11.398) 16.083 41.469 ( -8.764 -0.000 -6.673) 11.015 ======================= Grid point 96 (32/100) ======================= q-point: ( 0.22 0.11 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 243 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.978 ( 37.574 -3.926 10.579) 39.232 3.224 ( 43.821 -3.996 2.325) 44.064 4.053 ( 6.481 4.993 2.028) 8.429 4.177 ( 0.510 -7.424 3.448) 8.202 4.612 ( -1.809 -0.658 13.839) 13.972 4.864 ( 4.270 -4.608 12.095) 13.630 5.306 ( 7.549 0.014 0.212) 7.552 5.843 ( -8.497 9.419 -3.566) 13.177 5.955 ( -8.709 -4.764 3.374) 10.485 6.148 ( -4.031 -4.029 -1.460) 5.884 6.403 ( 39.106 3.780 -0.238) 39.289 6.750 ( -1.017 -0.169 2.942) 3.117 6.945 ( 8.911 3.078 -8.489) 12.686 7.067 ( 3.961 -8.231 -2.174) 9.389 7.633 ( 3.218 9.535 -0.113) 10.064 7.736 ( 0.387 -1.554 -0.087) 1.603 7.946 ( 12.349 4.071 10.962) 17.007 8.094 ( -7.868 5.767 2.029) 9.964 8.253 ( -5.569 -2.494 0.838) 6.159 8.394 ( 7.381 -8.432 6.009) 12.716 8.514 ( 13.540 4.793 -11.585) 18.453 8.634 ( 8.280 -10.239 -14.410) 19.521 9.068 ( 7.729 2.021 -2.008) 8.237 9.277 ( -4.997 -3.131 -8.187) 10.089 9.496 ( 7.453 9.851 7.916) 14.671 9.638 ( 2.622 -6.304 3.147) 7.518 9.803 ( 8.358 -2.334 -12.581) 15.284 10.044 ( 11.102 -2.362 6.258) 12.961 10.224 ( 3.429 3.784 3.172) 6.011 10.600 ( -0.789 -3.796 6.422) 7.501 11.056 ( 6.383 0.635 -2.606) 6.924 11.201 ( 18.501 11.741 -0.372) 21.915 11.353 ( 21.172 -6.712 -2.426) 22.343 11.498 ( 13.729 -0.712 9.512) 16.718 12.146 ( 3.357 -1.542 5.253) 6.422 12.228 ( 5.623 2.547 -9.317) 11.176 12.544 ( -4.346 5.151 -3.869) 7.771 12.644 ( -6.952 -0.454 -14.783) 16.343 13.054 ( 13.378 6.458 -2.926) 15.141 13.302 ( 6.855 0.832 -12.392) 14.186 13.414 ( -21.530 15.624 -0.376) 26.604 13.642 ( -9.801 -12.281 -1.963) 15.835 13.941 ( -13.137 1.292 2.366) 13.411 14.043 ( -4.301 -7.349 6.726) 10.851 14.107 ( 1.390 -1.756 6.931) 7.284 14.435 ( 0.794 3.034 -1.705) 3.570 14.737 ( -7.466 6.499 0.828) 9.933 15.000 ( 0.081 -5.437 4.309) 6.938 15.152 ( 3.608 3.735 -1.620) 5.440 15.230 ( -3.823 -7.299 -1.822) 8.438 15.663 ( 0.767 2.228 -0.062) 2.357 15.807 ( -8.477 -6.958 7.349) 13.202 16.320 ( -4.016 7.102 -7.766) 11.264 16.478 ( -2.483 -11.652 -2.156) 12.107 16.995 ( -21.580 2.620 9.409) 23.688 17.053 ( -17.554 -0.961 2.958) 17.828 17.325 ( -16.492 0.524 -0.530) 16.508 17.353 ( -11.732 0.040 -1.217) 11.795 17.873 ( 2.007 0.031 9.602) 9.809 18.094 ( -0.560 -4.461 -1.868) 4.869 18.503 ( -10.713 2.536 8.535) 13.930 19.056 ( -5.146 -0.815 -3.119) 6.072 19.410 ( 4.223 4.286 -1.239) 6.143 19.829 ( 4.267 -0.568 -2.607) 5.033 20.031 ( -1.526 1.966 2.443) 3.487 20.165 ( -2.677 -0.195 -3.374) 4.311 20.378 ( -2.271 2.457 -0.674) 3.413 20.574 ( -9.715 1.754 -7.986) 12.697 21.065 ( -0.662 6.762 12.682) 14.387 21.205 ( -2.264 -6.673 6.845) 9.823 21.712 ( 11.971 12.653 1.109) 17.454 21.889 ( 8.253 -8.684 -2.592) 12.258 22.015 ( -9.008 -1.582 -0.282) 9.150 22.356 ( -1.048 0.074 -1.137) 1.549 23.075 ( -3.784 -9.890 1.967) 10.770 23.604 ( 8.949 -1.140 -4.769) 10.204 25.007 ( 0.079 0.147 1.405) 1.414 25.441 ( -9.662 0.534 -3.951) 10.452 26.113 ( -2.282 0.035 0.539) 2.345 26.160 ( 0.921 0.343 -0.339) 1.040 26.678 ( 4.527 0.944 3.663) 5.899 26.689 ( 4.027 -0.414 3.899) 5.621 27.678 ( 1.816 2.722 -3.220) 4.591 27.895 ( 0.978 -0.875 -7.552) 7.665 30.152 ( 2.883 -0.079 0.681) 2.963 30.237 ( 4.452 0.185 -1.399) 4.671 38.686 ( 11.625 0.137 4.436) 12.443 39.648 ( 8.151 0.448 -4.524) 9.333 40.215 ( -6.441 5.108 1.923) 8.443 41.318 ( -7.896 -3.393 -7.752) 11.574 ======================= Grid point 97 (33/100) ======================= q-point: ( 0.33 0.11 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 243 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.549 ( 16.355 2.632 2.567) 16.763 3.996 ( 23.902 -7.157 -2.248) 25.052 4.118 ( 9.725 2.733 3.787) 10.788 4.307 ( 7.522 0.081 12.701) 14.762 4.652 ( 5.295 -0.509 10.461) 11.736 4.934 ( -3.333 -9.148 0.751) 9.765 5.310 ( -3.511 -0.751 3.699) 5.155 5.571 ( -9.777 6.539 2.899) 12.114 5.844 ( -1.328 -3.245 11.118) 11.658 6.216 ( 2.511 -1.166 -6.939) 7.471 6.534 ( -14.659 -3.556 0.332) 15.088 6.708 ( -1.924 6.628 -6.734) 9.643 6.963 ( -1.351 0.065 3.802) 4.035 7.012 ( -3.437 3.525 4.279) 6.523 7.793 ( -0.180 6.124 -3.817) 7.218 7.911 ( 10.321 1.206 -8.228) 13.255 8.058 ( 4.976 -0.469 -4.771) 6.909 8.143 ( 6.109 -5.442 0.855) 8.226 8.256 ( 7.279 -1.819 -1.480) 7.648 8.467 ( -0.509 0.260 -10.203) 10.219 8.736 ( 7.762 -1.816 -5.421) 9.641 8.895 ( 3.021 -4.041 2.997) 5.868 9.107 ( -2.364 2.933 -7.431) 8.331 9.232 ( 6.539 0.309 -5.818) 8.758 9.598 ( 18.092 -0.002 3.786) 18.484 9.758 ( 3.609 -4.165 4.808) 7.313 10.052 ( 6.292 2.587 -3.004) 7.437 10.169 ( 0.751 -0.267 2.125) 2.269 10.309 ( 10.272 -11.021 16.591) 22.411 10.638 ( 4.832 -3.799 2.337) 6.576 11.081 ( -4.107 6.030 1.911) 7.542 11.421 ( 4.496 10.957 -4.785) 12.774 11.552 ( -14.946 10.913 6.289) 19.545 11.729 ( 4.514 2.415 3.607) 6.262 12.098 ( 5.903 -0.559 -4.564) 7.483 12.243 ( -4.283 -5.481 -0.493) 6.974 12.442 ( -0.582 -1.671 4.479) 4.815 12.510 ( -18.559 11.064 -3.361) 21.866 12.837 ( 3.564 -8.417 -10.401) 13.847 13.115 ( -20.753 -11.761 3.949) 24.178 13.383 ( 14.872 6.662 -7.669) 18.010 13.658 ( -6.106 -9.651 -11.395) 16.133 13.887 ( 11.482 7.796 -6.315) 15.247 14.106 ( -0.157 -2.334 -3.312) 4.055 14.180 ( 0.670 11.548 2.880) 11.921 14.314 ( -3.128 8.743 -6.864) 11.547 14.741 ( 10.000 0.236 2.185) 10.239 14.957 ( -14.073 -7.441 1.755) 16.016 15.091 ( 1.637 -9.063 6.715) 11.398 15.314 ( 4.215 -0.977 -6.864) 8.114 15.724 ( 7.893 2.935 4.968) 9.778 15.945 ( 8.779 -5.326 4.309) 11.136 16.197 ( -2.162 5.566 0.309) 5.979 16.450 ( -14.951 -7.312 -1.768) 16.737 16.598 ( -8.357 -0.232 1.384) 8.474 16.724 ( -8.825 -1.927 2.606) 9.401 17.062 ( -6.249 2.035 4.697) 8.078 17.182 ( -5.375 4.679 3.638) 8.001 17.952 ( 4.592 -0.163 0.588) 4.632 18.121 ( -2.511 -4.000 0.168) 4.726 18.393 ( 1.449 -3.308 9.786) 10.431 18.926 ( -8.459 0.394 -0.851) 8.510 19.439 ( 2.599 9.198 2.352) 9.843 19.851 ( -0.892 -1.424 1.688) 2.382 20.038 ( 1.913 0.950 0.570) 2.211 20.095 ( -3.642 -0.606 -1.423) 3.957 20.244 ( -5.969 4.845 -1.941) 7.929 20.435 ( -5.465 -4.540 -4.684) 8.510 21.071 ( 3.388 4.225 6.830) 8.717 21.212 ( -0.311 -3.920 1.694) 4.282 21.759 ( -6.666 -0.407 -0.183) 6.681 21.923 ( 6.878 5.703 2.703) 9.334 22.098 ( 6.380 -2.409 -1.186) 6.922 22.315 ( -2.407 1.311 -0.925) 2.893 23.085 ( -2.718 -10.932 1.703) 11.392 23.788 ( 9.782 2.697 -6.906) 12.274 25.013 ( 0.682 -0.109 1.040) 1.248 25.280 ( -5.973 0.130 -2.253) 6.385 26.075 ( -1.351 0.180 0.483) 1.446 26.163 ( -0.306 0.173 -1.325) 1.371 26.733 ( 1.327 0.229 4.997) 5.176 26.747 ( 1.437 -0.192 4.698) 4.917 27.682 ( 1.030 4.610 -4.163) 6.296 27.921 ( -0.188 -3.393 -7.459) 8.197 30.195 ( 1.245 -0.040 0.708) 1.433 30.293 ( 1.349 0.141 -1.373) 1.929 38.847 ( 4.387 0.136 5.343) 6.915 39.748 ( 2.471 -0.945 8.495) 8.897 40.078 ( -4.568 3.996 -7.889) 9.953 41.235 ( -1.995 -1.881 -8.679) 9.101 ======================= Grid point 98 (34/100) ======================= q-point: (-0.56 0.11 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 243 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.573 ( -7.813 3.699 4.008) 9.529 4.096 ( -5.143 3.896 4.618) 7.934 4.236 ( -10.961 6.253 2.850) 12.937 4.417 ( 6.880 7.669 11.872) 15.719 4.701 ( -5.003 1.075 13.079) 14.044 5.012 ( 7.229 -8.312 -9.168) 14.332 5.243 ( -3.753 -4.042 3.122) 6.338 5.479 ( 7.448 5.397 2.249) 9.469 5.997 ( 6.928 -9.327 5.630) 12.911 6.175 ( 0.969 2.516 -1.660) 3.166 6.266 ( -14.092 -5.806 0.244) 15.243 6.734 ( 6.442 0.704 -0.004) 6.480 6.928 ( -0.506 1.591 7.585) 7.767 7.066 ( 12.251 2.995 3.753) 13.159 7.709 ( -10.366 0.983 -10.399) 14.716 7.816 ( -13.942 -1.567 -8.735) 16.527 8.050 ( -4.826 -1.627 -1.914) 5.441 8.210 ( -7.685 -2.239 -5.025) 9.451 8.336 ( -2.686 -6.381 -12.588) 14.366 8.401 ( -2.886 4.546 -9.178) 10.641 8.791 ( -1.176 2.869 -3.055) 4.352 9.026 ( 10.905 -0.577 -3.532) 11.478 9.079 ( -0.703 1.084 -0.422) 1.360 9.238 ( 1.340 6.117 -2.747) 6.838 9.594 ( -11.289 -0.670 6.074) 12.837 9.998 ( -1.096 2.643 -4.562) 5.385 10.044 ( -10.574 4.024 2.660) 11.622 10.265 ( -1.615 5.102 6.104) 8.118 10.432 ( -8.542 -3.753 15.886) 18.423 10.697 ( -0.755 -3.904 2.989) 4.974 10.999 ( 12.050 7.863 4.159) 14.978 11.188 ( -1.548 -4.153 8.421) 9.516 11.304 ( -1.843 2.603 1.017) 3.348 11.649 ( -18.455 -2.767 0.717) 18.675 11.982 ( -5.354 -13.542 -1.712) 14.662 12.177 ( 0.516 2.801 -8.978) 9.419 12.418 ( -12.993 -5.726 -1.764) 14.307 12.498 ( 4.246 -1.924 2.004) 5.074 12.849 ( -8.241 -15.224 -1.240) 17.356 13.054 ( 2.011 4.274 -1.404) 4.928 13.474 ( -7.028 6.073 -3.502) 9.926 13.663 ( 8.245 -1.555 -6.024) 10.329 13.887 ( -1.561 -1.565 -4.691) 5.186 13.999 ( -4.398 -0.766 -9.063) 10.103 14.244 ( 12.859 8.081 -5.869) 16.282 14.355 ( 8.610 10.465 -4.645) 14.326 14.784 ( -5.535 5.687 0.473) 7.950 14.925 ( 1.334 -8.941 4.907) 10.286 15.140 ( -5.333 -4.946 -0.328) 7.281 15.329 ( 0.130 -2.181 0.621) 2.271 15.841 ( 5.570 4.166 6.062) 9.226 15.956 ( -0.714 1.650 -3.873) 4.270 16.174 ( -1.331 0.806 2.893) 3.285 16.446 ( 11.280 -6.443 5.763) 14.212 16.668 ( 17.745 4.885 -4.847) 19.032 16.825 ( 12.400 -0.806 2.002) 12.586 17.053 ( 5.729 5.868 6.483) 10.454 17.146 ( 8.196 2.589 3.201) 9.172 17.996 ( -2.205 1.768 0.844) 2.949 18.118 ( 5.422 -1.430 1.246) 5.744 18.509 ( -0.238 -3.859 6.287) 7.381 18.775 ( -4.020 -5.340 -1.171) 6.786 19.378 ( -0.866 8.568 4.523) 9.727 19.840 ( -1.200 -1.744 2.480) 3.261 20.001 ( -5.349 -1.164 -2.156) 5.883 20.094 ( 0.539 -3.421 -1.778) 3.892 20.180 ( 2.616 1.371 0.560) 3.006 20.399 ( -2.273 -5.317 -0.058) 5.783 21.076 ( 0.190 4.505 2.795) 5.305 21.268 ( 3.659 -0.696 1.381) 3.972 21.595 ( -10.405 -6.094 1.023) 12.102 22.054 ( 9.408 8.295 0.627) 12.558 22.147 ( -2.267 1.736 0.342) 2.876 22.273 ( 0.009 -0.424 -1.201) 1.273 23.142 ( 0.781 -9.455 1.682) 9.635 23.922 ( 9.106 11.279 -7.938) 16.527 25.028 ( 0.599 0.807 0.900) 1.349 25.240 ( 1.772 -2.512 -1.741) 3.533 26.065 ( 0.436 -0.361 0.564) 0.799 26.150 ( -1.138 -0.644 -1.526) 2.010 26.722 ( -2.580 -0.360 4.648) 5.328 26.744 ( -1.921 -0.522 4.967) 5.351 27.646 ( -1.709 3.144 -4.041) 5.398 27.925 ( -2.364 -3.595 -7.442) 8.597 30.196 ( -1.026 0.071 0.871) 1.348 30.286 ( -2.137 -0.318 -1.061) 2.407 38.843 ( -4.805 -0.119 5.199) 7.080 39.755 ( -3.781 -1.253 8.792) 9.652 39.982 ( -3.030 -0.593 -6.769) 7.440 41.284 ( 6.683 0.787 -9.401) 11.561 ======================= Grid point 99 (35/100) ======================= q-point: (-0.44 0.11 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 243 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.264 ( -18.029 12.149 12.367) 25.012 3.523 ( -37.597 14.822 1.901) 40.457 4.060 ( -3.114 5.414 -1.527) 6.430 4.373 ( -8.287 4.214 8.863) 12.844 4.655 ( 4.067 2.605 16.456) 17.150 4.956 ( -7.128 -3.608 -3.536) 8.737 5.385 ( 1.988 -3.229 3.098) 4.897 5.616 ( 4.489 2.833 1.457) 5.505 6.063 ( 2.561 2.553 0.834) 3.711 6.137 ( -6.072 -6.055 -0.404) 8.585 6.311 ( 4.802 -1.194 -0.136) 4.950 6.774 ( -3.512 2.617 2.538) 5.062 6.919 ( -18.046 1.379 -7.373) 19.543 7.189 ( -0.375 -5.859 0.217) 5.875 7.442 ( 8.614 -1.445 2.441) 9.069 7.636 ( -26.510 -0.663 -4.276) 26.861 7.808 ( -5.390 -2.775 3.362) 6.932 7.982 ( -4.857 -0.946 -3.264) 5.927 8.275 ( -7.990 -5.960 -11.849) 15.484 8.415 ( 1.374 2.713 -11.036) 11.447 8.678 ( -8.147 5.668 5.169) 11.190 8.956 ( -7.106 8.756 -2.702) 11.595 9.135 ( -1.449 2.315 4.587) 5.339 9.298 ( 5.540 -1.734 -12.120) 13.439 9.375 ( -6.452 4.513 -0.992) 7.936 9.662 ( -10.202 1.588 -1.218) 10.396 9.910 ( -13.517 -1.583 9.959) 16.864 10.061 ( -4.311 5.444 -0.475) 6.960 10.345 ( -7.130 7.310 3.467) 10.783 10.698 ( -6.056 -2.593 3.887) 7.650 10.797 ( -12.718 -8.163 7.549) 16.893 11.008 ( -10.276 -5.125 2.305) 11.712 11.330 ( -17.040 -0.410 2.302) 17.200 11.576 ( -5.954 -3.110 -0.567) 6.741 11.985 ( -9.119 -8.581 -9.062) 15.457 12.183 ( 3.429 -4.363 -5.709) 7.962 12.418 ( -12.111 -7.925 -0.362) 14.478 12.530 ( 1.532 -8.344 4.653) 9.676 12.658 ( 1.498 -5.248 -8.118) 9.783 13.059 ( 4.706 -0.808 8.406) 9.668 13.330 ( -0.658 2.159 -6.741) 7.109 13.833 ( -2.392 -3.891 -8.778) 9.895 13.951 ( 3.354 -3.396 2.896) 5.583 14.078 ( 12.924 -1.695 5.894) 14.305 14.245 ( -3.230 6.119 -9.420) 11.688 14.477 ( 14.643 10.102 -3.102) 18.058 14.742 ( -0.371 1.714 4.552) 4.878 14.945 ( -4.527 -2.581 -1.912) 5.551 15.052 ( 2.610 -3.018 -0.458) 4.016 15.356 ( -2.362 -2.764 -0.112) 3.637 15.903 ( 9.536 14.414 7.420) 18.808 16.009 ( 8.023 5.357 -1.055) 9.705 16.290 ( 13.066 3.172 -5.327) 14.463 16.726 ( 8.118 -4.890 8.459) 12.703 16.940 ( 13.782 6.851 -1.844) 15.501 17.120 ( 18.139 4.598 3.082) 18.965 17.271 ( 18.288 -1.515 2.020) 18.462 17.428 ( 20.319 4.868 -1.093) 20.923 17.917 ( -3.530 2.121 -0.149) 4.121 18.279 ( 3.211 0.899 9.868) 10.416 18.391 ( -0.072 0.817 -1.654) 1.846 18.891 ( 1.521 -16.248 -1.855) 16.424 19.311 ( -0.845 4.843 2.954) 5.735 19.836 ( -0.882 -1.510 0.105) 1.752 19.923 ( -3.721 -2.884 -2.489) 5.326 20.135 ( 2.269 -2.535 1.206) 3.609 20.250 ( 0.775 -6.604 -2.599) 7.140 20.417 ( 0.352 -3.933 5.648) 6.892 21.021 ( -2.209 3.769 0.400) 4.387 21.308 ( -1.571 -0.854 5.862) 6.129 21.488 ( -3.278 -2.568 1.574) 4.452 21.989 ( -8.998 1.050 -2.031) 9.284 22.149 ( 2.810 6.020 0.242) 6.648 22.348 ( 7.672 0.385 -0.246) 7.686 23.244 ( 3.499 -5.596 1.617) 6.795 23.989 ( 11.440 22.612 -8.385) 26.692 25.025 ( 0.525 2.039 1.320) 2.485 25.372 ( 7.874 -4.572 -3.018) 9.592 26.100 ( 2.557 -0.988 0.575) 2.801 26.130 ( -1.662 -1.574 -0.766) 2.414 26.639 ( -6.405 -1.267 2.775) 7.094 26.691 ( -3.460 -0.379 4.788) 5.919 27.583 ( -3.503 -0.995 -3.192) 4.842 27.877 ( -5.070 -3.157 -7.223) 9.372 30.158 ( -2.556 0.318 1.124) 2.810 30.222 ( -4.440 -0.651 -0.490) 4.515 38.678 ( -11.666 -0.329 4.152) 12.387 39.583 ( -15.468 -4.147 -8.084) 17.939 39.998 ( 1.995 -4.705 10.875) 12.016 41.472 ( 13.954 4.222 -10.401) 17.909 ======================= Grid point 100 (36/100) ======================= q-point: (-0.33 0.11 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 243 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.562 ( -39.488 22.725 7.681) 46.203 2.751 ( -25.431 24.178 20.737) 40.760 4.005 ( -1.095 5.449 -0.175) 5.561 4.176 ( -7.040 -5.273 -0.365) 8.803 4.660 ( -24.701 13.988 19.904) 34.669 4.834 ( -0.539 -0.055 13.996) 14.007 5.134 ( -18.302 6.235 8.603) 21.163 5.526 ( -4.450 -5.816 -7.173) 10.251 5.817 ( -9.467 2.282 -15.030) 17.909 6.137 ( -19.188 0.933 -14.564) 24.108 6.322 ( -5.976 0.795 -0.658) 6.065 6.585 ( 12.930 -1.323 8.575) 15.571 6.743 ( 0.674 -1.036 4.234) 4.411 7.094 ( -12.027 4.924 -3.051) 13.349 7.385 ( -16.314 -7.583 -1.364) 18.042 7.571 ( 4.602 -6.681 -4.275) 9.171 7.851 ( -11.298 -7.062 -3.864) 13.872 7.983 ( 11.050 -3.514 5.728) 12.933 8.209 ( 1.857 -2.646 -5.281) 6.192 8.290 ( -8.432 1.229 -2.443) 8.864 8.534 ( -4.958 3.504 11.852) 13.316 8.716 ( -7.041 9.479 -11.394) 16.409 9.016 ( -7.635 5.148 4.444) 10.225 9.240 ( -5.502 5.649 -4.192) 8.931 9.356 ( -9.435 1.716 -3.421) 10.182 9.519 ( -0.772 -1.765 -7.090) 7.347 9.706 ( 1.323 -5.338 4.803) 7.302 10.018 ( 1.321 2.468 -1.157) 3.029 10.187 ( -5.695 5.121 0.598) 7.683 10.484 ( -13.087 -4.660 1.254) 13.948 10.697 ( -7.764 -6.025 8.502) 12.995 10.903 ( -8.664 -8.437 -0.195) 12.095 11.010 ( -5.024 -0.479 4.893) 7.029 11.487 ( -5.806 1.674 2.322) 6.473 11.896 ( -8.715 -5.092 -10.050) 14.244 11.949 ( -25.077 -5.676 -4.754) 26.147 12.245 ( -3.903 -16.316 2.156) 16.914 12.470 ( -2.514 -8.351 -6.804) 11.061 12.800 ( 3.211 5.970 0.245) 6.783 13.223 ( -1.735 -2.630 -2.751) 4.183 13.508 ( 6.470 -0.636 -3.366) 7.320 13.777 ( -5.311 4.857 1.753) 7.407 14.022 ( 18.850 -8.880 3.505) 21.130 14.172 ( -7.372 -2.025 1.812) 7.857 14.370 ( 8.572 1.062 2.083) 8.886 14.659 ( 4.748 -6.832 -0.371) 8.329 14.713 ( 4.270 4.629 -0.184) 6.301 14.942 ( 5.420 -1.651 -1.838) 5.956 15.211 ( 5.191 3.556 2.775) 6.877 15.393 ( 12.670 2.949 -2.234) 13.199 15.995 ( 6.469 7.587 5.573) 11.422 16.158 ( 15.740 11.057 3.921) 19.631 16.526 ( 11.917 6.332 -3.631) 13.975 16.812 ( 6.438 8.441 3.151) 11.074 17.141 ( 4.996 -0.287 -4.058) 6.443 17.382 ( 11.869 2.595 4.531) 12.967 17.616 ( 5.445 4.863 3.715) 8.191 17.743 ( 16.302 1.513 -3.975) 16.847 17.915 ( 11.662 -0.219 4.037) 12.343 18.217 ( 0.295 3.190 3.597) 4.817 18.611 ( 10.514 -8.800 -0.818) 13.735 18.973 ( -6.223 -17.110 -3.753) 18.589 19.278 ( 1.544 4.998 0.070) 5.231 19.785 ( -3.086 4.111 -6.854) 8.568 19.913 ( -2.197 -7.924 1.151) 8.303 20.200 ( 0.716 -2.757 3.666) 4.643 20.295 ( -1.847 -8.521 -0.265) 8.723 20.447 ( -1.862 -5.761 6.414) 8.821 20.961 ( -2.703 -1.902 0.824) 3.406 21.240 ( -3.902 0.231 6.684) 7.743 21.454 ( -1.815 2.640 6.018) 6.818 21.804 ( -9.412 -1.528 -2.721) 9.916 22.150 ( 1.211 0.616 0.444) 1.429 22.514 ( 9.756 3.752 -2.375) 10.719 23.335 ( 2.821 -0.594 2.012) 3.515 24.077 ( 21.004 35.663 -10.191) 42.625 25.022 ( 0.856 2.512 1.795) 3.204 25.570 ( 8.255 -4.299 -4.829) 10.485 26.103 ( -2.073 -1.660 0.147) 2.660 26.173 ( 3.629 -0.053 -0.296) 3.641 26.508 ( -7.750 -2.350 1.421) 8.222 26.621 ( -4.049 0.256 1.682) 4.392 27.540 ( -3.833 -7.672 -1.444) 8.697 27.792 ( -5.218 -3.182 -4.879) 7.821 30.101 ( -2.838 0.522 1.190) 3.121 30.136 ( -4.224 -0.103 0.403) 4.244 38.426 ( -13.455 -0.259 2.574) 13.702 39.225 ( -26.936 -9.807 -16.481) 33.065 40.104 ( 3.754 -8.388 20.275) 22.260 41.737 ( 17.458 8.715 -12.718) 23.292 ======================= Grid point 101 (37/100) ======================= q-point: (-0.22 0.11 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 243 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.666 ( -30.979 24.533 18.397) 43.589 2.030 ( -26.989 30.215 34.537) 53.237 3.378 ( -52.489 39.266 50.657) 82.843 3.890 ( -4.914 12.702 5.933) 14.855 4.293 ( 7.839 -8.839 -8.541) 14.578 4.945 ( -2.683 -6.677 -3.784) 8.130 5.112 ( 6.706 -9.787 2.243) 12.074 5.511 ( -17.843 -3.125 -9.502) 20.455 5.588 ( 8.596 2.532 -5.705) 10.623 5.784 ( -5.003 1.505 -22.907) 23.495 6.271 ( -13.185 -5.353 -4.911) 15.054 6.618 ( -11.496 1.843 -4.083) 12.338 6.864 ( 6.312 3.723 -2.283) 7.675 6.946 ( 2.109 -3.593 7.590) 8.659 7.227 ( -9.254 -1.189 -2.455) 9.647 7.358 ( -5.218 1.652 3.244) 6.362 7.754 ( -9.929 -4.288 1.464) 10.914 7.991 ( -8.420 2.449 -1.914) 8.976 8.178 ( -3.345 0.704 0.381) 3.440 8.277 ( -7.640 1.595 9.984) 12.673 8.451 ( 1.356 0.060 5.149) 5.325 8.662 ( 7.680 3.827 -7.607) 11.467 8.863 ( -3.312 2.951 1.642) 4.730 9.060 ( -2.044 -0.270 -3.390) 3.967 9.226 ( 2.126 8.898 -2.052) 9.376 9.666 ( 4.015 -3.677 -10.889) 12.174 9.813 ( -0.510 -3.747 -9.089) 9.844 10.016 ( -1.928 -11.349 8.931) 14.569 10.123 ( 9.495 -0.858 3.386) 10.117 10.393 ( 1.280 2.351 2.261) 3.504 10.607 ( -6.238 -7.481 1.083) 9.801 10.811 ( -9.187 -1.560 0.093) 9.319 11.001 ( -0.244 -9.636 9.428) 13.484 11.333 ( -10.181 -0.162 1.054) 10.237 11.500 ( -12.529 0.576 0.074) 12.543 11.904 ( -0.973 -8.622 -12.187) 14.960 12.356 ( 1.809 -12.142 3.262) 12.703 12.516 ( -1.536 -13.084 0.460) 13.182 12.811 ( 2.977 5.690 -0.737) 6.464 13.230 ( 2.249 -1.619 -2.435) 3.689 13.429 ( -4.149 9.546 -5.154) 11.614 13.659 ( -2.158 -0.349 2.969) 3.687 13.912 ( -15.023 0.042 1.922) 15.146 14.336 ( -7.502 6.427 -2.649) 10.228 14.564 ( 14.492 -10.916 4.943) 18.804 14.743 ( 6.521 -1.704 0.983) 6.811 14.886 ( 6.957 0.381 -3.656) 7.869 15.040 ( 2.735 -3.459 8.461) 9.541 15.337 ( 9.781 2.797 4.404) 11.085 15.656 ( 15.099 8.655 -9.380) 19.771 16.069 ( 6.698 2.235 6.730) 9.755 16.443 ( 17.841 8.457 7.133) 20.993 16.718 ( 16.724 3.487 2.048) 17.206 16.883 ( 6.311 6.361 1.407) 9.070 17.165 ( -1.500 -0.071 -6.203) 6.382 17.398 ( -2.341 4.923 -1.271) 5.598 17.619 ( -0.359 4.867 3.212) 5.843 17.963 ( 2.699 4.403 4.395) 6.782 18.144 ( 4.765 -0.506 2.150) 5.252 18.331 ( 14.096 -0.299 -1.794) 14.213 18.741 ( -16.353 -26.058 -2.664) 30.880 18.979 ( 2.490 -7.110 0.703) 7.567 19.320 ( 6.732 3.462 -1.510) 7.719 19.722 ( 1.938 6.152 -6.439) 9.114 19.898 ( -6.346 -8.450 1.148) 10.630 20.160 ( -6.781 -2.543 1.710) 7.441 20.294 ( -2.407 0.507 0.563) 2.524 20.398 ( -9.233 -11.986 9.544) 17.889 20.956 ( -0.131 -5.398 6.003) 8.074 21.200 ( 0.553 1.389 4.341) 4.592 21.404 ( -0.493 -0.291 7.969) 7.990 21.642 ( -9.615 -3.868 0.194) 10.366 22.202 ( 2.510 -3.677 -1.381) 4.661 22.642 ( 6.774 6.809 -4.160) 10.467 23.354 ( 0.750 4.086 2.609) 4.906 24.310 ( 35.037 49.937 -21.638) 64.727 25.019 ( 1.335 3.964 1.620) 4.485 25.736 ( 5.564 -3.677 -5.912) 8.912 26.070 ( -2.200 -0.635 0.387) 2.322 26.203 ( -1.233 1.913 -3.690) 4.335 26.389 ( -7.598 -1.912 -0.228) 7.838 26.501 ( -7.350 0.524 -2.996) 7.955 27.563 ( -1.822 -14.824 3.813) 15.415 27.758 ( -0.555 -4.722 1.282) 4.924 30.045 ( -2.204 0.396 1.029) 2.464 30.078 ( -1.140 1.426 1.173) 2.170 38.198 ( -9.117 -0.044 0.962) 9.168 38.662 ( -38.369 -10.606 -16.880) 43.238 40.267 ( 3.713 -16.042 26.913) 31.551 41.985 ( 15.574 14.722 -18.596) 28.374 ======================= Grid point 102 (38/100) ======================= q-point: (-0.11 0.11 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 135 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.187 ( -0.000 13.247 42.767) 44.772 1.449 ( -0.000 24.911 48.393) 54.428 2.432 ( -0.000 51.991 72.582) 89.282 3.768 ( -0.000 8.448 5.100) 9.868 4.441 ( 0.000 -0.902 -2.396) 2.560 4.902 ( 0.000 -10.908 -12.678) 16.725 5.251 ( -0.000 1.514 -10.564) 10.672 5.459 ( 0.000 -16.304 -9.525) 18.882 5.698 ( -0.000 0.675 -18.923) 18.935 5.924 ( 0.000 -2.050 -3.263) 3.853 5.924 ( 0.000 3.281 -5.787) 6.652 6.399 ( -0.000 4.859 -8.577) 9.858 6.851 ( -0.000 2.266 -11.964) 12.177 6.967 ( 0.000 -5.646 -1.791) 5.923 7.235 ( 0.000 -1.776 10.903) 11.047 7.362 ( -0.000 5.331 7.212) 8.969 7.626 ( -0.000 0.006 2.167) 2.167 7.911 ( -0.000 10.005 3.045) 10.458 7.975 ( 0.000 -0.636 -1.164) 1.326 8.181 ( 0.000 -1.691 14.886) 14.982 8.463 ( -0.000 6.923 6.690) 9.627 8.778 ( -0.000 2.675 -13.624) 13.884 8.795 ( 0.000 -4.616 1.408) 4.826 9.168 ( -0.000 6.205 -1.767) 6.451 9.171 ( 0.000 -0.546 -10.855) 10.868 9.594 ( -0.000 0.086 3.754) 3.755 9.913 ( 0.000 -9.915 -24.160) 26.115 10.213 ( 0.000 -22.438 11.110) 25.037 10.318 ( -0.000 1.473 1.455) 2.071 10.446 ( -0.000 3.540 8.075) 8.817 10.478 ( 0.000 -0.892 -0.478) 1.012 10.722 ( 0.000 -5.448 -2.784) 6.118 11.110 ( 0.000 -11.537 8.201) 14.155 11.142 ( 0.000 -4.189 -7.618) 8.693 11.441 ( -0.000 4.303 15.721) 16.300 11.962 ( 0.000 -8.141 -14.450) 16.585 12.467 ( 0.000 -9.753 2.662) 10.110 12.589 ( 0.000 -16.821 -1.434) 16.882 12.820 ( -0.000 6.595 2.810) 7.169 13.215 ( -0.000 15.000 -10.442) 18.277 13.388 ( 0.000 -5.709 2.793) 6.356 13.681 ( 0.000 -10.340 5.882) 11.896 13.712 ( -0.000 9.890 0.540) 9.905 14.116 ( -0.000 13.027 0.689) 13.045 14.703 ( 0.000 -4.095 -1.440) 4.341 14.926 ( 0.000 -14.203 6.045) 15.436 14.934 ( -0.000 7.152 -3.271) 7.864 15.076 ( 0.000 -1.654 2.790) 3.244 15.424 ( -0.000 2.485 3.806) 4.545 15.756 ( -0.000 9.200 -4.069) 10.060 16.146 ( -0.000 4.524 6.573) 7.979 16.750 ( 0.000 -6.706 -7.856) 10.329 16.797 ( 0.000 -2.218 1.445) 2.647 17.067 ( 0.000 -4.817 -2.384) 5.375 17.294 ( -0.000 10.640 -1.910) 10.810 17.426 ( -0.000 1.495 1.296) 1.979 17.517 ( 0.000 -0.440 1.362) 1.431 17.573 ( -0.000 15.713 0.233) 15.715 18.262 ( 0.000 -0.245 1.821) 1.837 18.514 ( -0.000 1.362 -1.858) 2.304 18.638 ( 0.000 -34.466 18.917) 39.317 19.071 ( 0.000 -4.887 0.239) 4.892 19.450 ( 0.000 -3.988 0.682) 4.046 19.730 ( 0.000 -4.070 2.455) 4.753 19.862 ( -0.000 3.200 -8.434) 9.021 20.006 ( -0.000 3.688 -1.314) 3.915 20.218 ( -0.000 2.364 4.901) 5.442 20.383 ( 0.000 -11.160 10.309) 15.193 21.022 ( 0.000 -9.543 11.591) 15.014 21.208 ( -0.000 0.910 2.282) 2.457 21.498 ( 0.000 -13.321 14.439) 19.645 21.503 ( 0.000 -0.698 -1.948) 2.069 22.272 ( 0.000 -6.462 -3.903) 7.549 22.650 ( -0.000 11.030 -5.127) 12.163 23.321 ( -0.000 5.758 1.709) 6.006 24.406 ( -0.000 70.109 -51.142) 86.780 25.007 ( -0.000 4.171 1.179) 4.334 25.829 ( 0.000 -1.463 -7.790) 7.926 26.043 ( -0.000 0.001 0.073) 0.073 26.060 ( 0.000 -0.019 -0.170) 0.171 26.255 ( -0.000 3.411 2.589) 4.283 26.454 ( 0.000 -2.525 0.801) 2.649 27.654 ( 0.000 -8.626 3.249) 9.218 27.851 ( 0.000 -17.101 7.472) 18.662 30.021 ( -0.000 0.400 1.032) 1.106 30.059 ( -0.000 2.439 0.484) 2.487 38.104 ( -0.000 0.040 0.222) 0.225 38.152 ( -0.000 0.084 -0.454) 0.462 40.480 ( 0.000 -29.089 28.468) 40.702 42.028 ( -0.000 23.665 -25.403) 34.718 ======================= Grid point 105 (39/100) ======================= q-point: ( 0.22 0.22 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 135 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.580 ( 18.516 0.000 3.386) 18.824 3.923 ( 25.045 0.000 -5.727) 25.692 4.158 ( 9.975 0.000 8.917) 13.380 4.309 ( 12.969 0.000 8.028) 15.253 4.653 ( 5.730 0.000 7.424) 9.378 4.850 ( -4.126 -0.000 6.343) 7.567 5.297 ( -1.807 -0.000 7.269) 7.490 5.616 ( -20.567 -0.000 0.911) 20.587 5.838 ( 6.721 0.000 10.700) 12.636 6.198 ( 2.551 0.000 -5.334) 5.913 6.497 ( -19.432 -0.000 -2.506) 19.593 6.757 ( -3.562 -0.000 -13.234) 13.705 6.965 ( -0.602 -0.000 8.369) 8.391 7.048 ( 0.616 0.000 4.318) 4.362 7.868 ( 5.575 0.000 0.501) 5.597 7.897 ( -0.309 -0.000 -7.425) 7.431 8.060 ( -2.154 -0.000 -6.934) 7.261 8.093 ( 13.875 0.000 1.204) 13.927 8.243 ( 4.652 0.000 -3.141) 5.613 8.459 ( 2.507 0.000 -6.815) 7.261 8.722 ( 8.784 0.000 -2.092) 9.030 8.862 ( 4.597 0.000 -0.497) 4.624 9.140 ( 0.005 0.000 -8.605) 8.605 9.224 ( 11.559 0.000 -10.649) 15.716 9.636 ( 13.282 0.000 6.098) 14.615 9.693 ( 2.993 0.000 3.683) 4.745 10.131 ( 16.453 0.000 2.408) 16.629 10.135 ( -3.341 -0.000 10.951) 11.450 10.198 ( 0.460 0.000 3.949) 3.976 10.609 ( 5.355 0.000 3.083) 6.179 11.125 ( 0.759 0.000 0.887) 1.167 11.524 ( 3.545 0.000 1.170) 3.733 11.637 ( 7.064 0.000 -2.284) 7.424 11.752 ( -13.696 -0.000 2.135) 13.862 12.105 ( 4.437 0.000 -4.285) 6.169 12.173 ( -5.795 -0.000 4.450) 7.307 12.429 ( -0.966 -0.000 4.507) 4.609 12.631 ( -39.197 -0.000 2.636) 39.285 12.744 ( 9.325 0.000 -18.801) 20.987 13.019 ( -18.020 -0.000 5.206) 18.757 13.435 ( 15.070 0.000 -5.899) 16.183 13.554 ( -3.086 -0.000 -14.250) 14.580 13.964 ( 8.936 0.000 -9.528) 13.063 14.079 ( -0.194 -0.000 -4.262) 4.266 14.264 ( 9.324 0.000 6.354) 11.284 14.528 ( 5.597 0.000 -1.353) 5.758 14.605 ( -11.337 -0.000 -1.124) 11.393 14.952 ( 1.545 0.000 6.441) 6.624 14.980 ( -2.616 -0.000 3.716) 4.544 15.294 ( 1.279 0.000 -10.857) 10.932 15.820 ( 9.053 0.000 2.993) 9.535 15.834 ( 9.547 0.000 10.232) 13.994 16.315 ( -2.852 -0.000 -4.667) 5.470 16.316 ( -9.535 -0.000 2.749) 9.924 16.604 ( -9.165 -0.000 0.223) 9.168 16.710 ( -11.263 -0.000 1.345) 11.343 17.078 ( -4.874 -0.000 4.507) 6.639 17.224 ( -5.378 -0.000 5.209) 7.487 17.960 ( 5.524 0.000 1.141) 5.640 18.070 ( 0.253 0.000 -1.895) 1.911 18.375 ( -3.047 -0.000 12.707) 13.067 18.925 ( -8.286 -0.000 -1.038) 8.350 19.523 ( 4.699 0.000 2.427) 5.289 19.833 ( -2.055 -0.000 0.766) 2.193 20.046 ( 0.497 0.000 1.653) 1.726 20.089 ( -4.728 -0.000 -3.481) 5.871 20.317 ( -4.964 -0.000 -0.941) 5.053 20.359 ( -8.626 -0.000 -5.332) 10.141 21.138 ( 4.400 0.000 6.683) 8.002 21.151 ( -0.022 -0.000 1.347) 1.347 21.742 ( -11.559 -0.000 -0.236) 11.561 22.022 ( 8.980 0.000 -0.098) 8.981 22.046 ( 9.582 0.000 2.146) 9.819 22.324 ( -2.716 -0.000 -1.492) 3.098 22.988 ( -1.822 -0.000 2.960) 3.476 23.814 ( 12.248 0.000 -7.364) 14.291 25.012 ( 0.585 0.000 1.045) 1.197 25.280 ( -6.537 -0.000 -2.314) 6.935 26.076 ( -1.452 -0.000 0.408) 1.508 26.164 ( -0.567 -0.000 -1.192) 1.320 26.735 ( 1.201 0.000 4.723) 4.873 26.745 ( 1.183 0.000 5.166) 5.300 27.731 ( 1.743 0.000 -4.648) 4.965 27.882 ( -1.480 -0.000 -7.145) 7.297 30.194 ( 1.279 0.000 0.680) 1.448 30.295 ( 1.200 0.000 -1.421) 1.860 38.848 ( 4.310 0.000 5.372) 6.887 39.740 ( 2.141 0.000 8.283) 8.555 40.111 ( -6.242 -0.000 -8.166) 10.278 41.219 ( -0.836 -0.000 -8.369) 8.411 ======================= Grid point 106 (40/100) ======================= q-point: ( 0.33 0.22 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 243 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.623 ( -6.550 2.211 6.130) 9.240 4.118 ( -3.148 -0.022 4.879) 5.806 4.372 ( -6.679 9.122 0.283) 11.310 4.509 ( 13.271 2.369 9.786) 16.658 4.718 ( -0.234 4.499 10.788) 11.691 4.862 ( 6.356 -11.448 1.227) 13.151 5.207 ( -13.454 -0.458 4.340) 14.144 5.500 ( 12.871 -2.924 -1.193) 13.253 5.931 ( 0.604 4.667 2.428) 5.295 6.066 ( -6.163 -10.747 -1.554) 12.486 6.345 ( -0.620 6.239 -0.608) 6.299 6.697 ( 3.309 -3.455 -5.236) 7.093 6.988 ( -2.382 4.483 10.384) 11.559 7.074 ( 9.361 -1.589 8.592) 12.805 7.725 ( -22.792 0.604 -9.064) 24.535 7.839 ( -3.169 3.455 -6.808) 8.267 8.021 ( -2.264 -2.216 -2.526) 4.052 8.176 ( -6.760 -1.225 -12.307) 14.095 8.248 ( -5.123 -4.431 -11.101) 13.004 8.439 ( -1.845 0.982 -11.075) 11.270 8.845 ( 1.245 4.102 -0.738) 4.350 8.945 ( 7.940 -5.702 1.735) 9.928 9.153 ( 2.805 3.150 -17.187) 17.697 9.337 ( 1.199 6.546 -0.978) 6.726 9.570 ( -12.739 -2.695 11.698) 17.504 10.024 ( 2.979 1.708 -3.563) 4.949 10.072 ( -1.018 -0.040 7.066) 7.139 10.279 ( 4.746 -1.540 9.988) 11.165 10.375 ( 2.020 -3.134 7.194) 8.103 10.711 ( -5.285 2.884 9.742) 11.453 11.060 ( -12.302 3.752 6.246) 14.298 11.216 ( 2.611 0.892 3.015) 4.087 11.368 ( -14.081 5.983 0.954) 15.329 11.602 ( -9.373 -4.915 1.870) 10.748 11.859 ( -13.475 0.267 0.632) 13.493 12.168 ( -17.783 -13.620 -5.718) 23.117 12.233 ( 3.808 -1.665 -9.131) 10.032 12.508 ( -13.090 1.222 0.411) 13.153 12.742 ( 10.116 -2.245 6.779) 12.383 13.109 ( 10.970 2.687 -5.342) 12.494 13.481 ( -4.919 -2.614 -8.553) 10.207 13.660 ( -3.388 0.411 -2.280) 4.105 13.886 ( -1.764 1.154 -6.523) 6.855 13.997 ( -4.381 0.104 -12.064) 12.835 14.376 ( 5.249 7.401 3.061) 9.576 14.507 ( 12.525 10.092 -2.213) 16.236 14.691 ( -2.177 -13.853 1.060) 14.063 14.956 ( 1.884 7.584 -0.091) 7.815 15.096 ( -8.762 0.558 -0.074) 8.780 15.229 ( 3.824 -9.420 -3.257) 10.676 15.906 ( 7.649 4.519 2.379) 9.197 15.959 ( 3.471 -1.932 -0.860) 4.065 16.209 ( 1.126 3.330 5.605) 6.616 16.345 ( 5.728 -5.753 6.259) 10.251 16.738 ( 18.970 4.018 -6.300) 20.389 16.794 ( 16.461 -2.742 -0.366) 16.692 17.142 ( 4.045 4.698 6.829) 9.223 17.177 ( 10.127 0.613 5.214) 11.407 18.025 ( 0.619 1.980 -0.948) 2.281 18.099 ( 2.950 -1.186 0.670) 3.249 18.413 ( 4.189 -5.435 9.963) 12.097 18.737 ( -10.663 -0.835 0.047) 10.696 19.528 ( -1.180 8.799 4.091) 9.775 19.804 ( -2.016 -2.990 1.805) 4.033 19.987 ( -5.532 -0.757 -4.557) 7.207 20.029 ( -1.383 -3.467 -2.026) 4.247 20.212 ( -2.813 2.043 -0.351) 3.495 20.328 ( 1.003 -3.374 4.102) 5.405 21.156 ( 2.293 5.464 -0.626) 5.959 21.239 ( 3.287 -3.174 0.607) 4.609 21.525 ( -10.409 -2.863 2.208) 11.019 22.128 ( 0.975 1.213 1.624) 2.250 22.203 ( 7.014 5.003 0.081) 8.615 22.270 ( -0.989 -0.534 -1.700) 2.038 23.008 ( 1.847 -6.169 3.844) 7.499 24.055 ( 13.983 5.191 -9.375) 17.617 25.038 ( 2.160 0.447 0.843) 2.362 25.207 ( -0.908 -1.484 -1.439) 2.258 26.061 ( 0.007 -0.149 0.456) 0.480 26.142 ( -1.723 -0.328 -1.360) 2.219 26.719 ( -2.942 -0.044 4.309) 5.218 26.736 ( -2.045 -0.409 5.648) 6.020 27.711 ( -2.327 4.514 -5.135) 7.222 27.857 ( -2.885 -4.536 -6.603) 8.514 30.197 ( -0.930 0.032 0.934) 1.319 30.282 ( -2.405 -0.143 -0.939) 2.585 38.841 ( -4.948 -0.038 5.152) 7.144 39.736 ( -4.238 -0.855 7.966) 9.064 39.984 ( -5.325 0.373 -5.809) 7.890 41.290 ( 8.079 0.129 -9.392) 12.390 ======================= Grid point 107 (41/100) ======================= q-point: (-0.56 0.22 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 243 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.420 ( -10.070 8.130 12.111) 17.725 3.738 ( -28.946 12.273 3.627) 31.649 4.161 ( -6.010 8.101 0.795) 10.118 4.397 ( -16.851 -1.344 9.148) 19.221 4.710 ( -0.217 3.494 8.716) 9.393 4.889 ( -2.208 -2.583 0.078) 3.399 5.277 ( 4.221 -9.416 5.634) 11.756 5.655 ( 2.493 -0.341 1.227) 2.800 6.019 ( 8.487 -3.001 2.820) 9.433 6.135 ( 1.881 -0.377 -10.676) 10.847 6.317 ( 3.482 4.008 1.125) 5.427 6.823 ( 1.713 3.297 2.061) 4.249 6.950 ( -17.679 2.386 -3.160) 18.117 7.116 ( -7.012 -2.698 3.813) 8.426 7.329 ( 4.194 -11.419 3.782) 12.739 7.704 ( -15.360 7.524 -11.253) 20.473 7.823 ( -15.628 4.375 3.589) 16.621 7.964 ( -7.188 -1.957 -2.954) 8.014 8.164 ( -4.708 -8.210 -16.297) 18.846 8.455 ( 1.688 1.697 -12.418) 12.646 8.760 ( -8.537 5.779 1.797) 10.464 9.005 ( -7.412 -3.473 -1.625) 8.345 9.162 ( 1.393 3.106 -1.387) 3.675 9.284 ( -1.171 1.561 -3.414) 3.933 9.429 ( -3.129 -0.519 0.014) 3.171 9.757 ( -14.999 10.390 0.949) 18.271 9.930 ( -12.979 5.432 9.807) 17.151 10.141 ( -3.239 3.945 1.938) 5.460 10.347 ( -6.122 -6.457 3.786) 9.670 10.580 ( -14.822 -6.591 1.644) 16.305 10.798 ( -8.345 -6.694 7.693) 13.177 10.922 ( -14.753 3.620 5.629) 16.200 11.375 ( -11.273 5.113 -0.022) 12.378 11.516 ( -6.363 -2.614 -1.300) 7.001 11.816 ( -17.805 -15.113 -0.608) 23.362 12.116 ( 13.744 -3.197 -7.015) 15.759 12.215 ( -11.418 -11.868 -5.060) 17.229 12.465 ( 7.675 -2.910 2.686) 8.636 12.696 ( 1.350 5.444 1.141) 5.724 13.139 ( -1.733 10.537 2.576) 10.985 13.348 ( -5.313 0.316 -5.512) 7.663 13.662 ( -0.161 -16.101 -6.480) 17.357 13.952 ( 2.875 2.637 -4.007) 5.592 14.048 ( 10.776 -1.854 7.533) 13.278 14.365 ( -5.091 8.206 -0.991) 9.707 14.554 ( 4.571 -1.386 -1.358) 4.965 14.772 ( -1.438 3.870 -0.111) 4.131 14.924 ( 0.519 -1.187 -9.692) 9.779 15.050 ( 10.222 3.689 1.056) 10.918 15.281 ( -2.722 -6.930 -2.761) 7.941 16.064 ( 4.789 2.837 -1.945) 5.896 16.105 ( 14.525 11.439 8.707) 20.436 16.333 ( 15.902 1.709 -1.662) 16.080 16.609 ( 13.831 -8.149 7.977) 17.926 17.062 ( 13.033 7.572 -2.511) 15.280 17.184 ( 15.184 3.108 2.212) 15.655 17.258 ( 21.313 -0.392 3.395) 21.585 17.500 ( 18.858 4.034 -2.959) 19.511 17.956 ( -4.203 3.600 -1.437) 5.718 18.235 ( 6.465 -4.778 5.522) 9.753 18.441 ( -4.688 3.767 3.023) 6.731 18.649 ( -1.022 -14.320 1.480) 14.432 19.421 ( -1.157 9.022 3.738) 9.834 19.791 ( -1.957 -4.386 2.065) 5.228 19.904 ( -2.986 -0.090 -5.100) 5.911 20.066 ( 0.258 -6.786 0.250) 6.795 20.171 ( -1.947 -2.582 -0.019) 3.234 20.389 ( 2.908 -0.650 5.718) 6.448 21.095 ( -4.666 5.521 -3.922) 8.224 21.289 ( -0.268 -1.468 3.627) 3.922 21.443 ( -0.560 -3.538 2.061) 4.133 22.006 ( -9.751 1.043 -0.946) 9.852 22.231 ( -0.362 4.620 1.529) 4.879 22.363 ( 9.069 1.391 -0.568) 9.192 23.144 ( 6.440 -6.556 4.106) 10.066 24.278 ( 16.922 14.804 -10.403) 24.774 25.069 ( 2.483 3.869 0.578) 4.633 25.290 ( 6.268 -6.130 -2.167) 9.031 26.085 ( 2.135 -0.895 0.548) 2.379 26.106 ( -2.346 -1.393 -0.710) 2.819 26.625 ( -6.713 -0.586 2.729) 7.270 26.683 ( -3.405 -0.601 5.221) 6.262 27.593 ( -6.755 2.056 -4.344) 8.290 27.818 ( -4.683 -4.296 -6.250) 8.913 30.163 ( -2.296 0.272 1.400) 2.703 30.214 ( -4.496 -0.497 -0.133) 4.526 38.674 ( -11.690 -0.191 4.010) 12.360 39.524 ( -18.691 -3.283 -7.630) 20.454 39.957 ( 1.634 -1.229 11.883) 12.057 41.517 ( 15.408 1.921 -10.882) 18.960 ======================= Grid point 108 (42/100) ======================= q-point: (-0.44 0.22 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 243 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.925 ( -32.093 25.173 3.162) 40.910 3.125 ( -14.942 24.819 18.258) 34.243 3.997 ( -8.653 -8.561 -4.437) 12.956 4.140 ( -9.452 1.861 7.656) 12.305 4.695 ( -2.607 -11.509 3.597) 12.337 4.810 ( -7.804 4.135 12.240) 15.094 5.327 ( -20.550 8.412 13.604) 26.041 5.466 ( -6.234 2.580 2.156) 7.083 5.861 ( -10.473 3.109 -18.424) 21.419 6.147 ( -12.934 1.599 -10.198) 16.548 6.401 ( -12.351 8.708 0.441) 15.119 6.544 ( 13.681 -3.225 7.490) 15.927 6.747 ( -0.827 1.434 5.267) 5.521 7.128 ( -17.182 -3.254 -3.284) 17.793 7.221 ( -7.840 -7.498 -6.374) 12.582 7.579 ( 8.503 4.074 -2.523) 9.761 7.728 ( -11.447 -8.475 0.241) 14.244 7.934 ( 7.850 -3.834 2.526) 9.094 8.163 ( 4.808 -2.919 -5.624) 7.954 8.335 ( -13.103 4.270 -5.079) 14.688 8.555 ( -7.511 0.392 5.433) 9.278 8.813 ( -9.093 1.830 -1.468) 9.391 9.136 ( -4.354 10.061 -0.736) 10.988 9.193 ( -7.882 -7.684 -10.851) 15.457 9.433 ( 0.178 0.430 -6.725) 6.742 9.549 ( -3.935 8.473 5.229) 10.706 9.639 ( -5.293 0.136 6.062) 8.049 10.066 ( -2.317 3.055 -1.540) 4.132 10.217 ( -8.074 -2.412 -0.542) 8.445 10.387 ( -10.379 -7.635 -2.149) 13.063 10.663 ( -7.185 -1.843 6.559) 9.902 10.757 ( -7.843 -5.951 4.398) 10.783 11.040 ( -12.918 2.229 5.219) 14.110 11.409 ( -5.209 -7.098 -3.957) 9.653 11.726 ( -14.476 -17.113 0.296) 22.417 11.944 ( -16.700 -1.758 -2.516) 16.980 12.066 ( -7.279 -3.269 9.046) 12.063 12.411 ( 2.768 -0.359 -16.463) 16.698 12.931 ( 3.814 11.216 -1.539) 11.946 13.183 ( -4.573 -1.500 -3.759) 6.107 13.466 ( 19.826 -4.086 -0.103) 20.243 13.753 ( -0.453 -11.199 -0.946) 11.248 13.936 ( -0.246 -2.499 3.366) 4.200 14.157 ( -0.889 1.663 0.416) 1.931 14.389 ( 6.926 1.409 6.585) 9.661 14.578 ( 3.366 -1.975 -0.086) 3.903 14.759 ( 2.731 0.011 0.490) 2.775 14.932 ( 0.692 -0.145 -4.503) 4.558 15.265 ( 9.750 3.827 -1.859) 10.638 15.428 ( 16.957 1.663 -2.338) 17.198 16.083 ( 3.188 4.729 1.078) 5.804 16.342 ( 17.404 12.000 8.918) 22.944 16.607 ( 11.266 4.002 0.601) 11.971 16.872 ( 8.192 0.153 4.623) 9.408 17.181 ( 5.418 6.119 -3.428) 8.863 17.422 ( 12.650 1.646 2.765) 13.052 17.698 ( 4.486 5.721 -1.761) 7.480 17.762 ( 16.205 1.451 -4.522) 16.886 17.910 ( 11.325 -0.831 1.807) 11.499 18.244 ( -3.225 0.453 5.744) 6.602 18.473 ( 1.263 -10.000 -4.026) 10.854 18.753 ( 1.941 -10.368 3.107) 10.997 19.371 ( 1.921 7.167 2.055) 7.699 19.791 ( -2.500 -5.889 1.431) 6.556 19.854 ( -1.290 2.747 -5.219) 6.037 20.125 ( -2.942 -9.096 3.811) 10.292 20.170 ( 1.474 -3.973 1.413) 4.467 20.424 ( -0.277 0.038 3.131) 3.143 20.960 ( -5.099 1.202 -2.696) 5.892 21.260 ( -1.533 2.513 5.706) 6.421 21.460 ( -1.883 -2.329 1.486) 3.343 21.788 ( -11.449 -0.259 -1.539) 11.555 22.185 ( 0.062 4.084 3.316) 5.261 22.536 ( 8.199 -0.893 -2.197) 8.535 23.318 ( 7.670 -1.133 4.783) 9.110 24.518 ( 22.378 22.457 -10.778) 33.485 25.091 ( 4.432 7.160 -0.389) 8.430 25.492 ( 8.456 -6.207 -4.200) 11.300 26.073 ( -2.087 -2.230 0.169) 3.059 26.160 ( 3.958 -1.505 -0.573) 4.273 26.484 ( -7.609 -0.880 1.069) 7.733 26.620 ( -3.633 -0.396 2.642) 4.510 27.433 ( -10.680 -6.114 -2.082) 12.481 27.754 ( -3.643 -2.038 -4.399) 6.064 30.109 ( -2.901 0.596 1.463) 3.303 30.133 ( -3.442 -0.339 1.239) 3.674 38.422 ( -13.322 -0.202 2.432) 13.543 39.092 ( -29.225 -7.416 -11.431) 32.245 40.026 ( 3.277 -2.896 19.141) 19.634 41.832 ( 18.456 4.278 -13.630) 23.339 ======================= Grid point 109 (43/100) ======================= q-point: (-0.33 0.22 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 243 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.126 ( -23.741 35.278 4.573) 42.768 2.520 ( -23.774 35.362 27.204) 50.555 3.813 ( -20.862 11.025 22.036) 32.286 4.048 ( -4.459 -7.004 -2.962) 8.815 4.316 ( -6.481 31.089 10.149) 33.339 4.705 ( -13.609 -23.835 0.717) 27.456 5.013 ( 4.970 -2.160 9.969) 11.346 5.470 ( -9.819 -2.606 -6.943) 12.305 5.661 ( -2.339 6.512 -7.565) 10.253 5.810 ( -5.069 1.728 -21.446) 22.105 6.204 ( -12.679 -3.676 0.872) 13.230 6.629 ( -9.650 -0.070 -0.231) 9.653 6.865 ( 4.956 -4.501 8.197) 10.583 6.932 ( -1.166 0.278 -9.074) 9.153 7.183 ( -0.238 -0.332 1.078) 1.153 7.406 ( -5.834 1.322 3.767) 7.069 7.715 ( -3.763 0.106 -0.943) 3.881 7.998 ( -9.261 -0.062 -5.252) 10.647 8.151 ( 3.557 -2.414 4.413) 6.160 8.313 ( -14.956 1.212 8.958) 17.475 8.441 ( 12.290 -1.587 3.482) 12.872 8.739 ( 4.557 3.019 -9.430) 10.900 8.925 ( -5.328 5.870 -1.450) 8.059 9.071 ( -6.717 1.845 -6.288) 9.384 9.332 ( -2.280 3.419 -4.195) 5.873 9.604 ( 5.450 -5.202 -12.942) 14.976 9.707 ( 3.756 -7.219 7.463) 11.042 9.904 ( -16.400 -0.715 -1.177) 16.458 10.117 ( 6.520 -0.015 5.221) 8.353 10.412 ( 3.591 -6.765 -0.390) 7.669 10.530 ( -6.046 1.353 1.237) 6.318 10.712 ( -4.435 -10.778 -1.647) 11.770 10.886 ( -6.287 -4.408 9.367) 12.112 11.237 ( -20.881 -9.795 -3.384) 23.311 11.519 ( -3.399 -5.304 1.237) 6.420 11.811 ( 0.653 0.188 -0.384) 0.781 12.178 ( 4.408 -11.037 4.018) 12.545 12.407 ( -2.464 -0.869 -3.891) 4.687 12.901 ( 1.274 6.640 -3.239) 7.497 13.179 ( 3.177 -3.977 -5.069) 7.184 13.486 ( -9.668 -3.226 -3.887) 10.908 13.692 ( -1.376 3.572 -0.879) 3.928 13.922 ( -12.650 1.336 -3.728) 13.255 14.308 ( 6.901 -6.920 7.038) 12.044 14.477 ( 4.457 -2.679 -2.779) 5.896 14.749 ( 8.943 3.148 2.765) 9.876 14.898 ( 5.937 -0.603 6.739) 9.002 14.970 ( 8.103 -3.671 9.651) 13.125 15.427 ( 9.912 8.032 -5.192) 13.774 15.696 ( 8.149 -1.802 -5.202) 9.835 16.176 ( 11.810 10.564 0.043) 15.846 16.575 ( 13.306 8.546 7.953) 17.702 16.753 ( 8.174 1.249 4.229) 9.287 16.941 ( 1.905 0.223 3.720) 4.186 17.187 ( 0.601 5.159 -4.585) 6.928 17.498 ( -3.073 6.623 -3.209) 7.975 17.668 ( 5.737 1.428 0.452) 5.929 17.976 ( -5.285 -5.059 -0.792) 7.359 18.149 ( 3.167 1.357 3.723) 5.073 18.291 ( 8.865 -3.935 -1.688) 9.845 18.475 ( -3.788 -8.436 3.574) 9.914 18.904 ( 6.799 -2.724 1.325) 7.444 19.390 ( 5.416 5.465 -0.749) 7.731 19.747 ( -5.623 -3.386 0.407) 6.577 19.836 ( 0.798 0.940 -3.738) 3.936 20.093 ( -3.888 -5.518 4.735) 8.245 20.220 ( -3.219 -4.555 1.230) 5.711 20.374 ( -2.884 1.079 3.467) 4.637 20.906 ( -0.753 -1.945 1.077) 2.348 21.226 ( 0.330 2.122 4.000) 4.541 21.402 ( -3.840 -1.015 3.762) 5.470 21.590 ( -9.582 -2.658 -1.157) 10.011 22.185 ( 1.588 1.460 2.436) 3.254 22.676 ( 4.755 -1.960 -3.899) 6.454 23.428 ( 4.867 5.800 5.720) 9.490 24.797 ( 18.316 15.694 -9.467) 25.911 25.177 ( 16.055 17.890 -10.712) 26.316 25.677 ( 6.471 -4.074 -4.631) 8.939 26.057 ( -1.142 -1.176 0.413) 1.690 26.202 ( -3.219 -2.234 -4.439) 5.921 26.381 ( -2.174 1.313 1.081) 2.760 26.513 ( -8.366 0.892 -4.389) 9.489 27.317 ( -7.780 -15.981 6.213) 18.828 27.727 ( -0.069 -0.786 -1.020) 1.290 30.052 ( -2.041 0.481 1.469) 2.560 30.093 ( -0.777 0.638 2.160) 2.383 38.197 ( -8.972 -0.042 0.911) 9.018 38.529 ( -32.050 -6.908 -8.127) 33.778 40.115 ( 2.441 -5.738 23.735) 24.540 42.131 ( 14.844 5.970 -18.574) 24.515 ======================= Grid point 110 (44/100) ======================= q-point: (-0.22 0.22 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 135 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.595 ( -0.000 37.719 14.681) 40.475 1.918 ( -0.000 36.595 34.365) 50.201 3.244 ( -0.000 51.559 52.488) 73.575 3.933 ( -0.000 12.130 10.095) 15.782 4.377 ( 0.000 -4.827 -13.902) 14.716 4.650 ( 0.000 -22.961 -6.678) 23.913 5.213 ( 0.000 -14.845 -3.921) 15.354 5.283 ( -0.000 2.595 -10.378) 10.697 5.689 ( 0.000 -2.542 -9.285) 9.627 5.826 ( 0.000 -2.569 -9.126) 9.481 6.031 ( -0.000 2.404 2.828) 3.712 6.450 ( -0.000 1.926 -11.439) 11.600 6.855 ( 0.000 -2.930 -1.066) 3.118 6.937 ( -0.000 3.224 -9.844) 10.358 7.227 ( -0.000 0.508 12.797) 12.807 7.428 ( -0.000 3.117 5.014) 5.904 7.610 ( 0.000 -1.741 0.763) 1.901 7.964 ( 0.000 -0.883 -1.572) 1.803 8.050 ( -0.000 8.388 8.421) 11.886 8.147 ( 0.000 -2.582 9.950) 10.279 8.597 ( -0.000 9.773 -6.218) 11.583 8.742 ( 0.000 -1.989 6.489) 6.787 8.842 ( -0.000 6.028 -13.362) 14.659 9.139 ( 0.000 -5.657 -12.584) 13.797 9.242 ( -0.000 2.741 -1.877) 3.322 9.622 ( -0.000 4.283 2.995) 5.227 9.763 ( 0.000 -10.219 -18.973) 21.550 9.883 ( 0.000 -17.765 10.255) 20.513 10.332 ( -0.000 0.570 0.505) 0.761 10.369 ( 0.000 -11.161 8.257) 13.883 10.526 ( -0.000 6.633 5.377) 8.539 10.668 ( 0.000 -6.218 -1.228) 6.338 10.905 ( 0.000 -13.616 4.235) 14.260 11.055 ( 0.000 -7.362 -6.242) 9.651 11.523 ( -0.000 3.119 6.157) 6.902 11.844 ( 0.000 -5.484 -6.094) 8.198 12.350 ( 0.000 -14.818 3.366) 15.196 12.355 ( 0.000 -3.652 0.342) 3.668 12.896 ( -0.000 4.543 -0.781) 4.610 13.312 ( 0.000 -5.073 -2.885) 5.836 13.342 ( 0.000 -1.163 -3.981) 4.147 13.635 ( -0.000 7.298 -2.407) 7.685 13.789 ( 0.000 -0.228 -2.072) 2.084 14.266 ( -0.000 5.537 -6.234) 8.338 14.687 ( -0.000 3.316 2.799) 4.339 14.696 ( 0.000 -13.472 21.364) 25.257 15.036 ( -0.000 6.238 -2.674) 6.787 15.079 ( 0.000 -1.783 3.385) 3.825 15.473 ( -0.000 6.143 -0.618) 6.174 15.800 ( 0.000 -4.216 -1.753) 4.566 16.247 ( -0.000 11.141 1.777) 11.282 16.755 ( 0.000 -3.328 2.280) 4.034 16.771 ( -0.000 7.275 -9.573) 12.023 16.975 ( 0.000 -7.198 -0.142) 7.199 17.440 ( -0.000 6.213 0.845) 6.270 17.447 ( -0.000 0.931 -0.462) 1.040 17.512 ( 0.000 -0.016 1.340) 1.340 17.723 ( -0.000 3.691 0.499) 3.724 18.259 ( 0.000 -0.096 2.277) 2.279 18.306 ( 0.000 -7.449 19.196) 20.591 18.538 ( -0.000 1.768 -1.732) 2.475 18.996 ( 0.000 -3.954 0.139) 3.956 19.465 ( -0.000 3.884 -1.936) 4.340 19.664 ( 0.000 -4.503 2.649) 5.225 19.869 ( 0.000 -1.273 -5.057) 5.215 20.065 ( -0.000 3.928 -2.925) 4.898 20.159 ( 0.000 -6.614 9.252) 11.373 20.344 ( -0.000 1.684 3.435) 3.826 20.931 ( 0.000 -3.980 5.265) 6.600 21.226 ( -0.000 1.496 2.487) 2.902 21.388 ( 0.000 -4.667 7.326) 8.687 21.489 ( 0.000 -1.195 -1.423) 1.858 22.205 ( 0.000 -1.841 0.587) 1.932 22.734 ( -0.000 0.446 -4.975) 4.995 23.418 ( -0.000 8.219 5.483) 9.879 24.900 ( -0.000 5.526 -6.621) 8.624 25.320 ( -0.000 29.794 -39.802) 49.718 25.809 ( 0.000 -0.774 -8.342) 8.378 26.043 ( -0.000 0.002 0.070) 0.070 26.060 ( 0.000 -0.030 -0.167) 0.169 26.318 ( -0.000 4.476 0.579) 4.514 26.413 ( 0.000 -2.089 -0.707) 2.205 27.389 ( 0.000 -20.932 13.317) 24.809 27.744 ( 0.000 -1.759 1.893) 2.585 30.029 ( -0.000 0.599 1.457) 1.575 30.084 ( -0.000 0.979 1.722) 1.981 38.105 ( -0.000 0.061 0.225) 0.233 38.154 ( -0.000 0.128 -0.463) 0.480 40.201 ( 0.000 -10.688 27.463) 29.469 42.247 ( -0.000 8.031 -24.015) 25.322 ======================= Grid point 115 (45/100) ======================= q-point: (-0.67 0.33 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 135 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.484 ( -6.964 -0.000 12.374) 14.199 3.835 ( -22.596 -0.000 4.582) 23.056 4.261 ( -5.043 -0.000 4.217) 6.574 4.353 ( -27.349 -0.000 5.646) 27.926 4.721 ( -5.127 -0.000 -3.638) 6.286 4.910 ( 3.147 0.000 12.342) 12.737 5.170 ( 6.361 0.000 7.281) 9.668 5.642 ( 0.542 0.000 1.488) 1.584 6.004 ( 14.395 0.000 2.774) 14.660 6.116 ( 4.170 0.000 -15.916) 16.453 6.369 ( -0.746 -0.000 1.075) 1.308 6.849 ( 8.201 0.000 -0.025) 8.201 6.975 ( -18.520 -0.000 -1.844) 18.612 7.113 ( -8.357 -0.000 10.700) 13.577 7.207 ( -0.657 -0.000 0.034) 0.657 7.779 ( -10.204 -0.000 -3.259) 10.711 7.893 ( -18.214 -0.000 0.461) 18.220 7.925 ( -13.332 -0.000 -8.316) 15.713 8.081 ( 1.638 0.000 -18.407) 18.480 8.464 ( 1.451 0.000 -12.824) 12.906 8.827 ( -8.014 -0.000 2.435) 8.375 8.940 ( -6.733 -0.000 -0.610) 6.761 9.191 ( -1.162 -0.000 -18.886) 18.922 9.338 ( -6.724 -0.000 18.208) 19.410 9.383 ( 0.389 0.000 -2.423) 2.454 9.850 ( -14.648 -0.000 -2.996) 14.951 10.028 ( -7.651 -0.000 5.881) 9.650 10.158 ( -12.641 -0.000 4.013) 13.262 10.259 ( -2.393 -0.000 11.256) 11.508 10.551 ( -19.669 -0.000 1.274) 19.711 10.670 ( -5.861 -0.000 8.462) 10.294 11.013 ( -14.311 -0.000 -1.373) 14.377 11.402 ( -12.390 -0.000 5.928) 13.735 11.560 ( -0.714 -0.000 -9.394) 9.421 11.624 ( -20.985 -0.000 7.673) 22.343 12.106 ( 29.528 0.000 -7.159) 30.384 12.113 ( -25.247 -0.000 -5.443) 25.827 12.442 ( 9.670 0.000 0.716) 9.697 12.742 ( -0.272 -0.000 6.120) 6.126 13.307 ( 2.707 0.000 -4.258) 5.046 13.325 ( -9.537 -0.000 -6.990) 11.825 13.476 ( -2.947 -0.000 -1.220) 3.190 13.985 ( 1.103 0.000 -6.695) 6.786 14.027 ( 8.902 0.000 9.252) 12.840 14.477 ( -5.678 -0.000 6.441) 8.586 14.478 ( 5.099 0.000 -2.766) 5.801 14.815 ( -10.835 -0.000 -5.111) 11.980 14.909 ( 13.876 0.000 -10.141) 17.187 15.129 ( 11.475 0.000 6.403) 13.141 15.183 ( -4.827 -0.000 -10.565) 11.615 16.082 ( 5.538 0.000 -1.540) 5.748 16.218 ( 17.467 0.000 1.727) 17.552 16.328 ( 11.508 0.000 10.916) 15.862 16.540 ( 17.289 0.000 2.950) 17.539 17.127 ( 17.260 0.000 -2.919) 17.505 17.203 ( 9.111 0.000 3.167) 9.646 17.256 ( 24.208 0.000 3.586) 24.472 17.531 ( 17.383 0.000 -4.940) 18.071 18.003 ( -4.704 -0.000 -3.186) 5.682 18.178 ( 6.072 0.000 5.989) 8.529 18.498 ( 6.569 0.000 9.205) 11.308 18.506 ( -12.112 -0.000 -1.031) 12.156 19.516 ( -2.345 -0.000 3.749) 4.422 19.736 ( -3.268 -0.000 2.028) 3.846 19.906 ( -1.316 -0.000 -4.531) 4.719 20.002 ( -0.821 -0.000 -1.160) 1.421 20.156 ( -1.931 -0.000 0.516) 1.999 20.385 ( 3.506 0.000 5.846) 6.816 21.149 ( -8.737 -0.000 -4.242) 9.712 21.272 ( 4.880 0.000 -2.820) 5.636 21.409 ( -1.285 -0.000 6.824) 6.944 22.014 ( -9.918 -0.000 -0.709) 9.943 22.268 ( 0.154 0.000 1.489) 1.497 22.376 ( 7.055 0.000 -0.390) 7.066 23.088 ( 8.691 0.000 5.393) 10.228 24.393 ( 18.248 0.000 -11.024) 21.320 25.116 ( 5.505 0.000 -0.527) 5.530 25.225 ( 3.746 0.000 -1.148) 3.918 26.078 ( 1.932 0.000 0.517) 2.000 26.095 ( -2.778 -0.000 -0.594) 2.841 26.621 ( -6.793 -0.000 2.779) 7.339 26.678 ( -3.373 -0.000 5.380) 6.350 27.618 ( -9.512 -0.000 -5.397) 10.936 27.777 ( -3.000 -0.000 -5.321) 6.109 30.165 ( -2.146 -0.000 1.534) 2.638 30.210 ( -4.562 -0.000 -0.032) 4.562 38.672 ( -11.700 -0.000 3.956) 12.351 39.498 ( -19.653 -0.000 -7.135) 20.908 39.950 ( 1.432 0.000 11.819) 11.906 41.531 ( 15.855 0.000 -10.996) 19.295 ======================= Grid point 117 (46/100) ======================= q-point: (-0.56 0.33 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 243 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.269 ( -20.483 19.637 2.286) 28.467 3.399 ( -7.717 6.910 10.354) 14.646 3.861 ( -21.533 -5.575 1.664) 22.305 4.133 ( -10.442 -3.596 13.483) 17.429 4.541 ( -12.588 -5.953 -1.432) 13.998 4.864 ( -5.269 2.456 9.940) 11.515 5.306 ( 3.649 -3.235 4.548) 6.668 5.570 ( -12.770 4.170 7.026) 15.160 5.903 ( -15.133 2.098 -18.150) 23.724 6.187 ( -9.518 2.487 -7.074) 12.116 6.460 ( 13.409 -1.074 8.437) 15.878 6.555 ( -6.232 2.963 3.591) 7.779 6.821 ( -11.953 9.722 -0.380) 15.412 6.988 ( -19.557 -11.261 -3.929) 22.907 7.216 ( 3.709 1.690 -5.904) 7.174 7.606 ( -11.505 -3.325 2.706) 12.278 7.655 ( 5.012 1.499 3.691) 6.402 7.875 ( 5.546 -3.117 -0.061) 6.362 8.132 ( 4.242 -1.155 -8.846) 9.878 8.398 ( -9.868 3.231 -9.021) 13.755 8.566 ( -12.644 1.350 3.950) 13.315 8.764 ( -12.190 -6.136 2.442) 13.864 9.102 ( -5.300 -2.078 -4.496) 7.254 9.277 ( -1.145 6.245 -1.044) 6.434 9.389 ( -3.704 -3.345 -8.230) 9.625 9.643 ( -3.420 2.841 3.967) 5.958 9.769 ( -7.812 13.069 2.387) 15.412 10.057 ( -4.246 -7.665 -6.699) 11.030 10.121 ( -11.114 -4.436 1.741) 12.093 10.339 ( -6.971 1.207 2.361) 7.459 10.541 ( -6.379 -8.007 7.614) 12.758 10.811 ( -6.114 5.516 -3.147) 8.815 11.043 ( -17.012 -1.132 6.549) 18.264 11.369 ( -10.730 0.866 3.310) 11.263 11.502 ( -13.817 -10.183 -0.400) 17.169 11.849 ( -0.833 -5.462 0.495) 5.547 12.093 ( -18.850 1.646 12.422) 22.635 12.430 ( 7.834 1.619 -23.610) 24.929 13.111 ( 1.926 11.270 -3.626) 11.994 13.185 ( -8.664 0.600 -5.644) 10.358 13.410 ( 28.288 -2.465 3.105) 28.565 13.552 ( -0.720 -12.202 -1.293) 12.291 13.879 ( -5.447 -3.330 0.161) 6.387 14.205 ( 5.529 2.404 7.866) 9.910 14.420 ( -1.955 2.396 3.425) 4.614 14.579 ( 4.978 0.471 -1.245) 5.153 14.741 ( 4.063 -1.151 5.968) 7.310 14.919 ( -2.524 -1.266 -6.780) 7.344 15.324 ( 14.055 3.333 -8.601) 16.811 15.434 ( 16.655 -0.687 -0.798) 16.688 16.134 ( 4.247 1.860 -1.100) 4.765 16.480 ( 13.472 5.780 11.603) 18.695 16.630 ( 13.067 -0.567 7.366) 15.010 16.864 ( 11.413 -0.263 -1.010) 11.461 17.293 ( 5.653 7.457 0.415) 9.367 17.408 ( 9.976 -3.354 0.369) 10.531 17.760 ( 8.569 2.193 -4.463) 9.907 17.786 ( 10.910 0.951 -5.010) 12.043 17.902 ( 10.444 0.413 -0.969) 10.497 18.229 ( -7.953 -2.286 2.093) 8.535 18.346 ( -1.208 -4.841 2.106) 5.416 18.675 ( 10.668 -1.664 6.259) 12.480 19.479 ( 1.230 6.370 3.299) 7.278 19.697 ( -2.932 -5.767 2.268) 6.856 19.910 ( 0.800 4.507 -3.568) 5.803 19.997 ( -0.826 -7.208 -0.570) 7.278 20.140 ( -0.390 -0.920 2.007) 2.242 20.425 ( 0.100 0.068 2.737) 2.740 20.980 ( -6.685 1.055 -3.355) 7.554 21.312 ( -0.247 4.316 1.165) 4.477 21.397 ( -2.200 -5.164 1.990) 5.956 21.791 ( -12.182 0.251 -1.190) 12.242 22.254 ( 0.347 3.824 4.183) 5.678 22.501 ( 4.992 -2.593 -1.155) 5.743 23.307 ( 12.130 -0.365 6.449) 13.743 24.729 ( 17.313 6.526 -7.366) 19.914 25.227 ( 10.320 10.005 -4.978) 15.211 25.386 ( 9.153 -8.058 -3.621) 12.721 26.045 ( -2.348 -1.198 0.418) 2.669 26.139 ( 3.617 -0.942 -0.630) 3.790 26.478 ( -6.846 -0.081 0.771) 6.889 26.613 ( -3.562 -0.379 3.402) 4.940 27.371 ( -15.403 -2.116 -2.732) 15.786 27.733 ( -1.872 -0.743 -4.176) 4.636 30.118 ( -3.342 0.538 1.445) 3.681 30.127 ( -2.636 -0.458 1.863) 3.260 38.420 ( -13.242 -0.073 2.343) 13.448 39.017 ( -29.527 -2.573 -8.823) 30.924 40.002 ( 3.137 -0.616 17.921) 18.204 41.871 ( 18.523 1.222 -13.804) 23.133 ======================= Grid point 118 (47/100) ======================= q-point: (-0.44 0.33 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 243 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.657 ( -16.346 35.018 -3.736) 38.825 3.055 ( -17.970 35.812 20.999) 45.237 3.652 ( -8.705 -22.750 -2.709) 24.509 3.992 ( -6.414 -9.209 7.072) 13.265 4.344 ( -17.305 -17.848 0.217) 24.861 4.737 ( -2.156 13.383 10.030) 16.863 5.114 ( -5.113 17.859 18.276) 26.059 5.427 ( -2.799 -3.379 -0.940) 4.487 5.768 ( -9.277 7.716 -9.543) 15.384 5.833 ( -7.327 1.674 -18.255) 19.742 6.160 ( -20.687 -2.666 5.267) 21.513 6.606 ( -9.887 -3.538 -1.620) 10.625 6.796 ( 4.587 -3.271 3.631) 6.703 6.890 ( 5.605 -4.355 0.601) 7.124 7.241 ( -0.392 6.185 0.976) 6.274 7.404 ( -2.784 -0.225 5.162) 5.869 7.737 ( 0.691 1.604 -7.102) 7.313 8.017 ( -4.760 2.038 -3.009) 5.989 8.128 ( -0.910 0.830 6.963) 7.071 8.310 ( -11.219 -1.899 3.487) 11.901 8.414 ( 15.003 -1.354 3.273) 15.416 8.634 ( -5.033 -15.808 -2.823) 16.828 9.045 ( -6.992 8.315 -15.322) 18.783 9.105 ( -4.384 2.782 -5.178) 7.332 9.317 ( -5.842 -2.283 -1.953) 6.569 9.590 ( 0.920 2.812 -7.520) 8.081 9.689 ( 4.110 3.534 4.314) 6.928 9.904 ( -10.617 -1.164 -0.521) 10.693 10.154 ( -3.186 4.387 5.377) 7.636 10.207 ( 3.924 -15.685 -3.420) 16.526 10.533 ( -6.690 -6.563 -2.248) 9.638 10.642 ( -2.042 5.393 -0.036) 5.767 10.849 ( -6.288 -2.235 4.290) 7.933 11.106 ( -20.442 -6.222 1.359) 21.411 11.334 ( -3.953 -14.574 8.604) 17.380 11.888 ( 2.561 6.059 4.243) 7.828 12.039 ( 4.810 -7.455 7.402) 11.555 12.468 ( 0.131 7.057 -16.018) 17.504 12.987 ( -4.145 3.039 -6.707) 8.450 13.151 ( 4.079 2.277 -6.246) 7.800 13.417 ( -13.078 -4.462 -0.464) 13.826 13.613 ( -1.676 -12.204 -3.016) 12.682 14.016 ( -8.080 9.657 -6.544) 14.190 14.227 ( 8.417 -4.474 6.386) 11.474 14.423 ( 5.010 -3.844 -2.356) 6.740 14.783 ( 14.121 -0.158 7.996) 16.228 14.900 ( 3.485 3.006 5.227) 6.965 14.950 ( 9.661 -0.633 14.600) 17.518 15.535 ( 10.561 5.986 -11.920) 17.014 15.653 ( 3.222 -3.208 -2.822) 5.351 16.321 ( 17.062 7.732 -4.570) 19.282 16.670 ( 8.666 3.844 12.165) 15.423 16.761 ( 2.435 -0.098 6.762) 7.187 16.923 ( -3.448 -1.036 1.935) 4.088 17.310 ( 4.680 10.282 -1.516) 11.398 17.561 ( -4.021 0.815 -4.490) 6.082 17.660 ( 4.305 -1.532 -1.523) 4.817 17.854 ( -13.751 -8.243 -3.273) 16.363 18.150 ( 4.258 -1.485 1.731) 4.830 18.287 ( 9.619 2.787 3.063) 10.473 18.401 ( 8.621 -3.644 2.971) 9.820 18.904 ( 10.891 2.003 1.406) 11.162 19.475 ( 3.627 5.896 1.807) 7.154 19.684 ( -3.670 -4.530 1.967) 6.152 19.852 ( -3.387 0.031 -3.434) 4.823 20.041 ( 1.388 -0.579 1.651) 2.233 20.165 ( 0.103 -3.620 0.362) 3.639 20.378 ( -4.251 -0.277 2.297) 4.839 20.891 ( -2.152 -0.253 -1.083) 2.423 21.262 ( -0.732 2.653 3.155) 4.187 21.366 ( -4.108 -3.452 -0.861) 5.434 21.568 ( -9.731 -0.527 -0.760) 9.775 22.239 ( 1.402 5.155 4.069) 6.715 22.606 ( 2.387 -6.236 -2.155) 7.016 23.507 ( 8.592 4.199 7.495) 12.150 24.921 ( 6.530 4.502 0.641) 7.958 25.423 ( 18.145 12.310 -12.813) 25.396 25.623 ( 9.862 -2.876 -7.106) 12.491 26.035 ( 0.241 -1.603 0.583) 1.722 26.159 ( -4.694 -2.550 -2.757) 6.012 26.418 ( 1.800 3.079 -2.436) 4.319 26.521 ( -7.072 -0.067 -3.229) 7.774 27.124 ( -11.532 -9.495 5.338) 15.863 27.721 ( 0.325 -0.169 -2.324) 2.353 30.058 ( -1.950 0.307 1.816) 2.682 30.099 ( -0.739 0.178 2.789) 2.890 38.196 ( -8.857 -0.023 0.869) 8.899 38.457 ( -27.330 -2.991 -4.691) 27.890 40.066 ( 2.226 -1.648 20.820) 21.004 42.186 ( 13.650 1.969 -17.618) 22.374 ======================= Grid point 119 (48/100) ======================= q-point: (-0.33 0.33 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 135 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.202 ( -0.000 42.113 -1.362) 42.135 2.491 ( -0.000 39.928 23.543) 46.352 3.687 ( 0.000 -1.648 16.480) 16.562 4.024 ( -0.000 4.795 2.377) 5.352 4.238 ( 0.000 -31.911 0.538) 31.915 4.559 ( -0.000 30.033 7.181) 30.880 5.070 ( 0.000 -1.823 8.234) 8.434 5.323 ( -0.000 2.690 -9.961) 10.318 5.643 ( 0.000 -2.795 -2.801) 3.957 5.827 ( -0.000 1.250 -15.217) 15.268 5.990 ( 0.000 -7.537 10.480) 12.909 6.461 ( 0.000 -0.132 -14.237) 14.238 6.835 ( -0.000 0.376 2.561) 2.589 6.962 ( 0.000 -1.703 -7.093) 7.294 7.245 ( -0.000 1.775 13.436) 13.553 7.449 ( 0.000 -0.075 4.977) 4.978 7.629 ( -0.000 6.813 1.168) 6.913 7.948 ( 0.000 -1.316 -2.391) 2.730 8.114 ( 0.000 -1.701 4.271) 4.597 8.155 ( -0.000 5.494 11.616) 12.850 8.691 ( 0.000 -2.339 -15.390) 15.567 8.737 ( -0.000 1.001 11.459) 11.503 8.867 ( 0.000 -10.916 -18.729) 21.678 9.037 ( -0.000 4.316 -9.318) 10.269 9.248 ( 0.000 -1.154 -1.442) 1.847 9.640 ( 0.000 -4.243 -12.993) 13.669 9.711 ( -0.000 6.749 1.967) 7.030 9.757 ( 0.000 -1.673 4.231) 4.550 10.206 ( 0.000 -9.884 7.847) 12.620 10.341 ( -0.000 0.870 -1.739) 1.944 10.457 ( 0.000 -18.838 -0.279) 18.841 10.624 ( -0.000 6.159 2.201) 6.541 10.794 ( 0.000 -2.186 3.483) 4.112 10.934 ( 0.000 -8.443 -3.994) 9.340 11.422 ( 0.000 -14.754 7.287) 16.455 11.874 ( -0.000 7.147 3.491) 7.954 12.164 ( 0.000 -9.857 8.153) 12.792 12.388 ( -0.000 7.664 -11.531) 13.846 12.954 ( -0.000 2.413 -4.011) 4.681 13.242 ( 0.000 -3.248 -8.331) 8.942 13.264 ( 0.000 -6.066 2.272) 6.478 13.699 ( 0.000 -11.226 -4.063) 11.939 13.811 ( -0.000 13.205 -9.297) 16.149 14.268 ( 0.000 -4.124 -11.746) 12.449 14.569 ( 0.000 -3.863 26.991) 27.266 14.799 ( -0.000 10.106 4.421) 11.031 15.013 ( 0.000 -5.556 12.010) 13.233 15.106 ( -0.000 2.891 -1.711) 3.359 15.593 ( -0.000 7.807 -11.272) 13.712 15.702 ( 0.000 -6.448 3.356) 7.269 16.447 ( -0.000 14.397 -1.724) 14.500 16.707 ( 0.000 -2.749 3.641) 4.562 16.868 ( 0.000 -6.685 1.502) 6.852 16.875 ( -0.000 4.045 -3.355) 5.255 17.450 ( 0.000 -0.300 -0.831) 0.884 17.461 ( -0.000 0.300 4.850) 4.859 17.519 ( -0.000 0.738 0.434) 0.856 17.754 ( -0.000 0.844 -3.453) 3.555 18.259 ( -0.000 0.100 2.736) 2.737 18.288 ( 0.000 -0.078 11.375) 11.375 18.562 ( -0.000 1.330 -1.558) 2.049 18.991 ( -0.000 3.672 0.187) 3.677 19.536 ( -0.000 5.152 -2.487) 5.721 19.605 ( 0.000 -3.264 2.699) 4.236 19.833 ( 0.000 -3.630 -1.941) 4.116 20.097 ( 0.000 -1.411 6.146) 6.306 20.116 ( -0.000 2.768 -4.608) 5.376 20.344 ( 0.000 -2.148 3.820) 4.382 20.887 ( 0.000 -2.149 0.914) 2.335 21.249 ( -0.000 1.483 2.738) 3.114 21.334 ( 0.000 -2.766 0.655) 2.842 21.470 ( 0.000 -1.242 -0.813) 1.484 22.221 ( -0.000 3.696 3.222) 4.904 22.681 ( 0.000 -6.583 -3.423) 7.420 23.546 ( -0.000 8.034 7.489) 10.983 24.950 ( -0.000 3.073 2.248) 3.808 25.583 ( -0.000 7.072 -19.411) 20.659 25.815 ( -0.000 0.892 -16.280) 16.305 26.043 ( -0.000 0.002 0.067) 0.067 26.059 ( 0.000 -0.027 -0.162) 0.165 26.363 ( -0.000 1.680 -1.900) 2.536 26.432 ( -0.000 4.920 -5.683) 7.516 27.117 ( 0.000 -15.369 11.770) 19.358 27.732 ( 0.000 -0.267 -0.766) 0.811 30.037 ( -0.000 0.506 1.913) 1.979 30.092 ( -0.000 0.211 2.759) 2.767 38.106 ( -0.000 0.053 0.229) 0.235 38.155 ( -0.000 0.113 -0.473) 0.486 40.107 ( 0.000 -3.325 22.915) 23.155 42.316 ( -0.000 2.376 -20.635) 20.772 ======================= Grid point 126 (49/100) ======================= q-point: (-0.56 0.44 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 135 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.053 ( -10.868 -0.000 -12.403) 16.491 3.283 ( -5.640 -0.000 6.438) 8.559 3.619 ( -3.912 -0.000 11.615) 12.256 3.646 ( -31.331 -0.000 12.845) 33.861 4.255 ( -11.967 -0.000 -1.797) 12.101 4.802 ( 0.198 0.000 6.799) 6.802 5.343 ( -4.314 -0.000 20.525) 20.973 5.350 ( 1.076 0.000 -1.444) 1.801 5.826 ( 0.220 0.000 -18.862) 18.863 5.877 ( -15.294 -0.000 -8.537) 17.515 6.127 ( -34.364 -0.000 7.790) 35.236 6.561 ( -5.804 -0.000 -4.921) 7.609 6.778 ( 5.904 0.000 5.772) 8.257 6.852 ( 5.204 0.000 4.805) 7.083 7.298 ( -8.533 -0.000 2.507) 8.894 7.408 ( 6.943 0.000 3.867) 7.947 7.751 ( 3.470 0.000 -10.752) 11.298 8.026 ( 7.943 0.000 8.808) 11.861 8.208 ( -10.390 -0.000 -3.781) 11.057 8.232 ( -10.023 -0.000 -2.974) 10.455 8.420 ( 13.954 0.000 3.546) 14.398 8.457 ( -13.128 -0.000 4.713) 13.948 9.103 ( 4.363 0.000 -10.906) 11.746 9.148 ( -15.486 -0.000 -13.658) 20.648 9.295 ( -2.752 -0.000 -3.311) 4.305 9.625 ( -0.669 -0.000 0.491) 0.830 9.741 ( -1.592 -0.000 -0.923) 1.840 9.891 ( -8.381 -0.000 2.450) 8.731 10.038 ( 5.585 0.000 -6.779) 8.783 10.221 ( -5.951 -0.000 3.747) 7.032 10.465 ( -2.708 -0.000 1.031) 2.898 10.720 ( -3.357 -0.000 -6.921) 7.692 10.803 ( -8.170 -0.000 3.611) 8.932 11.075 ( -19.521 -0.000 4.412) 20.014 11.198 ( -3.839 -0.000 13.736) 14.262 11.956 ( -0.055 -0.000 4.746) 4.747 11.959 ( 8.301 0.000 8.518) 11.894 12.538 ( 2.917 0.000 -20.126) 20.336 12.993 ( -7.765 -0.000 -10.171) 12.797 13.211 ( 2.944 0.000 -4.531) 5.403 13.386 ( -13.049 -0.000 -1.348) 13.118 13.472 ( -1.749 -0.000 -1.138) 2.087 14.144 ( -9.566 -0.000 -5.207) 10.892 14.149 ( 8.600 0.000 0.108) 8.601 14.390 ( 8.863 0.000 1.272) 8.954 14.777 ( 12.872 0.000 10.726) 16.755 14.939 ( 2.805 0.000 1.759) 3.311 14.939 ( 13.261 0.000 18.348) 22.638 15.597 ( 10.725 0.000 -17.885) 20.854 15.611 ( 1.601 0.000 1.376) 2.111 16.382 ( 19.432 0.000 -6.382) 20.453 16.696 ( 7.886 0.000 14.235) 16.273 16.757 ( -1.206 -0.000 7.983) 8.073 16.918 ( -5.215 -0.000 1.570) 5.446 17.433 ( 5.281 0.000 1.388) 5.460 17.520 ( 3.377 0.000 -6.121) 6.991 17.658 ( -6.546 -0.000 -3.549) 7.446 17.783 ( -11.276 -0.000 -3.111) 11.697 18.134 ( 5.583 0.000 0.985) 5.669 18.327 ( -1.422 -0.000 8.808) 8.922 18.359 ( 20.742 0.000 -1.766) 20.817 18.926 ( 13.134 0.000 0.940) 13.167 19.541 ( 1.895 0.000 3.417) 3.908 19.629 ( -1.037 -0.000 3.138) 3.305 19.846 ( -6.841 -0.000 -3.294) 7.593 20.055 ( 6.344 0.000 -2.500) 6.819 20.124 ( -0.513 -0.000 2.266) 2.323 20.375 ( -5.298 -0.000 1.529) 5.514 20.891 ( -2.929 -0.000 -1.491) 3.286 21.297 ( -2.996 -0.000 4.649) 5.530 21.322 ( -1.733 -0.000 -4.293) 4.630 21.565 ( -10.051 -0.000 -0.761) 10.079 22.293 ( 1.556 0.000 3.966) 4.261 22.543 ( 1.305 0.000 -0.865) 1.566 23.540 ( 9.891 0.000 8.109) 12.790 24.955 ( 5.153 0.000 2.106) 5.567 25.514 ( 9.219 0.000 -2.304) 9.503 25.601 ( 16.886 0.000 -16.706) 23.754 26.021 ( 0.895 0.000 0.772) 1.182 26.140 ( -4.859 -0.000 -2.236) 5.349 26.449 ( 4.811 0.000 -5.421) 7.248 26.515 ( -7.193 -0.000 -1.090) 7.275 27.051 ( -13.414 -0.000 4.617) 14.187 27.720 ( 0.476 0.000 -2.785) 2.826 30.061 ( -1.920 -0.000 1.946) 2.734 30.100 ( -0.745 -0.000 2.986) 3.077 38.196 ( -8.815 -0.000 0.853) 8.856 38.436 ( -25.749 -0.000 -3.851) 26.036 40.055 ( 2.181 0.000 19.885) 20.005 42.199 ( 13.223 0.000 -17.262) 21.745 ======================= Grid point 128 (50/100) ======================= q-point: (-0.44 0.44 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 135 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.795 ( -0.000 35.910 -11.256) 37.633 3.067 ( -0.000 35.441 15.859) 38.828 3.386 ( 0.000 -28.311 0.490) 28.315 3.740 ( 0.000 -32.872 6.887) 33.585 4.118 ( -0.000 4.011 -0.983) 4.130 4.815 ( -0.000 2.753 9.519) 9.909 5.311 ( -0.000 27.293 26.384) 37.961 5.354 ( -0.000 1.232 -9.683) 9.761 5.614 ( 0.000 -0.972 -1.757) 2.008 5.812 ( 0.000 -15.599 9.416) 18.221 5.843 ( -0.000 0.658 -15.467) 15.481 6.456 ( 0.000 -0.311 -16.012) 16.015 6.854 ( -0.000 1.935 4.148) 4.577 6.901 ( 0.000 -4.647 0.870) 4.727 7.270 ( -0.000 1.168 13.701) 13.750 7.439 ( 0.000 -0.772 5.383) 5.439 7.842 ( -0.000 20.657 -1.329) 20.700 7.930 ( 0.000 -0.792 -2.752) 2.864 8.099 ( 0.000 -0.435 0.634) 0.769 8.182 ( 0.000 -5.944 12.037) 13.424 8.389 ( 0.000 -21.419 -6.034) 22.253 8.756 ( -0.000 0.996 14.455) 14.490 8.836 ( -0.000 1.668 -31.440) 31.484 9.162 ( -0.000 6.736 -14.228) 15.742 9.228 ( 0.000 -0.994 -1.723) 1.989 9.619 ( -0.000 0.769 -5.811) 5.862 9.745 ( 0.000 -2.145 1.949) 2.898 9.790 ( -0.000 3.105 1.965) 3.675 10.119 ( 0.000 -0.162 0.265) 0.310 10.221 ( 0.000 -11.466 1.273) 11.536 10.357 ( -0.000 0.857 -5.164) 5.234 10.700 ( -0.000 3.856 1.182) 4.033 10.797 ( -0.000 1.574 5.999) 6.202 10.823 ( 0.000 -5.589 -2.398) 6.082 11.213 ( 0.000 -9.937 14.458) 17.544 11.956 ( -0.000 2.882 2.622) 3.896 12.065 ( 0.000 -3.437 11.438) 11.943 12.534 ( -0.000 8.803 -16.243) 18.475 12.932 ( 0.000 -4.161 -11.650) 12.371 13.198 ( 0.000 -2.377 3.205) 3.991 13.264 ( -0.000 5.839 -8.024) 9.923 13.507 ( 0.000 -11.972 -2.791) 12.293 13.987 ( -0.000 9.457 -8.572) 12.764 14.179 ( 0.000 -6.613 -14.913) 16.314 14.552 ( -0.000 0.317 28.482) 28.484 14.932 ( -0.000 6.139 1.973) 6.448 14.948 ( 0.000 -2.624 15.391) 15.613 15.120 ( 0.000 -0.568 -0.023) 0.568 15.609 ( 0.000 -2.444 9.291) 9.607 15.700 ( -0.000 2.944 -20.204) 20.418 16.643 ( -0.000 10.689 -7.124) 12.845 16.680 ( 0.000 -0.906 5.084) 5.164 16.793 ( 0.000 -2.926 1.998) 3.543 16.854 ( 0.000 -5.462 9.039) 10.561 17.445 ( 0.000 -0.260 -0.678) 0.726 17.523 ( -0.000 6.612 0.561) 6.636 17.528 ( -0.000 0.370 -0.353) 0.511 17.722 ( 0.000 -4.555 -4.201) 6.196 18.261 ( -0.000 0.075 3.011) 3.012 18.270 ( 0.000 -1.351 9.571) 9.666 18.575 ( -0.000 0.480 -1.436) 1.514 19.064 ( -0.000 3.947 -1.372) 4.179 19.571 ( 0.000 -1.183 2.685) 2.935 19.607 ( -0.000 3.882 1.799) 4.279 19.769 ( 0.000 -4.078 -2.002) 4.543 20.110 ( -0.000 2.045 2.943) 3.584 20.144 ( -0.000 0.990 -5.674) 5.759 20.295 ( 0.000 -3.257 4.400) 5.475 20.866 ( 0.000 -0.702 -0.561) 0.899 21.266 ( -0.000 0.659 2.920) 2.993 21.307 ( 0.000 -0.905 -3.556) 3.670 21.456 ( 0.000 -0.569 -0.414) 0.704 22.293 ( -0.000 4.440 3.401) 5.593 22.577 ( 0.000 -5.659 -1.246) 5.794 23.632 ( -0.000 3.078 8.524) 9.063 24.992 ( -0.000 1.921 3.978) 4.417 25.623 ( -0.000 0.538 -4.411) 4.444 25.811 ( 0.000 -0.900 -18.608) 18.630 26.043 ( -0.000 0.001 0.065) 0.065 26.059 ( 0.000 -0.011 -0.160) 0.160 26.386 ( -0.000 1.031 -3.718) 3.858 26.512 ( -0.000 4.216 -10.899) 11.686 26.945 ( 0.000 -6.899 10.011) 12.158 27.731 ( 0.000 -0.008 -2.011) 2.011 30.043 ( -0.000 0.197 2.196) 2.205 30.093 ( -0.000 0.011 3.193) 3.193 38.106 ( -0.000 0.021 0.232) 0.233 38.157 ( -0.000 0.045 -0.479) 0.481 40.080 ( 0.000 -0.722 20.765) 20.778 42.335 ( -0.000 0.496 -19.148) 19.154 ======================= Grid point 170 (51/100) ======================= q-point: ( 0.00 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.282 ( 0.000 0.000 49.406) 49.406 2.457 ( 0.000 0.000 54.110) 54.110 3.517 ( 0.000 0.000 25.932) 25.932 3.988 ( 0.000 0.000 43.226) 43.226 4.467 ( 0.000 0.000 -33.629) 33.629 4.502 ( 0.000 0.000 0.529) 0.529 5.027 ( 0.000 0.000 -7.225) 7.225 5.160 ( 0.000 0.000 -21.662) 21.662 5.219 ( 0.000 0.000 -18.181) 18.181 5.782 ( 0.000 0.000 10.824) 10.824 6.058 ( 0.000 0.000 2.326) 2.326 6.207 ( 0.000 0.000 -5.081) 5.081 6.535 ( 0.000 0.000 -13.708) 13.708 6.977 ( 0.000 0.000 -12.435) 12.435 7.434 ( 0.000 0.000 8.637) 8.637 7.519 ( 0.000 0.000 -22.952) 22.952 7.587 ( 0.000 0.000 9.307) 9.307 7.663 ( 0.000 0.000 -2.319) 2.319 7.977 ( 0.000 0.000 3.364) 3.364 8.389 ( 0.000 0.000 -2.395) 2.395 8.572 ( 0.000 0.000 2.331) 2.331 8.650 ( 0.000 0.000 10.322) 10.322 8.867 ( 0.000 0.000 5.605) 5.605 9.067 ( 0.000 0.000 -3.007) 3.007 9.079 ( 0.000 0.000 -2.003) 2.003 9.339 ( 0.000 0.000 -28.888) 28.888 9.793 ( 0.000 0.000 14.099) 14.099 10.192 ( 0.000 0.000 -7.754) 7.754 10.322 ( 0.000 0.000 -2.376) 2.376 10.501 ( 0.000 0.000 -11.680) 11.680 10.624 ( 0.000 0.000 8.864) 8.864 10.902 ( 0.000 0.000 17.987) 17.987 10.957 ( 0.000 0.000 -10.417) 10.417 11.302 ( 0.000 0.000 3.498) 3.498 11.737 ( 0.000 0.000 7.719) 7.719 11.850 ( 0.000 0.000 -3.810) 3.810 12.678 ( 0.000 0.000 -2.937) 2.937 12.785 ( 0.000 0.000 11.880) 11.880 12.792 ( 0.000 0.000 6.695) 6.695 12.838 ( 0.000 0.000 -9.183) 9.183 13.401 ( 0.000 0.000 -7.806) 7.806 13.610 ( 0.000 0.000 -3.834) 3.834 13.950 ( 0.000 0.000 5.052) 5.052 14.014 ( 0.000 0.000 1.962) 1.962 14.708 ( 0.000 0.000 -1.759) 1.759 14.764 ( 0.000 0.000 -4.265) 4.265 14.907 ( 0.000 0.000 -4.440) 4.440 15.009 ( 0.000 0.000 -4.831) 4.831 15.626 ( 0.000 0.000 10.945) 10.945 15.779 ( 0.000 0.000 4.322) 4.322 16.264 ( 0.000 0.000 8.079) 8.079 16.682 ( 0.000 0.000 -10.745) 10.745 16.853 ( 0.000 0.000 2.390) 2.390 17.010 ( 0.000 0.000 -4.609) 4.609 17.246 ( 0.000 0.000 3.070) 3.070 17.368 ( 0.000 0.000 -1.839) 1.839 17.477 ( 0.000 0.000 3.069) 3.069 17.543 ( 0.000 0.000 0.435) 0.435 18.312 ( 0.000 0.000 2.674) 2.674 18.447 ( 0.000 0.000 -3.084) 3.084 19.000 ( 0.000 0.000 3.400) 3.400 19.142 ( 0.000 0.000 1.716) 1.716 19.466 ( 0.000 0.000 -4.760) 4.760 19.604 ( 0.000 0.000 -6.954) 6.954 19.830 ( 0.000 0.000 3.367) 3.367 19.950 ( 0.000 0.000 -1.672) 1.672 20.316 ( 0.000 0.000 6.530) 6.530 20.577 ( 0.000 0.000 -2.068) 2.068 21.267 ( 0.000 0.000 3.748) 3.748 21.444 ( 0.000 0.000 -3.706) 3.706 21.451 ( 0.000 0.000 16.854) 16.854 21.909 ( 0.000 0.000 2.732) 2.732 22.222 ( 0.000 0.000 -11.451) 11.451 22.227 ( 0.000 0.000 -5.739) 5.739 23.286 ( 0.000 0.000 6.275) 6.275 23.535 ( 0.000 0.000 -4.286) 4.286 25.107 ( 0.000 0.000 7.978) 7.978 25.604 ( 0.000 0.000 -12.601) 12.601 26.045 ( 0.000 0.000 0.167) 0.167 26.055 ( 0.000 0.000 -0.264) 0.264 26.326 ( 0.000 0.000 4.859) 4.859 26.475 ( 0.000 0.000 -1.129) 1.129 27.749 ( 0.000 0.000 3.604) 3.604 27.961 ( 0.000 0.000 -4.994) 4.994 30.040 ( 0.000 0.000 1.036) 1.036 30.051 ( 0.000 0.000 0.722) 0.722 38.111 ( 0.000 0.000 0.463) 0.463 38.138 ( 0.000 0.000 -0.693) 0.693 41.047 ( 0.000 0.000 9.039) 9.039 41.498 ( 0.000 0.000 -9.922) 9.922 ======================= Grid point 171 (52/100) ======================= q-point: ( 0.11 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 244 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.350 ( 12.338 9.899 43.150) 45.958 2.619 ( 12.269 -16.563 46.727) 51.072 3.747 ( 9.756 -1.667 -6.155) 11.656 4.215 ( -8.268 0.782 -16.233) 18.234 4.378 ( 39.422 -8.864 61.145) 73.289 4.864 ( 16.900 -0.371 -3.936) 17.356 4.977 ( -3.162 0.064 -11.540) 11.966 5.190 ( 5.929 0.845 -13.908) 15.143 5.213 ( 1.285 -2.566 -19.526) 19.736 5.747 ( 4.142 -0.074 10.102) 10.919 6.192 ( 8.713 0.325 -4.769) 9.938 6.452 ( 11.626 -1.249 -1.492) 11.787 6.736 ( 20.325 -0.134 -6.874) 21.457 7.113 ( 11.884 -0.643 -9.750) 15.385 7.331 ( -8.570 4.024 8.477) 12.708 7.406 ( -1.622 -3.236 2.107) 4.188 7.746 ( 14.904 -0.094 -14.222) 20.601 7.777 ( 9.011 0.234 -5.733) 10.683 8.087 ( 2.938 3.934 -3.745) 6.175 8.230 ( -11.163 -0.471 -5.003) 12.242 8.535 ( -4.550 2.368 -0.031) 5.130 8.662 ( 2.306 -4.032 7.009) 8.408 8.921 ( 3.846 -0.426 5.735) 6.918 9.084 ( -0.077 -2.614 -2.624) 3.705 9.175 ( 10.456 1.000 3.538) 11.084 9.327 ( -0.923 1.151 -16.713) 16.778 9.782 ( -2.171 -0.920 6.695) 7.098 10.128 ( -8.059 0.030 1.577) 8.212 10.151 ( -9.558 -2.740 0.408) 9.951 10.418 ( -2.160 2.301 -13.088) 13.463 10.773 ( 13.637 0.173 2.767) 13.916 10.891 ( 5.922 6.534 13.269) 15.932 11.213 ( 7.560 3.465 -4.550) 9.479 11.265 ( 3.343 -1.523 -0.808) 3.761 11.659 ( -1.948 3.644 8.761) 9.686 11.865 ( 3.780 6.170 -2.320) 7.599 12.586 ( -5.187 8.783 5.913) 11.790 12.659 ( -3.560 5.281 -1.417) 6.525 12.805 ( -1.049 -3.171 3.950) 5.173 12.996 ( 4.477 -10.609 -3.716) 12.100 13.341 ( 0.513 8.721 -8.202) 11.983 13.570 ( -2.134 -7.327 -6.873) 10.270 14.096 ( 14.203 8.552 5.567) 17.489 14.208 ( 12.160 -5.848 1.513) 13.578 14.644 ( -10.036 -0.204 -0.936) 10.082 14.741 ( 0.423 -0.202 -3.708) 3.738 14.855 ( -6.894 3.782 -0.477) 7.878 14.994 ( -5.759 -13.523 -5.251) 15.608 15.492 ( -7.641 8.927 8.435) 14.464 15.608 ( -14.648 1.450 4.298) 15.334 16.230 ( -3.752 -1.100 7.917) 8.830 16.471 ( -23.738 -0.706 0.007) 23.749 16.657 ( -21.597 -2.003 -1.029) 21.714 16.739 ( -16.472 -7.358 -3.117) 18.308 17.105 ( -0.540 -0.851 0.880) 1.338 17.264 ( 7.196 -2.931 -5.690) 9.630 17.739 ( 13.140 -0.337 9.891) 16.450 17.999 ( 6.845 0.319 0.480) 6.869 18.207 ( -5.908 0.059 2.990) 6.621 18.288 ( -13.120 -1.910 -1.305) 13.323 18.975 ( 1.570 10.490 -2.032) 10.799 19.062 ( -6.711 4.451 0.177) 8.055 19.298 ( -7.691 3.446 -1.109) 8.501 19.421 ( -6.592 -10.317 -6.566) 13.892 20.053 ( 8.823 5.871 1.658) 10.727 20.123 ( 10.119 -2.773 -1.098) 10.549 20.321 ( 0.196 -0.360 4.438) 4.457 20.624 ( 5.047 6.408 -5.513) 9.845 21.261 ( 1.932 2.660 4.904) 5.905 21.374 ( -0.240 3.927 7.921) 8.844 21.512 ( 3.555 4.333 3.978) 6.873 21.842 ( -2.185 7.255 5.993) 9.661 22.139 ( -2.349 1.873 -6.875) 7.503 22.331 ( -2.341 -16.049 -7.921) 18.050 23.293 ( -2.895 -9.512 4.429) 10.885 23.504 ( -6.772 -11.614 -3.671) 13.937 25.102 ( -0.625 -0.340 7.322) 7.357 25.562 ( -4.043 0.296 -11.611) 12.299 26.087 ( 3.443 0.174 0.625) 3.504 26.133 ( 4.345 -0.241 -1.645) 4.652 26.407 ( 8.584 -0.247 2.647) 8.987 26.507 ( 3.992 0.938 -0.403) 4.120 27.703 ( -3.431 2.209 2.113) 4.595 27.849 ( -7.018 4.818 -3.375) 9.157 30.060 ( 2.006 -0.466 0.908) 2.251 30.071 ( 1.500 -1.272 0.640) 2.068 38.233 ( 11.782 0.073 2.284) 12.001 38.440 ( 26.358 1.047 -9.331) 27.981 40.905 ( -9.860 7.168 13.012) 17.829 41.458 ( -7.103 -6.234 -12.033) 15.301 ======================= Grid point 172 (53/100) ======================= q-point: ( 0.22 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 244 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.728 ( 29.797 -0.249 25.694) 39.346 3.062 ( 16.983 -18.346 33.327) 41.661 3.852 ( 6.237 6.514 -12.661) 15.544 4.204 ( 3.441 -10.060 -3.159) 11.091 4.841 ( -2.385 1.582 -7.293) 7.834 4.966 ( -3.894 -6.339 -4.757) 8.830 5.250 ( 10.980 -7.290 14.851) 19.856 5.409 ( 18.179 -3.015 -5.724) 19.295 5.636 ( 47.940 0.895 17.420) 51.015 6.025 ( 21.477 4.197 5.894) 22.663 6.287 ( 1.364 0.223 -4.868) 5.060 6.601 ( 7.770 -1.806 0.008) 7.977 6.921 ( -10.107 -0.917 12.329) 15.969 7.169 ( 1.617 0.000 6.710) 6.902 7.401 ( 16.499 0.597 -1.232) 16.556 7.627 ( 10.545 11.758 -12.679) 20.254 7.860 ( 3.920 7.346 -4.352) 9.395 7.959 ( -0.204 0.759 -16.369) 16.388 8.041 ( 3.178 -0.951 -5.764) 6.651 8.134 ( 4.015 -3.004 -12.238) 13.225 8.420 ( -3.372 6.833 5.254) 9.256 8.719 ( -2.137 -5.699 0.585) 6.115 9.013 ( 4.175 -3.778 3.467) 6.612 9.147 ( 3.261 -1.813 -8.207) 9.016 9.273 ( 3.643 -1.797 3.954) 5.669 9.492 ( 15.962 0.276 0.650) 15.977 9.716 ( -3.289 -3.558 1.932) 5.217 9.983 ( -1.453 -8.324 5.147) 9.894 10.151 ( 3.799 0.943 -1.349) 4.140 10.507 ( 11.026 -2.381 -15.571) 19.228 10.856 ( 1.316 10.065 13.610) 16.978 11.087 ( -0.939 5.821 4.364) 7.335 11.173 ( 15.299 2.848 1.136) 15.603 11.440 ( 7.747 -5.270 1.951) 9.570 11.804 ( 13.391 8.078 -3.557) 16.038 11.946 ( 14.044 2.330 -1.370) 14.302 12.437 ( -8.788 7.325 -1.762) 11.576 12.475 ( -1.854 10.870 -4.650) 11.967 12.850 ( 2.871 -2.779 5.688) 6.951 13.134 ( 1.817 -10.278 -1.093) 10.494 13.360 ( 5.668 7.080 -8.947) 12.740 13.656 ( 3.905 -5.543 -10.185) 12.236 14.211 ( -4.368 5.117 6.889) 9.629 14.315 ( -15.591 3.357 6.600) 17.260 14.419 ( -0.757 0.991 2.416) 2.719 14.597 ( -15.893 -2.335 -2.418) 16.245 14.775 ( 8.308 8.393 -2.318) 12.034 14.907 ( -9.065 -1.077 -3.871) 9.915 15.289 ( -8.325 2.780 5.840) 10.543 15.384 ( -3.798 -0.902 2.768) 4.786 15.942 ( -25.949 -15.210 3.960) 30.338 16.201 ( -1.707 0.406 7.238) 7.447 16.290 ( -23.744 -7.693 -7.327) 26.012 16.583 ( -5.357 -10.596 -5.061) 12.907 17.153 ( 1.594 -0.330 2.950) 3.369 17.389 ( 2.028 -0.897 -4.594) 5.101 17.707 ( -17.218 1.082 5.063) 17.980 17.729 ( -22.444 0.453 3.010) 22.649 18.074 ( -4.950 2.852 8.058) 9.878 18.213 ( -2.988 -4.983 3.683) 6.879 18.806 ( -7.450 9.929 3.689) 12.949 19.018 ( 3.785 7.201 -6.741) 10.565 19.250 ( 2.477 -0.305 1.364) 2.844 19.512 ( 7.768 -7.854 -9.330) 14.459 20.071 ( -0.514 6.248 3.395) 7.129 20.229 ( -2.185 -2.783 0.037) 3.539 20.323 ( 1.218 3.344 -0.242) 3.567 20.581 ( -4.549 4.846 -6.279) 9.143 21.262 ( 1.623 13.539 10.213) 17.036 21.425 ( 8.644 2.386 7.384) 11.616 21.572 ( 2.228 0.919 2.600) 3.545 21.752 ( -1.142 -0.691 -0.055) 1.336 22.107 ( -2.385 -3.727 -0.935) 4.522 22.354 ( -3.927 -7.839 -5.485) 10.342 23.301 ( -4.544 -10.644 2.118) 11.766 23.482 ( -4.101 -13.107 -4.890) 14.578 25.087 ( -1.201 -0.304 5.707) 5.840 25.452 ( -6.468 1.001 -9.193) 11.285 26.135 ( 1.463 1.089 0.888) 2.028 26.166 ( -0.606 -0.170 -0.134) 0.643 26.593 ( 9.387 2.002 2.365) 9.886 26.637 ( 8.923 -0.785 0.930) 9.006 27.610 ( -2.851 4.252 -0.544) 5.148 27.719 ( -2.121 3.072 -5.415) 6.577 30.115 ( 2.859 -0.680 0.869) 3.065 30.131 ( 3.694 -0.974 -0.031) 3.820 38.521 ( 16.697 0.448 5.930) 17.724 38.962 ( 26.258 3.000 -15.207) 30.491 40.632 ( -12.145 5.746 16.329) 21.146 41.314 ( -11.494 -5.337 -14.183) 19.020 ======================= Grid point 173 (54/100) ======================= q-point: ( 0.33 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 244 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.408 ( 26.875 -9.642 13.719) 31.678 3.496 ( 23.701 -6.958 16.233) 29.558 3.973 ( 7.538 -0.657 -2.844) 8.083 4.414 ( 8.830 -10.484 -2.587) 13.949 4.788 ( -1.204 -0.971 -3.414) 3.748 4.941 ( -2.200 -4.924 -1.338) 5.557 5.431 ( 6.094 1.316 7.931) 10.088 5.689 ( 8.663 -2.052 0.472) 8.915 6.083 ( -7.473 0.103 7.498) 10.587 6.280 ( 3.612 -4.563 -2.880) 6.494 6.422 ( 9.559 7.440 13.528) 18.159 6.738 ( -1.436 5.007 0.835) 5.275 6.908 ( 14.028 3.555 6.156) 15.726 7.235 ( 3.421 -1.279 4.417) 5.732 7.459 ( 0.450 5.719 -3.539) 6.741 7.719 ( 10.202 3.310 -1.657) 10.853 7.813 ( -0.533 -1.590 -7.369) 7.558 8.019 ( 0.250 9.308 -2.978) 9.776 8.109 ( 5.547 4.276 -8.263) 10.832 8.284 ( 5.211 1.467 -10.234) 11.577 8.332 ( 4.206 -1.320 -8.426) 9.509 8.755 ( 2.671 1.594 -10.196) 10.660 9.088 ( 0.353 -6.958 5.597) 8.937 9.223 ( 2.118 -12.257 5.165) 13.468 9.511 ( 14.732 -5.780 -3.007) 16.109 9.589 ( 1.931 5.451 8.927) 10.636 9.888 ( 11.323 -5.868 1.735) 12.870 10.202 ( 9.051 1.727 3.469) 9.845 10.307 ( 14.404 -6.269 2.070) 15.845 10.683 ( 2.508 -11.610 -9.981) 15.515 10.905 ( 9.210 7.399 1.954) 11.974 11.149 ( 12.788 -1.285 0.618) 12.867 11.346 ( 12.154 10.070 3.209) 16.107 11.736 ( 10.970 2.770 -1.464) 11.409 11.873 ( 4.964 10.872 3.022) 12.328 12.177 ( -0.895 0.403 -5.259) 5.349 12.363 ( 6.844 -0.392 -2.436) 7.276 12.489 ( 10.600 2.809 -8.764) 14.038 12.894 ( 0.507 5.799 6.297) 8.576 13.208 ( -3.393 -2.119 -0.883) 4.096 13.306 ( -7.319 4.802 3.209) 9.323 13.683 ( -7.541 -4.279 -5.888) 10.481 13.838 ( -3.427 5.443 -3.628) 7.384 14.125 ( -16.399 10.352 -4.582) 19.927 14.191 ( -11.710 -0.479 1.845) 11.864 14.328 ( -12.949 -3.326 -2.253) 13.558 14.778 ( 0.968 -0.285 4.699) 4.806 15.000 ( 11.539 2.285 -2.612) 12.049 15.150 ( -3.663 3.108 3.345) 5.854 15.322 ( -6.599 -1.853 -2.618) 7.337 15.754 ( -5.310 -15.485 2.449) 16.553 15.979 ( -12.023 -10.799 -3.563) 16.549 16.193 ( 1.574 2.478 6.842) 7.445 16.611 ( -1.436 -10.104 -5.697) 11.688 17.063 ( -12.976 4.013 5.901) 14.809 17.190 ( -27.177 1.516 3.419) 27.433 17.331 ( -12.834 -0.762 1.972) 13.008 17.351 ( -12.091 -1.726 -0.008) 12.214 17.967 ( -2.055 1.005 4.443) 4.997 18.198 ( -3.883 -7.458 -2.757) 8.848 18.641 ( -2.232 8.522 11.380) 14.391 18.980 ( -2.714 6.485 -4.458) 8.324 19.370 ( 8.024 -0.609 6.081) 10.086 19.752 ( 11.281 -1.768 -6.749) 13.264 20.000 ( -1.664 4.719 1.892) 5.349 20.148 ( -4.579 -0.020 -1.627) 4.859 20.266 ( -4.864 3.287 -0.960) 5.948 20.455 ( -6.538 -2.213 -5.252) 8.673 21.186 ( 0.149 7.857 9.961) 12.688 21.455 ( -8.360 -1.195 5.315) 9.979 21.612 ( 11.040 7.823 2.828) 13.823 21.884 ( 8.661 -1.275 -4.978) 10.071 22.074 ( -4.803 -7.164 3.434) 9.284 22.318 ( -3.038 -1.835 -3.170) 4.758 23.274 ( -4.382 -6.873 2.538) 8.537 23.535 ( 0.065 -9.756 -8.117) 12.692 25.063 ( -1.197 -0.284 3.835) 4.027 25.312 ( -6.481 1.319 -6.236) 9.090 26.125 ( -1.754 0.739 0.691) 2.025 26.143 ( -0.550 1.203 -0.110) 1.327 26.752 ( 7.973 1.675 4.801) 9.457 26.793 ( 6.002 -0.446 4.094) 7.279 27.553 ( -0.077 3.431 -2.568) 4.286 27.709 ( 1.560 0.590 -9.163) 9.313 30.175 ( 2.629 -0.545 0.995) 2.863 30.210 ( 3.582 -0.222 -0.830) 3.683 38.826 ( 13.943 0.707 8.999) 16.610 39.382 ( 18.970 2.891 -14.581) 24.100 40.370 ( -11.164 2.887 16.572) 20.189 41.123 ( -10.503 -3.219 -15.340) 18.868 ======================= Grid point 174 (55/100) ======================= q-point: ( 0.44 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 244 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.677 ( 5.693 -1.175 9.975) 11.545 4.057 ( 3.194 -2.412 -4.140) 5.758 4.217 ( 27.078 -8.021 7.110) 29.122 4.616 ( 1.988 -3.955 3.059) 5.381 4.829 ( 1.056 -3.747 -0.315) 3.906 4.943 ( 0.275 0.698 4.189) 4.255 5.389 ( -2.883 2.853 8.922) 9.801 5.615 ( -13.085 4.717 4.264) 14.548 6.136 ( 7.386 -4.797 7.938) 11.857 6.230 ( 0.050 -1.693 6.954) 7.157 6.486 ( 3.331 7.934 1.404) 8.718 6.631 ( -9.556 -1.721 -3.517) 10.327 6.994 ( 3.328 0.234 3.047) 4.519 7.173 ( -4.082 2.271 9.407) 10.503 7.434 ( -4.713 4.400 -12.734) 14.274 7.764 ( -0.598 0.617 -7.694) 7.742 7.863 ( 7.770 3.045 -9.621) 12.736 8.040 ( -5.432 -1.012 -11.666) 12.908 8.221 ( 10.953 2.638 -1.980) 11.439 8.341 ( -0.449 -0.431 -2.181) 2.268 8.552 ( 14.476 0.302 -7.648) 16.375 8.743 ( -1.613 2.797 -15.102) 15.444 9.126 ( -2.529 -5.715 3.736) 7.281 9.271 ( -3.141 0.790 0.881) 3.356 9.688 ( 11.327 -4.961 6.300) 13.878 9.884 ( 2.109 -0.577 -2.523) 3.339 10.092 ( 13.497 -4.675 11.741) 18.490 10.278 ( 3.717 -3.647 3.067) 6.043 10.638 ( 11.142 -3.837 -2.226) 11.993 10.838 ( 3.240 -7.961 10.308) 13.421 11.138 ( 8.951 2.726 5.697) 10.955 11.226 ( 7.031 4.498 7.196) 11.020 11.595 ( -7.033 8.540 3.726) 11.674 11.702 ( -1.336 0.538 -5.737) 5.915 11.894 ( 13.062 3.706 -4.209) 14.216 12.136 ( -9.883 8.310 -3.558) 13.394 12.358 ( 2.389 -1.245 -0.962) 2.860 12.556 ( -5.798 -3.798 -2.173) 7.264 12.860 ( 1.932 -1.567 -1.836) 3.092 13.070 ( 4.466 11.031 -3.027) 12.279 13.339 ( -3.275 -7.667 2.797) 8.793 13.583 ( -4.091 2.271 -4.374) 6.406 13.726 ( -3.786 -2.857 -10.832) 11.825 13.879 ( -3.203 7.894 -11.968) 14.690 14.000 ( -7.563 0.904 -0.922) 7.673 14.149 ( -4.854 -3.641 -0.598) 6.097 14.843 ( 3.451 -0.726 7.815) 8.574 15.105 ( -2.103 -1.720 2.137) 3.456 15.186 ( 7.941 0.404 -5.098) 9.445 15.277 ( 2.785 -0.525 -0.269) 2.847 15.821 ( 1.189 -6.667 -0.755) 6.814 15.942 ( 0.621 1.486 1.433) 2.156 16.235 ( 4.359 -0.509 4.815) 6.515 16.475 ( -19.939 -2.215 -3.277) 20.327 16.676 ( -13.926 1.983 4.968) 14.918 16.867 ( -3.369 -4.096 0.061) 5.304 17.143 ( -3.664 2.814 5.706) 7.342 17.192 ( -6.932 -0.984 4.061) 8.094 17.996 ( 3.723 -1.795 2.001) 4.592 18.140 ( -5.739 -1.508 -2.360) 6.386 18.625 ( 3.423 -0.887 7.275) 8.089 18.837 ( -5.633 6.380 -2.767) 8.950 19.496 ( 3.664 0.601 11.114) 11.718 19.922 ( 2.503 -0.077 1.936) 3.165 19.973 ( 4.898 2.532 -3.209) 6.379 20.099 ( -4.311 1.482 -1.983) 4.971 20.163 ( 0.373 -1.144 0.065) 1.205 20.341 ( -6.578 -2.132 -6.491) 9.484 21.179 ( 2.989 2.565 5.937) 7.125 21.302 ( -6.821 -0.844 1.910) 7.134 21.757 ( 8.264 6.084 3.942) 10.993 21.930 ( -4.644 -2.870 -1.686) 5.714 22.125 ( 4.701 -4.030 1.436) 6.356 22.261 ( -3.292 0.877 -2.102) 4.003 23.247 ( -1.650 -2.335 3.612) 4.606 23.597 ( 0.562 -3.600 -10.253) 10.881 25.052 ( -0.211 -0.330 2.271) 2.305 25.204 ( -3.109 0.850 -3.877) 5.041 26.089 ( -0.978 0.367 0.983) 1.434 26.128 ( -0.232 0.610 -1.102) 1.281 26.858 ( 3.502 0.891 6.079) 7.072 26.872 ( 1.663 -0.349 6.159) 6.389 27.543 ( 0.447 1.197 -3.536) 3.759 27.739 ( 1.034 -0.097 -10.810) 10.860 30.216 ( 1.077 -0.181 1.032) 1.503 30.262 ( 1.431 0.021 -1.242) 1.895 39.018 ( 5.478 0.366 10.741) 12.063 39.648 ( 9.052 1.250 -15.426) 17.930 40.173 ( -6.619 0.702 18.185) 19.365 40.987 ( -4.341 -1.094 -16.041) 16.654 ======================= Grid point 180 (56/100) ======================= q-point: ( 0.11 0.11 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.776 ( 24.408 0.000 31.961) 40.215 2.872 ( 23.372 0.000 31.202) 38.985 3.937 ( 9.935 0.000 -4.779) 11.025 4.092 ( -2.515 -0.000 -12.876) 13.120 4.866 ( 0.106 0.000 -13.667) 13.667 4.902 ( -6.417 -0.000 -0.914) 6.482 5.186 ( 18.147 0.000 26.253) 31.914 5.395 ( 14.174 0.000 -12.843) 19.127 5.643 ( 51.504 0.000 18.954) 54.881 6.059 ( 18.102 0.000 4.040) 18.547 6.293 ( 2.345 0.000 -6.564) 6.970 6.585 ( 7.709 0.000 1.855) 7.929 6.912 ( -8.671 -0.000 11.652) 14.524 7.162 ( -2.079 -0.000 7.218) 7.511 7.415 ( 22.991 0.000 -0.342) 22.994 7.718 ( 10.287 0.000 -16.270) 19.249 7.909 ( 2.271 0.000 -11.640) 11.860 7.958 ( 3.067 0.000 -8.817) 9.336 8.064 ( 3.009 0.000 -12.003) 12.374 8.099 ( -0.672 -0.000 -1.240) 1.410 8.508 ( 1.728 0.000 4.183) 4.526 8.636 ( -3.403 -0.000 4.571) 5.698 8.974 ( 3.758 0.000 5.679) 6.810 9.143 ( 3.433 0.000 -11.737) 12.229 9.262 ( 0.659 0.000 0.381) 0.761 9.483 ( 11.765 0.000 -6.448) 13.416 9.718 ( 6.279 0.000 7.004) 9.406 9.891 ( -8.198 -0.000 5.719) 9.996 10.159 ( 5.075 0.000 1.685) 5.348 10.491 ( 7.573 0.000 -17.839) 19.380 10.951 ( -2.839 -0.000 14.466) 14.742 11.109 ( -0.955 -0.000 0.255) 0.988 11.203 ( 20.393 0.000 1.535) 20.451 11.397 ( 7.609 0.000 6.708) 10.143 11.883 ( 18.902 0.000 -5.093) 19.576 11.948 ( 2.691 0.000 1.645) 3.154 12.488 ( -4.061 -0.000 -1.049) 4.195 12.586 ( -7.880 -0.000 -7.672) 10.997 12.873 ( 7.191 0.000 3.423) 7.964 12.980 ( 1.189 0.000 -0.987) 1.545 13.451 ( 4.190 0.000 -8.440) 9.423 13.587 ( 4.883 0.000 -10.739) 11.797 14.238 ( -2.147 -0.000 7.272) 7.582 14.362 ( -16.000 -0.000 6.100) 17.124 14.414 ( 4.214 0.000 4.270) 5.999 14.583 ( -19.734 -0.000 -2.861) 19.940 14.857 ( 9.482 0.000 -3.962) 10.276 14.882 ( -2.711 -0.000 -0.903) 2.857 15.331 ( -11.580 -0.000 5.799) 12.951 15.374 ( -6.186 -0.000 4.422) 7.604 15.806 ( -29.307 -0.000 2.810) 29.441 16.201 ( -6.158 -0.000 9.561) 11.373 16.241 ( -19.063 -0.000 -13.325) 23.259 16.494 ( -4.655 -0.000 -1.872) 5.017 17.149 ( 2.970 0.000 2.138) 3.659 17.382 ( 2.699 0.000 -5.577) 6.196 17.718 ( -18.259 -0.000 4.786) 18.876 17.731 ( -22.866 -0.000 4.874) 23.380 18.119 ( -0.459 -0.000 8.026) 8.039 18.148 ( -7.363 -0.000 4.598) 8.681 18.892 ( -8.436 -0.000 4.929) 9.770 19.049 ( -0.415 -0.000 -3.250) 3.276 19.301 ( 1.231 0.000 -3.739) 3.937 19.418 ( 13.754 0.000 -10.173) 17.108 20.140 ( -1.650 -0.000 2.147) 2.708 20.183 ( -1.583 -0.000 2.330) 2.817 20.349 ( 2.094 0.000 -0.660) 2.196 20.622 ( -8.146 -0.000 -7.886) 11.338 21.402 ( -1.215 -0.000 10.039) 10.112 21.437 ( 10.620 0.000 4.876) 11.686 21.606 ( 6.618 0.000 -0.284) 6.624 21.701 ( -8.275 -0.000 7.494) 11.164 22.099 ( -4.325 -0.000 -5.037) 6.639 22.265 ( 1.267 0.000 -6.126) 6.256 23.186 ( -3.419 -0.000 5.374) 6.369 23.408 ( 0.016 0.000 -3.567) 3.567 25.085 ( -1.030 -0.000 5.699) 5.792 25.459 ( -6.514 -0.000 -9.591) 11.594 26.145 ( 1.790 0.000 0.798) 1.960 26.163 ( -0.551 -0.000 0.259) 0.609 26.612 ( 10.464 0.000 1.455) 10.565 26.628 ( 7.801 0.000 1.661) 7.976 27.641 ( -3.050 -0.000 -0.673) 3.124 27.746 ( -4.051 -0.000 -5.491) 6.824 30.110 ( 2.866 0.000 0.735) 2.959 30.123 ( 4.242 0.000 -0.215) 4.247 38.525 ( 16.797 0.000 6.080) 17.863 38.986 ( 26.172 0.000 -16.209) 30.785 40.683 ( -14.065 -0.000 13.561) 19.538 41.267 ( -9.947 -0.000 -11.659) 15.326 ======================= Grid point 181 (57/100) ======================= q-point: ( 0.22 0.11 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 244 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.317 ( 28.341 -2.711 19.499) 34.508 3.408 ( 27.606 -3.909 15.422) 31.862 4.045 ( 7.011 9.432 -4.376) 12.540 4.229 ( 8.762 -13.399 -3.060) 16.300 4.781 ( -3.829 -0.195 -1.584) 4.149 4.885 ( 1.638 -2.102 -8.439) 8.850 5.442 ( 10.217 0.191 11.670) 15.512 5.671 ( 12.278 -0.347 -3.121) 12.673 6.112 ( -8.192 3.683 4.841) 10.203 6.195 ( -5.960 -5.989 0.229) 8.452 6.504 ( 11.922 3.157 14.987) 19.408 6.793 ( 2.130 2.061 1.198) 3.197 6.972 ( 21.009 4.084 10.252) 23.731 7.163 ( 3.388 -5.633 9.019) 11.160 7.566 ( -2.561 6.263 -5.017) 8.423 7.706 ( 1.182 -3.544 -3.968) 5.450 7.869 ( 1.922 7.589 -7.995) 11.190 8.050 ( -3.699 -5.520 -13.833) 15.346 8.151 ( 4.914 2.421 -9.603) 11.056 8.278 ( 15.290 0.241 -13.466) 20.376 8.453 ( -0.456 12.654 8.733) 15.382 8.686 ( 5.899 -10.504 8.315) 14.638 9.034 ( -5.695 -1.201 -4.938) 7.633 9.091 ( 2.565 -3.840 3.241) 5.642 9.478 ( 12.465 2.600 -8.812) 15.485 9.592 ( 4.396 -6.435 -2.786) 8.276 9.873 ( 14.619 3.778 12.306) 19.479 10.161 ( 16.278 -5.841 3.427) 17.631 10.284 ( 10.688 1.904 0.263) 10.860 10.554 ( -3.444 -4.840 -11.080) 12.572 11.000 ( 10.299 5.122 0.889) 11.536 11.093 ( 9.689 -4.223 -5.112) 11.741 11.519 ( 8.723 9.780 11.359) 17.343 11.716 ( 18.243 -4.018 7.862) 20.268 12.015 ( 8.594 6.783 -3.815) 11.594 12.162 ( 4.163 -1.928 -4.528) 6.446 12.366 ( -9.479 0.473 -6.616) 11.569 12.497 ( 1.052 -0.777 -7.526) 7.639 12.990 ( 9.462 8.200 -0.693) 12.540 13.128 ( 5.793 -8.775 -2.559) 10.822 13.398 ( -9.453 6.775 -0.862) 11.662 13.586 ( -10.106 -6.311 -5.029) 12.932 13.989 ( -9.871 9.912 5.292) 14.956 14.131 ( -22.194 -5.536 2.832) 23.048 14.229 ( -3.654 3.369 1.463) 5.181 14.368 ( -4.265 4.489 -4.204) 7.485 14.782 ( -5.582 1.495 3.327) 6.668 14.985 ( 1.933 -2.891 -6.479) 7.353 15.165 ( -5.692 -1.469 4.921) 7.667 15.264 ( -9.090 -3.939 3.049) 10.365 15.627 ( 8.275 -1.346 -1.527) 8.522 15.836 ( -10.129 -6.946 -7.876) 14.590 16.266 ( 3.988 5.719 6.098) 9.262 16.469 ( -0.671 -7.921 -0.685) 7.979 17.108 ( -13.450 1.795 4.671) 14.350 17.208 ( -29.452 0.454 4.248) 29.761 17.324 ( -10.474 0.467 0.137) 10.485 17.338 ( -9.501 -0.716 1.165) 9.599 17.999 ( -3.805 3.345 2.100) 5.485 18.087 ( -4.932 -6.608 1.454) 8.373 18.755 ( -4.622 5.329 12.527) 14.377 19.011 ( -3.916 -0.855 -1.377) 4.238 19.400 ( 9.927 2.775 1.610) 10.433 19.724 ( 13.623 -1.548 -7.630) 15.691 20.064 ( -2.766 3.819 1.222) 4.871 20.122 ( -4.676 -2.795 -0.420) 5.464 20.328 ( -5.001 4.327 -3.212) 7.352 20.411 ( -10.509 -3.513 -6.487) 12.840 21.292 ( -5.012 5.375 8.530) 11.260 21.422 ( -8.565 -2.540 8.745) 12.502 21.733 ( 10.977 7.915 1.366) 13.602 21.841 ( 11.019 -5.335 -1.278) 12.309 22.012 ( -4.412 -0.913 0.917) 4.598 22.283 ( -0.942 -2.201 -5.880) 6.348 23.154 ( -2.627 -5.907 5.411) 8.430 23.467 ( 4.841 -1.333 -7.481) 9.010 25.063 ( -1.117 0.056 3.884) 4.042 25.323 ( -6.844 0.268 -6.634) 9.536 26.131 ( -2.107 0.216 1.007) 2.345 26.155 ( -0.411 0.411 -0.130) 0.595 26.774 ( 7.223 1.144 4.530) 8.602 26.786 ( 6.520 -0.560 4.281) 7.820 27.598 ( -0.585 2.082 -3.361) 3.997 27.708 ( -0.345 -0.472 -8.527) 8.547 30.170 ( 2.881 -0.211 0.874) 3.018 30.208 ( 3.883 -0.116 -1.125) 4.044 38.834 ( 13.879 0.294 9.290) 16.704 39.413 ( 18.046 1.148 -15.067) 23.537 40.407 ( -12.873 1.606 14.225) 19.252 41.083 ( -8.992 -1.666 -13.597) 16.386 ======================= Grid point 182 (58/100) ======================= q-point: ( 0.33 0.11 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 244 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.697 ( 10.535 3.730 10.312) 15.207 3.976 ( 14.950 -8.916 0.515) 17.414 4.192 ( 20.432 5.417 3.219) 21.382 4.518 ( 9.652 -9.122 1.657) 13.383 4.788 ( 2.970 -1.388 1.977) 3.828 4.955 ( 4.067 0.456 -0.208) 4.098 5.444 ( -8.475 4.091 10.884) 14.389 5.675 ( -12.031 2.688 4.346) 13.072 6.074 ( 6.652 -2.374 7.017) 9.956 6.173 ( 3.107 -5.831 3.269) 7.371 6.518 ( -4.235 0.337 -1.333) 4.453 6.599 ( -14.764 -3.045 2.042) 15.213 7.082 ( 4.006 8.361 7.109) 11.683 7.204 ( -2.371 1.315 11.120) 11.446 7.546 ( -4.658 9.461 -13.581) 17.194 7.743 ( 0.262 -3.208 -10.780) 11.250 7.916 ( 6.007 3.857 -8.786) 11.321 8.004 ( -5.505 -2.363 -12.943) 14.262 8.219 ( 2.967 -4.786 -0.595) 5.662 8.327 ( -3.389 0.638 -1.582) 3.794 8.580 ( 12.305 2.552 -5.518) 13.725 8.799 ( -3.814 3.580 -16.453) 17.265 9.043 ( 1.824 -3.166 5.234) 6.383 9.200 ( 2.684 -9.280 0.271) 9.664 9.673 ( 14.478 2.777 5.821) 15.850 9.848 ( 15.533 -4.813 2.332) 16.428 10.122 ( 7.447 7.986 9.671) 14.586 10.240 ( 2.547 -1.587 3.162) 4.360 10.588 ( 7.436 -3.995 -1.673) 8.606 10.654 ( 14.652 -12.684 9.360) 21.522 11.203 ( 10.619 4.935 1.896) 11.862 11.354 ( 3.822 9.216 3.226) 10.486 11.628 ( 6.484 -0.186 -3.046) 7.166 11.808 ( -11.024 9.190 1.142) 14.398 11.931 ( 0.194 0.150 -4.424) 4.430 12.190 ( -11.171 0.001 -4.624) 12.090 12.329 ( -1.477 -1.278 -7.226) 7.485 12.479 ( 0.226 -5.897 -3.432) 6.826 12.823 ( -14.606 -1.248 7.791) 16.602 13.188 ( -9.502 -0.987 -1.470) 9.665 13.268 ( 9.152 3.284 1.545) 9.845 13.495 ( -4.695 -9.597 -3.196) 11.152 13.761 ( -1.276 3.677 -4.676) 6.084 14.006 ( -9.487 -0.196 -6.367) 11.427 14.089 ( 1.189 14.902 -8.477) 17.186 14.213 ( 1.537 14.058 -1.561) 14.227 14.785 ( 2.361 -9.818 1.712) 10.242 15.028 ( -3.763 -8.691 -1.149) 9.540 15.106 ( 0.628 -3.482 -1.929) 4.030 15.246 ( 2.638 -5.900 2.484) 6.924 15.766 ( 5.323 0.341 -0.034) 5.334 15.970 ( 11.325 0.514 -1.522) 11.438 16.266 ( 2.107 5.131 5.576) 7.865 16.442 ( -13.729 -3.172 -0.803) 14.114 16.690 ( -16.276 -0.200 5.918) 17.320 16.803 ( -4.899 -3.337 3.617) 6.944 17.180 ( -5.008 1.004 5.333) 7.384 17.220 ( -2.566 4.455 0.624) 5.179 17.976 ( 2.681 -0.468 1.232) 2.988 18.079 ( -1.674 -5.859 -3.145) 6.857 18.643 ( -2.217 2.839 11.027) 11.600 18.898 ( -7.318 1.631 -2.005) 7.761 19.552 ( 6.283 6.243 8.601) 12.346 19.891 ( 1.668 -3.876 1.047) 4.347 20.005 ( -0.535 1.571 -2.858) 3.304 20.100 ( -6.071 -0.951 0.678) 6.182 20.172 ( 2.631 2.274 -4.137) 5.405 20.302 ( -5.010 -3.090 -6.318) 8.635 21.200 ( -2.080 0.390 4.750) 5.200 21.286 ( -5.682 -0.978 3.267) 6.626 21.793 ( -3.325 -0.130 4.218) 5.373 21.984 ( 5.265 7.755 1.584) 9.507 22.067 ( 8.120 -2.946 -0.637) 8.661 22.260 ( -2.611 -1.410 -4.392) 5.301 23.166 ( -0.771 -6.501 6.110) 8.955 23.588 ( 6.787 1.132 -10.941) 12.925 25.049 ( -0.065 -0.054 2.423) 2.425 25.209 ( -4.159 0.022 -4.067) 5.817 26.092 ( -1.447 0.128 1.066) 1.802 26.136 ( -0.954 0.413 -1.049) 1.477 26.864 ( 1.939 -0.094 6.203) 6.500 26.874 ( 2.620 0.623 6.271) 6.825 27.576 ( -0.074 2.939 -4.606) 5.464 27.719 ( -0.059 -2.255 -10.062) 10.312 30.214 ( 1.322 -0.113 0.991) 1.656 30.262 ( 1.437 -0.010 -1.378) 1.991 39.023 ( 5.052 0.270 10.915) 12.030 39.664 ( 7.476 0.745 -15.210) 16.964 40.186 ( -7.602 0.905 16.896) 18.550 40.970 ( -2.931 -1.018 -15.410) 15.719 ======================= Grid point 183 (59/100) ======================= q-point: (-0.56 0.11 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 244 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.727 ( -2.245 5.015 9.615) 11.074 4.105 ( 2.051 3.831 -4.343) 6.143 4.341 ( -20.303 7.473 6.914) 22.713 4.651 ( 3.327 1.315 -0.361) 3.595 4.855 ( 3.551 -0.623 4.543) 5.800 4.977 ( 0.837 5.516 8.191) 9.911 5.358 ( -2.412 -1.464 7.318) 7.843 5.552 ( 12.569 -3.624 2.681) 13.353 6.159 ( -4.503 -3.418 9.948) 11.442 6.234 ( -7.034 -6.566 5.564) 11.115 6.319 ( -2.710 -3.681 5.013) 6.785 6.622 ( 7.292 -4.214 -7.554) 11.314 7.074 ( -3.164 8.629 0.913) 9.236 7.183 ( 2.414 4.403 7.427) 8.965 7.419 ( 2.706 1.835 -11.028) 11.502 7.721 ( -7.749 -5.147 -2.906) 9.746 7.821 ( -7.215 -3.284 -12.423) 14.737 8.013 ( 0.675 -2.710 -9.575) 9.974 8.202 ( -8.712 -0.311 -7.887) 11.756 8.303 ( -2.782 -4.891 -1.626) 5.857 8.589 ( -8.790 4.677 -9.623) 13.847 8.722 ( -1.072 -0.431 -14.778) 14.824 9.118 ( 4.850 -6.204 2.936) 8.404 9.252 ( 1.761 -1.387 -2.061) 3.045 9.779 ( -6.425 6.326 8.871) 12.649 9.918 ( 2.532 5.369 -0.388) 5.949 10.211 ( -5.360 8.788 9.484) 13.996 10.349 ( 1.109 5.525 1.391) 5.804 10.655 ( -9.319 -5.678 6.218) 12.559 10.863 ( 0.088 2.843 8.288) 8.763 11.150 ( -9.839 1.240 0.389) 9.925 11.270 ( -11.265 9.877 16.178) 22.050 11.478 ( -1.197 -4.505 1.075) 4.784 11.694 ( 4.431 -3.230 5.106) 7.492 11.866 ( -17.303 -0.137 -8.247) 19.169 11.986 ( 2.709 -8.861 -4.339) 10.231 12.299 ( -6.809 -12.251 -5.077) 14.908 12.525 ( 1.468 -7.099 -7.048) 10.111 12.843 ( -11.668 0.345 2.212) 11.881 12.998 ( 10.122 -0.743 -3.318) 10.678 13.410 ( -0.470 -0.363 0.363) 0.696 13.526 ( 7.217 0.299 -3.272) 7.929 13.746 ( -3.950 -0.653 -11.658) 12.326 13.848 ( 4.422 0.479 -3.887) 5.907 14.116 ( 12.266 16.106 -4.835) 20.815 14.240 ( 5.451 7.985 -3.264) 10.204 14.847 ( -2.416 -0.543 3.547) 4.326 15.016 ( -7.632 -14.043 3.645) 16.393 15.117 ( -1.824 -4.045 -2.219) 4.961 15.268 ( -5.328 -3.935 -4.725) 8.136 15.870 ( 5.741 1.109 0.473) 5.867 15.990 ( 1.828 5.089 1.732) 5.678 16.277 ( 0.862 5.759 7.144) 9.217 16.516 ( 21.368 2.590 -3.158) 21.755 16.641 ( 10.169 -2.360 5.527) 11.812 16.889 ( 7.771 -1.317 0.933) 7.936 17.147 ( 2.145 3.422 3.377) 5.265 17.224 ( 8.146 2.666 3.346) 9.201 18.019 ( -2.185 1.091 1.569) 2.903 18.128 ( 6.745 -2.388 -1.069) 7.234 18.642 ( -1.905 -0.543 5.168) 5.534 18.751 ( -3.264 -3.186 -0.980) 4.665 19.536 ( -1.955 5.757 9.767) 11.505 19.892 ( -3.756 -3.886 -1.190) 5.534 19.944 ( -6.466 -1.097 0.053) 6.559 20.061 ( 2.188 -3.530 -1.354) 4.369 20.183 ( -0.145 1.025 0.237) 1.062 20.368 ( 8.078 1.458 -3.681) 8.996 21.141 ( -4.560 -1.695 3.643) 6.078 21.287 ( 3.800 -3.441 -0.652) 5.168 21.677 ( -8.283 -3.215 6.904) 11.252 22.018 ( 1.256 6.956 -4.931) 8.619 22.170 ( 1.945 2.043 2.179) 3.565 22.252 ( 3.070 -0.037 -0.875) 3.192 23.221 ( 2.281 -4.443 6.242) 7.994 23.692 ( 6.963 7.682 -12.595) 16.313 25.058 ( 0.840 0.500 1.931) 2.165 25.184 ( 1.484 -1.638 -3.225) 3.910 26.082 ( 0.349 -0.510 0.900) 1.092 26.119 ( -0.664 -0.495 -1.107) 1.383 26.846 ( -3.897 -0.563 6.268) 7.402 26.877 ( -1.910 0.339 6.259) 6.553 27.545 ( -1.439 1.413 -4.138) 4.604 27.721 ( -1.830 -2.411 -10.427) 10.858 30.219 ( -0.780 0.171 1.071) 1.336 30.261 ( -1.458 -0.058 -1.066) 1.807 39.013 ( -5.955 -0.274 10.561) 12.128 39.630 ( -10.758 -1.160 -15.091) 18.569 40.167 ( 5.669 -0.062 18.644) 19.487 40.999 ( 5.739 0.576 -16.438) 17.421 ======================= Grid point 184 (60/100) ======================= q-point: (-0.44 0.11 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 244 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.576 ( -14.456 10.027 10.433) 20.454 3.616 ( -28.642 11.645 10.511) 32.657 4.058 ( -7.556 9.554 1.566) 12.281 4.508 ( -9.140 1.471 -5.907) 10.982 4.822 ( -2.594 4.198 3.921) 6.303 5.017 ( 6.363 5.169 7.500) 11.111 5.408 ( -1.463 -1.711 5.262) 5.723 5.717 ( -4.532 1.163 1.194) 4.829 6.100 ( 5.047 1.550 6.596) 8.449 6.268 ( -7.142 -11.540 10.205) 16.980 6.327 ( -3.904 -0.314 -2.623) 4.714 6.676 ( 0.658 -1.997 -3.659) 4.220 6.876 ( -11.817 -0.916 3.186) 12.273 7.183 ( -5.957 -5.495 -3.822) 8.960 7.435 ( 2.212 0.871 0.007) 2.377 7.649 ( -16.274 -7.305 1.239) 17.881 7.805 ( -2.487 -4.621 -7.721) 9.335 7.883 ( -1.097 -4.357 -4.566) 6.406 8.082 ( -1.757 0.387 -4.012) 4.397 8.236 ( -3.001 -2.418 -4.254) 5.740 8.429 ( -4.220 8.265 -17.310) 19.641 8.701 ( -1.826 -3.946 -16.740) 17.296 9.195 ( -0.997 3.168 4.372) 5.490 9.323 ( 1.330 -0.772 0.581) 1.644 9.519 ( -15.616 2.660 11.706) 19.697 9.678 ( -9.814 13.335 7.408) 18.138 9.991 ( -8.020 8.296 -0.963) 11.579 10.192 ( -6.331 1.176 8.638) 10.774 10.397 ( -16.819 4.498 0.426) 17.416 10.773 ( -18.153 -7.050 1.503) 19.532 10.869 ( -2.730 8.003 -1.558) 8.598 11.077 ( -3.292 -6.096 6.865) 9.754 11.309 ( -24.593 1.475 -3.152) 24.838 11.616 ( -7.382 -10.563 -14.795) 19.621 11.758 ( 0.300 -4.255 8.244) 9.282 12.115 ( -2.158 -8.320 -3.607) 9.321 12.343 ( -11.044 -9.140 -3.285) 14.707 12.449 ( -17.043 2.367 -5.904) 18.192 12.798 ( 16.054 -5.956 12.855) 21.411 13.206 ( 9.050 -1.703 -2.008) 9.425 13.286 ( -3.968 2.215 8.250) 9.419 13.642 ( 4.249 -4.889 -4.467) 7.868 13.907 ( -0.691 -1.510 -12.358) 12.469 13.964 ( 17.736 1.828 -8.767) 19.869 14.219 ( 11.473 3.054 4.435) 12.674 14.411 ( 15.260 6.060 -3.993) 16.898 14.763 ( -6.277 -2.892 0.449) 6.926 14.913 ( -13.017 -8.625 -2.358) 15.793 15.098 ( 4.146 -3.124 4.384) 6.795 15.324 ( 6.350 -1.521 -3.133) 7.242 15.977 ( 10.817 10.794 2.334) 15.458 16.129 ( 15.902 9.068 1.438) 18.362 16.227 ( 1.076 8.054 7.250) 10.889 16.747 ( 5.718 7.422 -7.903) 12.257 17.001 ( 13.408 -3.540 7.819) 15.920 17.181 ( 23.508 0.508 1.389) 23.555 17.333 ( 16.570 -0.116 2.744) 16.796 17.394 ( 11.930 3.477 -1.346) 12.499 17.964 ( -0.783 0.450 4.684) 4.771 18.273 ( 4.347 1.227 -6.281) 7.737 18.545 ( -2.589 -3.183 10.600) 11.366 18.837 ( 0.538 -11.121 -3.232) 11.593 19.425 ( -4.255 6.087 7.536) 10.581 19.771 ( -7.550 0.845 -6.133) 9.764 19.927 ( -0.185 -4.956 2.988) 5.790 20.112 ( 2.402 -4.463 -3.802) 6.336 20.237 ( 3.309 -1.261 2.851) 4.546 20.480 ( 4.097 1.312 -2.250) 4.854 21.084 ( -3.680 -5.247 6.888) 9.409 21.412 ( 2.695 -7.702 -1.154) 8.241 21.549 ( -5.010 0.256 7.087) 8.683 21.905 ( -8.125 1.572 -6.011) 10.228 22.192 ( 3.733 7.879 3.972) 9.581 22.336 ( 5.577 0.857 -1.084) 5.746 23.314 ( 5.144 -0.228 5.296) 7.387 23.751 ( 8.907 16.845 -12.665) 22.880 25.074 ( 1.535 1.164 3.306) 3.826 25.281 ( 5.853 -2.943 -5.152) 8.334 26.110 ( 0.982 -1.190 0.304) 1.573 26.121 ( 0.556 -1.691 -0.082) 1.782 26.729 ( -8.480 -1.318 5.095) 9.980 26.799 ( -5.771 0.327 4.121) 7.099 27.509 ( -2.089 -2.180 -2.538) 3.944 27.688 ( -2.858 -2.242 -9.229) 9.918 30.185 ( -2.244 0.670 1.144) 2.606 30.213 ( -3.209 0.104 -0.363) 3.231 38.815 ( -14.041 -0.741 8.575) 16.470 39.335 ( -20.201 -3.189 -13.547) 24.531 40.333 ( 9.443 -1.976 18.729) 21.068 41.167 ( 11.962 2.567 -17.112) 21.036 ======================= Grid point 185 (61/100) ======================= q-point: (-0.33 0.11 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 244 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.813 ( -32.837 10.704 16.813) 38.412 3.348 ( -9.526 18.610 28.395) 35.261 3.797 ( -10.731 -0.120 -13.129) 16.957 4.338 ( -5.449 7.673 5.943) 11.130 4.818 ( 2.829 -1.731 -2.914) 4.415 5.067 ( 1.780 6.717 2.680) 7.448 5.318 ( -5.561 0.951 -6.062) 8.281 5.529 ( -12.665 10.942 -2.415) 16.910 5.615 ( -42.738 -1.393 12.317) 44.499 5.957 ( -28.216 -3.929 10.761) 30.453 6.310 ( 1.002 4.282 -0.477) 4.423 6.630 ( -7.191 2.049 -1.078) 7.554 6.916 ( 13.889 -2.926 11.702) 18.396 7.150 ( -8.365 -1.893 3.213) 9.159 7.352 ( -9.507 -13.823 -3.969) 17.240 7.476 ( -4.781 0.372 -5.238) 7.102 7.740 ( -6.863 -7.077 -4.091) 10.673 7.910 ( -1.774 -5.182 -14.607) 15.600 8.084 ( -0.753 4.628 -6.212) 7.783 8.215 ( -7.141 6.730 -14.366) 17.397 8.332 ( 7.194 -4.751 1.219) 8.707 8.745 ( 4.061 -2.490 -5.921) 7.599 9.070 ( -6.000 4.135 1.531) 7.446 9.173 ( -12.590 -1.293 -1.379) 12.731 9.315 ( -4.793 4.669 7.081) 9.742 9.527 ( -7.483 6.698 5.525) 11.463 9.794 ( -0.388 4.256 0.577) 4.313 10.071 ( -2.171 3.468 6.318) 7.527 10.155 ( -4.342 2.233 -5.285) 7.195 10.532 ( -13.366 -2.890 -4.651) 14.444 10.721 ( -7.803 -5.122 4.845) 10.517 10.955 ( -11.037 -10.361 4.204) 15.711 11.117 ( -1.001 -3.633 3.835) 5.377 11.514 ( -7.631 0.711 -9.509) 12.213 11.669 ( -9.499 -6.571 1.437) 11.639 11.900 ( -25.525 -2.913 -3.531) 25.933 12.265 ( 5.579 -11.797 0.500) 13.059 12.377 ( 6.761 -5.769 -1.107) 8.956 12.900 ( -1.466 2.775 6.989) 7.661 13.189 ( -4.955 -1.669 2.843) 5.951 13.327 ( -2.103 2.343 -11.501) 11.924 13.733 ( -6.092 4.307 -10.640) 12.995 14.088 ( 20.864 -10.071 6.996) 24.201 14.242 ( 2.484 -6.742 5.424) 9.002 14.423 ( 4.809 1.559 0.544) 5.084 14.576 ( 1.079 -7.009 -6.985) 9.954 14.721 ( 5.590 3.082 1.122) 6.481 14.897 ( 14.835 -1.514 -3.725) 15.370 15.272 ( 8.411 0.051 4.311) 9.452 15.407 ( 2.414 1.700 1.214) 3.192 16.132 ( 9.380 5.636 6.832) 12.900 16.271 ( 15.244 13.921 5.112) 21.267 16.437 ( 20.635 10.896 -2.458) 23.464 16.766 ( 6.506 12.927 -7.741) 16.412 17.152 ( 1.535 -0.497 5.044) 5.295 17.408 ( 0.156 1.515 -3.466) 3.786 17.686 ( 13.823 -1.525 3.839) 14.427 17.731 ( 21.301 0.903 1.670) 21.385 18.034 ( 7.527 -3.130 6.661) 10.527 18.264 ( -1.316 0.866 -0.180) 1.585 18.640 ( 3.728 -10.896 3.577) 12.059 18.875 ( -3.344 -9.398 -4.995) 11.156 19.319 ( -0.718 7.256 4.079) 8.355 19.618 ( -4.400 6.511 -8.270) 11.407 19.971 ( -0.674 -7.066 4.190) 8.243 20.212 ( 0.610 -6.090 -5.385) 8.152 20.282 ( 1.211 -1.317 4.235) 4.597 20.513 ( -1.235 -3.251 -2.591) 4.337 21.082 ( -2.163 -10.042 10.124) 14.423 21.390 ( -6.057 -2.632 4.573) 8.033 21.544 ( -0.683 -3.048 1.727) 3.569 21.738 ( -6.996 -0.967 -3.219) 7.762 22.194 ( 2.477 6.736 4.444) 8.442 22.444 ( 6.724 4.112 -4.156) 8.910 23.407 ( 5.756 5.349 4.895) 9.258 23.811 ( 14.094 26.778 -13.062) 32.959 25.098 ( 1.687 1.332 5.321) 5.739 25.426 ( 6.473 -2.493 -8.032) 10.613 26.114 ( -1.186 -1.763 0.928) 2.319 26.162 ( 1.088 -0.889 -0.794) 1.614 26.561 ( -9.281 -2.162 3.162) 10.040 26.649 ( -9.175 0.761 0.402) 9.216 27.519 ( 0.070 -7.449 0.151) 7.451 27.672 ( -0.048 -3.085 -5.754) 6.529 30.128 ( -2.764 0.986 1.189) 3.166 30.148 ( -2.629 1.175 0.454) 2.915 38.513 ( -16.454 -0.641 5.567) 17.382 38.906 ( -26.248 -4.155 -12.843) 29.516 40.546 ( 9.482 -5.171 20.390) 23.073 41.394 ( 13.328 4.908 -18.058) 22.974 ======================= Grid point 186 (62/100) ======================= q-point: (-0.22 0.11 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 244 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.277 ( -15.056 1.523 34.709) 37.865 2.906 ( -18.028 21.308 43.615) 51.781 3.739 ( -0.161 -4.826 -23.660) 24.147 4.224 ( 0.063 3.226 3.381) 4.674 4.614 ( -30.703 19.954 51.033) 62.811 4.865 ( -20.258 -0.742 -3.647) 20.597 4.980 ( -0.341 1.304 -12.494) 12.566 5.184 ( -9.625 0.441 -10.405) 14.181 5.272 ( -0.656 5.226 -17.096) 17.889 5.738 ( 3.947 -1.372 12.052) 12.756 6.192 ( -10.830 0.759 -1.911) 11.023 6.491 ( -9.155 4.221 -4.334) 10.973 6.743 ( -19.274 0.664 -5.875) 20.160 7.101 ( -15.835 -3.600 -3.060) 16.525 7.275 ( 10.399 -2.478 5.389) 11.972 7.465 ( 8.356 4.968 2.278) 9.984 7.718 ( -6.472 -4.051 -6.484) 10.017 7.804 ( -14.668 4.044 -15.536) 21.745 8.000 ( 2.770 -6.428 -7.383) 10.174 8.233 ( 5.772 0.252 -7.717) 9.640 8.511 ( 7.148 -1.100 2.616) 7.691 8.717 ( -6.321 2.146 7.189) 9.810 8.933 ( -5.156 1.008 4.902) 7.185 9.092 ( -1.826 -5.689 -2.766) 6.584 9.185 ( -2.411 5.850 -1.399) 6.480 9.331 ( -5.028 2.637 -7.334) 9.275 9.806 ( -0.749 2.335 5.417) 5.946 10.116 ( 3.147 -4.611 0.939) 5.661 10.174 ( 9.422 0.469 0.090) 9.434 10.403 ( 2.507 2.402 -7.796) 8.534 10.696 ( -3.771 -12.300 8.885) 15.635 10.791 ( -11.878 -4.069 3.389) 13.005 11.127 ( -4.764 -9.191 -1.482) 10.458 11.251 ( -16.267 -3.408 -2.256) 16.772 11.601 ( 4.100 -1.770 4.084) 6.052 11.719 ( -4.652 -10.805 -4.050) 12.441 12.435 ( 4.149 -10.175 4.976) 12.062 12.574 ( 3.903 -4.715 4.876) 7.826 12.877 ( 3.520 3.096 1.769) 5.011 13.122 ( -3.381 3.658 -1.477) 5.195 13.227 ( -2.807 -2.882 -10.620) 11.357 13.658 ( 1.764 2.967 -7.051) 7.851 13.975 ( -16.489 -7.313 4.956) 18.706 14.248 ( -12.200 -1.001 -5.731) 13.516 14.637 ( 11.069 -1.466 3.062) 11.578 14.759 ( 10.852 1.512 -0.406) 10.964 14.861 ( 8.211 4.314 3.630) 9.960 15.187 ( 8.506 9.329 -2.186) 12.812 15.391 ( 4.594 -2.408 2.521) 5.767 15.517 ( 10.999 -7.259 -1.409) 13.253 16.256 ( 7.308 2.422 9.823) 12.481 16.526 ( 12.190 7.462 0.042) 14.293 16.734 ( 18.379 6.165 0.568) 19.394 16.870 ( 12.180 9.248 -3.594) 15.710 17.126 ( -0.458 2.084 3.262) 3.898 17.336 ( -0.210 6.011 -3.806) 7.117 17.742 ( -8.455 -0.437 6.925) 10.938 17.987 ( -5.892 -1.848 -2.489) 6.658 18.215 ( 7.637 1.203 3.499) 8.486 18.315 ( 10.724 0.351 -0.125) 10.731 18.745 ( -1.352 -16.291 3.381) 16.693 18.962 ( 5.524 -7.160 -2.485) 9.378 19.317 ( 5.691 4.251 1.817) 7.332 19.558 ( 4.896 7.936 -7.978) 12.272 19.955 ( -7.804 -7.024 3.730) 11.143 20.132 ( -9.950 -1.646 -3.266) 10.601 20.328 ( 0.617 0.008 2.796) 2.863 20.487 ( -5.119 -9.247 -1.040) 10.620 21.158 ( 2.480 -10.007 10.205) 14.506 21.321 ( -1.949 -1.243 6.043) 6.470 21.483 ( -4.563 -0.844 -0.005) 4.641 21.679 ( -5.272 -11.671 0.684) 12.825 22.197 ( 2.468 5.904 2.572) 6.896 22.513 ( 4.325 7.614 -7.455) 11.501 23.443 ( 3.675 10.212 5.605) 12.214 23.880 ( 14.606 34.381 -16.395) 40.794 25.114 ( 1.000 1.450 7.105) 7.320 25.552 ( 4.671 -1.128 -10.534) 11.579 26.082 ( -2.877 -0.519 0.752) 3.019 26.136 ( -4.517 0.074 -2.135) 4.997 26.413 ( -7.231 0.322 2.099) 7.536 26.483 ( -5.425 -2.048 -0.343) 5.809 27.622 ( 2.844 -9.576 2.463) 10.288 27.747 ( 3.958 -6.746 -2.147) 8.111 30.074 ( -1.695 1.222 1.436) 2.536 30.100 ( -0.972 2.347 0.616) 2.614 38.231 ( -11.549 -0.174 2.174) 11.753 38.414 ( -24.555 -2.244 -7.504) 25.774 40.765 ( 6.962 -9.558 20.154) 23.367 41.575 ( 9.073 7.759 -18.690) 22.177 ======================= Grid point 187 (63/100) ======================= q-point: (-0.11 0.11 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.197 ( 0.000 -7.172 47.016) 47.560 2.545 ( -0.000 11.705 51.047) 52.372 3.688 ( -0.000 14.121 -1.223) 14.174 4.100 ( -0.000 17.213 54.317) 56.979 4.435 ( 0.000 -6.239 6.666) 9.130 4.452 ( 0.000 -2.368 -30.704) 30.795 5.027 ( -0.000 0.061 -7.509) 7.509 5.130 ( 0.000 -2.335 -12.777) 12.989 5.238 ( -0.000 2.407 -18.282) 18.440 5.926 ( -0.000 16.167 7.807) 17.953 5.981 ( 0.000 -8.448 4.010) 9.352 6.220 ( -0.000 0.416 -7.276) 7.288 6.550 ( -0.000 2.051 -14.684) 14.827 6.973 ( 0.000 -0.571 -5.507) 5.536 7.447 ( -0.000 1.666 8.497) 8.659 7.516 ( -0.000 0.389 -21.693) 21.697 7.582 ( 0.000 -0.671 8.443) 8.470 7.692 ( -0.000 3.708 -10.704) 11.328 7.973 ( 0.000 -0.623 3.200) 3.260 8.349 ( 0.000 -4.964 -2.183) 5.423 8.581 ( -0.000 1.018 3.757) 3.892 8.655 ( -0.000 0.265 7.870) 7.874 8.876 ( -0.000 1.420 7.001) 7.144 9.061 ( 0.000 -1.175 -3.000) 3.222 9.120 ( -0.000 4.741 -2.802) 5.508 9.316 ( 0.000 -2.537 -25.740) 25.865 9.783 ( 0.000 -1.041 13.547) 13.587 10.194 ( 0.000 -1.753 -5.816) 6.074 10.318 ( 0.000 -0.700 -3.457) 3.527 10.490 ( -0.000 0.014 -10.555) 10.555 10.629 ( -0.000 0.680 7.922) 7.951 10.792 ( 0.000 -13.115 17.842) 22.143 10.942 ( 0.000 -1.907 -9.334) 9.527 11.251 ( 0.000 -8.844 3.386) 9.470 11.697 ( 0.000 -4.231 6.080) 7.408 11.753 ( 0.000 -10.615 -4.798) 11.649 12.587 ( 0.000 -7.901 2.157) 8.190 12.589 ( 0.000 -9.859 9.664) 13.805 12.954 ( -0.000 11.200 -12.674) 16.913 12.957 ( -0.000 5.695 7.043) 9.057 13.306 ( 0.000 -8.610 -5.578) 10.259 13.689 ( -0.000 5.732 -6.388) 8.583 13.824 ( 0.000 -10.290 7.029) 12.462 14.088 ( -0.000 3.211 -3.600) 4.824 14.695 ( -0.000 1.565 1.204) 1.975 14.845 ( -0.000 7.701 -4.522) 8.931 14.909 ( -0.000 3.892 0.740) 3.961 15.169 ( -0.000 13.597 -3.580) 14.060 15.486 ( 0.000 -11.063 7.150) 13.173 15.744 ( 0.000 -8.061 -0.564) 8.080 16.315 ( -0.000 5.529 8.645) 10.262 16.631 ( 0.000 -2.242 -5.319) 5.772 16.842 ( 0.000 -1.376 2.648) 2.984 16.995 ( 0.000 -2.079 -3.941) 4.455 17.300 ( -0.000 8.890 3.257) 9.467 17.473 ( 0.000 -0.538 2.678) 2.731 17.539 ( 0.000 -0.593 0.319) 0.673 17.542 ( -0.000 15.952 -3.640) 16.362 18.315 ( -0.000 0.427 2.944) 2.975 18.458 ( -0.000 1.396 -3.133) 3.430 18.868 ( 0.000 -16.068 7.576) 17.764 19.079 ( 0.000 -7.375 -0.048) 7.375 19.428 ( 0.000 -1.383 -0.704) 1.552 19.668 ( -0.000 5.192 -8.855) 10.265 19.802 ( 0.000 -3.283 3.926) 5.118 19.962 ( -0.000 1.229 -2.758) 3.019 20.321 ( -0.000 0.426 5.060) 5.078 20.499 ( 0.000 -8.573 0.205) 8.575 21.275 ( -0.000 1.041 3.738) 3.880 21.320 ( 0.000 -13.385 15.047) 20.139 21.444 ( -0.000 0.031 -3.419) 3.419 21.719 ( 0.000 -16.924 4.107) 17.415 22.188 ( -0.000 4.347 -1.839) 4.720 22.481 ( -0.000 13.288 -9.578) 16.380 23.399 ( -0.000 10.816 5.326) 12.056 23.784 ( -0.000 32.917 -15.567) 36.412 25.114 ( -0.000 1.108 7.941) 8.018 25.605 ( -0.000 0.144 -12.204) 12.205 26.045 ( 0.000 -0.003 0.165) 0.165 26.055 ( 0.000 -0.014 -0.262) 0.263 26.333 ( -0.000 0.882 4.095) 4.189 26.458 ( 0.000 -2.295 -0.791) 2.428 27.712 ( 0.000 -5.494 3.140) 6.328 27.873 ( 0.000 -10.121 -2.621) 10.455 30.049 ( -0.000 1.082 1.353) 1.732 30.073 ( -0.000 2.545 0.480) 2.589 38.111 ( -0.000 0.046 0.466) 0.468 38.139 ( -0.000 0.071 -0.698) 0.702 40.925 ( 0.000 -12.261 16.359) 20.444 41.601 ( -0.000 9.906 -16.583) 19.317 ======================= Grid point 190 (64/100) ======================= q-point: ( 0.22 0.22 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.753 ( 12.549 0.000 11.620) 17.103 3.876 ( 19.111 0.000 1.767) 19.193 4.284 ( 16.566 0.000 1.664) 16.649 4.403 ( 13.900 0.000 -0.325) 13.903 4.780 ( 4.058 0.000 3.190) 5.162 4.958 ( 5.446 0.000 -0.665) 5.486 5.482 ( -8.649 -0.000 11.545) 14.426 5.691 ( -14.074 -0.000 5.037) 14.949 6.078 ( 6.379 0.000 6.934) 9.422 6.099 ( 5.222 0.000 -1.141) 5.345 6.535 ( -5.406 -0.000 -1.444) 5.596 6.560 ( -19.165 -0.000 5.725) 20.002 7.153 ( 1.948 0.000 9.479) 9.677 7.214 ( 0.653 0.000 9.091) 9.114 7.662 ( 2.870 0.000 -10.082) 10.483 7.682 ( -5.705 -0.000 -13.383) 14.548 7.968 ( -1.495 -0.000 -8.554) 8.683 7.974 ( 2.284 0.000 -16.231) 16.391 8.156 ( 0.313 0.000 2.074) 2.098 8.339 ( -6.829 -0.000 -1.179) 6.930 8.607 ( 8.680 0.000 -7.184) 11.267 8.818 ( -5.548 -0.000 -16.752) 17.646 9.062 ( 14.125 0.000 6.192) 15.422 9.081 ( -2.359 -0.000 2.084) 3.148 9.721 ( 23.363 0.000 4.648) 23.821 9.784 ( 11.157 0.000 4.463) 12.016 10.222 ( 1.174 0.000 2.433) 2.702 10.233 ( 7.658 0.000 5.424) 9.384 10.489 ( 3.727 0.000 15.075) 15.529 10.587 ( 19.518 0.000 -2.967) 19.742 11.250 ( 7.437 0.000 5.303) 9.134 11.426 ( 21.391 0.000 -10.972) 24.041 11.638 ( -1.793 -0.000 3.650) 4.067 11.875 ( -8.831 -0.000 4.880) 10.090 11.925 ( -13.653 -0.000 -6.934) 15.312 12.180 ( -11.514 -0.000 -2.661) 11.818 12.363 ( 12.529 0.000 -11.667) 17.120 12.385 ( -6.805 -0.000 -9.032) 11.309 12.823 ( -23.950 -0.000 12.763) 27.139 13.158 ( -14.106 -0.000 4.692) 14.866 13.356 ( 1.638 0.000 -0.493) 1.711 13.368 ( 9.492 0.000 -1.493) 9.608 13.790 ( -2.929 -0.000 -5.827) 6.522 13.991 ( -10.210 -0.000 -4.018) 10.972 14.231 ( 8.087 0.000 -5.981) 10.059 14.441 ( 6.724 0.000 -6.418) 9.295 14.597 ( -7.752 -0.000 0.893) 7.803 14.929 ( -3.569 -0.000 -13.485) 13.949 15.140 ( -1.128 -0.000 8.376) 8.452 15.146 ( 3.713 0.000 3.725) 5.260 15.782 ( 3.671 0.000 -2.018) 4.189 15.966 ( 18.206 0.000 -0.706) 18.220 16.356 ( -0.558 -0.000 4.267) 4.303 16.375 ( -8.599 -0.000 2.675) 9.006 16.684 ( -15.965 -0.000 6.683) 17.307 16.780 ( -8.571 -0.000 4.623) 9.738 17.188 ( -4.460 -0.000 4.826) 6.571 17.261 ( -1.516 -0.000 -0.952) 1.790 17.987 ( 0.004 0.000 0.704) 0.704 18.011 ( 2.000 0.000 -2.862) 3.492 18.673 ( -5.094 -0.000 12.441) 13.443 18.904 ( -6.829 -0.000 -1.063) 6.912 19.621 ( 9.182 0.000 7.009) 11.551 19.844 ( -1.239 -0.000 -0.089) 1.242 20.017 ( -3.268 -0.000 -2.550) 4.145 20.090 ( -5.563 -0.000 1.759) 5.835 20.201 ( 4.009 0.000 -7.986) 8.936 20.268 ( -5.171 -0.000 -3.530) 6.261 21.202 ( -4.388 -0.000 3.244) 5.457 21.278 ( -5.254 -0.000 3.789) 6.478 21.792 ( -6.504 -0.000 6.224) 9.002 22.027 ( 10.087 0.000 0.453) 10.097 22.081 ( 8.599 0.000 0.728) 8.629 22.235 ( -3.427 -0.000 -6.947) 7.747 23.110 ( 0.175 0.000 8.387) 8.389 23.600 ( 8.648 0.000 -11.789) 14.620 25.049 ( -0.099 -0.000 2.435) 2.437 25.209 ( -4.517 -0.000 -4.045) 6.064 26.093 ( -1.616 -0.000 1.107) 1.959 26.139 ( -1.217 -0.000 -1.023) 1.590 26.863 ( 1.731 0.000 6.370) 6.601 26.879 ( 2.571 0.000 6.319) 6.822 27.608 ( 0.129 0.000 -5.731) 5.733 27.693 ( -0.899 -0.000 -9.191) 9.235 30.213 ( 1.416 0.000 0.974) 1.719 30.262 ( 1.445 0.000 -1.427) 2.031 39.025 ( 4.881 0.000 10.988) 12.023 39.669 ( 6.844 0.000 -14.971) 16.461 40.194 ( -8.071 -0.000 16.118) 18.026 40.962 ( -2.297 -0.000 -15.070) 15.244 ======================= Grid point 191 (65/100) ======================= q-point: ( 0.33 0.22 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 244 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.800 ( -1.654 3.620 9.443) 10.248 4.138 ( 8.358 0.432 -4.203) 9.365 4.432 ( -15.630 4.275 5.855) 17.230 4.657 ( 7.199 -0.457 -1.920) 7.464 4.849 ( 3.658 0.194 9.985) 10.636 5.053 ( 4.826 3.095 8.668) 10.392 5.365 ( -6.134 3.015 8.143) 10.632 5.491 ( 11.294 -4.936 0.622) 12.341 6.038 ( -9.929 -7.066 6.961) 14.034 6.136 ( -10.661 -3.193 8.365) 13.922 6.377 ( 1.389 4.962 3.247) 6.091 6.535 ( 9.213 -5.537 -6.985) 12.819 7.187 ( -3.467 5.063 3.461) 7.045 7.257 ( 7.122 3.311 7.841) 11.098 7.484 ( -6.050 6.713 -12.387) 15.333 7.619 ( -12.611 -8.091 -8.419) 17.187 7.766 ( -12.015 -2.826 -7.512) 14.449 8.010 ( -2.139 1.511 -12.650) 12.918 8.180 ( -3.883 -2.701 -2.994) 5.598 8.241 ( -1.891 -1.908 -5.657) 6.263 8.664 ( -3.365 4.629 -11.390) 12.747 8.712 ( -1.589 -1.500 -13.951) 14.121 9.036 ( -0.217 -3.358 1.826) 3.829 9.207 ( 3.151 -2.998 -7.093) 8.320 9.854 ( -1.582 3.104 10.479) 11.043 10.034 ( -1.490 7.589 2.947) 8.277 10.296 ( 2.667 2.028 12.816) 13.247 10.412 ( 11.076 2.294 0.475) 11.321 10.519 ( -3.010 -7.777 10.479) 13.392 10.935 ( 0.223 2.763 2.906) 4.016 11.206 ( -23.156 7.208 5.173) 24.798 11.416 ( -13.052 4.289 10.008) 16.998 11.435 ( -1.008 -1.802 12.257) 12.430 11.653 ( -6.283 0.269 2.006) 6.601 11.821 ( -2.178 -1.367 -2.533) 3.610 11.963 ( -7.266 0.119 -11.424) 13.539 12.034 ( -11.536 -16.204 -7.633) 21.305 12.444 ( -9.128 -3.192 -9.762) 13.740 12.875 ( 7.409 2.189 4.110) 8.751 12.981 ( 5.595 -1.346 -4.938) 7.583 13.379 ( 0.402 -1.580 2.242) 2.772 13.553 ( 3.060 0.897 -5.888) 6.696 13.765 ( -1.068 2.661 -7.323) 7.864 13.841 ( 5.905 -1.265 0.509) 6.061 14.352 ( 2.475 7.883 -5.937) 10.174 14.408 ( 3.740 18.369 -5.307) 19.482 14.725 ( 2.665 -17.049 -0.655) 17.269 14.859 ( -5.512 -4.300 -5.583) 8.947 15.068 ( -5.656 -1.441 -0.429) 5.853 15.194 ( -1.967 -3.939 -0.344) 4.416 15.886 ( 9.521 0.712 2.418) 9.849 16.030 ( -2.499 0.842 0.800) 2.756 16.395 ( 9.006 8.486 7.273) 14.353 16.512 ( 17.655 -3.872 5.820) 18.989 16.622 ( 9.273 -0.021 0.940) 9.321 16.859 ( 12.154 -1.621 3.285) 12.694 17.212 ( 2.204 4.172 0.537) 4.749 17.247 ( 6.544 -0.163 1.214) 6.658 18.030 ( 1.699 0.542 0.840) 1.972 18.091 ( 5.552 -1.947 -1.657) 6.113 18.613 ( -0.438 -1.590 7.513) 7.692 18.741 ( -9.407 0.211 0.038) 9.410 19.648 ( -2.090 7.930 6.046) 10.189 19.815 ( -3.708 -6.092 -1.939) 7.391 19.936 ( -6.388 -0.172 1.572) 6.581 20.009 ( 0.638 -2.481 0.295) 2.579 20.192 ( -1.177 0.250 -0.403) 1.269 20.383 ( 9.061 0.575 -1.049) 9.139 21.146 ( -2.727 2.428 0.220) 3.657 21.214 ( -1.486 -5.417 -2.132) 6.008 21.658 ( -6.091 -0.112 9.493) 11.280 22.090 ( -5.471 2.073 -6.596) 8.817 22.206 ( 7.530 3.202 1.137) 8.261 22.248 ( 4.529 -1.174 -0.428) 4.698 23.160 ( 3.896 -2.754 10.369) 11.414 23.781 ( 10.923 3.468 -15.087) 18.946 25.065 ( 1.726 0.294 1.606) 2.376 25.163 ( -0.140 -0.955 -2.480) 2.661 26.076 ( -0.129 -0.246 0.845) 0.889 26.114 ( -1.278 -0.187 -1.068) 1.676 26.841 ( -4.020 -0.115 6.491) 7.636 26.880 ( -2.199 0.082 6.548) 6.907 27.578 ( -2.435 2.323 -5.984) 6.865 27.677 ( -1.956 -2.714 -9.064) 9.661 30.221 ( -0.568 0.072 1.092) 1.233 30.261 ( -1.502 -0.034 -0.938) 1.771 39.010 ( -6.263 -0.096 10.453) 12.186 39.617 ( -11.802 -0.464 -14.617) 18.793 40.168 ( 5.059 0.097 18.480) 19.160 41.004 ( 6.597 0.139 -16.545) 17.812 ======================= Grid point 192 (66/100) ======================= q-point: (-0.56 0.22 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 244 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.694 ( -7.713 6.891 10.105) 14.460 3.814 ( -30.881 11.931 3.580) 33.299 4.211 ( -6.001 9.839 3.805) 12.136 4.461 ( -9.298 -6.810 -5.537) 12.786 4.910 ( -4.353 6.735 14.879) 16.902 5.099 ( 7.656 6.115 10.901) 14.657 5.372 ( -0.432 -3.651 6.009) 7.045 5.720 ( -6.111 -0.414 1.299) 6.261 6.054 ( 7.405 -11.308 6.429) 14.968 6.101 ( 7.579 -5.144 2.321) 9.450 6.346 ( -4.991 3.244 -0.845) 6.012 6.667 ( -6.513 -0.971 -13.151) 14.707 6.882 ( -11.770 1.818 2.824) 12.239 7.135 ( -17.414 -0.845 -5.394) 18.250 7.437 ( -0.051 -2.327 -0.875) 2.487 7.532 ( -3.105 -4.019 2.933) 5.865 7.732 ( 3.651 -5.585 -11.985) 13.718 7.878 ( -7.018 2.981 -3.415) 8.355 8.060 ( -6.407 -4.004 -1.276) 7.663 8.236 ( 0.237 1.608 -4.744) 5.014 8.552 ( -3.687 7.461 -17.191) 19.100 8.670 ( -2.330 0.434 -14.951) 15.138 9.117 ( -0.401 -9.418 2.166) 9.672 9.285 ( 1.187 -3.924 -4.326) 5.960 9.652 ( -14.140 12.902 12.878) 23.071 9.841 ( -9.703 6.275 6.156) 13.093 10.133 ( -14.609 8.145 3.350) 17.058 10.228 ( -10.144 2.728 11.459) 15.545 10.421 ( -11.189 0.673 2.208) 11.425 10.678 ( -20.730 -3.699 6.825) 22.135 10.912 ( -7.601 -0.375 -0.842) 7.657 11.043 ( -15.313 -4.466 6.191) 17.110 11.320 ( -9.716 3.880 -2.702) 10.806 11.528 ( -12.042 -2.719 -2.549) 12.606 11.732 ( 1.616 1.166 -7.983) 8.228 11.952 ( -1.529 -12.390 -4.132) 13.149 12.152 ( -22.660 -12.719 2.743) 26.130 12.474 ( 16.686 -1.120 -3.559) 17.098 12.788 ( 1.754 4.826 6.622) 8.379 13.184 ( 5.669 -1.591 -4.149) 7.204 13.321 ( -4.020 1.630 8.943) 9.939 13.562 ( 1.510 -6.290 -0.614) 6.497 13.828 ( 5.367 -0.777 -7.390) 9.167 14.098 ( 12.548 6.416 -10.247) 17.424 14.288 ( 3.860 6.465 1.138) 7.615 14.488 ( 16.162 4.225 -4.764) 17.371 14.695 ( -12.812 -5.262 -4.924) 14.700 14.775 ( -8.362 -9.164 -5.014) 13.381 15.073 ( 7.596 -0.239 3.967) 8.573 15.282 ( 7.305 -3.465 -0.067) 8.085 16.066 ( 7.918 3.036 2.621) 8.875 16.210 ( 19.757 2.397 -1.039) 19.929 16.422 ( 6.996 15.322 11.087) 20.165 16.775 ( 9.350 -4.866 3.417) 11.081 17.009 ( 16.126 5.073 0.186) 16.906 17.192 ( 18.389 0.247 -1.582) 18.458 17.331 ( 18.029 -0.162 2.512) 18.204 17.436 ( 11.674 1.792 -2.580) 12.089 17.983 ( -3.984 2.246 3.813) 5.955 18.234 ( 3.677 -4.807 -5.291) 8.039 18.543 ( -6.294 1.349 6.542) 9.178 18.696 ( 1.879 -7.005 1.154) 7.344 19.532 ( -2.695 7.818 6.076) 10.262 19.773 ( -3.106 -1.009 -5.399) 6.310 19.865 ( -2.185 -2.764 3.556) 5.006 20.030 ( -0.613 -5.989 -3.011) 6.731 20.217 ( 1.955 -1.244 4.910) 5.430 20.498 ( 3.017 1.039 0.639) 3.254 21.043 ( -5.645 -0.229 1.417) 5.825 21.282 ( 1.116 -8.370 -3.461) 9.126 21.572 ( -2.469 1.713 8.344) 8.869 21.925 ( -9.296 1.012 -6.317) 11.285 22.287 ( 2.856 4.383 2.938) 5.999 22.351 ( 6.934 1.217 -0.534) 7.061 23.298 ( 8.417 -1.325 10.538) 13.551 23.971 ( 14.439 11.440 -16.976) 25.051 25.098 ( 2.383 1.979 2.103) 3.744 25.229 ( 4.811 -3.739 -3.313) 6.936 26.093 ( 0.146 -0.967 0.075) 0.981 26.097 ( 0.200 -1.326 -0.060) 1.342 26.715 ( -8.762 -0.517 5.322) 10.265 26.802 ( -5.646 0.060 4.451) 7.190 27.492 ( -5.127 -0.265 -3.686) 6.320 27.650 ( -2.626 -2.484 -8.456) 9.196 30.194 ( -1.827 0.540 1.236) 2.271 30.213 ( -3.038 -0.087 0.066) 3.040 38.806 ( -14.128 -0.448 8.223) 16.353 39.295 ( -21.115 -1.996 -12.489) 24.613 40.313 ( 8.381 -0.801 19.728) 21.450 41.196 ( 12.813 1.261 -18.136) 22.241 ======================= Grid point 193 (67/100) ======================= q-point: (-0.44 0.22 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 244 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.019 ( -32.382 16.043 7.729) 36.956 3.539 ( -7.164 5.058 3.391) 9.402 3.878 ( -15.939 11.251 9.494) 21.697 4.436 ( -1.681 5.808 12.255) 13.665 4.786 ( -1.750 -2.507 5.929) 6.671 5.140 ( -5.870 1.525 12.970) 14.318 5.307 ( -4.902 -0.756 -6.473) 8.155 5.524 ( -16.427 -5.550 -5.047) 18.058 5.729 ( -25.861 10.499 -10.586) 29.851 5.922 ( -24.390 -1.249 8.591) 25.889 6.426 ( 4.932 10.140 3.479) 11.801 6.665 ( -4.986 2.675 1.355) 5.819 6.821 ( 13.795 -8.766 4.534) 16.961 7.037 ( -2.850 -14.959 -5.145) 16.074 7.232 ( -13.809 3.232 5.552) 15.230 7.504 ( -2.722 -0.082 -5.266) 5.928 7.688 ( -8.159 0.184 -0.837) 8.203 7.850 ( 2.580 -1.780 -13.479) 13.839 8.133 ( -1.501 -1.476 -7.060) 7.367 8.219 ( 5.943 -2.106 6.614) 9.137 8.385 ( -5.896 9.837 -18.607) 21.857 8.670 ( 2.215 -6.162 -8.844) 11.005 9.050 ( -12.228 -7.736 0.940) 14.500 9.170 ( -11.683 1.537 -1.863) 11.931 9.412 ( -2.021 8.817 8.700) 12.551 9.662 ( -5.782 9.654 5.617) 12.577 9.820 ( -7.982 0.362 3.459) 8.707 10.125 ( -7.575 1.616 7.604) 10.854 10.173 ( -2.311 -0.814 -3.052) 3.914 10.415 ( -12.538 -6.795 5.668) 15.346 10.671 ( -13.199 -5.226 -5.734) 15.310 10.833 ( -14.920 -6.419 1.809) 16.343 11.114 ( -5.323 4.372 2.900) 7.474 11.401 ( -5.656 -9.071 -3.129) 11.138 11.704 ( -4.975 5.275 -3.887) 8.227 11.836 ( -21.676 -6.445 -2.999) 22.812 12.115 ( 5.120 -8.496 0.956) 9.965 12.292 ( 1.246 -4.546 0.993) 4.817 12.937 ( -1.088 3.136 3.025) 4.491 13.166 ( -6.894 -1.014 3.401) 7.754 13.368 ( 2.354 2.699 -7.760) 8.546 13.719 ( -5.440 -7.987 -8.566) 12.914 13.967 ( 23.171 -4.997 5.923) 24.432 14.172 ( -4.276 -0.665 2.390) 4.943 14.406 ( -10.161 -4.645 -4.721) 12.129 14.511 ( 11.047 -0.540 -6.828) 12.998 14.759 ( 12.620 0.859 0.185) 12.650 14.909 ( 18.205 3.536 0.649) 18.557 15.270 ( 9.723 -0.767 2.600) 10.094 15.421 ( 4.756 0.107 -0.008) 4.758 16.175 ( 6.176 2.127 8.298) 10.560 16.518 ( 15.022 16.090 1.350) 22.054 16.584 ( 19.675 8.840 2.931) 21.768 16.921 ( 6.361 5.860 -4.039) 9.546 17.156 ( 5.299 2.744 4.274) 7.340 17.422 ( 3.541 -0.297 -4.018) 5.364 17.680 ( 8.934 1.084 2.782) 9.420 17.752 ( 19.188 1.620 0.911) 19.278 17.970 ( 7.890 -5.356 3.556) 10.177 18.210 ( -7.556 -7.546 -6.466) 12.484 18.534 ( 2.083 -3.107 7.346) 8.244 18.777 ( 2.988 -3.688 -1.339) 4.931 19.442 ( -0.134 9.032 4.658) 10.163 19.706 ( -2.052 5.092 -6.684) 8.650 19.871 ( -1.144 -5.790 4.383) 7.351 20.093 ( -0.080 -9.122 -4.468) 10.158 20.253 ( 0.442 -2.545 5.317) 5.911 20.490 ( -3.036 -0.310 -0.731) 3.138 20.972 ( -2.722 -4.711 5.917) 8.039 21.325 ( -2.479 -6.050 -2.391) 6.962 21.514 ( -3.501 -0.392 4.761) 5.923 21.732 ( -9.778 -0.065 -3.617) 10.426 22.288 ( 1.684 5.647 5.592) 8.124 22.477 ( 6.188 0.555 -3.062) 6.926 23.481 ( 10.743 4.612 10.564) 15.757 24.181 ( 19.578 21.549 -18.751) 34.631 25.128 ( 2.447 2.776 3.799) 5.304 25.377 ( 6.633 -4.203 -6.170) 9.986 26.085 ( -1.130 -2.055 0.937) 2.525 26.140 ( 1.287 -1.839 -1.216) 2.553 26.534 ( -9.537 -1.265 3.457) 10.223 26.659 ( -8.974 0.562 0.159) 8.993 27.412 ( -4.543 -6.381 1.087) 7.908 27.632 ( -0.498 -2.235 -6.524) 6.914 30.142 ( -2.674 0.832 1.491) 3.172 30.163 ( -1.719 0.770 1.043) 2.153 38.504 ( -16.196 -0.520 5.178) 17.011 38.850 ( -25.950 -3.240 -10.512) 28.185 40.487 ( 7.905 -2.767 22.596) 24.098 41.451 ( 14.104 2.761 -20.495) 25.032 ======================= Grid point 194 (68/100) ======================= q-point: (-0.33 0.22 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 244 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.398 ( -17.437 14.007 20.232) 30.159 3.241 ( -20.195 23.432 35.853) 47.354 3.598 ( -2.946 -12.725 -26.287) 29.353 4.315 ( -3.363 8.259 17.950) 20.044 4.684 ( -25.800 -12.590 4.295) 29.027 4.926 ( -0.658 5.533 11.299) 12.598 5.087 ( -10.759 12.409 0.866) 16.446 5.227 ( -10.546 7.014 -9.969) 16.118 5.361 ( -5.909 7.271 -9.550) 13.378 5.719 ( 5.034 -0.617 10.466) 11.630 6.219 ( -13.481 2.950 2.268) 13.985 6.582 ( -5.643 7.858 -3.769) 10.382 6.738 ( -19.398 -2.082 -4.614) 20.047 7.021 ( -7.415 -5.316 2.249) 9.397 7.262 ( 14.193 0.491 5.696) 15.301 7.536 ( 4.674 2.921 4.669) 7.223 7.648 ( 1.638 -4.172 -7.857) 9.046 7.865 ( -7.599 2.789 -11.119) 13.753 7.949 ( -1.886 1.437 -17.111) 17.275 8.249 ( -1.524 2.147 -9.624) 9.978 8.482 ( 10.177 -3.292 3.465) 11.244 8.707 ( -7.184 -3.658 5.272) 9.632 8.898 ( -5.451 -8.897 -1.502) 10.542 9.023 ( -1.289 0.578 -0.685) 1.570 9.286 ( -4.643 6.050 0.692) 7.658 9.400 ( -9.149 6.590 -2.657) 11.584 9.846 ( -0.805 2.184 4.902) 5.427 9.990 ( -1.711 -8.745 4.911) 10.174 10.191 ( 4.263 1.249 1.817) 4.800 10.419 ( 4.110 -7.714 0.027) 8.740 10.518 ( -5.271 -7.205 -1.808) 9.109 10.695 ( -5.348 -7.893 1.731) 9.690 10.970 ( -11.153 -9.108 -1.151) 14.446 11.191 ( -20.339 -3.979 -1.223) 20.761 11.586 ( -2.226 -5.478 -0.428) 5.929 11.660 ( 3.687 8.260 -5.006) 10.339 12.294 ( 6.322 -9.050 7.423) 13.304 12.495 ( 4.843 -6.923 7.914) 11.577 12.872 ( -0.907 -2.708 -3.030) 4.164 13.109 ( 1.101 -1.023 3.796) 4.083 13.282 ( -5.748 5.736 -13.169) 15.471 13.645 ( -2.009 -4.862 -7.602) 9.244 13.881 ( -16.707 -5.066 1.909) 17.562 14.183 ( -12.328 -6.919 -9.747) 17.172 14.599 ( 22.414 -2.972 7.238) 23.740 14.786 ( 12.766 2.780 0.262) 13.067 14.967 ( 8.229 8.372 4.375) 12.528 15.224 ( 10.721 -2.194 5.419) 12.212 15.368 ( 3.645 -0.784 -0.225) 3.736 15.518 ( 6.876 4.770 -8.963) 12.263 16.307 ( 9.400 4.395 11.388) 15.406 16.676 ( 9.544 11.459 -0.656) 14.927 16.815 ( 8.020 5.070 2.856) 9.909 16.968 ( 1.288 2.868 -2.977) 4.330 17.185 ( 5.772 6.315 5.724) 10.294 17.425 ( 1.963 5.513 -3.672) 6.908 17.716 ( -2.528 -3.226 3.667) 5.500 17.913 ( -10.206 -8.678 -4.394) 14.098 18.228 ( 8.009 -0.651 3.162) 8.635 18.288 ( 15.404 -1.794 0.383) 15.513 18.586 ( 0.439 -5.241 6.940) 8.708 18.886 ( 5.031 -2.417 -3.610) 6.647 19.405 ( 3.419 7.561 2.820) 8.764 19.658 ( 2.604 5.654 -6.712) 9.154 19.858 ( -5.826 -5.553 4.232) 9.093 20.083 ( -6.588 -4.588 -4.124) 9.025 20.288 ( -0.419 -4.873 3.942) 6.282 20.415 ( -3.789 -1.083 -0.685) 3.999 21.016 ( 1.932 -8.428 8.722) 12.281 21.310 ( -1.039 -1.764 1.660) 2.636 21.440 ( -5.285 -4.953 0.363) 7.253 21.560 ( -8.766 -3.374 -1.806) 9.565 22.279 ( 1.428 5.119 6.220) 8.181 22.568 ( 3.300 0.429 -5.785) 6.674 23.607 ( 7.408 11.513 10.959) 17.536 24.377 ( 18.222 30.140 -23.758) 42.484 25.148 ( 1.676 3.067 5.420) 6.450 25.526 ( 5.740 -2.423 -8.890) 10.856 26.071 ( -1.786 -1.018 0.872) 2.233 26.130 ( -4.253 -1.063 -2.212) 4.910 26.407 ( -4.150 -1.245 1.227) 4.503 26.461 ( -9.206 -0.407 -1.185) 9.291 27.441 ( 0.035 -13.061 5.576) 14.202 27.672 ( 2.165 -3.746 -3.994) 5.888 30.093 ( -1.411 1.276 2.087) 2.824 30.132 ( -0.506 1.808 1.025) 2.140 38.228 ( -11.213 -0.179 2.016) 11.394 38.381 ( -22.102 -2.010 -5.475) 22.859 40.650 ( 5.239 -5.836 24.475) 25.701 41.666 ( 9.679 4.434 -22.971) 25.318 ======================= Grid point 195 (69/100) ======================= q-point: (-0.22 0.22 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.175 ( -0.000 5.572 34.674) 35.119 2.788 ( -0.000 20.465 43.259) 47.856 3.726 ( 0.000 -9.473 -29.880) 31.346 4.274 ( -0.000 2.478 26.985) 27.099 4.381 ( 0.000 -7.950 -21.188) 22.631 4.648 ( -0.000 36.869 48.923) 61.260 5.036 ( -0.000 1.341 -8.888) 8.989 5.111 ( 0.000 -0.354 -4.402) 4.417 5.282 ( -0.000 3.081 -18.674) 18.927 5.850 ( 0.000 -8.313 5.255) 9.835 6.166 ( -0.000 13.891 9.152) 16.634 6.203 ( 0.000 -2.660 -10.675) 11.001 6.594 ( -0.000 3.996 -15.713) 16.213 6.966 ( -0.000 0.134 4.133) 4.135 7.475 ( -0.000 1.868 8.328) 8.534 7.545 ( -0.000 3.681 -13.191) 13.694 7.569 ( 0.000 -0.996 6.269) 6.348 7.772 ( -0.000 7.113 -28.343) 29.222 7.960 ( 0.000 -1.105 2.949) 3.149 8.259 ( 0.000 -6.679 -1.494) 6.844 8.593 ( -0.000 0.372 6.369) 6.380 8.641 ( 0.000 -2.689 2.453) 3.640 8.915 ( -0.000 3.801 8.943) 9.717 9.001 ( 0.000 -8.158 -7.091) 10.809 9.190 ( -0.000 3.910 -3.048) 4.958 9.301 ( -0.000 1.854 -16.983) 17.084 9.778 ( -0.000 0.816 11.448) 11.478 10.099 ( 0.000 -9.905 5.683) 11.419 10.295 ( 0.000 -2.503 -5.662) 6.190 10.488 ( 0.000 -5.902 -7.985) 9.930 10.600 ( 0.000 -8.630 10.541) 13.623 10.643 ( -0.000 1.321 5.350) 5.511 10.902 ( 0.000 -3.426 -6.817) 7.629 11.015 ( 0.000 -19.729 2.474) 19.884 11.616 ( 0.000 -5.788 -2.760) 6.412 11.678 ( -0.000 2.153 -1.301) 2.515 12.475 ( 0.000 -7.303 9.166) 11.719 12.487 ( 0.000 -5.210 9.811) 11.108 12.956 ( 0.000 -4.957 -0.534) 4.985 13.116 ( -0.000 9.789 -15.115) 18.007 13.201 ( 0.000 -4.859 0.344) 4.871 13.690 ( 0.000 -6.901 6.432) 9.434 13.711 ( 0.000 -3.441 -7.967) 8.679 14.080 ( 0.000 -3.775 -9.985) 10.675 14.769 ( -0.000 7.616 4.341) 8.766 14.960 ( -0.000 7.349 -4.136) 8.433 14.970 ( -0.000 1.620 7.185) 7.365 15.237 ( 0.000 -1.146 10.803) 10.863 15.486 ( -0.000 5.037 -3.466) 6.114 15.595 ( 0.000 -6.000 -11.894) 13.322 16.395 ( -0.000 5.765 11.077) 12.487 16.695 ( -0.000 10.257 -1.866) 10.425 16.817 ( 0.000 -1.819 3.285) 3.755 16.951 ( 0.000 -3.725 -2.138) 4.295 17.457 ( -0.000 9.922 3.168) 10.415 17.462 ( 0.000 -0.822 1.787) 1.967 17.528 ( 0.000 -0.817 -0.084) 0.821 17.709 ( -0.000 4.563 -3.090) 5.511 18.324 ( -0.000 0.807 3.559) 3.649 18.484 ( -0.000 1.931 -3.181) 3.721 18.636 ( 0.000 -11.773 12.018) 16.824 18.970 ( 0.000 -5.927 -3.168) 6.721 19.443 ( -0.000 3.203 1.398) 3.495 19.731 ( -0.000 3.509 -7.675) 8.439 19.746 ( 0.000 -3.947 4.780) 6.199 19.978 ( -0.000 0.805 -4.940) 5.005 20.304 ( 0.000 -4.032 4.510) 6.050 20.399 ( 0.000 -2.996 0.791) 3.098 21.131 ( 0.000 -11.693 11.780) 16.598 21.296 ( -0.000 1.662 3.679) 4.037 21.444 ( 0.000 -0.049 -2.680) 2.680 21.487 ( 0.000 -14.316 -0.092) 14.317 22.259 ( -0.000 4.712 5.035) 6.896 22.592 ( -0.000 2.615 -7.704) 8.135 23.582 ( -0.000 13.965 9.731) 17.021 24.334 ( -0.000 36.257 -28.526) 46.134 25.143 ( -0.000 2.820 6.747) 7.313 25.604 ( 0.000 -0.477 -11.193) 11.203 26.045 ( 0.000 -0.004 0.161) 0.161 26.055 ( 0.000 -0.022 -0.257) 0.258 26.347 ( -0.000 0.810 1.971) 2.131 26.411 ( 0.000 -3.617 -0.229) 3.625 27.559 ( 0.000 -14.666 5.368) 15.617 27.741 ( 0.000 -6.364 -2.203) 6.735 30.069 ( -0.000 1.530 2.044) 2.553 30.113 ( -0.000 2.476 0.631) 2.555 38.112 ( -0.000 0.070 0.474) 0.479 38.140 ( -0.000 0.109 -0.711) 0.720 40.761 ( 0.000 -9.057 23.679) 25.352 41.726 ( -0.000 6.461 -23.122) 24.007 ======================= Grid point 200 (70/100) ======================= q-point: (-0.67 0.33 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.754 ( -5.441 -0.000 9.703) 11.124 3.912 ( -31.811 -0.000 1.044) 31.828 4.340 ( 9.256 0.000 2.762) 9.659 4.345 ( -23.826 -0.000 -1.339) 23.864 4.972 ( -1.880 -0.000 19.924) 20.012 5.169 ( 3.247 0.000 8.938) 9.510 5.320 ( 0.617 0.000 8.641) 8.663 5.715 ( -10.298 -0.000 1.937) 10.479 5.953 ( 11.161 0.000 2.868) 11.524 6.052 ( 14.441 0.000 1.355) 14.504 6.385 ( -3.958 -0.000 -0.409) 3.979 6.648 ( -9.273 -0.000 -17.914) 20.172 6.904 ( -13.614 -0.000 2.792) 13.897 7.135 ( -25.418 -0.000 -6.629) 26.268 7.398 ( -0.781 -0.000 7.380) 7.421 7.530 ( 8.078 0.000 -9.508) 12.476 7.674 ( 2.190 0.000 -7.078) 7.409 7.923 ( -3.119 -0.000 -4.146) 5.188 8.008 ( -10.694 -0.000 0.064) 10.694 8.250 ( 0.191 0.000 -6.141) 6.144 8.610 ( -4.658 -0.000 -19.079) 19.639 8.694 ( -0.831 -0.000 -11.013) 11.044 9.026 ( -0.590 -0.000 2.436) 2.506 9.247 ( 0.230 0.000 -6.903) 6.907 9.793 ( -5.637 -0.000 15.160) 16.174 9.865 ( -15.309 -0.000 3.506) 15.706 10.155 ( -16.257 -0.000 8.792) 18.482 10.267 ( -18.939 -0.000 3.678) 19.292 10.442 ( -4.416 -0.000 6.468) 7.832 10.690 ( -23.315 -0.000 10.131) 25.421 10.856 ( -7.757 -0.000 2.452) 8.136 10.998 ( -22.279 -0.000 0.918) 22.298 11.413 ( -0.308 -0.000 -1.135) 1.176 11.470 ( -12.015 -0.000 1.522) 12.111 11.789 ( -3.542 -0.000 -0.350) 3.560 11.809 ( 3.298 0.000 -16.816) 17.136 12.043 ( -26.126 -0.000 5.029) 26.605 12.456 ( 29.048 0.000 -0.974) 29.064 12.849 ( -8.009 -0.000 0.815) 8.051 13.164 ( 7.371 0.000 -8.304) 11.104 13.331 ( -1.299 -0.000 11.337) 11.411 13.505 ( -2.196 -0.000 2.878) 3.620 13.839 ( 0.529 0.000 -6.514) 6.536 14.136 ( 17.000 0.000 -4.422) 17.566 14.358 ( 2.294 0.000 -4.150) 4.741 14.524 ( 11.489 0.000 -2.157) 11.689 14.666 ( -12.607 -0.000 -7.200) 14.518 14.672 ( -6.152 -0.000 -9.687) 11.475 15.076 ( 9.158 0.000 2.788) 9.573 15.250 ( 8.085 0.000 2.349) 8.419 16.087 ( 5.839 0.000 2.603) 6.393 16.225 ( 22.845 0.000 -1.086) 22.871 16.603 ( 8.015 0.000 12.726) 15.040 16.668 ( 10.229 0.000 7.243) 12.534 17.070 ( 22.535 0.000 -2.140) 22.637 17.186 ( 11.537 0.000 -3.769) 12.137 17.330 ( 18.227 0.000 2.370) 18.380 17.448 ( 11.933 0.000 -2.975) 12.298 18.011 ( -5.776 -0.000 2.905) 6.465 18.185 ( 2.772 0.000 -4.272) 5.092 18.555 ( -7.868 -0.000 4.746) 9.189 18.643 ( 4.144 0.000 3.382) 5.349 19.613 ( -2.999 -0.000 4.344) 5.279 19.747 ( -0.739 -0.000 -2.572) 2.676 19.852 ( -1.966 -0.000 1.747) 2.630 19.973 ( -2.737 -0.000 -1.633) 3.187 20.207 ( 1.355 0.000 5.274) 5.446 20.506 ( 2.737 0.000 1.733) 3.240 21.054 ( -7.525 -0.000 -1.860) 7.751 21.207 ( 2.684 0.000 -3.282) 4.240 21.586 ( -2.325 -0.000 8.594) 8.903 21.933 ( -9.832 -0.000 -6.416) 11.740 22.317 ( 3.537 0.000 2.189) 4.160 22.365 ( 5.974 0.000 -0.639) 6.008 23.287 ( 10.211 0.000 13.129) 16.632 24.060 ( 16.386 0.000 -18.663) 24.836 25.120 ( 3.437 0.000 0.963) 3.569 25.191 ( 3.650 0.000 -1.819) 4.078 26.086 ( 1.212 0.000 0.152) 1.221 26.086 ( -1.487 -0.000 -0.186) 1.499 26.712 ( -8.854 -0.000 5.401) 10.371 26.802 ( -5.598 -0.000 4.681) 7.297 27.492 ( -6.996 -0.000 -4.628) 8.388 27.628 ( -1.799 -0.000 -7.763) 7.969 30.199 ( -1.512 -0.000 1.276) 1.979 30.212 ( -3.140 -0.000 0.226) 3.148 38.802 ( -14.162 -0.000 8.088) 16.309 39.280 ( -21.437 -0.000 -12.056) 24.595 40.307 ( 8.031 0.000 19.965) 21.520 41.205 ( 13.083 0.000 -18.447) 22.615 ======================= Grid point 202 (71/100) ======================= q-point: (-0.56 0.33 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 244 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.245 ( -29.924 12.222 -0.007) 32.324 3.517 ( -17.907 -5.409 -7.174) 20.034 4.055 ( -5.226 8.909 20.319) 22.794 4.492 ( 2.435 0.872 15.394) 15.609 4.770 ( -12.454 0.988 19.560) 23.209 5.085 ( -18.323 -5.676 9.780) 21.531 5.347 ( 0.982 4.955 -1.775) 5.354 5.444 ( -9.849 -5.077 -10.073) 14.975 5.846 ( -21.909 4.572 -3.064) 22.590 5.912 ( -23.738 -0.263 -9.878) 25.713 6.550 ( 16.170 6.167 -0.464) 17.313 6.658 ( 13.048 -6.638 3.843) 15.135 6.749 ( -6.511 3.044 -2.027) 7.468 6.852 ( -4.779 -8.570 -5.066) 11.043 7.328 ( -6.645 6.599 12.625) 15.719 7.480 ( -10.331 -2.174 -8.007) 13.251 7.702 ( -2.464 0.755 -1.661) 3.066 7.871 ( 2.650 3.795 -9.854) 10.887 8.026 ( 4.287 -8.478 -0.889) 9.542 8.232 ( 1.433 0.907 -1.170) 2.060 8.524 ( -4.785 7.285 -16.441) 18.608 8.600 ( -4.698 -3.044 -7.633) 9.466 8.935 ( -11.918 -5.564 1.785) 13.273 9.156 ( -8.239 -2.061 -6.372) 10.618 9.583 ( -6.002 12.877 12.774) 19.105 9.746 ( -1.933 -1.849 4.210) 4.987 9.836 ( -14.453 3.025 4.504) 15.438 9.996 ( -7.968 -10.566 2.179) 13.412 10.218 ( -13.492 2.712 4.082) 14.355 10.403 ( -8.255 2.133 5.414) 10.099 10.605 ( -15.157 -2.390 -5.194) 16.199 10.733 ( -9.245 -5.531 -1.690) 10.905 11.183 ( -16.677 1.563 5.515) 17.634 11.363 ( -3.818 4.676 -0.740) 6.082 11.642 ( -15.149 -10.161 5.349) 19.010 11.850 ( 6.295 7.814 -7.855) 12.743 11.985 ( 7.766 -9.491 -4.196) 12.961 12.266 ( -14.011 0.135 1.197) 14.063 13.013 ( 0.813 6.919 -1.744) 7.182 13.127 ( -6.405 -5.193 -0.614) 8.268 13.425 ( 1.628 5.997 -2.032) 6.538 13.556 ( -0.460 -11.214 -1.319) 11.301 13.916 ( 19.671 -2.033 6.138) 20.706 14.224 ( -11.914 5.631 -4.165) 13.821 14.328 ( -15.702 -5.298 -7.364) 18.134 14.508 ( 17.851 -0.419 -8.255) 19.672 14.768 ( 16.140 0.647 1.007) 16.184 14.964 ( 22.205 2.531 3.241) 22.582 15.251 ( 7.525 -1.287 2.157) 7.933 15.418 ( 7.368 -0.183 -1.098) 7.451 16.200 ( 6.900 0.935 8.607) 11.071 16.648 ( 18.098 2.895 -3.536) 18.666 16.757 ( 12.985 12.593 8.397) 19.942 16.905 ( 8.373 -6.703 5.111) 11.882 17.258 ( 6.512 9.290 -2.237) 11.563 17.378 ( 5.886 -5.918 -3.978) 9.246 17.718 ( 7.567 3.519 1.625) 8.502 17.762 ( 11.504 -1.082 0.810) 11.583 17.901 ( 10.070 -2.802 0.997) 10.500 18.104 ( -9.570 -4.810 -7.694) 13.188 18.517 ( 2.082 -0.194 8.556) 8.808 18.751 ( 6.361 -0.509 -0.051) 6.382 19.570 ( 0.792 6.957 4.701) 8.434 19.733 ( -1.905 -2.371 -0.527) 3.086 19.847 ( 0.560 4.041 -0.539) 4.115 19.955 ( -0.780 -8.899 -2.785) 9.357 20.221 ( -0.321 -1.317 5.790) 5.947 20.490 ( -3.686 0.060 0.106) 3.688 20.937 ( -3.786 -0.682 1.855) 4.271 21.244 ( -0.911 -3.612 -5.740) 6.843 21.519 ( -4.861 0.509 6.389) 8.044 21.732 ( -10.519 -0.061 -3.900) 11.219 22.354 ( 1.621 2.911 4.340) 5.472 22.470 ( 4.424 -0.994 -1.672) 4.833 23.533 ( 14.516 1.959 14.626) 20.700 24.410 ( 21.956 8.320 -20.869) 31.413 25.176 ( 3.302 3.079 0.899) 4.603 25.310 ( 6.646 -3.901 -3.530) 8.476 26.060 ( -1.325 -0.999 0.975) 1.925 26.117 ( 1.121 -1.012 -1.357) 2.030 26.523 ( -9.690 -0.323 3.419) 10.281 26.664 ( -8.710 0.169 0.188) 8.713 27.345 ( -7.727 -2.387 1.577) 8.240 27.608 ( -0.393 -0.838 -7.058) 7.119 30.151 ( -2.685 0.327 1.634) 3.160 30.170 ( -1.187 0.242 1.458) 1.895 38.499 ( -16.037 -0.195 4.936) 16.781 38.816 ( -25.644 -1.182 -9.197) 27.269 40.461 ( 7.237 -0.807 23.346) 24.456 41.478 ( 14.307 0.843 -21.526) 25.860 ======================= Grid point 203 (72/100) ======================= q-point: (-0.44 0.33 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 244 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.651 ( -17.271 18.368 5.266) 25.757 3.343 ( -5.489 -14.666 -19.077) 24.681 3.644 ( -24.440 24.790 28.326) 44.880 4.388 ( -15.745 -16.228 17.003) 28.291 4.463 ( -15.291 1.414 17.038) 22.937 4.953 ( 4.935 -0.721 3.928) 6.349 5.193 ( -11.804 3.946 -10.442) 16.246 5.327 ( -2.110 2.735 -17.698) 18.032 5.524 ( -2.244 12.746 0.639) 12.958 5.720 ( 0.402 -0.174 5.641) 5.658 6.287 ( -20.460 6.411 6.013) 22.268 6.598 ( -20.292 -8.761 -1.805) 22.176 6.784 ( 0.057 11.086 2.331) 11.328 6.974 ( 2.891 -1.843 4.346) 5.535 7.296 ( 13.557 4.467 4.005) 14.825 7.514 ( 8.422 -4.358 2.482) 9.802 7.628 ( -0.611 0.346 -1.222) 1.410 7.904 ( -0.451 3.416 -12.040) 12.524 7.998 ( -3.545 1.911 -19.159) 19.578 8.298 ( -10.850 4.361 -7.367) 13.821 8.416 ( 10.567 -4.923 5.838) 13.038 8.608 ( -6.072 -9.872 -5.395) 12.784 8.750 ( -5.282 -6.997 -2.378) 9.084 9.054 ( -2.299 1.690 2.180) 3.591 9.351 ( -10.495 3.188 4.862) 11.997 9.520 ( -9.755 8.806 -2.091) 13.307 9.821 ( 5.668 -3.529 6.442) 9.278 9.952 ( -8.751 1.643 4.320) 9.897 10.129 ( 2.412 -14.913 -1.172) 15.153 10.270 ( -2.388 -0.706 3.500) 4.295 10.422 ( -7.933 -7.555 -5.076) 12.074 10.646 ( -0.431 -0.023 -1.763) 1.815 10.886 ( -12.247 -2.796 1.175) 12.617 11.143 ( -18.661 -2.466 -2.057) 18.936 11.530 ( -0.556 -1.974 7.322) 7.604 11.833 ( 3.270 12.498 -9.066) 15.782 12.174 ( 7.550 -5.869 7.249) 12.000 12.362 ( 8.115 -10.634 6.094) 14.699 12.839 ( -8.995 -0.975 -3.739) 9.790 13.122 ( 2.581 2.115 1.338) 3.595 13.340 ( -5.673 2.028 -7.882) 9.921 13.520 ( -4.580 -10.538 -6.870) 13.388 13.857 ( -15.381 2.225 -4.356) 16.140 14.069 ( -11.834 -7.790 -10.505) 17.637 14.569 ( 28.317 -0.938 8.362) 29.541 14.832 ( 13.440 2.752 -1.936) 13.855 15.068 ( 11.746 4.180 7.294) 14.444 15.213 ( 6.074 2.026 6.064) 8.819 15.359 ( 1.372 -1.247 -1.845) 2.615 15.567 ( 9.679 1.516 -7.793) 12.518 16.371 ( 11.820 3.694 11.252) 16.733 16.814 ( 4.254 6.139 -1.705) 7.661 16.897 ( 4.787 5.421 6.246) 9.556 16.976 ( -3.409 -0.485 2.183) 4.077 17.301 ( 6.488 8.834 1.959) 11.134 17.484 ( 2.013 1.888 -3.615) 4.548 17.643 ( -1.869 -6.157 0.909) 6.499 17.772 ( -11.718 -8.215 -3.856) 14.821 18.192 ( 11.694 -2.679 2.452) 12.245 18.295 ( 18.658 1.435 -1.549) 18.777 18.545 ( -0.164 -1.239 8.706) 8.795 18.883 ( 6.137 0.997 -4.162) 7.482 19.534 ( 2.297 9.233 3.751) 10.227 19.709 ( -1.014 0.438 -1.380) 1.768 19.809 ( -2.825 -0.791 1.400) 3.251 20.008 ( -1.292 -4.931 -4.138) 6.566 20.225 ( -1.088 -3.200 4.714) 5.801 20.405 ( -3.989 -0.830 -1.159) 4.236 20.921 ( 0.074 -4.206 4.799) 6.382 21.244 ( -1.503 -5.641 -5.498) 8.019 21.403 ( -6.073 -0.151 4.129) 7.346 21.539 ( -8.795 -0.538 -1.873) 9.008 22.349 ( 0.817 4.281 5.592) 7.090 22.546 ( 1.932 -2.738 -3.353) 4.740 23.757 ( 10.552 7.781 15.761) 20.501 24.731 ( 18.467 16.865 -22.425) 33.590 25.204 ( 2.449 4.411 0.598) 5.080 25.479 ( 6.850 -3.872 -6.945) 10.495 26.053 ( -0.456 -1.274 1.014) 1.691 26.109 ( -3.581 -1.417 -1.774) 4.239 26.388 ( -3.771 -0.918 -0.090) 3.882 26.463 ( -10.671 0.229 -2.577) 10.980 27.276 ( -2.886 -8.371 8.429) 12.225 27.630 ( 1.452 -1.935 -6.055) 6.520 30.109 ( -1.205 0.773 2.568) 2.940 30.152 ( -0.333 0.860 1.534) 1.790 38.226 ( -10.937 -0.107 1.887) 11.099 38.358 ( -20.230 -1.081 -4.224) 20.695 40.590 ( 4.487 -2.451 26.005) 26.503 41.711 ( 9.650 1.776 -24.786) 26.658 ======================= Grid point 204 (73/100) ======================= q-point: (-0.33 0.33 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.353 ( -0.000 17.088 15.852) 23.309 3.130 ( -0.000 25.065 33.186) 41.588 3.480 ( 0.000 -20.673 -28.568) 35.263 4.203 ( 0.000 -16.156 -6.600) 17.452 4.354 ( -0.000 7.330 28.343) 29.275 5.053 ( -0.000 2.080 14.505) 14.654 5.068 ( -0.000 2.813 -10.844) 11.203 5.271 ( -0.000 33.701 20.886) 39.648 5.320 ( -0.000 1.904 -19.373) 19.466 5.753 ( 0.000 -4.555 4.246) 6.227 6.153 ( 0.000 -3.651 -13.414) 13.902 6.269 ( 0.000 -1.667 10.753) 10.881 6.699 ( -0.000 11.480 -8.280) 14.155 6.985 ( -0.000 2.066 7.254) 7.543 7.497 ( -0.000 0.986 7.974) 8.035 7.554 ( 0.000 -0.897 4.109) 4.206 7.622 ( -0.000 6.616 -5.583) 8.657 7.899 ( -0.000 9.675 -36.359) 37.624 7.944 ( 0.000 -0.827 3.110) 3.218 8.166 ( 0.000 -5.452 -0.774) 5.506 8.539 ( 0.000 -11.800 -7.409) 13.933 8.595 ( 0.000 -1.338 10.118) 10.206 8.834 ( 0.000 -11.555 -7.970) 14.037 8.983 ( -0.000 5.075 9.950) 11.170 9.220 ( 0.000 -0.038 -1.382) 1.383 9.373 ( -0.000 7.228 -10.199) 12.500 9.814 ( -0.000 3.785 7.785) 8.656 9.962 ( 0.000 -7.366 10.819) 13.089 10.247 ( 0.000 -3.723 -7.605) 8.468 10.298 ( 0.000 -16.740 0.177) 16.741 10.446 ( 0.000 -14.043 2.257) 14.223 10.669 ( -0.000 2.163 2.400) 3.231 10.843 ( 0.000 -4.523 -4.257) 6.211 10.848 ( 0.000 -1.548 -1.705) 2.303 11.553 ( 0.000 -2.743 3.149) 4.176 11.789 ( -0.000 11.449 -7.258) 13.556 12.349 ( 0.000 -8.929 7.787) 11.848 12.434 ( 0.000 -2.129 16.511) 16.648 12.833 ( 0.000 -11.054 -9.099) 14.317 13.173 ( -0.000 1.038 3.837) 3.975 13.217 ( -0.000 3.299 -10.680) 11.178 13.591 ( 0.000 -11.634 -7.950) 14.091 13.647 ( -0.000 1.634 -1.164) 2.006 13.996 ( 0.000 -7.113 -12.363) 14.263 14.891 ( -0.000 7.929 3.998) 8.879 14.969 ( -0.000 0.373 11.519) 11.525 15.052 ( -0.000 4.720 -3.217) 5.712 15.250 ( -0.000 1.426 9.228) 9.337 15.420 ( 0.000 -5.737 -4.160) 7.086 15.660 ( -0.000 5.629 -10.688) 12.079 16.498 ( -0.000 7.657 11.611) 13.909 16.795 ( 0.000 -0.994 3.948) 4.071 16.881 ( -0.000 12.949 -0.722) 12.969 16.891 ( 0.000 -4.139 0.117) 4.141 17.450 ( 0.000 -0.783 1.014) 1.281 17.517 ( 0.000 -0.599 -0.762) 0.969 17.534 ( -0.000 0.077 3.331) 3.332 17.703 ( 0.000 -2.901 -2.270) 3.684 18.337 ( -0.000 0.814 4.174) 4.252 18.511 ( -0.000 1.548 -3.136) 3.497 18.531 ( 0.000 -3.979 10.589) 11.312 18.933 ( -0.000 0.712 -6.334) 6.374 19.523 ( -0.000 7.647 2.824) 8.152 19.693 ( 0.000 -3.032 5.348) 6.148 19.774 ( -0.000 1.920 -4.137) 4.561 19.986 ( -0.000 0.272 -7.009) 7.014 20.231 ( 0.000 -4.370 5.652) 7.144 20.380 ( 0.000 -1.296 -0.923) 1.591 20.980 ( 0.000 -8.445 7.452) 11.262 21.301 ( 0.000 -10.502 -4.211) 11.315 21.321 ( -0.000 1.583 3.537) 3.875 21.442 ( 0.000 -0.193 -1.798) 1.808 22.326 ( -0.000 4.348 6.099) 7.490 22.586 ( 0.000 -2.650 -5.115) 5.761 23.786 ( -0.000 12.463 14.908) 19.431 24.783 ( -0.000 23.490 -26.248) 35.224 25.198 ( -0.000 4.592 1.376) 4.794 25.585 ( 0.000 -2.254 -9.834) 10.089 26.045 ( 0.000 -0.003 0.156) 0.156 26.055 ( 0.000 -0.020 -0.251) 0.252 26.340 ( 0.000 -1.959 -0.317) 1.985 26.373 ( 0.000 -1.005 -1.291) 1.636 27.339 ( 0.000 -13.477 9.426) 16.446 27.671 ( 0.000 -3.435 -4.884) 5.970 30.090 ( -0.000 1.226 2.691) 2.957 30.141 ( -0.000 1.386 1.284) 1.889 38.113 ( -0.000 0.062 0.483) 0.487 38.142 ( -0.000 0.096 -0.726) 0.733 40.662 ( 0.000 -4.512 26.591) 26.971 41.793 ( -0.000 2.865 -25.930) 26.088 ======================= Grid point 211 (74/100) ======================= q-point: (-0.56 0.44 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.841 ( -16.360 -0.000 -4.317) 16.920 3.178 ( -9.221 -0.000 -13.036) 15.967 4.017 ( -11.143 -0.000 20.603) 23.423 4.047 ( -36.641 -0.000 21.651) 42.559 4.518 ( -8.503 -0.000 25.041) 26.445 4.939 ( 6.593 0.000 2.745) 7.141 5.226 ( -12.859 -0.000 -11.478) 17.236 5.339 ( -1.351 -0.000 -19.631) 19.677 5.650 ( 5.134 0.000 -8.281) 9.743 5.695 ( -1.656 -0.000 6.669) 6.871 6.378 ( -23.567 -0.000 9.227) 25.309 6.478 ( -21.622 -0.000 -2.398) 21.755 6.924 ( 5.742 0.000 0.842) 5.804 6.925 ( 5.661 0.000 9.780) 11.300 7.362 ( 8.535 0.000 4.751) 9.768 7.462 ( 14.418 0.000 -0.099) 14.418 7.632 ( -3.917 -0.000 1.988) 4.393 7.959 ( 2.760 0.000 -23.228) 23.391 7.973 ( -2.061 -0.000 -9.673) 9.890 8.360 ( -12.748 -0.000 1.177) 12.802 8.365 ( 1.041 0.000 11.511) 11.558 8.497 ( -4.163 -0.000 -19.178) 19.625 8.709 ( -2.666 -0.000 -2.556) 3.694 9.063 ( -0.826 -0.000 1.885) 2.058 9.379 ( -14.885 -0.000 8.638) 17.209 9.606 ( -8.824 -0.000 -3.714) 9.573 9.809 ( 1.954 0.000 6.419) 6.710 9.932 ( 6.431 0.000 -1.680) 6.647 9.995 ( -9.315 -0.000 4.492) 10.342 10.304 ( -2.829 -0.000 5.958) 6.595 10.337 ( -11.725 -0.000 -10.629) 15.825 10.649 ( 1.936 0.000 -2.226) 2.950 10.869 ( -13.023 -0.000 2.604) 13.281 11.123 ( -17.670 -0.000 -3.072) 17.935 11.519 ( 0.974 0.000 13.777) 13.811 11.936 ( 0.195 0.000 -9.013) 9.015 12.181 ( 15.320 0.000 9.679) 18.121 12.218 ( 5.172 0.000 -2.411) 5.707 12.837 ( -14.099 -0.000 -1.517) 14.180 13.143 ( 4.880 0.000 -3.908) 6.252 13.368 ( -9.145 -0.000 -2.400) 9.455 13.406 ( -2.776 -0.000 -5.014) 5.731 13.906 ( -14.016 -0.000 -10.911) 17.763 13.983 ( -12.159 -0.000 -8.356) 14.754 14.564 ( 30.306 0.000 8.831) 31.567 14.854 ( 13.748 0.000 -3.098) 14.093 15.094 ( 13.966 0.000 9.661) 16.982 15.248 ( 1.018 0.000 6.520) 6.599 15.339 ( 3.154 0.000 -4.043) 5.128 15.575 ( 10.401 0.000 -6.744) 12.396 16.401 ( 12.932 0.000 10.908) 16.918 16.861 ( 1.261 0.000 -1.574) 2.017 16.934 ( -4.460 -0.000 7.120) 8.402 16.976 ( 5.486 0.000 4.794) 7.286 17.413 ( 4.672 0.000 -2.733) 5.412 17.462 ( 4.902 0.000 -0.015) 4.902 17.589 ( -5.515 -0.000 -1.253) 5.656 17.705 ( -10.615 -0.000 -3.856) 11.293 18.171 ( 13.236 0.000 2.646) 13.498 18.308 ( 19.705 0.000 -2.872) 19.913 18.537 ( -1.050 -0.000 9.796) 9.852 18.893 ( 6.822 0.000 -4.621) 8.240 19.629 ( 1.352 0.000 3.978) 4.202 19.695 ( 0.495 0.000 2.103) 2.161 19.805 ( -5.487 -0.000 0.549) 5.515 19.966 ( 3.000 0.000 -5.082) 5.902 20.200 ( -0.884 -0.000 4.665) 4.748 20.396 ( -4.867 -0.000 -1.010) 4.971 20.891 ( -0.978 -0.000 2.770) 2.937 21.196 ( -2.019 -0.000 -7.367) 7.639 21.405 ( -5.839 -0.000 4.689) 7.489 21.535 ( -8.748 -0.000 -1.843) 8.940 22.389 ( 0.708 0.000 4.334) 4.391 22.516 ( 1.304 0.000 -1.682) 2.128 23.817 ( 11.697 0.000 17.712) 21.226 24.858 ( 17.869 0.000 -19.329) 26.323 25.251 ( 2.981 0.000 -4.689) 5.557 25.437 ( 7.378 0.000 -4.811) 8.808 26.042 ( 0.117 0.000 1.108) 1.114 26.097 ( -3.149 -0.000 -1.596) 3.530 26.382 ( -3.742 -0.000 -0.828) 3.833 26.465 ( -11.162 -0.000 -3.234) 11.621 27.211 ( -4.101 -0.000 9.612) 10.451 27.616 ( 1.234 0.000 -6.852) 6.962 30.114 ( -1.130 -0.000 2.738) 2.962 30.158 ( -0.301 -0.000 1.747) 1.772 38.225 ( -10.833 -0.000 1.839) 10.988 38.350 ( -19.556 -0.000 -3.829) 19.928 40.573 ( 4.280 0.000 26.329) 26.675 41.723 ( 9.586 0.000 -25.261) 27.019 ======================= Grid point 213 (75/100) ======================= q-point: (-0.44 0.44 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.619 ( -0.000 15.288 -1.112) 15.328 3.185 ( 0.000 -16.004 -18.409) 24.393 3.504 ( -0.000 23.678 22.423) 32.610 3.918 ( 0.000 -20.687 7.591) 22.036 4.447 ( -0.000 3.924 28.309) 28.580 5.035 ( 0.000 -1.508 7.643) 7.791 5.105 ( -0.000 1.689 -11.408) 11.533 5.336 ( -0.000 0.372 -20.205) 20.208 5.713 ( 0.000 -1.171 2.805) 3.039 5.728 ( -0.000 23.570 12.079) 26.485 6.110 ( 0.000 -1.695 -14.940) 15.035 6.142 ( 0.000 -12.598 12.747) 17.922 6.896 ( -0.000 12.105 4.287) 12.841 6.998 ( 0.000 -1.731 8.997) 9.162 7.507 ( -0.000 0.410 6.995) 7.007 7.543 ( 0.000 -0.583 3.417) 3.467 7.735 ( -0.000 7.309 -16.120) 17.699 7.937 ( 0.000 -0.127 3.651) 3.653 8.037 ( -0.000 8.476 -20.567) 22.245 8.107 ( 0.000 -2.195 -0.515) 2.255 8.279 ( 0.000 -18.759 -6.593) 19.884 8.564 ( 0.000 -2.094 -8.196) 8.459 8.742 ( 0.000 -1.585 3.627) 3.958 9.051 ( -0.000 3.292 10.742) 11.235 9.200 ( 0.000 -1.692 -0.269) 1.714 9.490 ( -0.000 6.788 -9.330) 11.538 9.869 ( -0.000 2.653 5.207) 5.844 9.878 ( 0.000 -4.699 7.823) 9.126 10.061 ( 0.000 -10.318 -2.485) 10.613 10.198 ( 0.000 -2.226 -8.867) 9.142 10.302 ( 0.000 -4.863 6.511) 8.127 10.710 ( -0.000 3.550 0.062) 3.550 10.773 ( 0.000 -4.648 -2.190) 5.138 10.863 ( -0.000 1.279 -4.469) 4.648 11.537 ( -0.000 0.210 13.431) 13.433 11.929 ( -0.000 4.319 -5.850) 7.271 12.278 ( -0.000 1.023 -1.435) 1.762 12.417 ( 0.000 -0.400 20.420) 20.423 12.660 ( 0.000 -9.943 -12.156) 15.705 13.220 ( -0.000 4.378 1.247) 4.552 13.230 ( 0.000 -0.299 -4.138) 4.149 13.420 ( 0.000 -9.291 -5.981) 11.049 13.719 ( -0.000 6.190 -11.731) 13.264 13.885 ( 0.000 -6.891 -10.907) 12.901 14.980 ( -0.000 3.523 2.478) 4.308 14.996 ( -0.000 2.190 13.308) 13.487 15.096 ( -0.000 1.325 -2.127) 2.506 15.243 ( 0.000 -1.819 8.797) 8.983 15.377 ( 0.000 -0.513 -6.662) 6.682 15.708 ( -0.000 1.322 -6.269) 6.407 16.592 ( -0.000 3.937 10.724) 11.424 16.791 ( -0.000 0.408 4.326) 4.345 16.838 ( 0.000 -2.507 1.730) 3.046 17.024 ( -0.000 5.046 2.288) 5.540 17.441 ( 0.000 -0.332 0.659) 0.738 17.511 ( 0.000 -0.204 -1.328) 1.344 17.533 ( -0.000 2.153 0.787) 2.292 17.640 ( 0.000 -5.352 -3.415) 6.349 18.346 ( -0.000 0.343 4.542) 4.555 18.494 ( 0.000 -1.190 10.639) 10.706 18.527 ( -0.000 0.580 -3.063) 3.117 18.956 ( -0.000 1.282 -8.817) 8.910 19.657 ( -0.000 9.362 3.437) 9.973 19.661 ( 0.000 -1.131 5.601) 5.714 19.764 ( 0.000 -4.024 0.587) 4.066 19.988 ( -0.000 0.041 -8.239) 8.239 20.193 ( 0.000 -0.729 4.472) 4.531 20.349 ( 0.000 -2.085 -0.383) 2.120 20.894 ( 0.000 -2.936 3.846) 4.838 21.189 ( 0.000 -4.060 -7.042) 8.129 21.338 ( -0.000 0.685 3.384) 3.453 21.439 ( 0.000 -0.142 -1.180) 1.189 22.384 ( -0.000 2.893 4.549) 5.391 22.538 ( 0.000 -2.775 -2.335) 3.626 23.921 ( -0.000 4.922 18.388) 19.035 25.014 ( -0.000 7.448 -14.500) 16.301 25.273 ( -0.000 4.601 -10.620) 11.574 25.539 ( 0.000 -3.171 -7.390) 8.041 26.045 ( 0.000 -0.001 0.152) 0.152 26.055 ( 0.000 -0.008 -0.247) 0.247 26.321 ( 0.000 -0.234 -1.829) 1.844 26.360 ( 0.000 -0.898 -3.906) 4.008 27.194 ( 0.000 -5.323 12.244) 13.351 27.637 ( 0.000 -1.161 -6.693) 6.793 30.103 ( -0.000 0.458 3.047) 3.081 30.154 ( -0.000 0.413 1.778) 1.825 38.114 ( -0.000 0.024 0.489) 0.489 38.143 ( -0.000 0.038 -0.736) 0.737 40.620 ( 0.000 -1.294 27.375) 27.405 41.819 ( -0.000 0.758 -26.850) 26.861 ======================= Grid point 255 (76/100) ======================= q-point: ( 0.00 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 50 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.235 ( 0.000 0.000 -35.247) 35.247 3.235 ( 0.000 0.000 35.247) 35.247 3.566 ( 0.000 0.000 -47.822) 47.822 3.566 ( 0.000 0.000 47.822) 47.822 4.484 ( 0.000 0.000 -0.718) 0.718 4.484 ( 0.000 0.000 0.718) 0.718 4.983 ( 0.000 0.000 -3.914) 3.914 4.983 ( 0.000 0.000 3.914) 3.914 5.700 ( 0.000 0.000 -43.622) 43.622 5.700 ( 0.000 0.000 43.622) 43.622 6.119 ( 0.000 0.000 -3.326) 3.326 6.119 ( 0.000 0.000 3.326) 3.326 6.333 ( 0.000 0.000 -6.024) 6.024 6.333 ( 0.000 0.000 6.024) 6.024 7.511 ( 0.000 0.000 -10.253) 10.253 7.511 ( 0.000 0.000 10.253) 10.253 7.600 ( 0.000 0.000 -5.682) 5.682 7.600 ( 0.000 0.000 5.682) 5.682 8.185 ( 0.000 0.000 -12.826) 12.826 8.185 ( 0.000 0.000 12.826) 12.826 8.736 ( 0.000 0.000 -8.150) 8.150 8.736 ( 0.000 0.000 8.150) 8.150 8.976 ( 0.000 0.000 -1.404) 1.404 8.976 ( 0.000 0.000 1.404) 1.404 9.005 ( 0.000 0.000 -5.185) 5.185 9.005 ( 0.000 0.000 5.185) 5.185 10.132 ( 0.000 0.000 -14.603) 14.603 10.132 ( 0.000 0.000 14.603) 14.603 10.226 ( 0.000 0.000 -10.111) 10.111 10.226 ( 0.000 0.000 10.111) 10.111 10.781 ( 0.000 0.000 -6.306) 6.306 10.781 ( 0.000 0.000 6.306) 6.306 11.239 ( 0.000 0.000 -10.437) 10.437 11.239 ( 0.000 0.000 10.437) 10.437 11.810 ( 0.000 0.000 -0.756) 0.756 11.810 ( 0.000 0.000 0.756) 0.756 12.686 ( 0.000 0.000 -4.040) 4.040 12.686 ( 0.000 0.000 4.040) 4.040 12.940 ( 0.000 0.000 -3.223) 3.223 12.940 ( 0.000 0.000 3.223) 3.223 13.390 ( 0.000 0.000 -10.613) 10.613 13.390 ( 0.000 0.000 10.613) 10.613 14.022 ( 0.000 0.000 -1.492) 1.492 14.022 ( 0.000 0.000 1.492) 1.492 14.700 ( 0.000 0.000 -1.322) 1.322 14.700 ( 0.000 0.000 1.322) 1.322 14.910 ( 0.000 0.000 -3.683) 3.683 14.910 ( 0.000 0.000 3.683) 3.683 15.794 ( 0.000 0.000 -3.571) 3.571 15.794 ( 0.000 0.000 3.571) 3.571 16.451 ( 0.000 0.000 -9.741) 9.741 16.451 ( 0.000 0.000 9.741) 9.741 16.919 ( 0.000 0.000 -3.706) 3.706 16.919 ( 0.000 0.000 3.706) 3.706 17.316 ( 0.000 0.000 -3.006) 3.006 17.316 ( 0.000 0.000 3.006) 3.006 17.531 ( 0.000 0.000 -1.653) 1.653 17.531 ( 0.000 0.000 1.653) 1.653 18.377 ( 0.000 0.000 -3.261) 3.261 18.377 ( 0.000 0.000 3.261) 3.261 19.106 ( 0.000 0.000 -5.089) 5.089 19.106 ( 0.000 0.000 5.089) 5.089 19.469 ( 0.000 0.000 -4.820) 4.820 19.469 ( 0.000 0.000 4.820) 4.820 19.900 ( 0.000 0.000 -2.929) 2.929 19.900 ( 0.000 0.000 2.929) 2.929 20.465 ( 0.000 0.000 -6.955) 6.955 20.465 ( 0.000 0.000 6.955) 6.955 21.356 ( 0.000 0.000 -4.276) 4.276 21.356 ( 0.000 0.000 4.276) 4.276 21.815 ( 0.000 0.000 -14.718) 14.718 21.815 ( 0.000 0.000 14.718) 14.718 22.106 ( 0.000 0.000 -3.968) 3.968 22.106 ( 0.000 0.000 3.968) 3.968 23.422 ( 0.000 0.000 -6.020) 6.020 23.422 ( 0.000 0.000 6.020) 6.020 25.329 ( 0.000 0.000 -12.120) 12.120 25.329 ( 0.000 0.000 12.120) 12.120 26.050 ( 0.000 0.000 -0.251) 0.251 26.050 ( 0.000 0.000 0.251) 0.251 26.422 ( 0.000 0.000 -3.695) 3.695 26.422 ( 0.000 0.000 3.695) 3.695 27.847 ( 0.000 0.000 -5.196) 5.196 27.847 ( 0.000 0.000 5.196) 5.196 30.056 ( 0.000 0.000 -0.299) 0.299 30.056 ( 0.000 0.000 0.299) 0.299 38.123 ( 0.000 0.000 -0.666) 0.666 38.123 ( 0.000 0.000 0.666) 0.666 41.268 ( 0.000 0.000 -10.920) 10.920 41.268 ( 0.000 0.000 10.920) 10.920 ======================= Grid point 257 (77/100) ======================= q-point: ( 0.11 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.226 ( 3.331 10.425 -33.559) 35.299 3.226 ( 3.331 10.425 33.559) 35.299 3.601 ( 3.331 -12.147 -37.306) 39.375 3.601 ( 3.331 -12.147 37.306) 39.375 4.798 ( 19.533 -1.038 -4.923) 20.171 4.798 ( 19.533 -1.038 4.923) 20.171 4.937 ( 0.721 -1.684 -2.045) 2.745 4.937 ( 0.721 -1.684 2.045) 2.745 5.765 ( 11.282 -0.567 -24.742) 27.199 5.765 ( 11.282 -0.567 24.742) 27.199 6.270 ( 7.247 -3.472 -24.395) 25.684 6.270 ( 7.247 -3.472 24.395) 25.684 6.610 ( 26.465 -1.437 -2.086) 26.586 6.610 ( 26.465 -1.437 2.086) 26.586 7.464 ( -1.782 4.157 -4.382) 6.298 7.464 ( -1.782 4.157 4.382) 6.298 7.686 ( 5.938 -1.610 -3.235) 6.951 7.686 ( 5.938 -1.610 3.235) 6.951 8.094 ( -6.987 3.093 -5.860) 9.629 8.094 ( -6.987 3.093 5.860) 9.629 8.613 ( -7.376 -1.412 -7.670) 10.735 8.613 ( -7.376 -1.412 7.670) 10.735 8.999 ( 3.800 -1.208 -1.850) 4.395 8.999 ( 3.800 -1.208 1.850) 4.395 9.215 ( 11.727 -1.359 -1.712) 11.929 9.215 ( 11.727 -1.359 1.712) 11.929 10.025 ( -6.171 1.371 -13.915) 15.284 10.025 ( -6.171 1.371 13.915) 15.284 10.199 ( -4.844 -1.152 -4.126) 6.466 10.199 ( -4.844 -1.152 4.126) 6.466 10.889 ( 12.915 1.533 -7.551) 15.039 10.889 ( 12.915 1.533 7.551) 15.039 11.246 ( 0.053 2.633 -4.737) 5.420 11.246 ( 0.053 2.633 4.737) 5.420 11.794 ( 2.258 6.310 -4.605) 8.131 11.794 ( 2.258 6.310 4.605) 8.131 12.658 ( -6.124 2.807 -2.687) 7.253 12.658 ( -6.124 2.807 2.687) 7.253 12.924 ( 2.069 1.258 -7.963) 8.323 12.924 ( 2.069 1.258 7.963) 8.323 13.330 ( -2.685 -3.865 -10.509) 11.515 13.330 ( -2.685 -3.865 10.509) 11.515 14.197 ( 14.846 3.757 -2.971) 15.600 14.197 ( 14.846 3.757 2.971) 15.600 14.665 ( -5.547 -2.276 -2.725) 6.585 14.665 ( -5.547 -2.276 2.725) 6.585 14.891 ( -4.562 -5.814 -3.534) 8.192 14.891 ( -4.562 -5.814 3.534) 8.192 15.625 ( -11.597 7.490 -3.026) 14.134 15.625 ( -11.597 7.490 3.026) 14.134 16.391 ( -7.670 -1.650 -6.400) 10.125 16.391 ( -7.670 -1.650 6.400) 10.125 16.673 ( -25.225 -5.311 -2.417) 25.891 16.673 ( -25.225 -5.311 2.417) 25.891 17.161 ( 2.561 -2.898 -3.863) 5.466 17.161 ( 2.561 -2.898 3.863) 5.466 17.928 ( 14.905 1.551 -6.712) 16.420 17.928 ( 14.905 1.551 6.712) 16.420 18.256 ( -8.509 -1.503 -1.827) 8.832 18.256 ( -8.509 -1.503 1.827) 8.832 19.013 ( -6.863 7.260 -4.108) 10.802 19.013 ( -6.863 7.260 4.108) 10.802 19.318 ( -6.825 -4.180 -2.963) 8.534 19.318 ( -6.825 -4.180 2.963) 8.534 20.093 ( 10.802 1.707 -1.761) 11.077 20.093 ( 10.802 1.707 1.761) 11.077 20.460 ( 0.010 2.155 -8.197) 8.476 20.460 ( 0.010 2.155 8.197) 8.476 21.357 ( 1.876 0.598 -3.999) 4.458 21.357 ( 1.876 0.598 3.999) 4.458 21.766 ( 0.086 12.106 -12.432) 17.353 21.766 ( 0.086 12.106 12.432) 17.353 22.152 ( -1.249 -12.358 -7.579) 14.551 22.152 ( -1.249 -12.358 7.579) 14.551 23.404 ( -4.282 -7.116 -5.272) 9.837 23.404 ( -4.282 -7.116 5.272) 9.837 25.307 ( -2.258 -0.239 -11.249) 11.476 25.307 ( -2.258 -0.239 11.249) 11.476 26.105 ( 4.218 0.037 -1.003) 4.336 26.105 ( 4.218 0.037 1.003) 4.336 26.472 ( 5.698 0.422 -2.691) 6.316 26.472 ( 5.698 0.422 2.691) 6.316 27.768 ( -5.847 3.148 -3.719) 7.611 27.768 ( -5.847 3.148 3.719) 7.611 30.075 ( 1.586 -0.938 -0.296) 1.867 30.075 ( 1.586 -0.938 0.296) 1.867 38.302 ( 16.881 0.253 -4.348) 17.434 38.302 ( 16.881 0.253 4.348) 17.434 41.185 ( -7.886 0.338 -12.977) 15.189 41.185 ( -7.886 0.338 12.977) 15.189 ======================= Grid point 259 (78/100) ======================= q-point: ( 0.22 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.323 ( 15.348 7.368 -25.428) 30.601 3.323 ( 15.348 7.368 25.428) 30.601 3.841 ( 7.368 -17.044 -27.490) 33.174 3.841 ( 7.368 -17.044 27.490) 33.174 4.805 ( -3.626 -3.788 -6.022) 7.985 4.805 ( -3.626 -3.788 6.022) 7.985 5.312 ( 18.942 -1.841 -3.129) 19.286 5.312 ( 18.942 -1.841 3.129) 19.286 6.115 ( 18.555 6.389 -8.583) 21.419 6.115 ( 18.555 6.389 8.583) 21.419 6.491 ( 14.361 -5.398 -22.435) 27.179 6.491 ( 14.361 -5.398 22.435) 27.179 7.095 ( 14.452 -3.973 -7.739) 16.868 7.095 ( 14.452 -3.973 7.739) 16.868 7.403 ( 3.729 12.113 -8.239) 15.116 7.403 ( 3.729 12.113 8.239) 15.116 7.745 ( -2.095 -2.361 -6.021) 6.798 7.745 ( -2.095 -2.361 6.021) 6.798 8.008 ( 2.611 3.700 -2.956) 5.408 8.008 ( 2.611 3.700 2.956) 5.408 8.558 ( 1.148 2.993 -8.722) 9.292 8.558 ( 1.148 2.993 8.722) 9.292 9.077 ( 3.290 -4.505 -1.855) 5.879 9.077 ( 3.290 -4.505 1.855) 5.879 9.396 ( 4.056 -8.487 -6.733) 11.568 9.396 ( 4.056 -8.487 6.733) 11.568 9.930 ( -0.050 4.675 -13.043) 13.856 9.930 ( -0.050 4.675 13.043) 13.856 10.215 ( 6.437 -6.224 -10.599) 13.875 10.215 ( 6.437 -6.224 10.599) 13.875 11.070 ( -0.767 5.579 -5.635) 7.967 11.070 ( -0.767 5.579 5.635) 7.967 11.320 ( 16.428 3.251 -10.154) 19.584 11.320 ( 16.428 3.251 10.154) 19.584 11.860 ( 10.991 6.441 -6.437) 14.274 11.860 ( 10.991 6.441 6.437) 14.274 12.430 ( -10.104 5.548 -2.317) 11.757 12.430 ( -10.104 5.548 2.317) 11.757 13.012 ( 4.124 -3.554 -9.495) 10.945 13.012 ( 4.124 -3.554 9.495) 10.945 13.389 ( 4.360 -2.647 -11.266) 12.367 13.389 ( 4.360 -2.647 11.266) 12.367 14.364 ( -2.216 4.397 -5.088) 7.081 14.364 ( -2.216 4.397 5.088) 7.081 14.486 ( -12.682 1.013 -6.308) 14.201 14.486 ( -12.682 1.013 6.308) 14.201 14.806 ( -0.923 3.615 -4.420) 5.784 14.806 ( -0.923 3.615 4.420) 5.784 15.390 ( -7.160 1.670 -2.545) 7.780 15.390 ( -7.160 1.670 2.545) 7.780 16.070 ( -25.175 -12.529 -8.066) 29.254 16.070 ( -25.175 -12.529 8.066) 29.254 16.428 ( -5.023 -4.821 -8.864) 11.271 16.428 ( -5.023 -4.821 8.864) 11.271 17.258 ( 2.748 -1.968 -6.220) 7.079 17.258 ( 2.748 -1.968 6.220) 7.079 17.764 ( -20.631 1.410 -0.517) 20.686 17.764 ( -20.631 1.410 0.517) 20.686 18.226 ( -4.590 0.610 -4.047) 6.149 18.226 ( -4.590 0.610 4.047) 6.149 18.888 ( 2.448 9.442 -4.705) 10.829 18.888 ( 2.448 9.442 4.705) 10.829 19.338 ( 4.399 -6.496 -6.320) 10.075 19.338 ( 4.399 -6.496 6.320) 10.075 20.165 ( -0.725 3.908 -4.693) 6.150 20.165 ( -0.725 3.908 4.693) 6.150 20.416 ( -3.299 1.213 -7.576) 8.352 20.416 ( -3.299 1.213 7.576) 8.352 21.436 ( 6.265 6.102 -5.739) 10.460 21.436 ( 6.265 6.102 5.739) 10.460 21.677 ( -0.885 4.140 -7.559) 8.664 21.677 ( -0.885 4.140 7.559) 8.664 22.200 ( -2.392 -9.501 -7.870) 12.567 22.200 ( -2.392 -9.501 7.870) 12.567 23.376 ( -4.399 -9.019 -4.554) 11.019 23.376 ( -4.399 -9.019 4.554) 11.019 25.249 ( -3.669 0.064 -8.965) 9.687 25.249 ( -3.669 0.064 8.965) 9.687 26.156 ( 0.775 0.665 -0.819) 1.309 26.156 ( 0.775 0.665 0.819) 1.309 26.636 ( 10.559 0.508 -1.215) 10.640 26.636 ( 10.559 0.508 1.215) 10.640 27.630 ( -4.553 3.530 -2.594) 6.318 27.630 ( -4.553 3.530 2.594) 6.318 30.129 ( 2.960 -1.049 -0.342) 3.159 30.129 ( 2.960 -1.049 0.342) 3.159 38.692 ( 21.661 1.154 -10.012) 23.891 38.692 ( 21.661 1.154 10.012) 23.891 40.984 ( -11.817 0.114 -16.055) 19.936 40.984 ( -11.817 0.114 16.055) 19.936 ======================= Grid point 261 (79/100) ======================= q-point: ( 0.33 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.678 ( 19.743 -0.895 -9.010) 21.721 3.678 ( 19.743 -0.895 9.010) 21.721 4.083 ( 8.638 -9.464 -19.343) 23.202 4.083 ( 8.638 -9.464 19.343) 23.202 4.840 ( 2.164 -8.837 -6.320) 11.078 4.840 ( 2.164 -8.837 6.320) 11.078 5.617 ( 10.491 0.547 -6.697) 12.459 5.617 ( 10.491 0.547 6.697) 12.459 6.228 ( -1.408 -1.645 -3.865) 4.430 6.228 ( -1.408 -1.645 3.865) 4.430 6.686 ( -0.638 6.651 -8.102) 10.501 6.686 ( -0.638 6.651 8.102) 10.501 7.151 ( 3.696 9.277 -11.471) 15.209 7.151 ( 3.696 9.277 11.471) 15.209 7.550 ( 2.855 -0.023 -9.579) 9.995 7.550 ( 2.855 -0.023 9.579) 9.995 7.776 ( 6.485 2.526 -8.545) 11.021 7.776 ( 6.485 2.526 8.545) 11.021 8.071 ( 9.110 -2.176 -3.362) 9.951 8.071 ( 9.110 -2.176 3.362) 9.951 8.487 ( -2.690 9.908 -11.745) 15.600 8.487 ( -2.690 9.908 11.745) 15.600 9.214 ( 2.006 -7.499 -5.311) 9.406 9.214 ( 2.006 -7.499 5.311) 9.406 9.625 ( 10.639 -10.756 -8.590) 17.397 9.625 ( 10.639 -10.756 8.590) 17.397 10.039 ( 15.936 1.077 -13.090) 20.651 10.039 ( 15.936 1.077 13.090) 20.651 10.440 ( 7.431 -8.028 -10.153) 14.925 10.440 ( 7.431 -8.028 10.153) 14.925 11.047 ( 6.815 -2.004 -7.977) 10.682 11.047 ( 6.815 -2.004 7.977) 10.682 11.521 ( 9.155 16.273 -11.335) 21.843 11.521 ( 9.155 16.273 11.335) 21.843 12.081 ( 4.508 2.833 -6.334) 8.274 12.081 ( 4.508 2.833 6.334) 8.274 12.336 ( 7.965 -1.971 -2.646) 8.622 12.336 ( 7.965 -1.971 2.646) 8.622 13.079 ( -0.889 -0.320 -9.521) 9.568 13.079 ( -0.889 -0.320 9.521) 9.568 13.464 ( 0.316 -2.830 -11.259) 11.614 13.464 ( 0.316 -2.830 11.259) 11.614 13.957 ( -20.335 15.386 -9.610) 27.250 13.957 ( -20.335 15.386 9.610) 27.250 14.253 ( -12.956 -3.086 -3.896) 13.877 14.253 ( -12.956 -3.086 3.896) 13.877 14.902 ( 8.071 0.999 -5.950) 10.077 14.902 ( 8.071 0.999 5.950) 10.077 15.237 ( -7.161 1.669 -4.444) 8.592 15.237 ( -7.161 1.669 4.444) 8.592 15.849 ( -7.618 -15.613 -5.963) 18.367 15.849 ( -7.618 -15.613 5.963) 18.367 16.423 ( 0.328 -2.392 -10.973) 11.235 16.423 ( 0.328 -2.392 10.973) 11.235 17.176 ( -18.462 2.293 -3.711) 18.971 17.176 ( -18.462 2.293 3.711) 18.971 17.357 ( -12.181 -1.324 -0.939) 12.289 17.357 ( -12.181 -1.324 0.939) 12.289 18.094 ( -5.615 -1.920 -6.427) 8.748 18.094 ( -5.615 -1.920 6.427) 8.748 18.852 ( -0.957 8.435 -7.693) 11.456 18.852 ( -0.957 8.435 7.693) 11.456 19.559 ( 12.387 -3.059 -10.126) 16.289 19.559 ( 12.387 -3.059 10.126) 16.289 20.072 ( -4.151 3.239 -4.312) 6.806 20.072 ( -4.151 3.239 4.312) 6.806 20.325 ( -5.999 -1.735 -5.551) 8.355 20.325 ( -5.999 -1.735 5.551) 8.355 21.394 ( -4.016 5.932 -8.247) 10.924 21.394 ( -4.016 5.932 8.247) 10.924 21.746 ( 7.817 2.249 -7.517) 11.075 21.746 ( 7.817 2.249 7.517) 11.075 22.205 ( -2.820 -6.305 -6.916) 9.774 22.205 ( -2.820 -6.305 6.916) 9.774 23.371 ( -2.233 -6.844 -6.435) 9.656 23.371 ( -2.233 -6.844 6.435) 9.656 25.173 ( -3.615 0.328 -6.121) 7.116 25.173 ( -3.615 0.328 6.121) 7.116 26.138 ( -1.296 1.130 -0.447) 1.777 26.138 ( -1.296 1.130 0.447) 1.777 26.829 ( 8.762 0.549 -1.338) 8.880 26.829 ( 8.762 0.549 1.338) 8.880 27.558 ( -0.908 1.947 -3.833) 4.394 27.558 ( -0.908 1.947 3.833) 4.394 30.194 ( 2.854 -0.597 -0.755) 3.012 30.194 ( 2.854 -0.597 0.755) 3.012 39.070 ( 17.165 1.558 -13.357) 21.805 39.070 ( 17.165 1.558 13.357) 21.805 40.755 ( -10.955 -0.303 -18.106) 21.164 40.755 ( -10.955 -0.303 18.106) 21.164 ======================= Grid point 263 (80/100) ======================= q-point: ( 0.44 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.906 ( 3.076 -1.054 -9.655) 10.188 3.906 ( 3.076 -1.054 9.655) 10.188 4.421 ( 16.037 -5.455 -11.583) 20.521 4.421 ( 16.037 -5.455 11.583) 20.521 4.952 ( 1.915 -4.971 -4.661) 7.079 4.952 ( 1.915 -4.971 4.661) 7.079 5.584 ( -8.690 4.964 -6.667) 12.025 5.584 ( -8.690 4.964 6.667) 12.025 6.289 ( 5.711 -5.362 -2.951) 8.371 6.289 ( 5.711 -5.362 2.951) 8.371 6.559 ( -3.705 5.026 -4.229) 7.541 6.559 ( -3.705 5.026 4.229) 7.541 7.118 ( -2.248 6.213 -8.292) 10.603 7.118 ( -2.248 6.213 8.292) 10.603 7.497 ( -1.818 -0.124 -12.102) 12.238 7.497 ( -1.818 -0.124 12.102) 12.238 7.813 ( -0.889 -1.300 -6.336) 6.529 7.813 ( -0.889 -1.300 6.336) 6.529 8.253 ( 1.874 4.086 -5.216) 6.885 8.253 ( 1.874 4.086 5.216) 6.885 8.523 ( 10.833 1.138 -4.379) 11.740 8.523 ( 10.833 1.138 4.379) 11.740 9.216 ( -3.993 -2.919 -4.209) 6.494 9.216 ( -3.993 -2.919 4.209) 6.494 9.824 ( 5.161 -2.008 -4.527) 7.152 9.824 ( 5.161 -2.008 4.527) 7.152 10.269 ( 1.175 -0.949 -4.581) 4.824 10.269 ( 1.175 -0.949 4.581) 4.824 10.764 ( 19.157 -10.057 -12.124) 24.802 10.764 ( 19.157 -10.057 12.124) 24.802 11.339 ( 5.844 4.031 -13.286) 15.063 11.339 ( 5.844 4.031 13.286) 15.063 11.524 ( 11.173 0.064 -9.451) 14.634 11.524 ( 11.173 0.064 9.451) 14.634 12.020 ( -6.826 4.212 -7.899) 11.258 12.020 ( -6.826 4.212 7.899) 11.258 12.427 ( -4.094 1.223 -6.816) 8.044 12.427 ( -4.094 1.223 6.816) 8.044 12.943 ( -6.796 4.248 -7.849) 11.218 12.943 ( -6.796 4.248 7.849) 11.218 13.487 ( 0.189 -5.786 -8.385) 10.189 13.487 ( 0.189 -5.786 8.385) 10.189 13.616 ( -4.690 8.543 -5.552) 11.216 13.616 ( -4.690 8.543 5.552) 11.216 14.095 ( -4.530 -2.113 -4.976) 7.053 14.095 ( -4.530 -2.113 4.976) 7.053 15.013 ( 2.096 -2.370 -7.606) 8.238 15.013 ( 2.096 -2.370 7.606) 8.238 15.208 ( 4.515 0.886 -4.503) 6.439 15.208 ( 4.515 0.886 4.503) 6.439 15.883 ( 1.164 -3.368 -5.300) 6.387 15.883 ( 1.164 -3.368 5.300) 6.387 16.372 ( -8.738 -0.646 -6.275) 10.777 16.372 ( -8.738 -0.646 6.275) 10.777 16.793 ( -9.200 0.136 -5.456) 10.697 16.793 ( -9.200 0.136 5.456) 10.697 17.234 ( -3.799 0.196 -1.452) 4.072 17.234 ( -3.799 0.196 1.452) 4.072 18.063 ( -0.518 -2.474 -3.994) 4.727 18.063 ( -0.518 -2.474 3.994) 4.727 18.757 ( -2.293 3.968 -4.778) 6.620 18.757 ( -2.293 3.968 4.778) 6.620 19.767 ( 6.032 0.955 -12.187) 13.632 19.767 ( 6.032 0.955 12.187) 13.632 20.022 ( 1.113 0.439 -4.037) 4.211 20.022 ( 1.113 0.439 4.037) 4.211 20.217 ( -5.721 -2.062 -4.546) 7.593 20.217 ( -5.721 -2.062 4.546) 7.593 21.287 ( -2.756 1.819 -3.444) 4.772 21.287 ( -2.756 1.819 3.444) 4.772 21.855 ( 4.127 2.120 -4.653) 6.570 21.855 ( 4.127 2.120 4.653) 6.570 22.193 ( -1.619 -2.752 -3.953) 5.081 22.193 ( -1.619 -2.752 3.953) 5.081 23.382 ( -0.517 -2.561 -8.723) 9.106 23.382 ( -0.517 -2.561 8.723) 9.106 25.117 ( -1.559 0.198 -3.736) 4.053 25.117 ( -1.559 0.198 3.736) 4.053 26.109 ( -0.713 0.544 -0.815) 1.212 26.109 ( -0.713 0.544 0.815) 1.212 26.946 ( 3.234 0.291 -0.716) 3.325 26.946 ( 3.234 0.291 0.716) 3.325 27.547 ( 0.214 0.491 -5.155) 5.183 27.547 ( 0.214 0.491 5.155) 5.183 30.238 ( 1.162 -0.162 -1.018) 1.553 30.238 ( 1.162 -0.162 1.018) 1.553 39.303 ( 6.862 0.767 -15.285) 16.772 39.303 ( 6.862 0.767 15.285) 16.772 40.595 ( -4.848 -0.260 -19.637) 20.228 40.595 ( -4.848 -0.260 19.637) 20.228 ======================= Grid point 275 (81/100) ======================= q-point: ( 0.11 0.11 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.416 ( 11.461 0.000 -10.874) 15.799 3.416 ( 11.461 0.000 10.874) 15.799 3.675 ( 11.004 0.000 -10.775) 15.401 3.675 ( 11.004 0.000 10.775) 15.401 4.777 ( -4.911 -0.000 -4.613) 6.738 4.777 ( -4.911 -0.000 4.613) 6.738 5.297 ( 19.121 0.000 -0.261) 19.123 5.297 ( 19.121 0.000 0.261) 19.123 6.167 ( 16.241 0.000 -3.759) 16.670 6.167 ( 16.241 0.000 3.759) 16.670 6.444 ( 19.849 0.000 -28.151) 34.445 6.444 ( 19.849 0.000 28.151) 34.445 7.065 ( 15.118 0.000 -5.742) 16.172 7.065 ( 15.118 0.000 5.742) 16.172 7.512 ( 5.280 0.000 -7.296) 9.006 7.512 ( 5.280 0.000 7.296) 9.006 7.704 ( -3.550 -0.000 -2.030) 4.089 7.704 ( -3.550 -0.000 2.030) 4.089 8.050 ( 0.508 0.000 -2.345) 2.400 8.050 ( 0.508 0.000 2.345) 2.400 8.583 ( 7.608 0.000 -4.063) 8.625 8.583 ( 7.608 0.000 4.063) 8.625 9.035 ( 0.272 0.000 -0.654) 0.708 9.035 ( 0.272 0.000 0.654) 0.708 9.326 ( 0.132 0.000 -4.650) 4.652 9.326 ( 0.132 0.000 4.650) 4.652 9.982 ( 1.163 0.000 -6.914) 7.011 9.982 ( 1.163 0.000 6.914) 7.011 10.155 ( 5.171 0.000 -4.778) 7.040 10.155 ( 5.171 0.000 4.778) 7.040 11.112 ( -5.430 -0.000 -0.792) 5.488 11.112 ( -5.430 -0.000 0.792) 5.488 11.338 ( 23.341 0.000 -8.319) 24.779 11.338 ( 23.341 0.000 8.319) 24.779 11.920 ( 6.950 0.000 -5.564) 8.903 11.920 ( 6.950 0.000 5.564) 8.903 12.478 ( -11.548 -0.000 -0.983) 11.590 12.478 ( -11.548 -0.000 0.983) 11.590 12.979 ( 3.805 0.000 -2.902) 4.785 12.979 ( 3.805 0.000 2.902) 4.785 13.365 ( 5.644 0.000 -4.546) 7.247 13.365 ( 5.644 0.000 4.546) 7.247 14.396 ( -2.324 -0.000 -5.866) 6.310 14.396 ( -2.324 -0.000 5.866) 6.310 14.487 ( -10.973 -0.000 -4.967) 12.045 14.487 ( -10.973 -0.000 4.967) 12.045 14.843 ( 3.733 0.000 -1.796) 4.143 14.843 ( 3.733 0.000 1.796) 4.143 15.412 ( -10.046 -0.000 -0.970) 10.093 15.412 ( -10.046 -0.000 0.970) 10.093 15.960 ( -29.599 -0.000 -11.126) 31.620 15.960 ( -29.599 -0.000 11.126) 31.620 16.396 ( -2.416 -0.000 -7.117) 7.516 16.396 ( -2.416 -0.000 7.117) 7.516 17.242 ( 3.787 0.000 -6.094) 7.175 17.242 ( 3.787 0.000 6.094) 7.175 17.776 ( -21.576 -0.000 -0.654) 21.586 17.776 ( -21.576 -0.000 0.654) 21.586 18.227 ( -4.420 -0.000 -0.082) 4.420 18.227 ( -4.420 -0.000 0.082) 4.420 18.974 ( 1.881 0.000 -3.394) 3.880 18.974 ( 1.881 0.000 3.394) 3.880 19.279 ( 5.053 0.000 -2.425) 5.605 19.279 ( 5.053 0.000 2.425) 5.605 20.194 ( -0.801 -0.000 -2.223) 2.363 20.194 ( -0.801 -0.000 2.223) 2.363 20.427 ( -4.759 -0.000 -8.421) 9.673 20.427 ( -4.759 -0.000 8.421) 9.673 21.481 ( 8.397 0.000 -0.704) 8.427 21.481 ( 8.397 0.000 0.704) 8.427 21.726 ( -5.911 -0.000 -7.186) 9.305 21.726 ( -5.911 -0.000 7.186) 9.305 22.108 ( 0.662 0.000 -6.856) 6.888 22.108 ( 0.662 0.000 6.856) 6.888 23.308 ( -2.584 -0.000 -5.482) 6.060 23.308 ( -2.584 -0.000 5.482) 6.060 25.249 ( -3.546 -0.000 -9.165) 9.828 25.249 ( -3.546 -0.000 9.165) 9.828 26.160 ( 0.953 0.000 -0.507) 1.080 26.160 ( 0.953 0.000 0.507) 1.080 26.640 ( 10.494 0.000 -0.631) 10.513 26.640 ( 10.494 0.000 0.631) 10.513 27.657 ( -5.509 -0.000 -2.458) 6.033 27.657 ( -5.509 -0.000 2.458) 6.033 30.120 ( 3.237 0.000 -0.230) 3.245 30.120 ( 3.237 0.000 0.230) 3.245 38.701 ( 21.823 0.000 -10.417) 24.182 38.701 ( 21.823 0.000 10.417) 24.182 40.985 ( -12.010 -0.000 -13.979) 18.429 40.985 ( -12.010 -0.000 13.979) 18.429 ======================= Grid point 277 (82/100) ======================= q-point: ( 0.22 0.11 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.698 ( 17.330 2.310 -8.314) 19.359 3.698 ( 17.330 2.310 8.314) 19.359 3.958 ( 14.054 -5.955 -13.074) 20.097 3.958 ( 14.054 -5.955 13.074) 20.097 4.748 ( 1.865 -3.206 -2.698) 4.587 4.748 ( 1.865 -3.206 2.698) 4.587 5.623 ( 14.208 0.230 -4.042) 14.773 5.623 ( 14.208 0.230 4.042) 14.773 6.201 ( -6.817 -1.317 -1.734) 7.156 6.201 ( -6.817 -1.317 1.734) 7.156 6.756 ( 1.317 2.623 -6.008) 6.687 6.756 ( 1.317 2.623 6.008) 6.687 7.267 ( 9.311 5.019 -8.993) 13.884 7.267 ( 9.311 5.019 8.993) 13.884 7.537 ( -3.374 -1.363 -7.783) 8.591 7.537 ( -3.374 -1.363 7.783) 8.591 7.779 ( 5.350 -0.549 -5.074) 7.393 7.779 ( 5.350 -0.549 5.074) 7.393 8.072 ( 10.654 0.924 -5.452) 12.003 8.072 ( 10.654 0.924 5.452) 12.003 8.626 ( -6.036 6.411 -7.288) 11.430 8.626 ( -6.036 6.411 7.288) 11.430 9.139 ( 5.054 -1.277 -5.140) 7.321 9.139 ( 5.054 -1.277 5.140) 7.321 9.435 ( 13.976 -10.759 -9.032) 19.815 9.435 ( 13.976 -10.759 9.032) 19.815 10.120 ( 16.251 6.733 -10.103) 20.285 10.120 ( 16.251 6.733 10.103) 20.285 10.320 ( 5.692 -7.266 -8.714) 12.694 10.320 ( 5.692 -7.266 8.714) 12.694 11.035 ( 2.828 -0.074 -3.082) 4.183 11.035 ( 2.828 -0.074 3.082) 4.183 11.732 ( 12.767 10.174 -7.331) 17.896 11.732 ( 12.767 10.174 7.331) 17.896 12.057 ( 4.067 -4.268 -5.511) 8.070 12.057 ( 4.067 -4.268 5.511) 8.070 12.323 ( -0.657 0.095 -5.661) 5.700 12.323 ( -0.657 0.095 5.661) 5.700 13.065 ( 3.595 -0.884 -4.899) 6.141 13.065 ( 3.595 -0.884 4.899) 6.141 13.442 ( 0.582 -0.477 -5.790) 5.838 13.442 ( 0.582 -0.477 5.790) 5.838 14.131 ( -18.173 4.236 -3.995) 19.083 14.131 ( -18.173 4.236 3.995) 19.083 14.261 ( -10.696 5.129 -4.094) 12.549 14.261 ( -10.696 5.129 4.094) 12.549 14.860 ( -5.562 -4.397 -4.294) 8.289 14.860 ( -5.562 -4.397 4.294) 8.289 15.271 ( -5.163 2.127 -3.367) 6.521 15.271 ( -5.163 2.127 3.367) 6.521 15.659 ( 0.348 -7.976 -5.635) 9.772 15.659 ( 0.348 -7.976 5.635) 9.772 16.410 ( 2.607 -0.079 -5.074) 5.705 16.410 ( 2.607 -0.079 5.074) 5.705 17.206 ( -17.163 1.319 -3.024) 17.477 17.206 ( -17.163 1.319 3.024) 17.477 17.340 ( -12.373 -0.769 -1.587) 12.499 17.340 ( -12.373 -0.769 1.587) 12.499 18.066 ( -7.927 -1.235 -3.468) 8.740 18.066 ( -7.927 -1.235 3.468) 8.740 18.953 ( -3.364 4.101 -5.196) 7.426 18.953 ( -3.364 4.101 5.196) 7.426 19.523 ( 16.221 -1.421 -9.256) 18.730 19.523 ( 16.221 -1.421 9.256) 18.730 20.105 ( -6.317 1.147 -1.993) 6.722 20.105 ( -6.317 1.147 1.993) 6.722 20.307 ( -6.900 -0.700 -2.414) 7.344 20.307 ( -6.900 -0.700 2.414) 7.344 21.446 ( -8.592 1.387 -4.888) 9.982 21.446 ( -8.592 1.387 4.888) 9.982 21.797 ( 11.228 3.340 -3.449) 12.211 21.797 ( 11.228 3.340 3.449) 12.211 22.118 ( -1.587 -4.293 -8.219) 9.407 22.118 ( -1.587 -4.293 8.219) 9.407 23.299 ( 0.394 -2.574 -7.659) 8.090 23.299 ( 0.394 -2.574 7.659) 8.090 25.176 ( -3.643 0.090 -6.411) 7.375 25.176 ( -3.643 0.090 6.411) 7.375 26.149 ( -1.469 0.385 -0.518) 1.604 26.149 ( -1.469 0.385 0.518) 1.604 26.836 ( 8.787 0.275 -0.388) 8.800 26.836 ( 8.787 0.275 0.388) 8.800 27.579 ( -2.184 0.758 -2.511) 3.413 27.579 ( -2.184 0.758 2.511) 3.413 30.188 ( 3.204 -0.249 -0.815) 3.315 30.188 ( 3.204 -0.249 0.815) 3.315 39.087 ( 16.928 0.647 -13.950) 21.945 39.087 ( 16.928 0.647 13.950) 21.945 40.752 ( -11.092 -0.128 -16.457) 19.847 40.752 ( -11.092 -0.128 16.457) 19.847 ======================= Grid point 279 (83/100) ======================= q-point: ( 0.33 0.11 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.915 ( 5.522 1.844 -7.744) 9.689 3.915 ( 5.522 1.844 7.744) 9.689 4.346 ( 20.145 -4.395 -11.455) 23.587 4.346 ( 20.145 -4.395 11.455) 23.587 4.887 ( 7.794 -3.437 -5.579) 10.183 4.887 ( 7.794 -3.437 5.579) 10.183 5.659 ( -11.466 4.703 -6.201) 13.858 5.659 ( -11.466 4.703 6.201) 13.858 6.184 ( 6.997 -7.362 -2.667) 10.501 6.184 ( 6.997 -7.362 2.667) 10.501 6.607 ( -10.364 2.082 -3.912) 11.271 6.607 ( -10.364 2.082 3.912) 11.271 7.273 ( -3.007 11.756 -10.635) 16.135 7.273 ( -3.007 11.756 10.635) 16.135 7.482 ( -1.523 -1.804 -13.045) 13.257 7.482 ( -1.523 -1.804 13.045) 13.257 7.783 ( -0.111 -2.290 -3.733) 4.381 7.783 ( -0.111 -2.290 3.733) 4.381 8.278 ( -2.799 0.149 -4.334) 5.161 8.278 ( -2.799 0.149 4.334) 5.161 8.547 ( 6.090 0.474 -4.286) 7.462 8.547 ( 6.090 0.474 4.286) 7.462 9.150 ( -3.171 -3.411 -4.431) 6.429 9.150 ( -3.171 -3.411 4.431) 6.429 9.826 ( 15.593 0.838 -5.311) 16.494 9.826 ( 15.593 0.838 5.311) 16.494 10.272 ( 2.265 -0.211 -1.113) 2.532 10.272 ( 2.265 -0.211 1.113) 2.532 10.653 ( 21.128 -3.246 -9.953) 23.579 10.653 ( 21.128 -3.246 9.953) 23.579 11.281 ( 17.977 -6.733 -11.152) 22.201 11.281 ( 17.977 -6.733 11.152) 22.201 11.670 ( -6.693 13.792 -9.428) 17.997 11.670 ( -6.693 13.792 9.428) 17.997 12.046 ( -6.226 -0.809 -8.196) 10.324 12.046 ( -6.226 -0.809 8.196) 10.324 12.345 ( -7.080 -9.046 -6.200) 13.054 12.345 ( -7.080 -9.046 6.200) 13.054 13.028 ( -7.642 5.766 -10.138) 13.944 13.028 ( -7.642 5.766 10.138) 13.944 13.426 ( -1.059 -2.755 -6.639) 7.265 13.426 ( -1.059 -2.755 6.639) 7.265 13.758 ( -8.438 7.521 -7.463) 13.544 13.758 ( -8.438 7.521 7.463) 13.544 14.131 ( 2.233 8.654 -5.710) 10.606 14.131 ( 2.233 8.654 5.710) 10.606 14.863 ( -0.965 -16.241 -6.669) 17.583 14.863 ( -0.965 -16.241 6.669) 17.583 15.215 ( -0.234 0.687 -5.052) 5.104 15.215 ( -0.234 0.687 5.052) 5.104 15.854 ( 10.507 -0.803 -7.185) 12.754 15.854 ( 10.507 -0.803 7.185) 12.754 16.388 ( -7.384 1.893 -4.371) 8.787 16.388 ( -7.384 1.893 4.371) 8.787 16.805 ( -9.068 1.226 -3.769) 9.896 16.805 ( -9.068 1.226 3.769) 9.896 17.239 ( -3.518 0.375 -0.503) 3.574 17.239 ( -3.518 0.375 0.503) 3.574 18.013 ( 0.284 -3.482 -2.552) 4.327 18.013 ( 0.284 -3.482 2.552) 4.327 18.822 ( -5.796 3.955 -5.528) 8.933 18.822 ( -5.796 3.955 5.528) 8.933 19.782 ( 6.059 1.008 -10.592) 12.244 19.782 ( 6.059 1.008 10.592) 12.244 20.021 ( 0.313 -0.437 -4.292) 4.325 20.021 ( 0.313 -0.437 4.292) 4.325 20.192 ( -4.205 -1.219 -3.989) 5.923 20.192 ( -4.205 -1.219 3.989) 5.923 21.287 ( -6.515 -1.125 -2.784) 7.173 21.287 ( -6.515 -1.125 2.784) 7.173 21.920 ( 3.110 5.818 -5.952) 8.885 21.920 ( 3.110 5.818 5.952) 8.885 22.140 ( 1.667 -4.240 -5.831) 7.400 22.140 ( 1.667 -4.240 5.831) 7.400 23.349 ( 2.763 -1.687 -10.422) 10.913 23.349 ( 2.763 -1.687 10.422) 10.913 25.119 ( -1.862 0.013 -3.944) 4.361 25.119 ( -1.862 0.013 3.944) 4.361 26.115 ( -1.377 0.319 -0.962) 1.710 26.115 ( -1.377 0.319 0.962) 1.710 26.952 ( 3.084 0.462 -0.520) 3.161 26.952 ( 3.084 0.462 0.520) 3.161 27.551 ( -0.696 0.107 -3.738) 3.804 27.551 ( -0.696 0.107 3.738) 3.804 30.236 ( 1.398 -0.112 -1.073) 1.766 30.236 ( 1.398 -0.112 1.073) 1.766 39.313 ( 5.955 0.557 -15.605) 16.712 39.313 ( 5.955 0.557 15.605) 16.712 40.591 ( -4.585 -0.195 -19.033) 19.578 40.591 ( -4.585 -0.195 19.033) 19.578 ======================= Grid point 281 (84/100) ======================= q-point: (-0.56 0.11 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.946 ( 0.018 3.805 -9.634) 10.358 3.946 ( 0.018 3.805 9.634) 10.358 4.500 ( -10.457 4.997 -7.881) 14.015 4.500 ( -10.457 4.997 7.881) 14.015 5.022 ( 5.277 4.220 -4.407) 8.067 5.022 ( 5.277 4.220 4.407) 8.067 5.520 ( 5.230 -3.575 -5.887) 8.649 5.520 ( 5.230 -3.575 5.887) 8.649 6.305 ( -6.853 -4.671 -0.654) 8.319 6.305 ( -6.853 -4.671 0.654) 8.319 6.469 ( 0.831 -4.149 -7.038) 8.212 6.469 ( 0.831 -4.149 7.038) 8.212 7.132 ( -2.188 6.874 -5.651) 9.164 7.132 ( -2.188 6.874 5.651) 9.164 7.479 ( 0.232 -2.702 -10.608) 10.949 7.479 ( 0.232 -2.702 10.608) 10.949 7.816 ( -0.191 -0.787 -7.822) 7.863 7.816 ( -0.191 -0.787 7.822) 7.863 8.168 ( -6.699 -5.938 -7.409) 11.620 8.168 ( -6.699 -5.938 7.409) 11.620 8.534 ( -8.362 1.891 -3.167) 9.139 8.534 ( -8.362 1.891 3.167) 9.139 9.186 ( 3.946 -6.151 -3.262) 8.003 9.186 ( 3.946 -6.151 3.262) 8.003 9.910 ( -1.576 8.590 -2.638) 9.123 9.910 ( -1.576 8.590 2.638) 9.123 10.327 ( 2.797 6.524 -3.103) 7.747 10.327 ( 2.797 6.524 3.103) 7.747 10.872 ( -8.449 1.519 -10.010) 13.187 10.872 ( -8.449 1.519 10.010) 13.187 11.248 ( -9.802 -1.279 -11.656) 15.283 11.248 ( -9.802 -1.279 11.656) 15.283 11.631 ( -17.442 9.959 -12.253) 23.528 11.631 ( -17.442 9.959 12.253) 23.528 11.923 ( 4.529 -8.838 -5.426) 11.316 11.923 ( 4.529 -8.838 5.426) 11.316 12.288 ( 3.376 -14.894 -7.868) 17.180 12.288 ( 3.376 -14.894 7.868) 17.180 12.920 ( 0.342 0.297 -4.076) 4.101 12.920 ( 0.342 0.297 4.076) 4.101 13.503 ( 7.210 -3.638 -5.792) 9.938 13.503 ( 7.210 -3.638 5.792) 9.938 13.638 ( -1.023 10.244 -8.817) 13.554 13.638 ( -1.023 10.244 8.817) 13.554 14.162 ( 6.170 6.976 -4.903) 10.525 14.162 ( 6.170 6.976 4.903) 10.525 14.941 ( -4.253 -11.367 -6.052) 13.562 14.941 ( -4.253 -11.367 6.052) 13.562 15.174 ( -5.096 -2.743 -4.461) 7.307 15.174 ( -5.096 -2.743 4.461) 7.307 15.943 ( 3.870 3.871 -4.679) 7.201 15.943 ( 3.870 3.871 4.679) 7.201 16.417 ( 13.027 4.929 -5.342) 14.918 16.417 ( 13.027 4.929 5.342) 14.918 16.801 ( 7.890 1.098 -7.568) 10.988 16.801 ( 7.890 1.098 7.568) 10.988 17.233 ( 3.705 0.091 -2.791) 4.640 17.233 ( 3.705 0.091 2.791) 4.640 18.073 ( 2.559 -0.980 -3.240) 4.244 18.073 ( 2.559 -0.980 3.240) 4.244 18.720 ( -2.375 -0.922 -2.237) 3.391 18.720 ( -2.375 -0.922 2.237) 3.391 19.755 ( -5.530 -0.536 -9.195) 10.743 19.755 ( -5.530 -0.536 9.195) 10.743 20.010 ( -2.621 -1.003 -3.371) 4.386 20.010 ( -2.621 -1.003 3.371) 4.386 20.249 ( 7.558 1.944 -5.843) 9.749 20.249 ( 7.558 1.944 5.843) 9.749 21.232 ( -1.349 -4.871 -4.065) 6.486 21.232 ( -1.349 -4.871 4.065) 6.486 21.860 ( -4.833 1.999 -8.849) 10.279 21.860 ( -4.833 1.999 8.849) 10.279 22.222 ( 4.519 1.224 -2.061) 5.116 22.222 ( 4.519 1.224 2.061) 5.116 23.419 ( 4.442 2.269 -11.673) 12.695 23.419 ( 4.442 2.269 11.673) 12.695 25.113 ( 1.202 -0.375 -3.082) 3.329 25.113 ( 1.202 -0.375 3.082) 3.329 26.100 ( -0.121 -0.530 -0.777) 0.948 26.100 ( -0.121 -0.530 0.777) 0.948 26.945 ( -3.485 0.170 -1.307) 3.726 26.945 ( -3.485 0.170 1.307) 3.726 27.537 ( -1.127 -0.764 -4.740) 4.932 27.537 ( -1.127 -0.764 4.740) 4.932 30.240 ( -0.905 0.133 -0.935) 1.308 30.240 ( -0.905 0.133 0.935) 1.308 39.293 ( -7.874 -0.591 -14.948) 16.905 39.293 ( -7.874 -0.591 14.948) 16.905 40.598 ( 5.141 0.192 -20.059) 20.709 40.598 ( 5.141 0.192 20.059) 20.709 ======================= Grid point 283 (85/100) ======================= q-point: (-0.44 0.11 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.732 ( -21.095 5.982 -4.354) 22.355 3.732 ( -21.095 5.982 4.354) 22.355 4.217 ( -3.820 8.356 -13.918) 16.677 4.217 ( -3.820 8.356 13.918) 16.677 4.996 ( -1.181 11.646 -7.480) 13.892 4.996 ( -1.181 11.646 7.480) 13.892 5.609 ( -5.549 -0.358 -9.451) 10.965 5.609 ( -5.549 -0.358 9.451) 10.965 6.225 ( -5.364 -2.821 -4.524) 7.562 6.225 ( -5.364 -2.821 4.524) 7.562 6.557 ( 3.429 -10.465 -10.608) 15.291 6.557 ( 3.429 -10.465 10.608) 15.291 7.042 ( -5.421 -4.093 -7.820) 10.358 7.042 ( -5.421 -4.093 7.820) 10.358 7.522 ( -5.348 -5.007 -7.528) 10.505 7.522 ( -5.348 -5.007 7.528) 10.505 7.718 ( -6.503 -2.163 -7.329) 10.034 7.718 ( -6.503 -2.163 7.329) 10.034 8.121 ( -2.256 1.703 -5.248) 5.961 8.121 ( -2.256 1.703 5.248) 5.961 8.392 ( -0.671 -1.157 -10.178) 10.266 8.392 ( -0.671 -1.157 10.178) 10.266 9.283 ( -0.464 -0.859 -3.389) 3.527 9.283 ( -0.464 -0.859 3.389) 3.527 9.722 ( -10.283 5.785 -7.585) 14.027 9.722 ( -10.283 5.785 7.585) 14.027 10.127 ( -15.101 10.320 -11.811) 21.772 10.127 ( -15.101 10.320 11.811) 21.772 10.552 ( -9.655 7.311 -13.070) 17.818 10.552 ( -9.655 7.311 13.070) 17.818 11.079 ( -13.433 -0.543 -11.990) 18.014 11.079 ( -13.433 -0.543 11.990) 18.014 11.311 ( -8.699 -8.325 -9.170) 15.135 11.311 ( -8.699 -8.325 9.170) 15.135 11.979 ( -1.980 -10.145 -8.907) 13.645 11.979 ( -1.980 -10.145 8.907) 13.645 12.351 ( -12.531 -0.861 -3.532) 13.048 12.351 ( -12.531 -0.861 3.532) 13.048 13.060 ( 8.047 -3.054 -10.408) 13.506 13.060 ( 8.047 -3.054 10.408) 13.506 13.523 ( -3.111 4.295 -12.964) 14.007 13.523 ( -3.111 4.295 12.964) 14.007 13.778 ( 18.406 -6.587 -7.991) 21.119 13.778 ( 18.406 -6.587 7.991) 21.119 14.313 ( 13.412 4.543 -4.545) 14.872 14.313 ( 13.412 4.543 4.545) 14.872 14.823 ( -13.009 -8.850 -4.707) 16.423 14.823 ( -13.009 -8.850 4.707) 16.423 15.221 ( 8.414 -0.842 -6.002) 10.370 15.221 ( 8.414 -0.842 6.002) 10.370 16.055 ( 12.060 10.408 -4.282) 16.496 16.055 ( 12.060 10.408 4.282) 16.496 16.505 ( 3.750 9.259 -13.396) 16.711 16.505 ( 3.750 9.259 13.396) 16.711 17.144 ( 18.172 -2.150 -4.690) 18.890 17.144 ( 18.172 -2.150 4.690) 18.890 17.375 ( 13.205 0.968 -1.301) 13.304 17.375 ( 13.205 0.968 1.301) 13.304 18.109 ( 1.814 -0.059 -8.043) 8.246 18.109 ( 1.814 -0.059 8.043) 8.246 18.734 ( -0.650 -6.673 -6.648) 9.442 18.734 ( -0.650 -6.673 6.648) 9.442 19.608 ( -7.782 3.492 -8.565) 12.088 19.608 ( -7.782 3.492 8.565) 12.088 20.014 ( 1.221 -4.338 -4.664) 6.486 20.014 ( 1.221 -4.338 4.664) 6.486 20.354 ( 4.464 1.968 -7.174) 8.676 20.354 ( 4.464 1.968 7.174) 8.676 21.279 ( -0.246 -8.772 -9.215) 12.725 21.279 ( -0.246 -8.772 9.215) 12.725 21.740 ( -5.729 0.977 -8.839) 10.578 21.740 ( -5.729 0.977 8.839) 10.578 22.286 ( 4.317 4.382 -3.747) 7.202 22.286 ( 4.317 4.382 3.747) 7.202 23.488 ( 6.754 8.303 -10.709) 15.140 23.488 ( 6.754 8.303 10.709) 15.140 25.166 ( 3.569 -0.616 -5.066) 6.227 25.166 ( 3.569 -0.616 5.066) 6.227 26.117 ( 0.832 -1.580 -0.317) 1.814 26.117 ( 0.832 -1.580 0.317) 1.814 26.822 ( -8.856 -0.324 -2.373) 9.174 26.822 ( -8.856 -0.324 2.373) 9.174 27.525 ( -0.800 -2.283 -4.656) 5.247 27.525 ( -0.800 -2.283 4.656) 5.247 30.204 ( -2.370 0.623 -0.607) 2.524 30.204 ( -2.370 0.623 0.607) 2.524 39.045 ( -17.509 -1.644 -12.498) 21.575 39.045 ( -17.509 -1.644 12.498) 21.575 40.760 ( 10.767 0.311 -19.972) 22.691 40.760 ( 10.767 0.311 19.972) 22.691 ======================= Grid point 285 (86/100) ======================= q-point: (-0.33 0.11 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.258 ( -20.399 -1.177 -22.282) 30.233 3.258 ( -20.399 -1.177 22.282) 30.233 4.108 ( -2.104 17.999 -25.655) 31.410 4.108 ( -2.104 17.999 25.655) 31.410 4.889 ( -0.142 7.428 -9.748) 12.257 4.889 ( -0.142 7.428 9.748) 12.257 5.343 ( -19.516 1.969 -5.548) 20.385 5.343 ( -19.516 1.969 5.548) 20.385 5.995 ( -19.760 -9.458 -13.546) 25.756 5.995 ( -19.760 -9.458 13.546) 25.756 6.574 ( -6.154 5.097 -13.458) 15.652 6.574 ( -6.154 5.097 13.458) 15.652 7.135 ( 1.637 -7.347 -8.458) 11.322 7.135 ( 1.637 -7.347 8.458) 11.322 7.240 ( -14.778 -0.505 -9.634) 17.648 7.240 ( -14.778 -0.505 9.634) 17.648 7.719 ( 1.136 -4.794 -1.256) 5.085 7.719 ( 1.136 -4.794 1.256) 5.085 8.010 ( -5.656 3.779 -2.747) 7.336 8.010 ( -5.656 3.779 2.747) 7.336 8.503 ( 6.320 -4.171 -11.833) 14.048 8.503 ( 6.320 -4.171 11.833) 14.048 9.137 ( -8.529 2.609 -2.458) 9.252 9.137 ( -8.529 2.609 2.458) 9.252 9.520 ( -7.735 6.505 -8.397) 13.140 9.520 ( -7.735 6.505 8.397) 13.140 9.904 ( -0.895 2.444 -11.998) 12.277 9.904 ( -0.895 2.444 11.998) 12.277 10.312 ( -7.543 6.658 -11.683) 15.418 10.312 ( -7.543 6.658 11.683) 15.418 10.939 ( -9.416 -12.602 -8.105) 17.696 10.939 ( -9.416 -12.602 8.105) 17.696 11.243 ( -4.341 -5.379 -10.507) 12.577 11.243 ( -4.341 -5.379 10.507) 12.577 11.785 ( -17.103 -2.929 -6.142) 18.407 11.785 ( -17.103 -2.929 6.142) 18.407 12.334 ( 8.502 -7.205 -4.022) 11.848 12.334 ( 8.502 -7.205 4.022) 11.848 13.063 ( -4.509 3.055 -9.678) 11.105 13.063 ( -4.509 3.055 9.678) 11.105 13.422 ( -4.308 1.402 -14.920) 15.593 13.422 ( -4.308 1.402 14.920) 15.593 14.273 ( 10.160 -7.315 -6.020) 13.892 14.273 ( 10.160 -7.315 6.020) 13.892 14.432 ( 3.806 -6.025 -3.950) 8.148 14.432 ( 3.806 -6.025 3.950) 8.148 14.788 ( 10.744 1.895 -5.080) 12.034 14.788 ( 10.744 1.895 5.080) 12.034 15.377 ( 4.991 -0.465 -3.995) 6.410 15.377 ( 4.991 -0.465 3.995) 6.410 16.258 ( 16.316 11.092 -4.535) 20.244 16.258 ( 16.316 11.092 4.535) 20.244 16.553 ( 11.104 12.152 -10.405) 19.474 16.553 ( 11.104 12.152 10.405) 19.474 17.287 ( -0.034 1.564 -6.574) 6.757 17.287 ( -0.034 1.564 6.574) 6.757 17.746 ( 18.278 -0.717 -0.905) 18.315 17.746 ( 18.278 -0.717 0.905) 18.315 18.185 ( 3.201 -5.555 -6.483) 9.118 18.185 ( 3.201 -5.555 6.483) 9.118 18.755 ( -1.588 -7.116 -6.135) 9.529 18.755 ( -1.588 -7.116 6.135) 9.529 19.446 ( -3.325 7.779 -7.279) 11.160 19.446 ( -3.325 7.779 7.279) 11.160 20.085 ( 0.201 -6.587 -5.974) 8.895 20.085 ( 0.201 -6.587 5.974) 8.895 20.399 ( 0.752 -0.954 -6.302) 6.418 20.399 ( 0.752 -0.954 6.302) 6.418 21.313 ( -3.360 -9.689 -9.492) 13.973 21.313 ( -3.360 -9.689 9.492) 13.973 21.639 ( -4.462 -1.100 -5.936) 7.507 21.639 ( -4.462 -1.100 5.936) 7.507 22.327 ( 4.097 6.855 -6.572) 10.342 22.327 ( 4.097 6.855 6.572) 10.342 23.560 ( 9.247 14.897 -9.508) 19.946 23.560 ( 9.247 14.897 9.508) 19.946 25.246 ( 3.984 -0.274 -8.080) 9.013 25.246 ( 3.984 -0.274 8.080) 9.013 26.139 ( -0.397 -1.557 -1.223) 2.019 26.139 ( -0.397 -1.557 1.223) 2.019 26.626 ( -10.813 -0.712 -2.418) 11.103 26.626 ( -10.813 -0.712 2.418) 11.103 27.563 ( 2.291 -5.094 -3.862) 6.791 27.563 ( 2.291 -5.094 3.862) 6.791 30.148 ( -2.347 1.431 -0.532) 2.800 30.148 ( -2.347 1.431 0.532) 2.800 38.670 ( -21.256 -1.639 -9.055) 23.162 38.670 ( -21.256 -1.639 9.055) 23.162 40.982 ( 11.371 -0.147 -19.826) 22.856 40.982 ( 11.371 -0.147 19.826) 22.856 ======================= Grid point 287 (87/100) ======================= q-point: (-0.22 0.11 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.057 ( -4.177 -10.201 -35.546) 37.216 3.057 ( -4.177 -10.201 35.546) 37.216 3.827 ( -11.295 16.464 -37.649) 42.616 3.827 ( -11.295 16.464 37.649) 42.616 4.833 ( -12.938 3.683 -8.729) 16.036 4.833 ( -12.938 3.683 8.729) 16.036 4.971 ( -3.285 2.233 -5.317) 6.637 4.971 ( -3.285 2.233 5.317) 6.637 5.770 ( -4.897 -0.487 -20.551) 21.132 5.770 ( -4.897 -0.487 20.551) 21.132 6.348 ( -13.387 5.529 -20.079) 24.758 6.348 ( -13.387 5.529 20.079) 24.758 6.676 ( -22.010 8.733 -11.556) 26.348 6.676 ( -22.010 8.733 11.556) 26.348 7.373 ( 5.178 -6.759 -5.866) 10.339 7.373 ( 5.178 -6.759 5.866) 10.339 7.707 ( -6.979 0.340 -1.504) 7.148 7.707 ( -6.979 0.340 1.504) 7.148 8.030 ( 8.534 -4.335 -8.908) 13.076 8.030 ( 8.534 -4.335 8.908) 13.076 8.634 ( 6.288 0.586 -9.665) 11.545 8.634 ( 6.288 0.586 9.665) 11.545 9.015 ( -4.047 0.167 -1.415) 4.290 9.015 ( -4.047 0.167 1.415) 4.290 9.258 ( -13.340 4.483 -3.985) 14.626 9.258 ( -13.340 4.483 3.985) 14.626 9.994 ( 7.173 -2.233 -10.520) 12.927 9.994 ( 7.173 -2.233 10.520) 12.927 10.233 ( 1.935 3.435 -4.699) 6.134 10.233 ( 1.935 3.435 4.699) 6.134 10.827 ( -8.508 -7.974 -4.445) 12.479 10.827 ( -8.508 -7.974 4.445) 12.479 11.165 ( -7.788 -8.012 -7.643) 13.537 11.165 ( -7.788 -8.012 7.643) 13.537 11.663 ( -1.073 -8.400 -3.204) 9.054 11.663 ( -1.073 -8.400 3.204) 9.054 12.590 ( 10.340 -5.718 -6.782) 13.624 12.590 ( 10.340 -5.718 6.782) 13.624 12.919 ( -7.373 1.073 -9.639) 12.183 12.919 ( -7.373 1.073 9.639) 12.183 13.386 ( 2.620 1.998 -15.231) 15.583 13.386 ( 2.620 1.998 15.231) 15.583 14.108 ( -15.191 -7.410 -6.719) 18.189 14.108 ( -15.191 -7.410 6.719) 18.189 14.714 ( 9.510 3.279 -3.458) 10.637 14.714 ( 9.510 3.279 3.458) 10.637 15.015 ( 10.523 8.754 -9.327) 16.564 15.015 ( 10.523 8.754 9.327) 16.564 15.479 ( 5.208 -8.894 -3.559) 10.904 15.479 ( 5.208 -8.894 3.559) 10.904 16.447 ( 8.591 5.886 -6.883) 12.483 16.447 ( 8.591 5.886 6.883) 12.483 16.781 ( 16.976 7.789 -3.659) 19.033 16.781 ( 16.976 7.789 3.659) 19.033 17.235 ( 1.729 6.353 -5.465) 8.556 17.235 ( 1.729 6.353 5.465) 8.556 17.887 ( -10.899 -3.846 -6.083) 13.060 17.887 ( -10.899 -3.846 6.083) 13.060 18.284 ( 7.881 1.426 -2.734) 8.463 18.284 ( 7.881 1.426 2.734) 8.463 18.864 ( 5.829 -10.528 -6.187) 13.532 18.864 ( 5.829 -10.528 6.187) 13.532 19.403 ( 5.181 6.634 -5.914) 10.287 19.403 ( 5.181 6.634 5.914) 10.287 20.045 ( -9.550 -4.546 -4.355) 11.438 20.045 ( -9.550 -4.546 4.355) 11.438 20.413 ( -0.565 -3.539 -4.599) 5.830 20.413 ( -0.565 -3.539 4.599) 5.830 21.328 ( 0.547 -4.128 -5.255) 6.705 21.328 ( 0.547 -4.128 5.255) 6.705 21.582 ( -5.388 -10.048 -8.037) 13.950 21.582 ( -5.388 -10.048 8.037) 13.950 22.333 ( 2.513 9.729 -8.600) 13.226 22.333 ( 2.513 9.729 8.600) 13.226 23.604 ( 7.323 18.913 -9.652) 22.461 23.604 ( 7.323 18.913 9.652) 22.461 25.313 ( 2.710 0.505 -10.789) 11.136 25.313 ( 2.710 0.505 10.789) 11.136 26.103 ( -3.901 -0.295 -1.165) 4.082 26.103 ( -3.901 -0.295 1.165) 4.082 26.460 ( -5.980 -1.278 -1.850) 6.389 26.460 ( -5.980 -1.278 1.850) 6.389 27.684 ( 4.436 -7.562 -3.189) 9.330 27.684 ( 4.436 -7.562 3.189) 9.330 30.099 ( -1.216 2.096 -0.720) 2.528 30.099 ( -1.216 2.096 0.720) 2.528 38.295 ( -16.264 -0.593 -3.957) 16.749 38.295 ( -16.264 -0.593 3.957) 16.749 41.176 ( 7.557 -0.769 -18.426) 19.930 41.176 ( 7.557 -0.769 18.426) 19.930 ======================= Grid point 289 (88/100) ======================= q-point: (-0.11 0.11 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.142 ( 0.000 -10.803 -38.568) 40.053 3.142 ( 0.000 -10.803 38.568) 40.053 3.603 ( -0.000 4.784 -45.710) 45.960 3.603 ( -0.000 4.784 45.710) 45.960 4.572 ( -0.000 10.400 -11.772) 15.708 4.572 ( -0.000 10.400 11.772) 15.708 4.991 ( -0.000 1.008 -4.670) 4.777 4.991 ( -0.000 1.008 4.670) 4.777 5.764 ( -0.000 7.831 -46.408) 47.064 5.764 ( -0.000 7.831 46.408) 47.064 6.084 ( 0.000 -4.432 -5.467) 7.038 6.084 ( 0.000 -4.432 5.467) 7.038 6.408 ( -0.000 10.088 -16.766) 19.567 6.408 ( -0.000 10.088 16.766) 19.567 7.480 ( 0.000 -3.673 -11.398) 11.975 7.480 ( 0.000 -3.673 11.398) 11.975 7.600 ( -0.000 0.012 -4.927) 4.927 7.600 ( -0.000 0.012 4.927) 4.927 8.165 ( 0.000 -2.605 -11.812) 12.096 8.165 ( 0.000 -2.605 11.812) 12.096 8.731 ( 0.000 -1.189 -8.617) 8.698 8.731 ( 0.000 -1.189 8.617) 8.698 8.988 ( -0.000 1.450 -6.026) 6.199 8.988 ( -0.000 1.450 6.026) 6.199 9.030 ( -0.000 3.214 -5.854) 6.678 9.030 ( -0.000 3.214 5.854) 6.678 10.113 ( 0.000 -2.412 -14.610) 14.808 10.113 ( 0.000 -2.412 14.610) 14.808 10.235 ( -0.000 1.112 -9.461) 9.526 10.235 ( -0.000 1.112 9.461) 9.526 10.779 ( 0.000 -0.402 -6.376) 6.389 10.779 ( 0.000 -0.402 6.376) 6.389 11.152 ( 0.000 -11.986 -12.475) 17.300 11.152 ( 0.000 -11.986 12.475) 17.300 11.733 ( 0.000 -8.457 -1.639) 8.614 11.733 ( 0.000 -8.457 1.639) 8.614 12.709 ( -0.000 3.014 -9.109) 9.595 12.709 ( -0.000 3.014 9.109) 9.595 12.862 ( 0.000 -8.295 -13.272) 15.651 12.862 ( 0.000 -8.295 13.272) 15.651 13.432 ( -0.000 3.423 -14.299) 14.703 13.432 ( -0.000 3.423 14.299) 14.703 13.973 ( 0.000 -6.041 -6.513) 8.883 13.973 ( 0.000 -6.041 6.513) 8.883 14.752 ( -0.000 6.431 -3.777) 7.458 14.752 ( -0.000 6.431 3.777) 7.458 15.015 ( -0.000 12.410 -7.768) 14.641 15.015 ( -0.000 12.410 7.768) 14.641 15.661 ( 0.000 -15.045 -6.882) 16.544 15.661 ( 0.000 -15.045 6.882) 16.544 16.493 ( -0.000 5.367 -7.430) 9.165 16.493 ( -0.000 5.367 7.430) 9.165 16.911 ( 0.000 -1.068 -3.645) 3.799 16.911 ( 0.000 -1.068 3.645) 3.799 17.421 ( -0.000 11.913 -6.778) 13.706 17.421 ( -0.000 11.913 6.778) 13.706 17.524 ( 0.000 -0.903 -1.704) 1.929 17.524 ( 0.000 -0.903 1.704) 1.929 18.385 ( -0.000 1.081 -3.458) 3.623 18.385 ( -0.000 1.081 3.458) 3.623 19.017 ( 0.000 -10.604 -5.764) 12.069 19.017 ( 0.000 -10.604 5.764) 12.069 19.493 ( -0.000 2.976 -6.630) 7.267 19.493 ( -0.000 2.976 6.630) 7.267 19.889 ( 0.000 -1.428 -3.900) 4.154 19.889 ( 0.000 -1.428 3.900) 4.154 20.434 ( 0.000 -3.556 -4.998) 6.134 20.434 ( 0.000 -3.556 4.998) 6.134 21.361 ( -0.000 0.747 -4.084) 4.151 21.361 ( -0.000 0.747 4.084) 4.151 21.622 ( 0.000 -17.461 -11.405) 20.856 21.622 ( 0.000 -17.461 11.405) 20.856 22.273 ( -0.000 13.328 -8.603) 15.864 22.273 ( -0.000 13.328 8.603) 15.864 23.544 ( -0.000 16.042 -8.261) 18.044 23.544 ( -0.000 16.042 8.261) 18.044 25.335 ( -0.000 0.832 -12.019) 12.047 25.335 ( -0.000 0.832 12.019) 12.047 26.050 ( 0.000 -0.008 -0.249) 0.249 26.050 ( 0.000 -0.008 0.249) 0.249 26.414 ( 0.000 -1.009 -3.124) 3.283 26.414 ( 0.000 -1.009 3.124) 3.283 27.793 ( 0.000 -6.833 -4.144) 7.992 27.793 ( 0.000 -6.833 4.144) 7.992 30.072 ( -0.000 1.946 -0.631) 2.046 30.072 ( -0.000 1.946 0.631) 2.046 38.124 ( -0.000 0.057 -0.671) 0.673 38.124 ( -0.000 0.057 0.671) 0.673 41.261 ( 0.000 -0.859 -15.301) 15.325 41.261 ( 0.000 -0.859 15.301) 15.325 ======================= Grid point 295 (89/100) ======================= q-point: ( 0.22 0.22 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.935 ( 6.026 0.000 -0.696) 6.067 3.935 ( 6.026 0.000 0.696) 6.067 4.309 ( 22.080 0.000 -4.804) 22.597 4.309 ( 22.080 0.000 4.804) 22.597 4.860 ( 10.046 0.000 -5.260) 11.340 4.860 ( 10.046 0.000 5.260) 11.340 5.700 ( -13.107 -0.000 -5.573) 14.242 5.700 ( -13.107 -0.000 5.573) 14.242 6.120 ( 7.627 0.000 -0.556) 7.647 6.120 ( 7.627 0.000 0.556) 7.647 6.624 ( -12.615 -0.000 -2.497) 12.860 6.624 ( -12.615 -0.000 2.497) 12.860 7.387 ( -5.267 -0.000 -9.993) 11.296 7.387 ( -5.267 -0.000 9.993) 11.296 7.452 ( 1.112 0.000 -9.637) 9.701 7.452 ( 1.112 0.000 9.637) 9.701 7.763 ( 0.632 0.000 -3.961) 4.011 7.763 ( 0.632 0.000 3.961) 4.011 8.277 ( -4.734 -0.000 -5.510) 7.265 8.277 ( -4.734 -0.000 5.510) 7.265 8.540 ( 3.040 0.000 -4.234) 5.212 8.540 ( 3.040 0.000 4.234) 5.212 9.131 ( -4.218 -0.000 -0.938) 4.321 9.131 ( -4.218 -0.000 0.938) 4.321 9.833 ( 24.604 0.000 -2.268) 24.709 9.833 ( 24.604 0.000 2.268) 24.709 10.261 ( -0.052 -0.000 -1.769) 1.770 10.261 ( -0.052 -0.000 1.769) 1.770 10.646 ( 22.694 0.000 -4.188) 23.077 10.646 ( 22.694 0.000 4.188) 23.077 11.221 ( 16.524 0.000 -0.174) 16.525 11.221 ( 16.524 0.000 0.174) 16.525 11.811 ( -10.255 -0.000 -7.007) 12.421 11.811 ( -10.255 -0.000 7.007) 12.421 12.014 ( -4.141 -0.000 -8.885) 9.803 12.014 ( -4.141 -0.000 8.885) 9.803 12.261 ( -8.669 -0.000 -1.038) 8.731 12.261 ( -8.669 -0.000 1.038) 8.731 13.077 ( -6.232 -0.000 -9.972) 11.759 13.077 ( -6.232 -0.000 9.972) 11.759 13.403 ( -3.119 -0.000 -1.110) 3.310 13.403 ( -3.119 -0.000 1.110) 3.310 13.805 ( -9.734 -0.000 -9.233) 13.416 13.805 ( -9.734 -0.000 9.233) 13.416 14.266 ( 7.254 0.000 -8.256) 10.990 14.266 ( 7.254 0.000 8.256) 10.990 14.676 ( -4.833 -0.000 -7.490) 8.914 14.676 ( -4.833 -0.000 7.490) 8.914 15.222 ( -1.787 -0.000 -1.172) 2.137 15.222 ( -1.787 -0.000 1.172) 2.137 15.850 ( 14.070 0.000 -7.150) 15.783 15.850 ( 14.070 0.000 7.150) 15.783 16.405 ( -7.024 -0.000 -0.284) 7.030 16.405 ( -7.024 -0.000 0.284) 7.030 16.816 ( -8.852 -0.000 -3.185) 9.407 16.816 ( -8.852 -0.000 3.185) 9.407 17.242 ( -3.277 -0.000 -0.492) 3.314 17.242 ( -3.277 -0.000 0.492) 3.314 17.983 ( 0.359 0.000 -0.327) 0.485 17.983 ( 0.359 0.000 0.327) 0.485 18.854 ( -7.047 -0.000 -4.460) 8.339 18.854 ( -7.047 -0.000 4.460) 8.339 19.791 ( 5.965 0.000 -6.263) 8.649 19.791 ( 5.965 0.000 6.263) 8.649 20.016 ( 0.246 0.000 -3.773) 3.781 20.016 ( 0.246 0.000 3.773) 3.781 20.183 ( -3.720 -0.000 -3.706) 5.251 20.183 ( -3.720 -0.000 3.706) 5.251 21.275 ( -7.822 -0.000 -2.852) 8.326 21.275 ( -7.822 -0.000 2.852) 8.326 21.983 ( 0.483 0.000 -8.051) 8.065 21.983 ( 0.483 0.000 8.051) 8.065 22.092 ( 5.055 0.000 -2.103) 5.475 22.092 ( 5.055 0.000 2.103) 5.475 23.336 ( 4.021 0.000 -11.955) 12.614 23.336 ( 4.021 0.000 11.955) 12.614 25.119 ( -1.985 -0.000 -3.927) 4.400 25.119 ( -1.985 -0.000 3.927) 4.400 26.118 ( -1.621 -0.000 -1.041) 1.926 26.118 ( -1.621 -0.000 1.041) 1.926 26.956 ( 3.048 0.000 -0.660) 3.119 26.956 ( 3.048 0.000 0.660) 3.119 27.552 ( -1.087 -0.000 -2.165) 2.423 27.552 ( -1.087 -0.000 2.165) 2.423 30.235 ( 1.495 0.000 -1.091) 1.851 30.235 ( 1.495 0.000 1.091) 1.851 39.318 ( 5.591 0.000 -15.738) 16.702 39.318 ( 5.591 0.000 15.738) 16.702 40.590 ( -4.478 -0.000 -18.725) 19.253 40.590 ( -4.478 -0.000 18.725) 19.253 ======================= Grid point 297 (90/100) ======================= q-point: ( 0.33 0.22 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.996 ( 1.663 2.159 -8.164) 8.607 3.996 ( 1.663 2.159 8.164) 8.607 4.558 ( -5.070 2.300 -5.384) 7.745 4.558 ( -5.070 2.300 5.384) 7.745 5.069 ( 10.564 1.788 -6.967) 12.780 5.069 ( 10.564 1.788 6.967) 12.780 5.482 ( 2.064 -1.417 -2.757) 3.724 5.482 ( 2.064 -1.417 2.757) 3.724 6.202 ( -10.467 -5.382 -4.715) 12.679 6.202 ( -10.467 -5.382 4.715) 12.679 6.456 ( 2.008 0.473 -2.586) 3.308 6.456 ( 2.008 0.473 2.586) 3.308 7.253 ( -5.827 7.135 -4.930) 10.448 7.253 ( -5.827 7.135 4.930) 10.448 7.420 ( -4.482 -4.394 -7.566) 9.831 7.420 ( -4.482 -4.394 7.566) 9.831 7.802 ( -0.710 -0.669 -4.909) 5.005 7.802 ( -0.710 -0.669 4.909) 5.005 8.106 ( -6.721 -2.096 -3.418) 7.826 8.106 ( -6.721 -2.096 3.418) 7.826 8.558 ( -3.744 0.928 -0.977) 3.980 8.558 ( -3.744 0.928 0.977) 3.980 9.096 ( 1.446 -4.038 -3.678) 5.650 9.096 ( 1.446 -4.038 3.678) 5.650 10.022 ( -1.385 4.786 -5.016) 7.070 10.022 ( -1.385 4.786 5.016) 7.070 10.425 ( 8.333 4.880 -0.743) 9.686 10.425 ( 8.333 4.880 0.743) 9.686 10.818 ( -2.240 -4.699 -13.369) 14.347 10.818 ( -2.240 -4.699 13.369) 14.347 11.330 ( -18.890 7.996 -7.396) 21.806 11.330 ( -18.890 7.996 7.396) 21.806 11.724 ( -11.367 -3.856 -6.688) 13.740 11.724 ( -11.367 -3.856 6.688) 13.740 11.820 ( -1.660 2.230 -1.342) 3.087 11.820 ( -1.660 2.230 1.342) 3.087 12.081 ( 3.764 -10.448 -19.096) 22.090 12.081 ( 3.764 -10.448 19.096) 22.090 12.927 ( -5.467 0.322 -1.383) 5.648 12.927 ( -5.467 0.322 1.383) 5.648 13.465 ( 9.352 -1.337 -3.436) 10.052 13.465 ( 9.352 -1.337 3.436) 10.052 13.765 ( 2.436 4.925 -7.150) 9.017 13.765 ( 2.436 4.925 7.150) 9.017 14.304 ( -0.198 10.444 -3.901) 11.150 14.304 ( -0.198 10.444 3.901) 11.150 14.728 ( 0.298 -13.693 -3.518) 14.141 14.728 ( 0.298 -13.693 3.518) 14.141 15.148 ( -4.749 -0.787 -4.187) 6.381 15.148 ( -4.749 -0.787 4.187) 6.381 15.982 ( 3.612 1.270 -4.710) 6.069 15.982 ( 3.612 1.270 4.710) 6.069 16.484 ( 18.446 2.901 -2.875) 18.892 16.484 ( 18.446 2.901 2.875) 18.892 16.817 ( 5.191 0.740 -8.221) 9.751 16.817 ( 5.191 0.740 8.221) 9.751 17.235 ( 3.362 0.116 -1.915) 3.871 17.235 ( 3.362 0.116 1.915) 3.871 18.051 ( 4.423 -1.221 -1.445) 4.810 18.051 ( 4.423 -1.221 1.445) 4.810 18.720 ( -5.609 0.288 -2.534) 6.162 18.720 ( -5.609 0.288 2.534) 6.162 19.751 ( -4.912 -0.050 -3.595) 6.088 19.751 ( -4.912 -0.050 3.595) 6.088 19.997 ( -3.846 -0.592 -2.506) 4.628 19.997 ( -3.846 -0.592 2.506) 4.628 20.270 ( 8.802 0.769 -7.319) 11.474 20.270 ( 8.802 0.769 7.319) 11.474 21.171 ( -3.469 -2.456 -1.792) 4.613 21.171 ( -3.469 -2.456 1.792) 4.613 21.889 ( -6.196 1.329 -10.919) 12.624 21.889 ( -6.196 1.329 10.919) 12.624 22.232 ( 6.574 0.321 -1.050) 6.665 22.232 ( 6.574 0.321 1.050) 6.665 23.443 ( 7.140 0.907 -15.235) 16.849 23.443 ( 7.140 0.907 15.235) 16.849 25.108 ( 0.941 -0.205 -2.374) 2.562 25.108 ( 0.941 -0.205 2.374) 2.562 26.094 ( -0.711 -0.222 -0.836) 1.120 26.094 ( -0.711 -0.222 0.836) 1.120 26.948 ( -3.685 0.183 -1.611) 4.026 26.948 ( -3.685 0.183 1.611) 4.026 27.528 ( -1.661 -0.393 -2.915) 3.378 27.528 ( -1.661 -0.393 2.915) 3.378 30.242 ( -0.745 0.050 -0.868) 1.145 30.242 ( -0.745 0.050 0.868) 1.145 39.286 ( -8.525 -0.213 -14.744) 17.032 39.286 ( -8.525 -0.213 14.744) 17.032 40.600 ( 5.331 0.067 -20.202) 20.894 40.600 ( 5.331 0.067 20.202) 20.894 ======================= Grid point 299 (91/100) ======================= q-point: (-0.56 0.22 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.829 ( -21.593 5.998 -3.388) 22.665 3.829 ( -21.593 5.998 3.388) 22.665 4.321 ( -1.627 5.283 -6.022) 8.174 4.321 ( -1.627 5.283 6.022) 8.174 5.161 ( 1.756 9.664 -5.465) 11.241 5.161 ( 1.756 9.664 5.465) 11.241 5.609 ( -2.353 0.361 -11.932) 12.167 5.609 ( -2.353 0.361 11.932) 12.167 6.135 ( -0.332 -8.519 -1.507) 8.658 6.135 ( -0.332 -8.519 1.507) 8.658 6.417 ( -7.048 -6.832 -9.475) 13.643 6.417 ( -7.048 -6.832 9.475) 13.643 7.026 ( -10.792 0.853 -5.723) 12.246 7.026 ( -10.792 0.853 5.723) 12.246 7.418 ( -2.080 -6.784 -5.636) 9.062 7.418 ( -2.080 -6.784 5.636) 9.062 7.743 ( -1.442 4.132 -7.311) 8.521 7.743 ( -1.442 4.132 7.311) 8.521 8.083 ( -0.911 -5.084 -7.941) 9.473 8.083 ( -0.911 -5.084 7.941) 9.473 8.451 ( -2.146 6.678 -5.741) 9.064 8.451 ( -2.146 6.678 5.741) 9.064 9.195 ( 0.559 -8.236 -4.163) 9.245 9.195 ( 0.559 -8.236 4.163) 9.245 9.842 ( -11.340 8.846 -5.832) 15.520 9.842 ( -11.340 8.846 5.832) 15.520 10.257 ( -15.186 5.859 -6.334) 17.466 10.257 ( -15.186 5.859 6.334) 17.466 10.651 ( -12.868 4.993 -13.715) 19.458 10.651 ( -12.868 4.993 13.715) 19.458 10.981 ( -17.047 -7.950 -11.786) 22.197 10.981 ( -17.047 -7.950 11.786) 22.197 11.351 ( -10.246 9.975 -6.811) 15.839 11.351 ( -10.246 9.975 6.811) 15.839 11.798 ( -0.697 -13.866 -8.593) 16.328 11.798 ( -0.697 -13.866 8.593) 16.328 12.316 ( -8.747 -2.929 -9.302) 13.101 12.316 ( -8.747 -2.929 9.302) 13.101 12.998 ( 13.020 -4.387 -11.086) 17.654 12.998 ( 13.020 -4.387 11.086) 17.654 13.559 ( -3.263 0.710 -7.667) 8.362 13.559 ( -3.263 0.710 7.667) 8.362 13.783 ( 8.802 5.223 -11.440) 15.350 13.783 ( 8.802 5.223 11.440) 15.350 14.379 ( 13.942 4.309 -4.826) 15.370 14.379 ( 13.942 4.309 4.826) 15.370 14.670 ( -11.518 -10.648 -2.900) 15.951 14.670 ( -11.518 -10.648 2.900) 15.951 15.209 ( 8.766 -0.763 -6.285) 10.814 15.209 ( 8.766 -0.763 6.285) 10.814 16.149 ( 13.543 3.141 -4.009) 14.469 16.149 ( 13.543 3.141 4.009) 14.469 16.671 ( 7.210 11.231 -10.168) 16.778 16.671 ( 7.210 11.231 10.168) 16.778 17.107 ( 17.073 -2.910 -5.835) 18.275 17.107 ( 17.073 -2.910 5.835) 18.275 17.384 ( 14.281 0.297 -2.533) 14.507 17.384 ( 14.281 0.297 2.533) 14.507 18.097 ( -1.627 -1.191 -6.321) 6.635 18.097 ( -1.627 -1.191 6.321) 6.635 18.665 ( -1.006 -2.822 -3.948) 4.956 18.665 ( -1.006 -2.822 3.948) 4.956 19.658 ( -3.559 3.058 -5.381) 7.139 19.658 ( -3.559 3.058 5.381) 7.139 19.952 ( -1.687 -3.741 -4.074) 5.783 19.952 ( -1.687 -3.741 4.074) 5.783 20.379 ( 3.022 1.328 -8.918) 9.509 20.379 ( 3.022 1.328 8.918) 9.509 21.163 ( -1.691 -6.164 -7.166) 9.602 21.163 ( -1.691 -6.164 7.166) 9.602 21.758 ( -5.978 1.171 -8.554) 10.501 21.758 ( -5.978 1.171 8.554) 10.501 22.334 ( 4.961 2.077 -1.292) 5.531 22.334 ( 4.961 2.077 1.292) 5.531 23.596 ( 11.071 5.713 -16.508) 20.682 23.596 ( 11.071 5.713 16.508) 20.682 25.156 ( 3.485 -0.600 -3.193) 4.765 25.156 ( 3.485 -0.600 3.193) 4.765 26.095 ( 0.186 -1.211 -0.165) 1.237 26.095 ( 0.186 -1.211 0.165) 1.237 26.820 ( -9.053 -0.011 -3.052) 9.554 26.820 ( -9.053 -0.011 3.052) 9.554 27.496 ( -2.056 -1.546 -4.531) 5.210 27.496 ( -2.056 -1.546 4.531) 5.210 30.211 ( -1.991 0.376 -0.372) 2.060 30.211 ( -1.991 0.376 0.372) 2.060 39.025 ( -17.796 -1.005 -11.790) 21.370 39.025 ( -17.796 -1.005 11.790) 21.370 40.764 ( 10.624 0.187 -21.154) 23.673 40.764 ( 10.624 0.187 21.154) 23.673 ======================= Grid point 301 (92/100) ======================= q-point: (-0.44 0.22 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.279 ( -24.936 3.195 -15.397) 29.481 3.279 ( -24.936 3.195 15.397) 29.481 4.348 ( 4.705 13.723 -19.714) 24.477 4.348 ( 4.705 13.723 19.714) 24.477 5.019 ( -6.114 9.773 -13.985) 18.124 5.019 ( -6.114 9.773 13.985) 18.124 5.364 ( -22.535 0.779 -7.661) 23.814 5.364 ( -22.535 0.779 7.661) 23.814 5.846 ( -18.932 -10.180 -17.358) 27.629 5.846 ( -18.932 -10.180 17.358) 27.629 6.619 ( 4.816 0.103 -8.164) 9.479 6.619 ( 4.816 0.103 8.164) 9.479 6.938 ( 0.639 -12.198 -7.591) 14.381 6.938 ( 0.639 -12.198 7.591) 14.381 7.341 ( -7.137 7.345 -11.083) 15.090 7.341 ( -7.137 7.345 11.083) 15.090 7.678 ( -1.679 1.407 -4.344) 4.865 7.678 ( -1.679 1.407 4.344) 4.865 8.053 ( -6.154 -0.404 -5.251) 8.100 8.053 ( -6.154 -0.404 5.251) 8.100 8.458 ( 6.538 -0.599 -11.123) 12.916 8.458 ( 6.538 -0.599 11.123) 12.916 9.124 ( -10.927 -4.570 -3.477) 12.344 9.124 ( -10.927 -4.570 3.477) 12.344 9.605 ( -6.292 6.834 -8.588) 12.651 9.605 ( -6.292 6.834 8.588) 12.651 9.977 ( -7.018 5.003 -11.096) 14.050 9.977 ( -7.018 5.003 11.096) 14.050 10.395 ( -8.896 3.062 -11.321) 14.721 10.395 ( -8.896 3.062 11.321) 14.721 10.725 ( -15.112 -13.400 -11.532) 23.258 10.725 ( -15.112 -13.400 11.532) 23.258 11.214 ( -3.474 1.975 -7.859) 8.817 11.214 ( -3.474 1.975 7.859) 8.817 11.752 ( -13.884 -2.687 -5.102) 15.034 11.752 ( -13.884 -2.687 5.102) 15.034 12.225 ( 6.263 -6.896 -6.272) 11.230 12.225 ( 6.263 -6.896 6.272) 11.230 13.090 ( -4.129 0.131 -9.856) 10.686 13.090 ( -4.129 0.131 9.856) 10.686 13.432 ( -6.418 0.544 -13.315) 14.791 13.432 ( -6.418 0.544 13.315) 14.791 14.174 ( 14.767 -5.285 -7.309) 17.304 14.174 ( 14.767 -5.285 7.309) 17.304 14.336 ( -3.519 -6.017 -4.546) 8.323 14.336 ( -3.519 -6.017 4.546) 8.323 14.842 ( 19.021 4.316 -5.562) 20.282 14.842 ( 19.021 4.316 5.562) 20.282 15.366 ( 4.935 -1.045 -4.781) 6.950 15.366 ( 4.935 -1.045 4.781) 6.950 16.386 ( 13.209 6.463 -9.234) 17.364 16.386 ( 13.209 6.463 9.234) 17.364 16.758 ( 12.191 13.890 -8.906) 20.515 16.758 ( 12.191 13.890 8.906) 20.515 17.296 ( 3.394 -0.487 -6.834) 7.646 17.296 ( 3.394 -0.487 6.834) 7.646 17.747 ( 15.307 0.794 -1.925) 15.448 17.747 ( 15.307 0.794 1.925) 15.448 18.069 ( -0.463 -8.907 -5.791) 10.633 18.069 ( -0.463 -8.907 5.791) 10.633 18.691 ( 1.375 -1.969 -6.284) 6.727 18.691 ( 1.375 -1.969 6.284) 6.727 19.564 ( -1.647 7.973 -6.279) 10.282 19.564 ( -1.647 7.973 6.279) 10.282 19.982 ( -0.429 -6.992 -5.468) 8.887 19.982 ( -0.429 -6.992 5.468) 8.887 20.388 ( -1.247 -0.589 -6.722) 6.862 20.388 ( -1.247 -0.589 6.722) 6.862 21.172 ( -2.646 -8.573 -10.080) 13.494 21.172 ( -2.646 -8.573 10.080) 13.494 21.635 ( -6.585 0.183 -5.384) 8.508 21.635 ( -6.585 0.183 5.384) 8.508 22.399 ( 3.732 3.102 -4.377) 6.535 22.399 ( 3.732 3.102 4.377) 6.535 23.781 ( 14.615 13.702 -16.968) 26.254 23.781 ( 14.615 13.702 16.968) 26.254 25.240 ( 4.317 -0.562 -6.133) 7.521 25.240 ( 4.317 -0.562 6.133) 7.521 26.111 ( -0.209 -2.060 -1.381) 2.488 26.111 ( -0.209 -2.060 1.381) 2.488 26.617 ( -11.244 -0.487 -3.574) 11.808 26.617 ( -11.244 -0.487 3.574) 11.808 27.492 ( -0.001 -4.176 -5.807) 7.152 27.492 ( -0.001 -4.176 5.807) 7.152 30.167 ( -1.777 1.106 -0.639) 2.188 30.167 ( -1.777 1.106 0.639) 2.188 38.647 ( -20.808 -1.325 -8.074) 22.359 38.647 ( -20.808 -1.325 8.074) 22.359 40.980 ( 10.927 -0.103 -22.664) 25.161 40.980 ( 10.927 -0.103 22.664) 25.161 ======================= Grid point 303 (93/100) ======================= q-point: (-0.33 0.22 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.946 ( -8.229 -4.705 -28.877) 30.393 2.946 ( -8.229 -4.705 28.877) 30.393 4.066 ( -20.640 15.432 -34.080) 42.727 4.066 ( -20.640 15.432 34.080) 42.727 4.895 ( -5.739 3.692 -13.712) 15.316 4.895 ( -5.739 3.692 13.712) 15.316 4.995 ( -4.404 1.420 -7.717) 8.998 4.995 ( -4.404 1.420 7.717) 8.998 5.741 ( 1.021 -3.323 -14.030) 14.454 5.741 ( 1.021 -3.323 14.030) 14.454 6.407 ( -20.820 2.604 -13.556) 24.980 6.407 ( -20.820 2.604 13.556) 24.980 6.858 ( -11.111 12.984 -18.559) 25.229 6.858 ( -11.111 12.984 18.559) 25.229 7.306 ( 8.620 -0.195 -1.682) 8.785 7.306 ( 8.620 -0.195 1.682) 8.785 7.687 ( -3.878 -2.497 -3.783) 5.965 7.687 ( -3.878 -2.497 3.783) 5.965 7.988 ( 4.847 -1.403 -10.797) 11.918 7.988 ( 4.847 -1.403 10.797) 11.918 8.607 ( 3.582 -4.838 -8.559) 10.464 8.607 ( 3.582 -4.838 8.559) 10.464 8.997 ( -3.096 -2.229 -5.817) 6.956 8.997 ( -3.096 -2.229 5.817) 6.956 9.344 ( -14.143 6.802 -3.455) 16.069 9.344 ( -14.143 6.802 3.455) 16.069 9.970 ( 5.495 -0.950 -5.367) 7.740 9.970 ( 5.495 -0.950 5.367) 7.740 10.280 ( -2.441 1.064 -6.654) 7.167 10.280 ( -2.441 1.064 6.654) 7.167 10.644 ( -2.889 -14.504 -6.935) 16.334 10.644 ( -2.889 -14.504 6.935) 16.334 11.046 ( -15.002 -6.684 -9.229) 18.839 11.046 ( -15.002 -6.684 9.229) 18.839 11.606 ( -0.091 1.095 -3.590) 3.755 11.606 ( -0.091 1.095 3.590) 3.755 12.492 ( 12.022 -7.732 -8.909) 16.842 12.492 ( 12.022 -7.732 8.909) 16.842 12.948 ( -8.649 2.190 -12.620) 15.455 12.948 ( -8.649 2.190 12.620) 15.455 13.375 ( 0.551 -2.957 -14.616) 14.922 13.375 ( 0.551 -2.957 14.616) 14.922 13.992 ( -15.521 -7.981 -7.431) 18.969 13.992 ( -15.521 -7.981 7.431) 18.969 14.738 ( 17.568 0.076 -4.907) 18.240 14.738 ( 17.568 0.076 4.907) 18.240 15.122 ( 12.525 6.136 -9.146) 16.678 15.122 ( 12.525 6.136 9.146) 16.678 15.412 ( 0.365 -1.024 -2.563) 2.784 15.412 ( 0.365 -1.024 2.563) 2.784 16.555 ( 9.843 8.077 -9.549) 15.916 16.555 ( 9.843 8.077 9.549) 15.916 16.889 ( 6.036 6.834 -3.661) 9.826 16.889 ( 6.036 6.834 3.661) 9.826 17.325 ( 5.217 5.270 -5.847) 9.443 17.325 ( 5.217 5.270 5.847) 9.443 17.810 ( -8.138 -6.757 -4.790) 11.612 17.810 ( -8.138 -6.757 4.790) 11.612 18.279 ( 11.707 -1.993 -1.425) 11.961 18.279 ( 11.707 -1.993 1.425) 11.961 18.754 ( 3.136 -3.715 -7.827) 9.214 18.754 ( 3.136 -3.715 7.827) 9.214 19.511 ( 3.542 7.962 -6.445) 10.839 19.511 ( 3.542 7.962 6.445) 10.839 19.970 ( -6.911 -5.273 -5.683) 10.386 19.970 ( -6.911 -5.273 5.683) 10.386 20.366 ( -1.463 -2.671 -3.191) 4.411 20.366 ( -1.463 -2.671 3.191) 4.411 21.218 ( 1.187 -9.842 -8.506) 13.063 21.218 ( 1.187 -9.842 8.506) 13.063 21.497 ( -7.972 -2.175 -3.801) 9.095 21.497 ( -7.972 -2.175 3.801) 9.095 22.429 ( 1.882 3.751 -7.024) 8.182 22.429 ( 1.882 3.751 7.024) 8.182 23.916 ( 11.177 21.444 -17.921) 30.098 23.916 ( 11.177 21.444 17.921) 30.098 25.320 ( 3.375 0.256 -9.529) 10.112 25.320 ( 3.375 0.256 9.529) 10.112 26.094 ( -3.032 -0.902 -1.270) 3.409 26.094 ( -3.032 -0.902 1.270) 3.409 26.436 ( -6.860 -1.828 -1.353) 7.227 26.436 ( -6.860 -1.828 1.353) 7.227 27.564 ( 2.435 -7.924 -5.669) 10.043 27.564 ( 2.435 -7.924 5.669) 10.043 30.130 ( -0.795 1.987 -1.103) 2.408 30.130 ( -0.795 1.987 1.103) 2.408 38.286 ( -15.387 -0.600 -3.435) 15.778 38.286 ( -15.387 -0.600 3.435) 15.778 41.165 ( 7.120 -0.740 -23.359) 24.431 41.165 ( 7.120 -0.740 23.359) 24.431 ======================= Grid point 305 (94/100) ======================= q-point: (-0.22 0.22 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.972 ( 0.000 -10.831 -37.425) 38.961 2.972 ( 0.000 -10.831 37.425) 38.961 3.700 ( -0.000 7.956 -39.278) 40.076 3.700 ( -0.000 7.956 39.278) 40.076 4.744 ( -0.000 11.676 -18.454) 21.838 4.744 ( -0.000 11.676 18.454) 21.838 5.008 ( -0.000 1.025 -6.216) 6.299 5.008 ( -0.000 1.025 6.216) 6.299 5.895 ( -0.000 8.616 -43.875) 44.713 5.895 ( -0.000 8.616 43.875) 44.713 5.998 ( 0.000 -6.681 -8.235) 10.605 5.998 ( 0.000 -6.681 8.235) 10.605 6.626 ( -0.000 18.583 -24.263) 30.562 6.626 ( -0.000 18.583 24.263) 30.562 7.430 ( 0.000 -1.927 -12.332) 12.482 7.430 ( 0.000 -1.927 12.332) 12.482 7.598 ( 0.000 -0.408 -3.113) 3.140 7.598 ( 0.000 -0.408 3.113) 3.140 8.118 ( 0.000 -3.425 -9.483) 10.082 8.118 ( 0.000 -3.425 9.483) 10.082 8.675 ( 0.000 -7.472 -9.011) 11.706 8.675 ( 0.000 -7.472 9.011) 11.706 9.019 ( -0.000 3.171 -12.661) 13.052 9.019 ( -0.000 3.171 12.661) 13.052 9.090 ( -0.000 4.470 -6.543) 7.925 9.090 ( -0.000 4.470 6.543) 7.925 10.070 ( 0.000 -3.060 -13.805) 14.140 10.070 ( 0.000 -3.060 13.805) 14.140 10.250 ( 0.000 -0.075 -10.105) 10.105 10.250 ( 0.000 -0.075 10.105) 10.105 10.767 ( 0.000 -1.180 -6.022) 6.137 10.767 ( 0.000 -1.180 6.022) 6.137 10.898 ( 0.000 -20.235 -12.173) 23.615 10.898 ( 0.000 -20.235 12.173) 23.615 11.632 ( 0.000 -3.461 -3.915) 5.225 11.632 ( 0.000 -3.461 3.915) 5.225 12.734 ( 0.000 -8.836 -13.945) 16.508 12.734 ( 0.000 -8.836 13.945) 16.508 12.769 ( -0.000 4.942 -15.613) 16.377 12.769 ( -0.000 4.942 15.613) 16.377 13.440 ( 0.000 -2.871 -15.182) 15.451 13.440 ( 0.000 -2.871 15.182) 15.451 13.866 ( 0.000 -7.740 -9.379) 12.161 13.866 ( 0.000 -7.740 9.379) 12.161 14.865 ( -0.000 8.084 -4.511) 9.258 14.865 ( -0.000 8.084 4.511) 9.258 15.196 ( -0.000 8.651 -13.685) 16.190 15.196 ( -0.000 8.651 13.685) 16.190 15.456 ( 0.000 -8.929 -6.717) 11.174 15.456 ( 0.000 -8.929 6.717) 11.174 16.606 ( -0.000 9.833 -7.017) 12.080 16.606 ( -0.000 9.833 7.017) 12.080 16.890 ( 0.000 -1.661 -3.292) 3.687 16.890 ( 0.000 -1.661 3.292) 3.687 17.506 ( 0.000 -1.384 -1.810) 2.279 17.506 ( 0.000 -1.384 1.810) 2.279 17.585 ( -0.000 7.997 -7.372) 10.876 17.585 ( -0.000 7.997 7.372) 10.876 18.406 ( -0.000 1.637 -3.866) 4.198 18.406 ( -0.000 1.637 3.866) 4.198 18.848 ( 0.000 -10.284 -7.832) 12.927 18.848 ( 0.000 -10.284 7.832) 12.927 19.553 ( -0.000 5.148 -7.900) 9.429 19.553 ( -0.000 5.148 7.900) 9.429 19.861 ( 0.000 -2.179 -5.635) 6.041 19.861 ( 0.000 -2.179 5.635) 6.041 20.378 ( 0.000 -3.643 -2.427) 4.377 20.378 ( 0.000 -3.643 2.427) 4.377 21.373 ( 0.000 -15.874 -9.415) 18.456 21.373 ( 0.000 -15.874 9.415) 18.456 21.376 ( -0.000 1.111 -3.562) 3.731 21.376 ( -0.000 1.111 3.562) 3.731 22.414 ( -0.000 5.778 -8.407) 10.201 22.414 ( -0.000 5.778 8.407) 10.201 23.857 ( -0.000 24.251 -16.493) 29.328 23.857 ( -0.000 24.251 16.493) 29.328 25.350 ( -0.000 1.056 -11.477) 11.526 25.350 ( -0.000 1.056 11.477) 11.526 26.050 ( 0.000 -0.013 -0.244) 0.244 26.050 ( 0.000 -0.013 0.244) 0.244 26.390 ( 0.000 -2.272 -1.701) 2.838 26.390 ( 0.000 -2.272 1.701) 2.838 27.665 ( 0.000 -9.734 -4.449) 10.703 27.665 ( 0.000 -9.734 4.449) 10.703 30.106 ( -0.000 2.467 -1.171) 2.731 30.106 ( -0.000 2.467 1.171) 2.731 38.125 ( -0.000 0.087 -0.683) 0.688 38.125 ( -0.000 0.087 0.683) 0.688 41.245 ( 0.000 -1.133 -21.797) 21.826 41.245 ( 0.000 -1.133 21.797) 21.826 ======================= Grid point 315 (95/100) ======================= q-point: (-0.67 0.33 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.879 ( -21.604 -0.000 -3.288) 21.853 3.879 ( -21.604 -0.000 3.288) 21.853 4.362 ( -1.395 -0.000 -0.932) 1.678 4.362 ( -1.395 -0.000 0.932) 1.678 5.242 ( 4.126 0.000 -3.149) 5.190 5.242 ( 4.126 0.000 3.149) 5.190 5.615 ( -2.758 -0.000 -13.402) 13.682 5.615 ( -2.758 -0.000 13.402) 13.683 6.051 ( 7.423 0.000 -1.810) 7.640 6.051 ( 7.423 0.000 1.810) 7.640 6.368 ( -17.219 -0.000 -2.914) 17.464 6.368 ( -17.219 -0.000 2.914) 17.464 7.037 ( -13.767 -0.000 -4.649) 14.531 7.037 ( -13.767 -0.000 4.649) 14.531 7.364 ( 1.655 0.000 -2.510) 3.007 7.364 ( 1.655 0.000 2.510) 3.007 7.788 ( 2.650 0.000 -7.194) 7.667 7.788 ( 2.650 0.000 7.194) 7.667 8.032 ( -4.280 -0.000 -7.943) 9.022 8.032 ( -4.280 -0.000 7.943) 9.022 8.514 ( -0.971 -0.000 -5.021) 5.114 8.514 ( -0.971 -0.000 5.021) 5.114 9.119 ( 0.424 0.000 -5.315) 5.332 9.119 ( 0.424 0.000 5.315) 5.332 9.920 ( -10.351 -0.000 -0.111) 10.352 9.920 ( -10.351 -0.000 0.111) 10.352 10.298 ( -17.850 -0.000 -0.937) 17.874 10.298 ( -17.850 -0.000 0.937) 17.874 10.680 ( -12.064 -0.000 -14.718) 19.031 10.680 ( -12.064 -0.000 14.718) 19.031 10.926 ( -21.348 -0.000 -9.556) 23.389 10.926 ( -21.348 -0.000 9.556) 23.389 11.490 ( -9.161 -0.000 -0.116) 9.162 11.490 ( -9.161 -0.000 0.116) 9.162 11.631 ( -0.585 -0.000 -6.648) 6.673 11.631 ( -0.585 -0.000 6.648) 6.673 12.291 ( -5.359 -0.000 -12.658) 13.746 12.291 ( -5.359 -0.000 12.658) 13.746 12.961 ( 13.722 0.000 -9.398) 16.632 12.961 ( 13.722 0.000 9.398) 16.632 13.563 ( -1.799 -0.000 -1.019) 2.068 13.563 ( -1.799 -0.000 1.019) 2.068 13.839 ( 2.836 0.000 -12.866) 13.175 13.839 ( 2.836 0.000 12.866) 13.175 14.426 ( 16.490 0.000 -5.820) 17.486 14.426 ( 16.490 0.000 5.820) 17.486 14.566 ( -12.025 -0.000 -0.556) 12.038 14.566 ( -12.025 -0.000 0.556) 12.038 15.202 ( 8.927 0.000 -5.911) 10.706 15.202 ( 8.927 0.000 5.911) 10.706 16.169 ( 14.100 0.000 -3.885) 14.625 16.169 ( 14.100 0.000 3.885) 14.625 16.771 ( 8.093 0.000 -0.313) 8.099 16.771 ( 8.093 0.000 0.313) 8.099 17.076 ( 16.698 0.000 -4.140) 17.203 17.076 ( 16.698 0.000 4.140) 17.203 17.386 ( 14.594 0.000 -2.868) 14.873 17.386 ( 14.594 0.000 2.868) 14.873 18.086 ( -2.807 -0.000 -3.987) 4.876 18.086 ( -2.807 -0.000 3.987) 4.876 18.645 ( -1.065 -0.000 -2.695) 2.897 18.645 ( -1.065 -0.000 2.695) 2.897 19.685 ( -1.353 -0.000 -2.694) 3.014 19.685 ( -1.353 -0.000 2.694) 3.014 19.920 ( -3.362 -0.000 -3.283) 4.700 19.920 ( -3.362 -0.000 3.283) 4.700 20.390 ( 2.429 0.000 -9.930) 10.223 20.390 ( 2.429 0.000 9.930) 10.223 21.115 ( -1.965 -0.000 -5.207) 5.565 21.115 ( -1.965 -0.000 5.207) 5.565 21.768 ( -6.302 -0.000 -8.245) 10.378 21.768 ( -6.302 -0.000 8.245) 10.378 22.349 ( 5.079 0.000 -0.932) 5.164 22.349 ( 5.079 0.000 0.932) 5.164 23.641 ( 12.849 0.000 -18.894) 22.849 23.641 ( 12.849 0.000 18.894) 22.849 25.151 ( 3.425 0.000 -1.771) 3.856 25.151 ( 3.425 0.000 1.771) 3.856 26.086 ( -0.139 -0.000 -0.084) 0.162 26.086 ( -0.139 -0.000 0.084) 0.162 26.820 ( -9.158 -0.000 -3.251) 9.718 26.820 ( -9.158 -0.000 3.251) 9.718 27.484 ( -2.488 -0.000 -4.213) 4.893 27.484 ( -2.488 -0.000 4.213) 4.893 30.214 ( -1.852 -0.000 -0.187) 1.862 30.214 ( -1.852 -0.000 0.187) 1.862 39.017 ( -17.905 -0.000 -11.522) 21.292 39.017 ( -17.905 -0.000 11.522) 21.292 40.765 ( 10.572 0.000 -21.531) 23.987 40.765 ( 10.572 0.000 21.531) 23.987 ======================= Grid point 319 (96/100) ======================= q-point: (-0.56 0.33 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.324 ( -27.794 2.067 -7.401) 28.836 3.324 ( -27.794 2.067 7.401) 28.836 4.493 ( 10.781 5.197 -15.446) 19.540 4.493 ( 10.781 5.197 15.446) 19.540 5.152 ( -11.936 6.516 -10.868) 17.408 5.152 ( -11.936 6.516 10.868) 17.408 5.364 ( -26.696 -0.684 -12.694) 29.569 5.364 ( -26.696 -0.684 12.694) 29.569 5.720 ( -17.660 -5.415 -16.867) 25.014 5.720 ( -17.660 -5.415 16.867) 25.014 6.578 ( 21.610 -3.481 -3.660) 22.192 6.578 ( 21.610 -3.481 3.660) 22.192 6.836 ( -10.322 -2.248 -5.250) 11.796 6.836 ( -10.322 -2.248 5.250) 11.796 7.401 ( 1.823 1.240 -8.328) 8.615 7.401 ( 1.823 1.240 8.328) 8.615 7.783 ( -3.365 11.267 -10.297) 15.630 7.783 ( -3.365 11.267 10.297) 15.630 7.967 ( -3.875 -10.172 -7.641) 13.299 7.967 ( -3.875 -10.172 7.641) 13.299 8.490 ( 0.723 3.051 -6.773) 7.463 8.490 ( 0.723 3.051 6.773) 7.463 9.038 ( -9.415 -4.740 -5.908) 12.084 9.038 ( -9.415 -4.740 5.908) 12.084 9.722 ( -5.996 6.946 -4.077) 10.041 9.722 ( -5.996 6.946 4.077) 10.041 10.004 ( -10.980 -1.206 -6.037) 12.588 10.004 ( -10.980 -1.206 6.037) 12.588 10.373 ( -16.030 -3.578 -12.438) 20.602 10.373 ( -16.030 -3.578 12.438) 20.602 10.621 ( -11.041 -1.557 -10.233) 15.134 10.621 ( -11.041 -1.557 10.233) 15.134 11.283 ( -11.416 5.182 -5.087) 13.530 11.283 ( -11.416 5.182 5.087) 13.530 11.692 ( -1.271 -4.284 -1.894) 4.853 11.692 ( -1.271 -4.284 1.894) 4.853 12.151 ( 1.109 -2.592 -9.776) 10.174 12.151 ( 1.109 -2.592 9.776) 10.174 13.075 ( -3.608 -1.212 -5.153) 6.406 13.075 ( -3.608 -1.212 5.153) 6.406 13.446 ( -7.484 0.908 -5.532) 9.351 13.446 ( -7.484 0.908 5.532) 9.351 14.122 ( 7.786 -1.769 -8.164) 11.419 14.122 ( 7.786 -1.769 8.164) 11.419 14.272 ( 1.742 -2.298 -7.349) 7.894 14.272 ( 1.742 -2.298 7.349) 7.894 14.893 ( 23.103 2.037 -7.034) 24.236 14.893 ( 23.103 2.037 7.034) 24.236 15.351 ( 4.596 -0.744 -5.180) 6.965 15.351 ( 4.596 -0.744 5.180) 6.965 16.451 ( 14.008 2.247 -12.169) 18.691 16.451 ( 14.008 2.247 12.169) 18.691 16.922 ( 9.817 6.826 -4.692) 12.844 16.922 ( 9.817 6.826 4.692) 12.844 17.276 ( 6.322 -1.574 -4.168) 7.734 17.276 ( 6.322 -1.574 4.168) 7.734 17.762 ( 13.334 0.877 -1.413) 13.438 17.762 ( 13.334 0.877 1.413) 13.438 17.963 ( -3.052 -4.306 -4.899) 7.201 17.963 ( -3.052 -4.306 4.899) 7.201 18.678 ( 3.277 -0.249 -6.031) 6.868 18.678 ( 3.277 -0.249 6.031) 6.868 19.668 ( 0.189 5.078 -4.206) 6.597 19.668 ( 0.189 5.078 4.206) 6.597 19.890 ( -0.923 -4.510 -3.089) 5.544 19.890 ( -0.923 -4.510 3.089) 5.544 20.381 ( -2.497 -0.256 -8.094) 8.474 20.381 ( -2.497 -0.256 8.094) 8.474 21.079 ( -2.814 -3.469 -8.910) 9.967 21.079 ( -2.814 -3.469 8.910) 9.967 21.638 ( -7.283 0.186 -4.704) 8.672 21.638 ( -7.283 0.186 4.704) 8.672 22.427 ( 3.186 0.830 -2.464) 4.112 22.427 ( 3.186 0.830 2.464) 4.112 23.931 ( 17.999 5.574 -21.534) 28.614 23.931 ( 17.999 5.574 21.534) 28.614 25.232 ( 4.471 -0.364 -3.539) 5.713 25.232 ( 4.471 -0.364 3.539) 5.713 26.086 ( -0.326 -1.029 -1.363) 1.739 26.086 ( -0.326 -1.029 1.363) 1.739 26.612 ( -11.588 -0.141 -4.181) 12.320 26.612 ( -11.588 -0.141 4.181) 12.320 27.448 ( -1.324 -1.573 -7.075) 7.368 27.448 ( -1.324 -1.573 7.075) 7.368 30.179 ( -1.465 0.402 -0.656) 1.655 30.179 ( -1.465 0.402 0.656) 1.655 38.633 ( -20.523 -0.496 -7.489) 21.852 38.633 ( -20.523 -0.496 7.489) 21.852 40.979 ( 10.668 -0.034 -24.013) 26.276 40.979 ( 10.668 -0.034 24.013) 26.276 ======================= Grid point 321 (97/100) ======================= q-point: (-0.44 0.33 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.909 ( -12.445 -0.928 -17.758) 21.705 2.909 ( -12.445 -0.928 17.758) 21.705 4.267 ( -30.294 10.928 -24.344) 40.370 4.267 ( -30.294 10.928 24.344) 40.370 4.905 ( 3.241 -1.971 -14.212) 14.710 4.905 ( 3.241 -1.971 14.212) 14.710 5.037 ( -6.350 3.755 -10.289) 12.660 5.037 ( -6.350 3.755 10.289) 12.660 5.685 ( 4.326 -3.617 -9.932) 11.421 5.685 ( 4.326 -3.617 9.932) 11.421 6.434 ( -23.907 1.156 -8.900) 25.536 6.434 ( -23.907 1.156 8.900) 25.536 6.966 ( 6.095 1.674 -9.425) 11.348 6.966 ( 6.095 1.674 9.425) 11.348 7.413 ( 6.288 12.014 -9.871) 16.773 7.413 ( 6.288 12.014 9.871) 16.773 7.667 ( -2.297 1.596 -2.073) 3.482 7.667 ( -2.297 1.596 2.073) 3.482 7.957 ( 1.110 -4.314 -11.429) 12.267 7.957 ( 1.110 -4.314 11.429) 12.267 8.503 ( -4.360 -7.613 -3.183) 9.333 8.503 ( -4.360 -7.613 3.183) 9.333 8.964 ( 2.166 -1.876 -11.448) 11.801 8.964 ( 2.166 -1.876 11.448) 11.801 9.455 ( -14.989 7.802 -3.829) 17.327 9.455 ( -14.989 7.802 3.829) 17.327 9.957 ( 3.020 -1.486 -5.232) 6.221 9.957 ( 3.020 -1.486 5.232) 6.221 10.192 ( -8.679 -11.181 -7.308) 15.930 10.192 ( -8.679 -11.181 7.308) 15.930 10.522 ( 0.592 -1.468 -9.459) 9.590 10.522 ( 0.592 -1.468 9.459) 9.590 10.976 ( -17.023 -2.901 -8.211) 19.121 10.976 ( -17.023 -2.901 8.211) 19.121 11.678 ( 2.163 7.310 -6.527) 10.036 11.678 ( 2.163 7.310 6.527) 10.036 12.359 ( 10.920 -9.723 -7.378) 16.377 12.359 ( 10.920 -9.723 7.378) 16.377 12.969 ( -6.804 0.490 -13.708) 15.312 12.969 ( -6.804 0.490 13.708) 15.312 13.331 ( -2.896 -1.958 -8.307) 9.012 13.331 ( -2.896 -1.958 8.307) 9.012 13.885 ( -15.013 -5.833 -5.855) 17.138 13.885 ( -15.013 -5.833 5.855) 17.138 14.736 ( 22.742 0.014 -6.581) 23.675 14.736 ( 22.742 0.014 6.581) 23.675 15.208 ( 9.048 5.233 -5.224) 11.685 15.208 ( 9.048 5.233 5.224) 11.685 15.403 ( 2.412 -0.929 -5.029) 5.654 15.403 ( 2.412 -0.929 5.029) 5.654 16.660 ( 10.705 5.352 -11.778) 16.792 16.660 ( 10.705 5.352 11.778) 16.792 16.981 ( -0.930 5.296 -1.676) 5.632 16.981 ( -0.930 5.296 1.676) 5.632 17.387 ( 5.994 3.256 -4.982) 8.447 17.387 ( 5.994 3.256 4.982) 8.447 17.695 ( -7.975 -7.765 -3.276) 11.603 17.695 ( -7.975 -7.765 3.276) 11.603 18.249 ( 15.999 -1.435 -2.545) 16.264 18.249 ( 15.999 -1.435 2.545) 16.264 18.736 ( 1.707 0.202 -8.512) 8.683 18.736 ( 1.707 0.202 8.512) 8.683 19.630 ( 2.353 7.399 -4.719) 9.085 19.630 ( 2.353 7.399 4.719) 9.085 19.899 ( -3.601 -4.011 -5.397) 7.627 19.899 ( -3.601 -4.011 5.397) 7.627 20.332 ( -2.472 -1.923 -4.753) 5.692 20.332 ( -2.472 -1.923 4.753) 5.692 21.080 ( -0.732 -7.616 -8.635) 11.537 21.080 ( -0.732 -7.616 8.635) 11.537 21.486 ( -7.599 -0.033 -3.170) 8.234 21.486 ( -7.599 -0.033 3.170) 8.234 22.461 ( 1.177 1.009 -4.552) 4.809 22.461 ( 1.177 1.009 4.552) 4.809 24.189 ( 13.939 14.062 -23.908) 31.042 24.189 ( 13.939 14.062 23.908) 31.042 25.319 ( 3.888 -0.227 -7.383) 8.347 25.319 ( 3.888 -0.227 7.383) 8.347 26.077 ( -1.794 -1.169 -1.246) 2.477 26.077 ( -1.794 -1.169 1.246) 2.477 26.411 ( -8.268 -1.365 -1.997) 8.614 26.411 ( -8.268 -1.365 1.997) 8.614 27.467 ( 0.813 -4.780 -8.700) 9.960 27.467 ( 0.813 -4.780 8.700) 9.960 30.154 ( -0.530 1.115 -1.260) 1.764 30.154 ( -0.530 1.115 1.260) 1.764 38.279 ( -14.678 -0.354 -3.043) 14.994 38.279 ( -14.678 -0.354 3.043) 14.994 41.156 ( 6.792 -0.417 -26.119) 26.990 41.156 ( 6.792 -0.417 26.119) 26.990 ======================= Grid point 323 (98/100) ======================= q-point: (-0.33 0.33 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.844 ( 0.000 -6.219 -27.928) 28.612 2.844 ( 0.000 -6.219 27.928) 28.612 3.822 ( -0.000 7.891 -27.968) 29.060 3.822 ( -0.000 7.891 27.968) 29.060 4.897 ( -0.000 8.572 -19.033) 20.874 4.897 ( -0.000 8.572 19.033) 20.874 5.016 ( 0.000 -0.030 -7.165) 7.165 5.016 ( 0.000 -0.030 7.165) 7.165 5.903 ( 0.000 -5.628 -9.402) 10.958 5.903 ( 0.000 -5.628 9.402) 10.958 5.995 ( -0.000 4.657 -31.739) 32.079 5.995 ( -0.000 4.657 31.739) 32.079 6.908 ( -0.000 16.973 -20.938) 26.954 6.908 ( -0.000 16.973 20.938) 26.954 7.462 ( -0.000 7.664 -12.583) 14.733 7.462 ( -0.000 7.664 12.583) 14.733 7.588 ( 0.000 -0.851 -1.316) 1.567 7.588 ( 0.000 -0.851 1.316) 1.567 8.072 ( 0.000 -2.482 -6.915) 7.347 8.072 ( 0.000 -2.482 6.915) 7.347 8.496 ( 0.000 -16.372 -6.025) 17.445 8.496 ( 0.000 -16.372 6.025) 17.445 9.089 ( -0.000 6.087 -16.816) 17.884 9.089 ( -0.000 6.087 16.816) 17.884 9.152 ( -0.000 3.546 -5.527) 6.566 9.152 ( -0.000 3.546 5.527) 6.566 10.030 ( 0.000 -2.071 -11.250) 11.439 10.030 ( 0.000 -2.071 11.250) 11.439 10.178 ( 0.000 -10.806 -9.008) 14.069 10.178 ( 0.000 -10.806 9.008) 14.069 10.651 ( 0.000 -10.350 -13.454) 16.974 10.651 ( 0.000 -10.350 13.454) 16.974 10.746 ( 0.000 -1.537 -4.509) 4.763 10.746 ( 0.000 -1.537 4.509) 4.763 11.652 ( -0.000 6.134 -6.283) 8.781 11.652 ( -0.000 6.134 6.283) 8.781 12.586 ( 0.000 -11.607 -12.486) 17.048 12.586 ( 0.000 -11.607 12.486) 17.048 12.845 ( -0.000 4.814 -20.225) 20.790 12.845 ( -0.000 4.814 20.225) 20.790 13.362 ( 0.000 -6.511 -11.654) 13.349 13.362 ( 0.000 -6.511 11.654) 13.349 13.759 ( 0.000 -6.295 -9.112) 11.075 13.759 ( 0.000 -6.295 9.112) 11.075 14.974 ( -0.000 6.198 -3.784) 7.262 14.974 ( -0.000 6.198 3.784) 7.262 15.217 ( 0.000 -2.181 -12.269) 12.461 15.217 ( 0.000 -2.181 12.269) 12.461 15.448 ( -0.000 3.827 -7.527) 8.444 15.448 ( -0.000 3.827 7.527) 8.444 16.771 ( -0.000 11.530 -9.856) 15.168 16.771 ( -0.000 11.530 9.856) 15.168 16.865 ( 0.000 -1.490 -2.392) 2.818 16.865 ( 0.000 -1.490 2.392) 2.818 17.486 ( 0.000 -1.225 -1.905) 2.264 17.486 ( 0.000 -1.225 1.905) 2.264 17.626 ( 0.000 -2.077 -4.632) 5.077 17.626 ( 0.000 -2.077 4.632) 5.077 18.430 ( -0.000 1.427 -4.213) 4.448 18.430 ( -0.000 1.427 4.213) 4.448 18.748 ( 0.000 -3.299 -9.655) 10.203 18.748 ( 0.000 -3.299 9.655) 10.203 19.646 ( -0.000 7.149 -7.059) 10.047 19.646 ( -0.000 7.149 7.059) 10.047 19.830 ( 0.000 -1.911 -7.086) 7.339 19.830 ( 0.000 -1.911 7.086) 7.339 20.329 ( 0.000 -3.038 -3.437) 4.587 20.329 ( 0.000 -3.038 3.437) 4.587 21.160 ( 0.000 -12.481 -8.207) 14.938 21.160 ( 0.000 -12.481 8.207) 14.938 21.392 ( -0.000 0.946 -2.885) 3.036 21.392 ( -0.000 0.946 2.885) 3.036 22.463 ( -0.000 1.537 -6.200) 6.388 22.463 ( -0.000 1.537 6.200) 6.388 24.203 ( -0.000 20.650 -23.752) 31.474 24.203 ( -0.000 20.650 23.752) 31.474 25.362 ( -0.000 0.458 -10.171) 10.181 25.362 ( -0.000 0.458 10.171) 10.181 26.049 ( 0.000 -0.011 -0.237) 0.238 26.049 ( 0.000 -0.011 0.237) 0.238 26.349 ( 0.000 -3.056 -0.936) 3.196 26.349 ( 0.000 -3.056 0.936) 3.196 27.529 ( 0.000 -7.872 -7.980) 11.209 27.529 ( 0.000 -7.872 7.980) 11.209 30.139 ( -0.000 1.776 -1.447) 2.291 30.139 ( -0.000 1.776 1.447) 2.291 38.126 ( -0.000 0.077 -0.696) 0.700 38.126 ( -0.000 0.077 0.696) 0.700 41.230 ( 0.000 -0.842 -26.057) 26.071 41.230 ( 0.000 -0.842 26.057) 26.071 ======================= Grid point 337 (99/100) ======================= q-point: (-0.56 0.44 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.904 ( -14.226 -0.000 -9.503) 17.109 2.904 ( -14.226 -0.000 9.503) 17.109 4.356 ( -36.347 -0.000 -3.179) 36.485 4.356 ( -36.347 -0.000 3.179) 36.485 4.881 ( 8.377 0.000 -1.626) 8.533 4.881 ( 8.377 0.000 1.626) 8.533 5.070 ( -6.684 -0.000 -9.354) 11.496 5.070 ( -6.684 -0.000 9.354) 11.496 5.655 ( 5.639 0.000 -7.451) 9.344 5.655 ( 5.639 0.000 7.451) 9.344 6.442 ( -24.854 -0.000 -1.031) 24.876 6.442 ( -24.854 -0.000 1.031) 24.876 6.969 ( 13.091 0.000 -5.016) 14.020 6.969 ( 13.091 0.000 5.016) 14.020 7.509 ( 7.436 0.000 -7.558) 10.602 7.509 ( 7.436 0.000 7.558) 10.602 7.749 ( -4.112 -0.000 -12.463) 13.124 7.749 ( -4.112 -0.000 12.463) 13.124 7.869 ( 1.764 0.000 -23.258) 23.325 7.869 ( 1.764 0.000 23.258) 23.325 8.438 ( -10.520 -0.000 -2.872) 10.905 8.438 ( -10.520 -0.000 2.872) 10.905 8.949 ( 5.755 0.000 -12.711) 13.953 8.949 ( 5.755 0.000 12.711) 13.953 9.531 ( -16.841 -0.000 -3.905) 17.288 9.531 ( -16.841 -0.000 3.905) 17.288 9.927 ( 2.574 0.000 -0.817) 2.700 9.927 ( 2.574 0.000 0.817) 2.700 10.097 ( -8.963 -0.000 -9.521) 13.076 10.097 ( -8.963 -0.000 9.521) 13.076 10.521 ( 0.034 0.000 -10.673) 10.673 10.521 ( 0.034 0.000 10.673) 10.673 10.956 ( -17.992 -0.000 -7.228) 19.390 10.956 ( -17.992 -0.000 7.228) 19.390 11.754 ( 4.753 0.000 -8.201) 9.479 11.754 ( 4.753 0.000 8.201) 9.479 12.265 ( 8.925 0.000 -2.020) 9.150 12.265 ( 8.925 0.000 2.020) 9.150 12.970 ( -5.150 -0.000 -11.173) 12.302 12.970 ( -5.150 -0.000 11.173) 12.302 13.320 ( -4.874 -0.000 -0.902) 4.956 13.320 ( -4.874 -0.000 0.902) 4.956 13.839 ( -14.525 -0.000 -3.647) 14.976 13.839 ( -14.525 -0.000 3.647) 14.976 14.737 ( 24.071 0.000 -6.989) 25.065 14.737 ( 24.071 0.000 6.989) 25.065 15.254 ( 7.459 0.000 -4.601) 8.764 15.254 ( 7.459 0.000 4.601) 8.764 15.390 ( 3.908 0.000 -7.180) 8.174 15.390 ( 3.908 0.000 7.180) 8.174 16.701 ( 10.537 0.000 -12.427) 16.293 16.701 ( 10.537 0.000 12.427) 16.293 17.025 ( -2.563 -0.000 -0.937) 2.729 17.025 ( -2.563 -0.000 0.937) 2.729 17.415 ( 6.769 0.000 -2.483) 7.210 17.415 ( 6.769 0.000 2.483) 7.210 17.626 ( -9.084 -0.000 -3.299) 9.664 17.626 ( -9.084 -0.000 3.299) 9.664 18.239 ( 17.349 0.000 -3.392) 17.677 18.239 ( 17.349 0.000 3.392) 17.677 18.739 ( 1.535 0.000 -8.768) 8.901 18.739 ( 1.535 0.000 8.768) 8.901 19.696 ( 1.370 0.000 -1.965) 2.395 19.696 ( 1.370 0.000 1.965) 2.395 19.864 ( -1.247 -0.000 -4.083) 4.269 19.864 ( -1.247 -0.000 4.083) 4.269 20.316 ( -3.117 -0.000 -5.491) 6.314 20.316 ( -3.117 -0.000 5.491) 6.314 21.020 ( -1.592 -0.000 -8.133) 8.288 21.020 ( -1.592 -0.000 8.133) 8.288 21.486 ( -7.420 -0.000 -2.840) 7.945 21.486 ( -7.420 -0.000 2.840) 7.945 22.468 ( 0.916 0.000 -2.899) 3.041 22.468 ( 0.916 0.000 2.899) 3.041 24.299 ( 14.984 0.000 -26.190) 30.173 24.299 ( 14.984 0.000 26.190) 30.173 25.317 ( 4.041 0.000 -5.826) 7.090 25.317 ( 4.041 0.000 5.826) 7.090 26.067 ( -1.188 -0.000 -1.248) 1.723 26.067 ( -1.188 -0.000 1.248) 1.723 26.400 ( -9.018 -0.000 -2.249) 9.295 26.400 ( -9.018 -0.000 2.249) 9.295 27.431 ( 0.211 0.000 -9.921) 9.923 27.431 ( 0.211 0.000 9.921) 9.923 30.162 ( -0.446 -0.000 -1.287) 1.362 30.162 ( -0.446 -0.000 1.287) 1.362 38.276 ( -14.412 -0.000 -2.902) 14.701 38.276 ( -14.412 -0.000 2.902) 14.701 41.153 ( 6.674 0.000 -26.957) 27.771 41.153 ( 6.674 0.000 26.957) 27.771 ======================= Grid point 341 (100/100) ======================= q-point: (-0.44 0.44 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.786 ( 0.000 -1.844 -15.353) 15.463 2.786 ( 0.000 -1.844 15.353) 15.463 3.911 ( -0.000 3.453 -11.358) 11.872 3.911 ( -0.000 3.453 11.358) 11.872 4.987 ( -0.000 3.219 -15.040) 15.381 4.987 ( -0.000 3.219 15.040) 15.381 5.010 ( 0.000 -0.420 -6.204) 6.218 5.010 ( 0.000 -0.420 6.204) 6.218 5.844 ( 0.000 -2.098 -9.249) 9.484 5.844 ( 0.000 -2.098 9.249) 9.484 6.036 ( -0.000 1.141 -16.394) 16.434 6.036 ( -0.000 1.141 16.394) 16.434 7.070 ( -0.000 4.871 -11.640) 12.618 7.070 ( -0.000 4.871 11.640) 12.618 7.577 ( 0.000 -0.477 -0.362) 0.599 7.577 ( 0.000 -0.477 0.362) 0.599 7.651 ( -0.000 13.889 -23.241) 27.074 7.651 ( -0.000 13.889 23.241) 27.074 8.047 ( 0.000 -0.845 -4.973) 5.044 8.047 ( 0.000 -0.845 4.973) 5.044 8.235 ( 0.000 -15.350 -3.475) 15.739 8.235 ( 0.000 -15.350 3.475) 15.739 9.176 ( -0.000 4.255 -19.371) 19.833 9.176 ( -0.000 4.255 19.371) 19.833 9.189 ( -0.000 1.303 -2.493) 2.813 9.189 ( -0.000 1.303 2.493) 2.813 10.001 ( 0.000 -8.777 -3.794) 9.562 10.001 ( 0.000 -8.777 3.794) 9.562 10.010 ( 0.000 -0.649 -7.842) 7.869 10.010 ( 0.000 -0.649 7.842) 7.869 10.577 ( 0.000 -1.614 -17.495) 17.570 10.577 ( 0.000 -1.614 17.495) 17.570 10.728 ( 0.000 -0.731 -1.717) 1.866 10.728 ( 0.000 -0.731 1.717) 1.866 11.776 ( -0.000 7.615 -8.710) 11.569 11.776 ( -0.000 7.615 8.710) 11.569 12.413 ( 0.000 -9.200 -10.580) 14.021 12.413 ( 0.000 -9.200 10.580) 14.021 12.899 ( -0.000 2.084 -22.400) 22.497 12.899 ( -0.000 2.084 22.400) 22.497 13.286 ( 0.000 -2.856 -5.068) 5.818 13.286 ( 0.000 -2.856 5.068) 5.818 13.692 ( 0.000 -2.501 -6.421) 6.891 13.692 ( 0.000 -2.501 6.421) 6.891 15.039 ( -0.000 2.299 -2.856) 3.666 15.039 ( -0.000 2.299 2.856) 3.666 15.200 ( 0.000 -0.189 -6.687) 6.690 15.200 ( 0.000 -0.189 6.687) 6.690 15.487 ( -0.000 1.187 -9.873) 9.944 15.487 ( -0.000 1.187 9.873) 9.944 16.849 ( 0.000 -0.598 -1.000) 1.165 16.849 ( 0.000 -0.598 1.000) 1.165 16.910 ( -0.000 5.770 -12.528) 13.793 16.910 ( -0.000 5.770 12.528) 13.793 17.473 ( 0.000 -0.487 -1.960) 2.019 17.473 ( 0.000 -0.487 1.960) 2.019 17.571 ( 0.000 -3.228 -2.700) 4.209 17.571 ( 0.000 -3.228 2.700) 4.209 18.445 ( -0.000 0.562 -4.388) 4.424 18.445 ( -0.000 0.562 4.388) 4.424 18.728 ( 0.000 -0.218 -11.120) 11.122 18.728 ( 0.000 -0.218 11.120) 11.122 19.740 ( -0.000 4.253 -3.133) 5.282 19.740 ( -0.000 4.253 3.133) 5.282 19.809 ( 0.000 -0.755 -7.882) 7.918 19.809 ( 0.000 -0.755 7.882) 7.918 20.290 ( 0.000 -1.778 -4.194) 4.555 20.290 ( 0.000 -1.778 4.194) 4.555 21.024 ( 0.000 -5.065 -7.563) 9.103 21.024 ( 0.000 -5.065 7.563) 9.103 21.402 ( -0.000 0.366 -2.358) 2.386 21.402 ( -0.000 0.366 2.358) 2.386 22.474 ( -0.000 0.223 -3.627) 3.634 22.474 ( -0.000 0.223 3.627) 3.634 24.425 ( -0.000 8.257 -27.881) 29.078 24.425 ( -0.000 8.257 27.881) 29.078 25.364 ( 0.000 -0.089 -8.345) 8.345 25.364 ( 0.000 -0.089 8.345) 8.345 26.049 ( 0.000 -0.004 -0.233) 0.233 26.049 ( 0.000 -0.004 0.233) 0.233 26.311 ( 0.000 -1.596 -0.857) 1.811 26.311 ( 0.000 -1.596 0.857) 1.811 27.447 ( 0.000 -2.924 -10.646) 11.041 27.447 ( 0.000 -2.924 10.646) 11.041 30.157 ( -0.000 0.620 -1.495) 1.619 30.157 ( -0.000 0.620 1.495) 1.619 38.127 ( -0.000 0.030 -0.705) 0.706 38.127 ( -0.000 0.030 0.705) 0.706 41.221 ( 0.000 -0.298 -27.937) 27.939 41.221 ( 0.000 -0.298 27.937) 27.939 =================== 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 3/43740 10.0 6470.781 48616.340 4042.322 0.000 0.000 -0.000 3/43740 20.0 3675.505 6135.036 4185.342 0.000 0.000 -0.000 3/43740 30.0 1041.905 1237.456 1182.661 0.000 0.000 -0.000 3/43740 40.0 444.721 447.218 480.524 0.000 0.000 -0.000 3/43740 50.0 242.568 221.934 253.284 0.000 0.000 -0.000 3/43740 60.0 153.786 132.147 156.168 0.000 0.000 -0.000 3/43740 70.0 107.575 88.277 106.596 0.000 0.000 -0.000 3/43740 80.0 80.498 63.733 78.054 0.000 0.000 -0.000 3/43740 90.0 63.216 48.624 60.138 0.000 0.000 -0.000 3/43740 100.0 51.464 38.645 48.143 0.000 0.000 -0.000 3/43740 110.0 43.075 31.694 39.703 0.000 0.000 -0.000 3/43740 120.0 36.854 26.647 33.526 0.000 0.000 -0.000 3/43740 130.0 32.096 22.859 28.860 0.000 0.000 -0.000 3/43740 140.0 28.365 19.936 25.239 0.000 0.000 -0.000 3/43740 150.0 25.376 17.629 22.368 0.000 0.000 -0.000 3/43740 160.0 22.937 15.773 20.046 0.000 0.000 -0.000 3/43740 170.0 20.915 14.254 18.139 0.000 0.000 -0.000 3/43740 180.0 19.216 12.992 16.549 0.000 0.000 -0.000 3/43740 190.0 17.771 11.931 15.207 0.000 0.000 -0.000 3/43740 200.0 16.528 11.028 14.061 0.000 0.000 -0.000 3/43740 210.0 15.450 10.251 13.074 0.000 0.000 -0.000 3/43740 220.0 14.505 9.577 12.215 0.000 0.000 -0.000 3/43740 230.0 13.672 8.988 11.462 0.000 0.000 -0.000 3/43740 240.0 12.932 8.468 10.797 0.000 0.000 -0.000 3/43740 250.0 12.270 8.006 10.205 0.000 0.000 -0.000 3/43740 260.0 11.674 7.594 9.676 0.000 0.000 -0.000 3/43740 270.0 11.136 7.223 9.201 0.000 0.000 -0.000 3/43740 280.0 10.647 6.889 8.771 0.000 0.000 -0.000 3/43740 290.0 10.200 6.585 8.380 0.000 0.000 -0.000 3/43740 300.0 9.792 6.308 8.024 0.000 0.000 -0.000 3/43740 310.0 9.415 6.054 7.698 0.000 0.000 -0.000 3/43740 320.0 9.068 5.821 7.399 0.000 0.000 -0.000 3/43740 330.0 8.747 5.607 7.123 0.000 0.000 -0.000 3/43740 340.0 8.449 5.408 6.867 0.000 0.000 -0.000 3/43740 350.0 8.171 5.224 6.630 0.000 0.000 -0.000 3/43740 360.0 7.912 5.052 6.410 0.000 0.000 -0.000 3/43740 370.0 7.669 4.892 6.204 0.000 0.000 -0.000 3/43740 380.0 7.442 4.742 6.012 0.000 0.000 -0.000 3/43740 390.0 7.228 4.602 5.832 0.000 0.000 -0.000 3/43740 400.0 7.027 4.470 5.663 0.000 0.000 -0.000 3/43740 410.0 6.837 4.345 5.504 0.000 0.000 -0.000 3/43740 420.0 6.657 4.228 5.354 0.000 0.000 -0.000 3/43740 430.0 6.487 4.118 5.212 0.000 0.000 -0.000 3/43740 440.0 6.326 4.013 5.078 0.000 0.000 -0.000 3/43740 450.0 6.173 3.913 4.951 0.000 0.000 -0.000 3/43740 460.0 6.028 3.819 4.831 0.000 0.000 -0.000 3/43740 470.0 5.889 3.729 4.717 0.000 0.000 -0.000 3/43740 480.0 5.757 3.644 4.608 0.000 0.000 -0.000 3/43740 490.0 5.631 3.563 4.504 0.000 0.000 -0.000 3/43740 500.0 5.511 3.485 4.405 0.000 0.000 -0.000 3/43740 510.0 5.396 3.411 4.311 0.000 0.000 -0.000 3/43740 520.0 5.285 3.340 4.221 0.000 0.000 -0.000 3/43740 530.0 5.180 3.272 4.134 0.000 0.000 -0.000 3/43740 540.0 5.078 3.207 4.052 0.000 0.000 -0.000 3/43740 550.0 4.981 3.144 3.972 0.000 0.000 -0.000 3/43740 560.0 4.887 3.084 3.896 0.000 0.000 -0.000 3/43740 570.0 4.797 3.026 3.823 0.000 0.000 -0.000 3/43740 580.0 4.711 2.971 3.753 0.000 0.000 -0.000 3/43740 590.0 4.627 2.917 3.685 0.000 0.000 -0.000 3/43740 600.0 4.547 2.866 3.620 0.000 0.000 -0.000 3/43740 610.0 4.469 2.816 3.557 0.000 0.000 -0.000 3/43740 620.0 4.394 2.768 3.497 0.000 0.000 -0.000 3/43740 630.0 4.322 2.722 3.438 0.000 0.000 -0.000 3/43740 640.0 4.252 2.677 3.382 0.000 0.000 -0.000 3/43740 650.0 4.184 2.634 3.327 0.000 0.000 -0.000 3/43740 660.0 4.119 2.592 3.275 0.000 0.000 -0.000 3/43740 670.0 4.055 2.552 3.224 0.000 0.000 -0.000 3/43740 680.0 3.994 2.513 3.174 0.000 0.000 -0.000 3/43740 690.0 3.934 2.475 3.126 0.000 0.000 -0.000 3/43740 700.0 3.876 2.438 3.080 0.000 0.000 -0.000 3/43740 710.0 3.820 2.402 3.035 0.000 0.000 -0.000 3/43740 720.0 3.766 2.368 2.991 0.000 0.000 -0.000 3/43740 730.0 3.713 2.334 2.949 0.000 0.000 -0.000 3/43740 740.0 3.662 2.301 2.908 0.000 0.000 -0.000 3/43740 750.0 3.612 2.270 2.868 0.000 0.000 -0.000 3/43740 760.0 3.563 2.239 2.829 0.000 0.000 -0.000 3/43740 770.0 3.516 2.209 2.792 0.000 0.000 -0.000 3/43740 780.0 3.470 2.180 2.755 0.000 0.000 -0.000 3/43740 790.0 3.425 2.151 2.719 0.000 0.000 -0.000 3/43740 800.0 3.382 2.124 2.684 0.000 0.000 -0.000 3/43740 810.0 3.339 2.097 2.650 0.000 0.000 -0.000 3/43740 820.0 3.298 2.070 2.617 0.000 0.000 -0.000 3/43740 830.0 3.258 2.045 2.585 0.000 0.000 -0.000 3/43740 840.0 3.218 2.020 2.554 0.000 0.000 -0.000 3/43740 850.0 3.180 1.995 2.523 0.000 0.000 -0.000 3/43740 860.0 3.142 1.972 2.494 0.000 0.000 -0.000 3/43740 870.0 3.106 1.948 2.464 0.000 0.000 -0.000 3/43740 880.0 3.070 1.926 2.436 0.000 0.000 -0.000 3/43740 890.0 3.035 1.904 2.408 0.000 0.000 -0.000 3/43740 900.0 3.001 1.882 2.381 0.000 0.000 -0.000 3/43740 910.0 2.968 1.861 2.355 0.000 0.000 -0.000 3/43740 920.0 2.935 1.840 2.329 0.000 0.000 -0.000 3/43740 930.0 2.903 1.820 2.304 0.000 0.000 -0.000 3/43740 940.0 2.872 1.800 2.279 0.000 0.000 -0.000 3/43740 950.0 2.842 1.781 2.255 0.000 0.000 -0.000 3/43740 960.0 2.812 1.762 2.231 0.000 0.000 -0.000 3/43740 970.0 2.783 1.744 2.208 0.000 0.000 -0.000 3/43740 980.0 2.754 1.726 2.185 0.000 0.000 -0.000 3/43740 990.0 2.726 1.708 2.163 0.000 0.000 -0.000 3/43740 1000.0 2.699 1.691 2.141 0.000 0.000 -0.000 3/43740 Thermal conductivity related properties were written into "kappa-m996.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-07 19:37:01]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|