----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-09 02:29:04]------------------------- Compiled with OpenMP support (max 128 threads). Running in phonopy.load mode. Python version 3.14.2 Spglib version 2.6.1 Crystal structure was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". Unit of length: angstrom Settings: Supercell: [1 2 2] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: Pbcn (60) Number of symmetry operations in supercell: 32 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 15.744568460000000 0.000000000000000 0.000000000000000 b 0.000000000000000 5.884433039999999 0.000000000000000 c 0.000000000000000 0.000000000000000 5.262171339999999 Atomic positions (fractional): *1 Ta 0.67048383755595 0.67671061816958 0.69874246118852 180.948 2 Ta 0.67048383755595 0.32328938183042 0.19874246118852 180.948 3 Ta 0.82951616244405 0.82328938183042 0.19874246118852 180.948 4 Ta 0.82951616244405 0.17671061816958 0.69874246118852 180.948 5 Ta 0.17048383755595 0.82328938183042 0.30125753881148 180.948 6 Ta 0.17048383755595 0.17671061816958 0.80125753881148 180.948 7 Ta 0.32951616244405 0.67671061816958 0.80125753881148 180.948 8 Ta 0.32951616244405 0.32328938183042 0.30125753881148 180.948 *9 Pb 0.50000000000000 0.78386814850867 0.25000000000000 207.200 10 Pb 0.50000000000000 0.21613185149133 0.75000000000000 207.200 11 Pb 0.00000000000000 0.71613185149133 0.75000000000000 207.200 12 Pb 0.00000000000000 0.28386814850866 0.25000000000000 207.200 *13 O 0.59349630276701 0.89225495348021 0.60918486115594 15.999 14 O 0.59349630276701 0.10774504651979 0.10918486115594 15.999 *15 O 0.61084641538396 0.57101571629790 0.99787011902987 15.999 16 O 0.61084641538396 0.42898428370210 0.49787011902987 15.999 *17 O 0.74301738463326 0.35848655445957 0.87388032096133 15.999 18 O 0.74301738463326 0.64151344554043 0.37388032096133 15.999 19 O 0.75698261536674 0.85848655445957 0.87388032096133 15.999 20 O 0.75698261536674 0.14151344554043 0.37388032096133 15.999 21 O 0.88915358461604 0.92898428370210 0.49787011902987 15.999 22 O 0.88915358461604 0.07101571629790 0.99787011902987 15.999 23 O 0.90650369723299 0.60774504651979 0.10918486115594 15.999 24 O 0.90650369723299 0.39225495348021 0.60918486115594 15.999 25 O 0.09349630276701 0.60774504651979 0.39081513884406 15.999 26 O 0.09349630276701 0.39225495348021 0.89081513884406 15.999 27 O 0.11084641538396 0.92898428370210 0.00212988097013 15.999 28 O 0.11084641538396 0.07101571629790 0.50212988097013 15.999 29 O 0.24301738463326 0.85848655445957 0.62611967903867 15.999 30 O 0.24301738463326 0.14151344554043 0.12611967903867 15.999 31 O 0.25698261536674 0.64151344554043 0.12611967903867 15.999 32 O 0.25698261536674 0.35848655445957 0.62611967903867 15.999 33 O 0.38915358461604 0.57101571629790 0.50212988097013 15.999 34 O 0.38915358461604 0.42898428370210 0.00212988097013 15.999 35 O 0.40650369723299 0.89225495348021 0.89081513884406 15.999 36 O 0.40650369723299 0.10774504651979 0.39081513884406 15.999 -------------------------------- unit cell --------------------------------- Lattice vectors: a 15.744568460000000 0.000000000000000 0.000000000000000 b 0.000000000000000 5.884433039999999 0.000000000000000 c 0.000000000000000 0.000000000000000 5.262171339999999 Atomic positions (fractional): *1 Ta 0.67048383755595 0.67671061816958 0.69874246118852 180.948 > 1 2 Ta 0.67048383755595 0.32328938183042 0.19874246118852 180.948 > 2 3 Ta 0.82951616244405 0.82328938183042 0.19874246118852 180.948 > 3 4 Ta 0.82951616244405 0.17671061816958 0.69874246118852 180.948 > 4 5 Ta 0.17048383755595 0.82328938183042 0.30125753881148 180.948 > 5 6 Ta 0.17048383755595 0.17671061816958 0.80125753881148 180.948 > 6 7 Ta 0.32951616244405 0.67671061816958 0.80125753881148 180.948 > 7 8 Ta 0.32951616244405 0.32328938183042 0.30125753881148 180.948 > 8 *9 Pb 0.50000000000000 0.78386814850867 0.25000000000000 207.200 > 9 10 Pb 0.50000000000000 0.21613185149133 0.75000000000000 207.200 > 10 11 Pb 0.00000000000000 0.71613185149133 0.75000000000000 207.200 > 11 12 Pb 0.00000000000000 0.28386814850866 0.25000000000000 207.200 > 12 *13 O 0.59349630276701 0.89225495348021 0.60918486115594 15.999 > 13 14 O 0.59349630276701 0.10774504651979 0.10918486115594 15.999 > 14 *15 O 0.61084641538396 0.57101571629790 0.99787011902987 15.999 > 15 16 O 0.61084641538396 0.42898428370210 0.49787011902987 15.999 > 16 *17 O 0.74301738463326 0.35848655445957 0.87388032096133 15.999 > 17 18 O 0.74301738463326 0.64151344554043 0.37388032096133 15.999 > 18 19 O 0.75698261536674 0.85848655445957 0.87388032096133 15.999 > 19 20 O 0.75698261536674 0.14151344554043 0.37388032096133 15.999 > 20 21 O 0.88915358461604 0.92898428370210 0.49787011902987 15.999 > 21 22 O 0.88915358461604 0.07101571629790 0.99787011902987 15.999 > 22 23 O 0.90650369723299 0.60774504651979 0.10918486115594 15.999 > 23 24 O 0.90650369723299 0.39225495348021 0.60918486115594 15.999 > 24 25 O 0.09349630276701 0.60774504651979 0.39081513884406 15.999 > 25 26 O 0.09349630276701 0.39225495348021 0.89081513884406 15.999 > 26 27 O 0.11084641538396 0.92898428370210 0.00212988097013 15.999 > 27 28 O 0.11084641538396 0.07101571629790 0.50212988097013 15.999 > 28 29 O 0.24301738463326 0.85848655445957 0.62611967903867 15.999 > 29 30 O 0.24301738463326 0.14151344554043 0.12611967903867 15.999 > 30 31 O 0.25698261536674 0.64151344554043 0.12611967903867 15.999 > 31 32 O 0.25698261536674 0.35848655445957 0.62611967903867 15.999 > 32 33 O 0.38915358461604 0.57101571629790 0.50212988097013 15.999 > 33 34 O 0.38915358461604 0.42898428370210 0.00212988097013 15.999 > 34 35 O 0.40650369723299 0.89225495348021 0.89081513884406 15.999 > 35 36 O 0.40650369723299 0.10774504651979 0.39081513884406 15.999 > 36 -------------------------------- super cell -------------------------------- Lattice vectors: a 15.744568460000000 0.000000000000000 0.000000000000000 b 0.000000000000000 11.768866079999999 0.000000000000000 c 0.000000000000000 0.000000000000000 10.524342679999998 Atomic positions (fractional): *1 Ta 0.67048383755595 0.33835530908479 0.34937123059426 180.948 > 1 2 Ta 0.67048383755595 0.83835530908479 0.34937123059426 180.948 > 1 3 Ta 0.67048383755595 0.33835530908479 0.84937123059426 180.948 > 1 4 Ta 0.67048383755595 0.83835530908479 0.84937123059426 180.948 > 1 5 Ta 0.67048383755595 0.16164469091521 0.09937123059426 180.948 > 2 6 Ta 0.67048383755595 0.66164469091521 0.09937123059426 180.948 > 2 7 Ta 0.67048383755595 0.16164469091521 0.59937123059426 180.948 > 2 8 Ta 0.67048383755595 0.66164469091521 0.59937123059426 180.948 > 2 9 Ta 0.82951616244405 0.41164469091521 0.09937123059426 180.948 > 3 10 Ta 0.82951616244405 0.91164469091521 0.09937123059426 180.948 > 3 11 Ta 0.82951616244405 0.41164469091521 0.59937123059426 180.948 > 3 12 Ta 0.82951616244405 0.91164469091521 0.59937123059426 180.948 > 3 13 Ta 0.82951616244405 0.08835530908479 0.34937123059426 180.948 > 4 14 Ta 0.82951616244405 0.58835530908479 0.34937123059426 180.948 > 4 15 Ta 0.82951616244405 0.08835530908479 0.84937123059426 180.948 > 4 16 Ta 0.82951616244405 0.58835530908479 0.84937123059426 180.948 > 4 17 Ta 0.17048383755595 0.41164469091521 0.15062876940574 180.948 > 5 18 Ta 0.17048383755595 0.91164469091521 0.15062876940574 180.948 > 5 19 Ta 0.17048383755595 0.41164469091521 0.65062876940574 180.948 > 5 20 Ta 0.17048383755595 0.91164469091521 0.65062876940574 180.948 > 5 21 Ta 0.17048383755595 0.08835530908479 0.40062876940574 180.948 > 6 22 Ta 0.17048383755595 0.58835530908479 0.40062876940574 180.948 > 6 23 Ta 0.17048383755595 0.08835530908479 0.90062876940574 180.948 > 6 24 Ta 0.17048383755595 0.58835530908479 0.90062876940574 180.948 > 6 25 Ta 0.32951616244405 0.33835530908479 0.40062876940574 180.948 > 7 26 Ta 0.32951616244405 0.83835530908479 0.40062876940574 180.948 > 7 27 Ta 0.32951616244405 0.33835530908479 0.90062876940574 180.948 > 7 28 Ta 0.32951616244405 0.83835530908479 0.90062876940574 180.948 > 7 29 Ta 0.32951616244405 0.16164469091521 0.15062876940574 180.948 > 8 30 Ta 0.32951616244405 0.66164469091521 0.15062876940574 180.948 > 8 31 Ta 0.32951616244405 0.16164469091521 0.65062876940574 180.948 > 8 32 Ta 0.32951616244405 0.66164469091521 0.65062876940574 180.948 > 8 *33 Pb 0.50000000000000 0.39193407425433 0.12500000000000 207.200 > 9 34 Pb 0.50000000000000 0.89193407425433 0.12500000000000 207.200 > 9 35 Pb 0.50000000000000 0.39193407425433 0.62500000000000 207.200 > 9 36 Pb 0.50000000000000 0.89193407425433 0.62500000000000 207.200 > 9 37 Pb 0.50000000000000 0.10806592574567 0.37500000000000 207.200 > 10 38 Pb 0.50000000000000 0.60806592574567 0.37500000000000 207.200 > 10 39 Pb 0.50000000000000 0.10806592574567 0.87500000000000 207.200 > 10 40 Pb 0.50000000000000 0.60806592574567 0.87500000000000 207.200 > 10 41 Pb 0.00000000000000 0.35806592574567 0.37500000000000 207.200 > 11 42 Pb 0.00000000000000 0.85806592574567 0.37500000000000 207.200 > 11 43 Pb 0.00000000000000 0.35806592574567 0.87500000000000 207.200 > 11 44 Pb 0.00000000000000 0.85806592574567 0.87500000000000 207.200 > 11 45 Pb 0.00000000000000 0.14193407425433 0.12500000000000 207.200 > 12 46 Pb 0.00000000000000 0.64193407425433 0.12500000000000 207.200 > 12 47 Pb 0.00000000000000 0.14193407425433 0.62500000000000 207.200 > 12 48 Pb 0.00000000000000 0.64193407425433 0.62500000000000 207.200 > 12 *49 O 0.59349630276701 0.44612747674011 0.30459243057797 15.999 > 13 50 O 0.59349630276701 0.94612747674011 0.30459243057797 15.999 > 13 51 O 0.59349630276701 0.44612747674011 0.80459243057797 15.999 > 13 52 O 0.59349630276701 0.94612747674011 0.80459243057797 15.999 > 13 53 O 0.59349630276701 0.05387252325989 0.05459243057797 15.999 > 14 54 O 0.59349630276701 0.55387252325989 0.05459243057797 15.999 > 14 55 O 0.59349630276701 0.05387252325989 0.55459243057797 15.999 > 14 56 O 0.59349630276701 0.55387252325989 0.55459243057797 15.999 > 14 *57 O 0.61084641538396 0.28550785814895 0.49893505951494 15.999 > 15 58 O 0.61084641538396 0.78550785814895 0.49893505951494 15.999 > 15 59 O 0.61084641538396 0.28550785814895 0.99893505951494 15.999 > 15 60 O 0.61084641538396 0.78550785814895 0.99893505951494 15.999 > 15 61 O 0.61084641538396 0.21449214185105 0.24893505951494 15.999 > 16 62 O 0.61084641538396 0.71449214185105 0.24893505951494 15.999 > 16 63 O 0.61084641538396 0.21449214185105 0.74893505951494 15.999 > 16 64 O 0.61084641538396 0.71449214185105 0.74893505951494 15.999 > 16 *65 O 0.74301738463326 0.17924327722979 0.43694016048066 15.999 > 17 66 O 0.74301738463326 0.67924327722979 0.43694016048066 15.999 > 17 67 O 0.74301738463326 0.17924327722979 0.93694016048066 15.999 > 17 68 O 0.74301738463326 0.67924327722979 0.93694016048066 15.999 > 17 69 O 0.74301738463326 0.32075672277021 0.18694016048066 15.999 > 18 70 O 0.74301738463326 0.82075672277021 0.18694016048066 15.999 > 18 71 O 0.74301738463326 0.32075672277021 0.68694016048066 15.999 > 18 72 O 0.74301738463326 0.82075672277021 0.68694016048066 15.999 > 18 73 O 0.75698261536674 0.42924327722979 0.43694016048066 15.999 > 19 74 O 0.75698261536674 0.92924327722979 0.43694016048066 15.999 > 19 75 O 0.75698261536674 0.42924327722979 0.93694016048066 15.999 > 19 76 O 0.75698261536674 0.92924327722979 0.93694016048066 15.999 > 19 77 O 0.75698261536674 0.07075672277021 0.18694016048066 15.999 > 20 78 O 0.75698261536674 0.57075672277021 0.18694016048066 15.999 > 20 79 O 0.75698261536674 0.07075672277021 0.68694016048066 15.999 > 20 80 O 0.75698261536674 0.57075672277021 0.68694016048066 15.999 > 20 81 O 0.88915358461604 0.46449214185105 0.24893505951494 15.999 > 21 82 O 0.88915358461604 0.96449214185105 0.24893505951494 15.999 > 21 83 O 0.88915358461604 0.46449214185105 0.74893505951494 15.999 > 21 84 O 0.88915358461604 0.96449214185105 0.74893505951494 15.999 > 21 85 O 0.88915358461604 0.03550785814895 0.49893505951494 15.999 > 22 86 O 0.88915358461604 0.53550785814895 0.49893505951494 15.999 > 22 87 O 0.88915358461604 0.03550785814895 0.99893505951494 15.999 > 22 88 O 0.88915358461604 0.53550785814895 0.99893505951494 15.999 > 22 89 O 0.90650369723299 0.30387252325989 0.05459243057797 15.999 > 23 90 O 0.90650369723299 0.80387252325989 0.05459243057797 15.999 > 23 91 O 0.90650369723299 0.30387252325989 0.55459243057797 15.999 > 23 92 O 0.90650369723299 0.80387252325989 0.55459243057797 15.999 > 23 93 O 0.90650369723299 0.19612747674011 0.30459243057797 15.999 > 24 94 O 0.90650369723299 0.69612747674011 0.30459243057797 15.999 > 24 95 O 0.90650369723299 0.19612747674011 0.80459243057797 15.999 > 24 96 O 0.90650369723299 0.69612747674011 0.80459243057797 15.999 > 24 97 O 0.09349630276701 0.30387252325989 0.19540756942203 15.999 > 25 98 O 0.09349630276701 0.80387252325989 0.19540756942203 15.999 > 25 99 O 0.09349630276701 0.30387252325989 0.69540756942203 15.999 > 25 100 O 0.09349630276701 0.80387252325989 0.69540756942203 15.999 > 25 101 O 0.09349630276701 0.19612747674011 0.44540756942203 15.999 > 26 102 O 0.09349630276701 0.69612747674011 0.44540756942203 15.999 > 26 103 O 0.09349630276701 0.19612747674011 0.94540756942203 15.999 > 26 104 O 0.09349630276701 0.69612747674011 0.94540756942203 15.999 > 26 105 O 0.11084641538396 0.46449214185105 0.00106494048506 15.999 > 27 106 O 0.11084641538396 0.96449214185105 0.00106494048506 15.999 > 27 107 O 0.11084641538396 0.46449214185105 0.50106494048506 15.999 > 27 108 O 0.11084641538396 0.96449214185105 0.50106494048506 15.999 > 27 109 O 0.11084641538396 0.03550785814895 0.25106494048506 15.999 > 28 110 O 0.11084641538396 0.53550785814895 0.25106494048506 15.999 > 28 111 O 0.11084641538396 0.03550785814895 0.75106494048506 15.999 > 28 112 O 0.11084641538396 0.53550785814895 0.75106494048506 15.999 > 28 113 O 0.24301738463326 0.42924327722979 0.31305983951934 15.999 > 29 114 O 0.24301738463326 0.92924327722979 0.31305983951934 15.999 > 29 115 O 0.24301738463326 0.42924327722979 0.81305983951934 15.999 > 29 116 O 0.24301738463326 0.92924327722979 0.81305983951934 15.999 > 29 117 O 0.24301738463326 0.07075672277021 0.06305983951934 15.999 > 30 118 O 0.24301738463326 0.57075672277021 0.06305983951934 15.999 > 30 119 O 0.24301738463326 0.07075672277021 0.56305983951934 15.999 > 30 120 O 0.24301738463326 0.57075672277021 0.56305983951934 15.999 > 30 121 O 0.25698261536674 0.32075672277021 0.06305983951934 15.999 > 31 122 O 0.25698261536674 0.82075672277021 0.06305983951934 15.999 > 31 123 O 0.25698261536674 0.32075672277021 0.56305983951934 15.999 > 31 124 O 0.25698261536674 0.82075672277021 0.56305983951934 15.999 > 31 125 O 0.25698261536674 0.17924327722979 0.31305983951934 15.999 > 32 126 O 0.25698261536674 0.67924327722979 0.31305983951934 15.999 > 32 127 O 0.25698261536674 0.17924327722979 0.81305983951934 15.999 > 32 128 O 0.25698261536674 0.67924327722979 0.81305983951934 15.999 > 32 129 O 0.38915358461604 0.28550785814895 0.25106494048506 15.999 > 33 130 O 0.38915358461604 0.78550785814895 0.25106494048506 15.999 > 33 131 O 0.38915358461604 0.28550785814895 0.75106494048506 15.999 > 33 132 O 0.38915358461604 0.78550785814895 0.75106494048506 15.999 > 33 133 O 0.38915358461604 0.21449214185105 0.00106494048506 15.999 > 34 134 O 0.38915358461604 0.71449214185105 0.00106494048506 15.999 > 34 135 O 0.38915358461604 0.21449214185105 0.50106494048506 15.999 > 34 136 O 0.38915358461604 0.71449214185105 0.50106494048506 15.999 > 34 137 O 0.40650369723299 0.44612747674011 0.44540756942203 15.999 > 35 138 O 0.40650369723299 0.94612747674011 0.44540756942203 15.999 > 35 139 O 0.40650369723299 0.44612747674011 0.94540756942203 15.999 > 35 140 O 0.40650369723299 0.94612747674011 0.94540756942203 15.999 > 35 141 O 0.40650369723299 0.05387252325989 0.19540756942203 15.999 > 36 142 O 0.40650369723299 0.55387252325989 0.19540756942203 15.999 > 36 143 O 0.40650369723299 0.05387252325989 0.69540756942203 15.999 > 36 144 O 0.40650369723299 0.55387252325989 0.69540756942203 15.999 > 36 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 5.7774831 0.0000000 0.0000000 0.0000000 5.1181522 0.0000000 0.0000000 0.0000000 5.4655846 -------------------------- Born effective charges -------------------------- 1 Ta 5.9967473 0.0601603 0.1743805 0.9328768 5.7903049 -0.3407940 0.2698640 0.3854712 6.6938407 2 Ta 5.9967473 -0.0601603 0.1743805 -0.9328768 5.7903049 0.3407940 0.2698640 -0.3854712 6.6938407 3 Ta 5.9967473 0.0601603 -0.1743805 0.9328768 5.7903049 0.3407940 -0.2698640 -0.3854712 6.6938407 4 Ta 5.9967473 -0.0601603 -0.1743805 -0.9328768 5.7903049 -0.3407940 -0.2698640 0.3854712 6.6938407 5 Ta 5.9967473 -0.0601603 -0.1743805 -0.9328768 5.7903049 -0.3407940 -0.2698640 0.3854712 6.6938407 6 Ta 5.9967473 0.0601603 -0.1743805 0.9328768 5.7903049 0.3407940 -0.2698640 -0.3854712 6.6938407 7 Ta 5.9967473 -0.0601603 0.1743805 -0.9328768 5.7903049 0.3407940 0.2698640 -0.3854712 6.6938407 8 Ta 5.9967473 0.0601603 0.1743805 0.9328768 5.7903049 -0.3407940 0.2698640 0.3854712 6.6938407 9 Pb 4.6910104 0.0000000 0.0918684 0.0000000 3.3996300 0.0000000 -0.1241322 0.0000000 3.3598793 10 Pb 4.6910104 0.0000000 0.0918684 0.0000000 3.3996300 0.0000000 -0.1241322 0.0000000 3.3598793 11 Pb 4.6910104 0.0000000 -0.0918684 0.0000000 3.3996300 0.0000000 0.1241322 0.0000000 3.3598793 12 Pb 4.6910104 0.0000000 -0.0918684 0.0000000 3.3996300 0.0000000 0.1241322 0.0000000 3.3598793 13 O -3.0195282 1.6772926 -0.8513442 1.4549941 -2.6685500 0.0601483 -0.9103387 0.0593798 -1.8219773 14 O -3.0195282 -1.6772926 -0.8513442 -1.4549941 -2.6685500 -0.0601483 -0.9103387 -0.0593798 -1.8219773 15 O -2.2044074 0.4958592 0.7368192 0.4002921 -2.5360938 0.9138790 0.8750588 1.1545728 -3.5297282 16 O -2.2044074 -0.4958592 0.7368192 -0.4002921 -2.5360938 -0.9138790 0.8750588 -1.1545728 -3.5297282 17 O -3.1183168 1.3825224 1.4462681 1.4262028 -2.2854761 -0.2914588 1.5338183 -0.2364420 -3.0220749 18 O -3.1183168 -1.3825224 1.4462681 -1.4262028 -2.2854761 0.2914588 1.5338183 0.2364420 -3.0220749 19 O -3.1183168 -1.3825224 -1.4462681 -1.4262028 -2.2854761 -0.2914588 -1.5338183 -0.2364420 -3.0220749 20 O -3.1183168 1.3825224 -1.4462681 1.4262028 -2.2854761 0.2914588 -1.5338183 0.2364420 -3.0220749 21 O -2.2044074 0.4958592 -0.7368192 0.4002921 -2.5360938 -0.9138790 -0.8750588 -1.1545728 -3.5297282 22 O -2.2044074 -0.4958592 -0.7368192 -0.4002921 -2.5360938 0.9138790 -0.8750588 1.1545728 -3.5297282 23 O -3.0195282 1.6772926 0.8513442 1.4549941 -2.6685500 -0.0601483 0.9103387 -0.0593798 -1.8219773 24 O -3.0195282 -1.6772926 0.8513442 -1.4549941 -2.6685500 0.0601483 0.9103387 0.0593798 -1.8219773 25 O -3.0195282 -1.6772926 0.8513442 -1.4549941 -2.6685500 0.0601483 0.9103387 0.0593798 -1.8219773 26 O -3.0195282 1.6772926 0.8513442 1.4549941 -2.6685500 -0.0601483 0.9103387 -0.0593798 -1.8219773 27 O -2.2044074 -0.4958592 -0.7368192 -0.4002921 -2.5360938 0.9138790 -0.8750588 1.1545728 -3.5297282 28 O -2.2044074 0.4958592 -0.7368192 0.4002921 -2.5360938 -0.9138790 -0.8750588 -1.1545728 -3.5297282 29 O -3.1183168 1.3825224 -1.4462681 1.4262028 -2.2854761 0.2914588 -1.5338183 0.2364420 -3.0220749 30 O -3.1183168 -1.3825224 -1.4462681 -1.4262028 -2.2854761 -0.2914588 -1.5338183 -0.2364420 -3.0220749 31 O -3.1183168 1.3825224 1.4462681 1.4262028 -2.2854761 -0.2914588 1.5338183 -0.2364420 -3.0220749 32 O -3.1183168 -1.3825224 1.4462681 -1.4262028 -2.2854761 0.2914588 1.5338183 0.2364420 -3.0220749 33 O -2.2044074 -0.4958592 0.7368192 -0.4002921 -2.5360938 -0.9138790 0.8750588 -1.1545728 -3.5297282 34 O -2.2044074 0.4958592 0.7368192 0.4002921 -2.5360938 0.9138790 0.8750588 1.1545728 -3.5297282 35 O -3.0195282 -1.6772926 -0.8513442 -1.4549941 -2.6685500 -0.0601483 -0.9103387 -0.0593798 -1.8219773 36 O -3.0195282 1.6772926 -0.8513442 1.4549941 -2.6685500 0.0601483 -0.9103387 0.0593798 -1.8219773 ---------------------------------------------------------------------------- Displacement-force dataset was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". -------------------------------- Symfc start ------------------------------- Symfc version 1.5.4 (https://github.com/symfc/symfc) Citation: A. Seko and A. Togo, Phys. Rev. B, 110, 214302 (2024) Computing [2] order force constants. Permutation basis: 432/432 Permutation basis: 23760/23760 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 3026 Number of blocks in projector: 3026 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: 652 Use submatrix version of eigh solver. (1) Block: 500 / 652 (2) Block: 250 / 500 (2) 240 eigenvectors found. (2) Block: 500 / 500 (2) 240 eigenvectors found. (2) Complementary block size: 20 (2) Compute compressed projector. (2) Use standard solver. (2) 10 eigenvectors found. (1) 490 eigenvectors found. (1) Block: 652 / 652 (1) 144 eigenvectors found. (1) Complementary block size: 18 (1) Compute compressed projector. (1) Use standard solver. (1) 8 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 644 Use submatrix version of eigh solver. (1) Block: 500 / 644 (2) Block: 250 / 500 (2) 242 eigenvectors found. (2) Block: 500 / 500 (2) 242 eigenvectors found. (2) Complementary block size: 16 (2) Compute compressed projector. (2) Use standard solver. (2) 8 eigenvectors found. (1) 492 eigenvectors found. (1) Block: 644 / 644 (1) 137 eigenvectors found. (1) Complementary block size: 15 (1) Compute compressed projector. (1) Use standard solver. (1) 7 eigenvectors found. --- Eigsh_solver_block: 3 / 6 --- Block_size: 644 Use submatrix version of eigh solver. (1) Block: 500 / 644 (2) Block: 250 / 500 (2) 242 eigenvectors found. (2) Block: 500 / 500 (2) 242 eigenvectors found. (2) Complementary block size: 16 (2) Compute compressed projector. (2) Use standard solver. (2) 8 eigenvectors found. (1) 492 eigenvectors found. (1) Block: 644 / 644 (1) 137 eigenvectors found. (1) Complementary block size: 15 (1) Compute compressed projector. (1) Use standard solver. (1) 7 eigenvectors found. --- Eigsh_solver_block: 4 / 6 --- Block_size: 362 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 362 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 362 Use standard eigh solver. Tree of FC basis block matrices: - (3026, 2985), data: False |-- (362, 357), data: True |-- (362, 357), data: True |-- (362, 357), data: True |-- (644, 636), data: False |-- (644, 7), data: (644, 15) @ (15, 7) |-- (144, 137), data: True |-- (500, 492), data: False |-- (500, 8), data: (500, 16) @ (16, 8) |-- (250, 242), data: True |-- (250, 242), data: True |-- (644, 636), data: False |-- (644, 7), data: (644, 15) @ (15, 7) |-- (144, 137), data: True |-- (500, 492), data: False |-- (500, 8), data: (500, 16) @ (16, 8) |-- (250, 242), data: True |-- (250, 242), data: True |-- (652, 642), data: False |-- (652, 8), data: (652, 18) @ (18, 8) |-- (152, 144), data: True |-- (500, 490), data: False |-- (500, 10), data: (500, 20) @ (20, 10) |-- (250, 240), data: True |-- (250, 240), data: True ----- Solver_atoms: 1 -- 144 / 144 Time (Solver_compr_matrix_reshape): 0.004 Solver_block: 100 / 560 - Time: 1.093 Solver_block: 200 / 560 - Time: 1.065 Solver_block: 300 / 560 - Time: 1.056 Solver_block: 400 / 560 - Time: 1.042 Solver_block: 500 / 560 - Time: 1.063 Solver_block: 560 / 560 - Time: 0.687 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 6.132 --------------------------------- Symfc end -------------------------------- Max drift of force constants: 0.00000000 (xx) 0.00000000 (xx) Permutation basis: 432/432 Permutation basis: 23760/23760 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 3026 Number of blocks in projector: 3026 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: 652 Use submatrix version of eigh solver. (1) Block: 500 / 652 (2) Block: 250 / 500 (2) 240 eigenvectors found. (2) Block: 500 / 500 (2) 240 eigenvectors found. (2) Complementary block size: 20 (2) Compute compressed projector. (2) Use standard solver. (2) 10 eigenvectors found. (1) 490 eigenvectors found. (1) Block: 652 / 652 (1) 144 eigenvectors found. (1) Complementary block size: 18 (1) Compute compressed projector. (1) Use standard solver. (1) 8 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 644 Use submatrix version of eigh solver. (1) Block: 500 / 644 (2) Block: 250 / 500 (2) 242 eigenvectors found. (2) Block: 500 / 500 (2) 242 eigenvectors found. (2) Complementary block size: 16 (2) Compute compressed projector. (2) Use standard solver. (2) 8 eigenvectors found. (1) 492 eigenvectors found. (1) Block: 644 / 644 (1) 137 eigenvectors found. (1) Complementary block size: 15 (1) Compute compressed projector. (1) Use standard solver. (1) 7 eigenvectors found. --- Eigsh_solver_block: 3 / 6 --- Block_size: 644 Use submatrix version of eigh solver. (1) Block: 500 / 644 (2) Block: 250 / 500 (2) 242 eigenvectors found. (2) Block: 500 / 500 (2) 242 eigenvectors found. (2) Complementary block size: 16 (2) Compute compressed projector. (2) Use standard solver. (2) 8 eigenvectors found. (1) 492 eigenvectors found. (1) Block: 644 / 644 (1) 137 eigenvectors found. (1) Complementary block size: 15 (1) Compute compressed projector. (1) Use standard solver. (1) 7 eigenvectors found. --- Eigsh_solver_block: 4 / 6 --- Block_size: 362 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 362 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 362 Use standard eigh solver. Tree of FC basis block matrices: - (3026, 2985), data: False |-- (362, 357), data: True |-- (362, 357), data: True |-- (362, 357), data: True |-- (644, 636), data: False |-- (644, 7), data: (644, 15) @ (15, 7) |-- (144, 137), data: True |-- (500, 492), data: False |-- (500, 8), data: (500, 16) @ (16, 8) |-- (250, 242), data: True |-- (250, 242), data: True |-- (644, 636), data: False |-- (644, 7), data: (644, 15) @ (15, 7) |-- (144, 137), data: True |-- (500, 492), data: False |-- (500, 8), data: (500, 16) @ (16, 8) |-- (250, 242), data: True |-- (250, 242), data: True |-- (652, 642), data: False |-- (652, 8), data: (652, 18) @ (18, 8) |-- (152, 144), data: True |-- (500, 490), data: False |-- (500, 10), data: (500, 20) @ (20, 10) |-- (250, 240), data: True |-- (250, 240), 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 2026-01-09 02:29:41]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-09 02:29:42]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: force constants HDF5 data compression filter: gzip Crystal structure was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". Supercell (dim): [1 2 2] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: Pbcn (60) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 15.744568460000000 0.000000000000000 0.000000000000000 b 0.000000000000000 5.884433039999999 0.000000000000000 c 0.000000000000000 0.000000000000000 5.262171339999999 Atomic positions (fractional): 1 Ta 0.67048383755595 0.67671061816958 0.69874246118852 180.948 2 Ta 0.67048383755595 0.32328938183042 0.19874246118852 180.948 3 Ta 0.82951616244405 0.82328938183042 0.19874246118852 180.948 4 Ta 0.82951616244405 0.17671061816958 0.69874246118852 180.948 5 Ta 0.17048383755595 0.82328938183042 0.30125753881148 180.948 6 Ta 0.17048383755595 0.17671061816958 0.80125753881148 180.948 7 Ta 0.32951616244405 0.67671061816958 0.80125753881148 180.948 8 Ta 0.32951616244405 0.32328938183042 0.30125753881148 180.948 9 Pb 0.50000000000000 0.78386814850867 0.25000000000000 207.200 10 Pb 0.50000000000000 0.21613185149133 0.75000000000000 207.200 11 Pb 0.00000000000000 0.71613185149133 0.75000000000000 207.200 12 Pb 0.00000000000000 0.28386814850866 0.25000000000000 207.200 13 O 0.59349630276701 0.89225495348021 0.60918486115594 15.999 14 O 0.59349630276701 0.10774504651979 0.10918486115594 15.999 15 O 0.61084641538396 0.57101571629790 0.99787011902987 15.999 16 O 0.61084641538396 0.42898428370210 0.49787011902987 15.999 17 O 0.74301738463326 0.35848655445957 0.87388032096133 15.999 18 O 0.74301738463326 0.64151344554043 0.37388032096133 15.999 19 O 0.75698261536674 0.85848655445957 0.87388032096133 15.999 20 O 0.75698261536674 0.14151344554043 0.37388032096133 15.999 21 O 0.88915358461604 0.92898428370210 0.49787011902987 15.999 22 O 0.88915358461604 0.07101571629790 0.99787011902987 15.999 23 O 0.90650369723299 0.60774504651979 0.10918486115594 15.999 24 O 0.90650369723299 0.39225495348021 0.60918486115594 15.999 25 O 0.09349630276701 0.60774504651979 0.39081513884406 15.999 26 O 0.09349630276701 0.39225495348021 0.89081513884406 15.999 27 O 0.11084641538396 0.92898428370210 0.00212988097013 15.999 28 O 0.11084641538396 0.07101571629790 0.50212988097013 15.999 29 O 0.24301738463326 0.85848655445957 0.62611967903867 15.999 30 O 0.24301738463326 0.14151344554043 0.12611967903867 15.999 31 O 0.25698261536674 0.64151344554043 0.12611967903867 15.999 32 O 0.25698261536674 0.35848655445957 0.62611967903867 15.999 33 O 0.38915358461604 0.57101571629790 0.50212988097013 15.999 34 O 0.38915358461604 0.42898428370210 0.00212988097013 15.999 35 O 0.40650369723299 0.89225495348021 0.89081513884406 15.999 36 O 0.40650369723299 0.10774504651979 0.39081513884406 15.999 -------------------------------- supercell --------------------------------- Lattice vectors: a 15.744568460000000 0.000000000000000 0.000000000000000 b 0.000000000000000 11.768866079999999 0.000000000000000 c 0.000000000000000 0.000000000000000 10.524342679999998 Atomic positions (fractional): 1 Ta 0.67048383755595 0.33835530908479 0.34937123059426 180.948 > 1 2 Ta 0.67048383755595 0.83835530908479 0.34937123059426 180.948 > 1 3 Ta 0.67048383755595 0.33835530908479 0.84937123059426 180.948 > 1 4 Ta 0.67048383755595 0.83835530908479 0.84937123059426 180.948 > 1 5 Ta 0.67048383755595 0.16164469091521 0.09937123059426 180.948 > 5 6 Ta 0.67048383755595 0.66164469091521 0.09937123059426 180.948 > 5 7 Ta 0.67048383755595 0.16164469091521 0.59937123059426 180.948 > 5 8 Ta 0.67048383755595 0.66164469091521 0.59937123059426 180.948 > 5 9 Ta 0.82951616244405 0.41164469091521 0.09937123059426 180.948 > 9 10 Ta 0.82951616244405 0.91164469091521 0.09937123059426 180.948 > 9 11 Ta 0.82951616244405 0.41164469091521 0.59937123059426 180.948 > 9 12 Ta 0.82951616244405 0.91164469091521 0.59937123059426 180.948 > 9 13 Ta 0.82951616244405 0.08835530908479 0.34937123059426 180.948 > 13 14 Ta 0.82951616244405 0.58835530908479 0.34937123059426 180.948 > 13 15 Ta 0.82951616244405 0.08835530908479 0.84937123059426 180.948 > 13 16 Ta 0.82951616244405 0.58835530908479 0.84937123059426 180.948 > 13 17 Ta 0.17048383755595 0.41164469091521 0.15062876940574 180.948 > 17 18 Ta 0.17048383755595 0.91164469091521 0.15062876940574 180.948 > 17 19 Ta 0.17048383755595 0.41164469091521 0.65062876940574 180.948 > 17 20 Ta 0.17048383755595 0.91164469091521 0.65062876940574 180.948 > 17 21 Ta 0.17048383755595 0.08835530908479 0.40062876940574 180.948 > 21 22 Ta 0.17048383755595 0.58835530908479 0.40062876940574 180.948 > 21 23 Ta 0.17048383755595 0.08835530908479 0.90062876940574 180.948 > 21 24 Ta 0.17048383755595 0.58835530908479 0.90062876940574 180.948 > 21 25 Ta 0.32951616244405 0.33835530908479 0.40062876940574 180.948 > 25 26 Ta 0.32951616244405 0.83835530908479 0.40062876940574 180.948 > 25 27 Ta 0.32951616244405 0.33835530908479 0.90062876940574 180.948 > 25 28 Ta 0.32951616244405 0.83835530908479 0.90062876940574 180.948 > 25 29 Ta 0.32951616244405 0.16164469091521 0.15062876940574 180.948 > 29 30 Ta 0.32951616244405 0.66164469091521 0.15062876940574 180.948 > 29 31 Ta 0.32951616244405 0.16164469091521 0.65062876940574 180.948 > 29 32 Ta 0.32951616244405 0.66164469091521 0.65062876940574 180.948 > 29 33 Pb 0.50000000000000 0.39193407425433 0.12500000000000 207.200 > 33 34 Pb 0.50000000000000 0.89193407425433 0.12500000000000 207.200 > 33 35 Pb 0.50000000000000 0.39193407425433 0.62500000000000 207.200 > 33 36 Pb 0.50000000000000 0.89193407425433 0.62500000000000 207.200 > 33 37 Pb 0.50000000000000 0.10806592574567 0.37500000000000 207.200 > 37 38 Pb 0.50000000000000 0.60806592574567 0.37500000000000 207.200 > 37 39 Pb 0.50000000000000 0.10806592574567 0.87500000000000 207.200 > 37 40 Pb 0.50000000000000 0.60806592574567 0.87500000000000 207.200 > 37 41 Pb 0.00000000000000 0.35806592574567 0.37500000000000 207.200 > 41 42 Pb 0.00000000000000 0.85806592574567 0.37500000000000 207.200 > 41 43 Pb 0.00000000000000 0.35806592574567 0.87500000000000 207.200 > 41 44 Pb 0.00000000000000 0.85806592574567 0.87500000000000 207.200 > 41 45 Pb 0.00000000000000 0.14193407425433 0.12500000000000 207.200 > 45 46 Pb 0.00000000000000 0.64193407425433 0.12500000000000 207.200 > 45 47 Pb 0.00000000000000 0.14193407425433 0.62500000000000 207.200 > 45 48 Pb 0.00000000000000 0.64193407425433 0.62500000000000 207.200 > 45 49 O 0.59349630276701 0.44612747674011 0.30459243057797 15.999 > 49 50 O 0.59349630276701 0.94612747674011 0.30459243057797 15.999 > 49 51 O 0.59349630276701 0.44612747674011 0.80459243057797 15.999 > 49 52 O 0.59349630276701 0.94612747674011 0.80459243057797 15.999 > 49 53 O 0.59349630276701 0.05387252325989 0.05459243057797 15.999 > 53 54 O 0.59349630276701 0.55387252325989 0.05459243057797 15.999 > 53 55 O 0.59349630276701 0.05387252325989 0.55459243057797 15.999 > 53 56 O 0.59349630276701 0.55387252325989 0.55459243057797 15.999 > 53 57 O 0.61084641538396 0.28550785814895 0.49893505951494 15.999 > 57 58 O 0.61084641538396 0.78550785814895 0.49893505951494 15.999 > 57 59 O 0.61084641538396 0.28550785814895 0.99893505951494 15.999 > 57 60 O 0.61084641538396 0.78550785814895 0.99893505951494 15.999 > 57 61 O 0.61084641538396 0.21449214185105 0.24893505951494 15.999 > 61 62 O 0.61084641538396 0.71449214185105 0.24893505951494 15.999 > 61 63 O 0.61084641538396 0.21449214185105 0.74893505951494 15.999 > 61 64 O 0.61084641538396 0.71449214185105 0.74893505951494 15.999 > 61 65 O 0.74301738463326 0.17924327722979 0.43694016048066 15.999 > 65 66 O 0.74301738463326 0.67924327722979 0.43694016048066 15.999 > 65 67 O 0.74301738463326 0.17924327722979 0.93694016048066 15.999 > 65 68 O 0.74301738463326 0.67924327722979 0.93694016048066 15.999 > 65 69 O 0.74301738463326 0.32075672277021 0.18694016048066 15.999 > 69 70 O 0.74301738463326 0.82075672277021 0.18694016048066 15.999 > 69 71 O 0.74301738463326 0.32075672277021 0.68694016048066 15.999 > 69 72 O 0.74301738463326 0.82075672277021 0.68694016048066 15.999 > 69 73 O 0.75698261536674 0.42924327722979 0.43694016048066 15.999 > 73 74 O 0.75698261536674 0.92924327722979 0.43694016048066 15.999 > 73 75 O 0.75698261536674 0.42924327722979 0.93694016048066 15.999 > 73 76 O 0.75698261536674 0.92924327722979 0.93694016048066 15.999 > 73 77 O 0.75698261536674 0.07075672277021 0.18694016048066 15.999 > 77 78 O 0.75698261536674 0.57075672277021 0.18694016048066 15.999 > 77 79 O 0.75698261536674 0.07075672277021 0.68694016048066 15.999 > 77 80 O 0.75698261536674 0.57075672277021 0.68694016048066 15.999 > 77 81 O 0.88915358461604 0.46449214185105 0.24893505951494 15.999 > 81 82 O 0.88915358461604 0.96449214185105 0.24893505951494 15.999 > 81 83 O 0.88915358461604 0.46449214185105 0.74893505951494 15.999 > 81 84 O 0.88915358461604 0.96449214185105 0.74893505951494 15.999 > 81 85 O 0.88915358461604 0.03550785814895 0.49893505951494 15.999 > 85 86 O 0.88915358461604 0.53550785814895 0.49893505951494 15.999 > 85 87 O 0.88915358461604 0.03550785814895 0.99893505951494 15.999 > 85 88 O 0.88915358461604 0.53550785814895 0.99893505951494 15.999 > 85 89 O 0.90650369723299 0.30387252325989 0.05459243057797 15.999 > 89 90 O 0.90650369723299 0.80387252325989 0.05459243057797 15.999 > 89 91 O 0.90650369723299 0.30387252325989 0.55459243057797 15.999 > 89 92 O 0.90650369723299 0.80387252325989 0.55459243057797 15.999 > 89 93 O 0.90650369723299 0.19612747674011 0.30459243057797 15.999 > 93 94 O 0.90650369723299 0.69612747674011 0.30459243057797 15.999 > 93 95 O 0.90650369723299 0.19612747674011 0.80459243057797 15.999 > 93 96 O 0.90650369723299 0.69612747674011 0.80459243057797 15.999 > 93 97 O 0.09349630276701 0.30387252325989 0.19540756942203 15.999 > 97 98 O 0.09349630276701 0.80387252325989 0.19540756942203 15.999 > 97 99 O 0.09349630276701 0.30387252325989 0.69540756942203 15.999 > 97 100 O 0.09349630276701 0.80387252325989 0.69540756942203 15.999 > 97 101 O 0.09349630276701 0.19612747674011 0.44540756942203 15.999 > 101 102 O 0.09349630276701 0.69612747674011 0.44540756942203 15.999 > 101 103 O 0.09349630276701 0.19612747674011 0.94540756942203 15.999 > 101 104 O 0.09349630276701 0.69612747674011 0.94540756942203 15.999 > 101 105 O 0.11084641538396 0.46449214185105 0.00106494048506 15.999 > 105 106 O 0.11084641538396 0.96449214185105 0.00106494048506 15.999 > 105 107 O 0.11084641538396 0.46449214185105 0.50106494048506 15.999 > 105 108 O 0.11084641538396 0.96449214185105 0.50106494048506 15.999 > 105 109 O 0.11084641538396 0.03550785814895 0.25106494048506 15.999 > 109 110 O 0.11084641538396 0.53550785814895 0.25106494048506 15.999 > 109 111 O 0.11084641538396 0.03550785814895 0.75106494048506 15.999 > 109 112 O 0.11084641538396 0.53550785814895 0.75106494048506 15.999 > 109 113 O 0.24301738463326 0.42924327722979 0.31305983951934 15.999 > 113 114 O 0.24301738463326 0.92924327722979 0.31305983951934 15.999 > 113 115 O 0.24301738463326 0.42924327722979 0.81305983951934 15.999 > 113 116 O 0.24301738463326 0.92924327722979 0.81305983951934 15.999 > 113 117 O 0.24301738463326 0.07075672277021 0.06305983951934 15.999 > 117 118 O 0.24301738463326 0.57075672277021 0.06305983951934 15.999 > 117 119 O 0.24301738463326 0.07075672277021 0.56305983951934 15.999 > 117 120 O 0.24301738463326 0.57075672277021 0.56305983951934 15.999 > 117 121 O 0.25698261536674 0.32075672277021 0.06305983951934 15.999 > 121 122 O 0.25698261536674 0.82075672277021 0.06305983951934 15.999 > 121 123 O 0.25698261536674 0.32075672277021 0.56305983951934 15.999 > 121 124 O 0.25698261536674 0.82075672277021 0.56305983951934 15.999 > 121 125 O 0.25698261536674 0.17924327722979 0.31305983951934 15.999 > 125 126 O 0.25698261536674 0.67924327722979 0.31305983951934 15.999 > 125 127 O 0.25698261536674 0.17924327722979 0.81305983951934 15.999 > 125 128 O 0.25698261536674 0.67924327722979 0.81305983951934 15.999 > 125 129 O 0.38915358461604 0.28550785814895 0.25106494048506 15.999 > 129 130 O 0.38915358461604 0.78550785814895 0.25106494048506 15.999 > 129 131 O 0.38915358461604 0.28550785814895 0.75106494048506 15.999 > 129 132 O 0.38915358461604 0.78550785814895 0.75106494048506 15.999 > 129 133 O 0.38915358461604 0.21449214185105 0.00106494048506 15.999 > 133 134 O 0.38915358461604 0.71449214185105 0.00106494048506 15.999 > 133 135 O 0.38915358461604 0.21449214185105 0.50106494048506 15.999 > 133 136 O 0.38915358461604 0.71449214185105 0.50106494048506 15.999 > 133 137 O 0.40650369723299 0.44612747674011 0.44540756942203 15.999 > 137 138 O 0.40650369723299 0.94612747674011 0.44540756942203 15.999 > 137 139 O 0.40650369723299 0.44612747674011 0.94540756942203 15.999 > 137 140 O 0.40650369723299 0.94612747674011 0.94540756942203 15.999 > 137 141 O 0.40650369723299 0.05387252325989 0.19540756942203 15.999 > 141 142 O 0.40650369723299 0.55387252325989 0.19540756942203 15.999 > 141 143 O 0.40650369723299 0.05387252325989 0.69540756942203 15.999 > 141 144 O 0.40650369723299 0.55387252325989 0.69540756942203 15.999 > 141 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 5.7774831 0.0000000 0.0000000 0.0000000 5.1181522 0.0000000 0.0000000 0.0000000 5.4655846 -------------------------- Born effective charges -------------------------- 1 Ta 5.9967473 0.0601603 0.1743805 0.9328768 5.7903049 -0.3407940 0.2698640 0.3854712 6.6938407 2 Ta 5.9967473 -0.0601603 0.1743805 -0.9328768 5.7903049 0.3407940 0.2698640 -0.3854712 6.6938407 3 Ta 5.9967473 0.0601603 -0.1743805 0.9328768 5.7903049 0.3407940 -0.2698640 -0.3854712 6.6938407 4 Ta 5.9967473 -0.0601603 -0.1743805 -0.9328768 5.7903049 -0.3407940 -0.2698640 0.3854712 6.6938407 5 Ta 5.9967473 -0.0601603 -0.1743805 -0.9328768 5.7903049 -0.3407940 -0.2698640 0.3854712 6.6938407 6 Ta 5.9967473 0.0601603 -0.1743805 0.9328768 5.7903049 0.3407940 -0.2698640 -0.3854712 6.6938407 7 Ta 5.9967473 -0.0601603 0.1743805 -0.9328768 5.7903049 0.3407940 0.2698640 -0.3854712 6.6938407 8 Ta 5.9967473 0.0601603 0.1743805 0.9328768 5.7903049 -0.3407940 0.2698640 0.3854712 6.6938407 9 Pb 4.6910104 0.0000000 0.0918684 0.0000000 3.3996300 0.0000000 -0.1241322 0.0000000 3.3598793 10 Pb 4.6910104 0.0000000 0.0918684 0.0000000 3.3996300 0.0000000 -0.1241322 0.0000000 3.3598793 11 Pb 4.6910104 0.0000000 -0.0918684 0.0000000 3.3996300 0.0000000 0.1241322 0.0000000 3.3598793 12 Pb 4.6910104 0.0000000 -0.0918684 0.0000000 3.3996300 0.0000000 0.1241322 0.0000000 3.3598793 13 O -3.0195282 1.6772926 -0.8513442 1.4549941 -2.6685500 0.0601483 -0.9103387 0.0593798 -1.8219773 14 O -3.0195282 -1.6772926 -0.8513442 -1.4549941 -2.6685500 -0.0601483 -0.9103387 -0.0593798 -1.8219773 15 O -2.2044074 0.4958592 0.7368192 0.4002921 -2.5360938 0.9138790 0.8750588 1.1545728 -3.5297282 16 O -2.2044074 -0.4958592 0.7368192 -0.4002921 -2.5360938 -0.9138790 0.8750588 -1.1545728 -3.5297282 17 O -3.1183168 1.3825224 1.4462681 1.4262028 -2.2854761 -0.2914588 1.5338183 -0.2364420 -3.0220749 18 O -3.1183168 -1.3825224 1.4462681 -1.4262028 -2.2854761 0.2914588 1.5338183 0.2364420 -3.0220749 19 O -3.1183168 -1.3825224 -1.4462681 -1.4262028 -2.2854761 -0.2914588 -1.5338183 -0.2364420 -3.0220749 20 O -3.1183168 1.3825224 -1.4462681 1.4262028 -2.2854761 0.2914588 -1.5338183 0.2364420 -3.0220749 21 O -2.2044074 0.4958592 -0.7368192 0.4002921 -2.5360938 -0.9138790 -0.8750588 -1.1545728 -3.5297282 22 O -2.2044074 -0.4958592 -0.7368192 -0.4002921 -2.5360938 0.9138790 -0.8750588 1.1545728 -3.5297282 23 O -3.0195282 1.6772926 0.8513442 1.4549941 -2.6685500 -0.0601483 0.9103387 -0.0593798 -1.8219773 24 O -3.0195282 -1.6772926 0.8513442 -1.4549941 -2.6685500 0.0601483 0.9103387 0.0593798 -1.8219773 25 O -3.0195282 -1.6772926 0.8513442 -1.4549941 -2.6685500 0.0601483 0.9103387 0.0593798 -1.8219773 26 O -3.0195282 1.6772926 0.8513442 1.4549941 -2.6685500 -0.0601483 0.9103387 -0.0593798 -1.8219773 27 O -2.2044074 -0.4958592 -0.7368192 -0.4002921 -2.5360938 0.9138790 -0.8750588 1.1545728 -3.5297282 28 O -2.2044074 0.4958592 -0.7368192 0.4002921 -2.5360938 -0.9138790 -0.8750588 -1.1545728 -3.5297282 29 O -3.1183168 1.3825224 -1.4462681 1.4262028 -2.2854761 0.2914588 -1.5338183 0.2364420 -3.0220749 30 O -3.1183168 -1.3825224 -1.4462681 -1.4262028 -2.2854761 -0.2914588 -1.5338183 -0.2364420 -3.0220749 31 O -3.1183168 1.3825224 1.4462681 1.4262028 -2.2854761 -0.2914588 1.5338183 -0.2364420 -3.0220749 32 O -3.1183168 -1.3825224 1.4462681 -1.4262028 -2.2854761 0.2914588 1.5338183 0.2364420 -3.0220749 33 O -2.2044074 -0.4958592 0.7368192 -0.4002921 -2.5360938 -0.9138790 0.8750588 -1.1545728 -3.5297282 34 O -2.2044074 0.4958592 0.7368192 0.4002921 -2.5360938 0.9138790 0.8750588 1.1545728 -3.5297282 35 O -3.0195282 -1.6772926 -0.8513442 -1.4549941 -2.6685500 -0.0601483 -0.9103387 -0.0593798 -1.8219773 36 O -3.0195282 1.6772926 -0.8513442 1.4549941 -2.6685500 0.0601483 -0.9103387 0.0593798 -1.8219773 ---------------------------------------------------------------------------- Sets of supercell forces were read from "FORCES_FC3.xz". Displacement dataset for fc3 was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". ----------------------------- Force constants ------------------------------ Computing fc3[ 1, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 33, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 49, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 57, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 65, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Expanding fc3. Symmetrizing fc3 by traditional approach (N=3). Symmetrizing fc2 by traditional approach (N=3). Max drift of fc3: 0.00000013 (yyy) 0.00000013 (yyy) 0.00000013 (yyy) fc3 was written into "fc3.hdf5". Max drift of fc2: 0.00000004 (xz) 0.00000004 (xz) fc2 was written into "fc2.hdf5". --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperatures: 0.0 300.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 ----------- None of ph-ph interaction calculation was performed. ----------- Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-09 02:30:20]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-09 02:30:21]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: conductivity-RTA HDF5 data compression filter: gzip Crystal structure was read from "phono3py.yaml". Supercell (dim): [1 2 2] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: Pbcn (60) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 15.744568460000000 0.000000000000000 0.000000000000000 b 0.000000000000000 5.884433039999999 0.000000000000000 c 0.000000000000000 0.000000000000000 5.262171339999999 Atomic positions (fractional): 1 Ta 0.67048383755595 0.67671061816958 0.69874246118852 180.948 2 Ta 0.67048383755595 0.32328938183042 0.19874246118852 180.948 3 Ta 0.82951616244405 0.82328938183042 0.19874246118852 180.948 4 Ta 0.82951616244405 0.17671061816958 0.69874246118852 180.948 5 Ta 0.17048383755595 0.82328938183042 0.30125753881148 180.948 6 Ta 0.17048383755595 0.17671061816958 0.80125753881148 180.948 7 Ta 0.32951616244405 0.67671061816958 0.80125753881148 180.948 8 Ta 0.32951616244405 0.32328938183042 0.30125753881148 180.948 9 Pb 0.50000000000000 0.78386814850867 0.25000000000000 207.200 10 Pb 0.50000000000000 0.21613185149133 0.75000000000000 207.200 11 Pb 0.00000000000000 0.71613185149133 0.75000000000000 207.200 12 Pb 0.00000000000000 0.28386814850866 0.25000000000000 207.200 13 O 0.59349630276701 0.89225495348021 0.60918486115594 15.999 14 O 0.59349630276701 0.10774504651979 0.10918486115594 15.999 15 O 0.61084641538396 0.57101571629790 0.99787011902987 15.999 16 O 0.61084641538396 0.42898428370210 0.49787011902987 15.999 17 O 0.74301738463326 0.35848655445957 0.87388032096133 15.999 18 O 0.74301738463326 0.64151344554043 0.37388032096133 15.999 19 O 0.75698261536674 0.85848655445957 0.87388032096133 15.999 20 O 0.75698261536674 0.14151344554043 0.37388032096133 15.999 21 O 0.88915358461604 0.92898428370210 0.49787011902987 15.999 22 O 0.88915358461604 0.07101571629790 0.99787011902987 15.999 23 O 0.90650369723299 0.60774504651979 0.10918486115594 15.999 24 O 0.90650369723299 0.39225495348021 0.60918486115594 15.999 25 O 0.09349630276701 0.60774504651979 0.39081513884406 15.999 26 O 0.09349630276701 0.39225495348021 0.89081513884406 15.999 27 O 0.11084641538396 0.92898428370210 0.00212988097013 15.999 28 O 0.11084641538396 0.07101571629790 0.50212988097013 15.999 29 O 0.24301738463326 0.85848655445957 0.62611967903867 15.999 30 O 0.24301738463326 0.14151344554043 0.12611967903867 15.999 31 O 0.25698261536674 0.64151344554043 0.12611967903867 15.999 32 O 0.25698261536674 0.35848655445957 0.62611967903867 15.999 33 O 0.38915358461604 0.57101571629790 0.50212988097013 15.999 34 O 0.38915358461604 0.42898428370210 0.00212988097013 15.999 35 O 0.40650369723299 0.89225495348021 0.89081513884406 15.999 36 O 0.40650369723299 0.10774504651979 0.39081513884406 15.999 -------------------------------- supercell --------------------------------- Lattice vectors: a 15.744568460000000 0.000000000000000 0.000000000000000 b 0.000000000000000 11.768866079999999 0.000000000000000 c 0.000000000000000 0.000000000000000 10.524342679999998 Atomic positions (fractional): 1 Ta 0.67048383755595 0.33835530908479 0.34937123059426 180.948 > 1 2 Ta 0.67048383755595 0.83835530908479 0.34937123059426 180.948 > 1 3 Ta 0.67048383755595 0.33835530908479 0.84937123059426 180.948 > 1 4 Ta 0.67048383755595 0.83835530908479 0.84937123059426 180.948 > 1 5 Ta 0.67048383755595 0.16164469091521 0.09937123059426 180.948 > 5 6 Ta 0.67048383755595 0.66164469091521 0.09937123059426 180.948 > 5 7 Ta 0.67048383755595 0.16164469091521 0.59937123059426 180.948 > 5 8 Ta 0.67048383755595 0.66164469091521 0.59937123059426 180.948 > 5 9 Ta 0.82951616244405 0.41164469091521 0.09937123059426 180.948 > 9 10 Ta 0.82951616244405 0.91164469091521 0.09937123059426 180.948 > 9 11 Ta 0.82951616244405 0.41164469091521 0.59937123059426 180.948 > 9 12 Ta 0.82951616244405 0.91164469091521 0.59937123059426 180.948 > 9 13 Ta 0.82951616244405 0.08835530908479 0.34937123059426 180.948 > 13 14 Ta 0.82951616244405 0.58835530908479 0.34937123059426 180.948 > 13 15 Ta 0.82951616244405 0.08835530908479 0.84937123059426 180.948 > 13 16 Ta 0.82951616244405 0.58835530908479 0.84937123059426 180.948 > 13 17 Ta 0.17048383755595 0.41164469091521 0.15062876940574 180.948 > 17 18 Ta 0.17048383755595 0.91164469091521 0.15062876940574 180.948 > 17 19 Ta 0.17048383755595 0.41164469091521 0.65062876940574 180.948 > 17 20 Ta 0.17048383755595 0.91164469091521 0.65062876940574 180.948 > 17 21 Ta 0.17048383755595 0.08835530908479 0.40062876940574 180.948 > 21 22 Ta 0.17048383755595 0.58835530908479 0.40062876940574 180.948 > 21 23 Ta 0.17048383755595 0.08835530908479 0.90062876940574 180.948 > 21 24 Ta 0.17048383755595 0.58835530908479 0.90062876940574 180.948 > 21 25 Ta 0.32951616244405 0.33835530908479 0.40062876940574 180.948 > 25 26 Ta 0.32951616244405 0.83835530908479 0.40062876940574 180.948 > 25 27 Ta 0.32951616244405 0.33835530908479 0.90062876940574 180.948 > 25 28 Ta 0.32951616244405 0.83835530908479 0.90062876940574 180.948 > 25 29 Ta 0.32951616244405 0.16164469091521 0.15062876940574 180.948 > 29 30 Ta 0.32951616244405 0.66164469091521 0.15062876940574 180.948 > 29 31 Ta 0.32951616244405 0.16164469091521 0.65062876940574 180.948 > 29 32 Ta 0.32951616244405 0.66164469091521 0.65062876940574 180.948 > 29 33 Pb 0.50000000000000 0.39193407425433 0.12500000000000 207.200 > 33 34 Pb 0.50000000000000 0.89193407425433 0.12500000000000 207.200 > 33 35 Pb 0.50000000000000 0.39193407425433 0.62500000000000 207.200 > 33 36 Pb 0.50000000000000 0.89193407425433 0.62500000000000 207.200 > 33 37 Pb 0.50000000000000 0.10806592574567 0.37500000000000 207.200 > 37 38 Pb 0.50000000000000 0.60806592574567 0.37500000000000 207.200 > 37 39 Pb 0.50000000000000 0.10806592574567 0.87500000000000 207.200 > 37 40 Pb 0.50000000000000 0.60806592574567 0.87500000000000 207.200 > 37 41 Pb 0.00000000000000 0.35806592574567 0.37500000000000 207.200 > 41 42 Pb 0.00000000000000 0.85806592574567 0.37500000000000 207.200 > 41 43 Pb 0.00000000000000 0.35806592574567 0.87500000000000 207.200 > 41 44 Pb 0.00000000000000 0.85806592574567 0.87500000000000 207.200 > 41 45 Pb 0.00000000000000 0.14193407425433 0.12500000000000 207.200 > 45 46 Pb 0.00000000000000 0.64193407425433 0.12500000000000 207.200 > 45 47 Pb 0.00000000000000 0.14193407425433 0.62500000000000 207.200 > 45 48 Pb 0.00000000000000 0.64193407425433 0.62500000000000 207.200 > 45 49 O 0.59349630276701 0.44612747674011 0.30459243057797 15.999 > 49 50 O 0.59349630276701 0.94612747674011 0.30459243057797 15.999 > 49 51 O 0.59349630276701 0.44612747674011 0.80459243057797 15.999 > 49 52 O 0.59349630276701 0.94612747674011 0.80459243057797 15.999 > 49 53 O 0.59349630276701 0.05387252325989 0.05459243057797 15.999 > 53 54 O 0.59349630276701 0.55387252325989 0.05459243057797 15.999 > 53 55 O 0.59349630276701 0.05387252325989 0.55459243057797 15.999 > 53 56 O 0.59349630276701 0.55387252325989 0.55459243057797 15.999 > 53 57 O 0.61084641538396 0.28550785814895 0.49893505951494 15.999 > 57 58 O 0.61084641538396 0.78550785814895 0.49893505951494 15.999 > 57 59 O 0.61084641538396 0.28550785814895 0.99893505951494 15.999 > 57 60 O 0.61084641538396 0.78550785814895 0.99893505951494 15.999 > 57 61 O 0.61084641538396 0.21449214185105 0.24893505951494 15.999 > 61 62 O 0.61084641538396 0.71449214185105 0.24893505951494 15.999 > 61 63 O 0.61084641538396 0.21449214185105 0.74893505951494 15.999 > 61 64 O 0.61084641538396 0.71449214185105 0.74893505951494 15.999 > 61 65 O 0.74301738463326 0.17924327722979 0.43694016048066 15.999 > 65 66 O 0.74301738463326 0.67924327722979 0.43694016048066 15.999 > 65 67 O 0.74301738463326 0.17924327722979 0.93694016048066 15.999 > 65 68 O 0.74301738463326 0.67924327722979 0.93694016048066 15.999 > 65 69 O 0.74301738463326 0.32075672277021 0.18694016048066 15.999 > 69 70 O 0.74301738463326 0.82075672277021 0.18694016048066 15.999 > 69 71 O 0.74301738463326 0.32075672277021 0.68694016048066 15.999 > 69 72 O 0.74301738463326 0.82075672277021 0.68694016048066 15.999 > 69 73 O 0.75698261536674 0.42924327722979 0.43694016048066 15.999 > 73 74 O 0.75698261536674 0.92924327722979 0.43694016048066 15.999 > 73 75 O 0.75698261536674 0.42924327722979 0.93694016048066 15.999 > 73 76 O 0.75698261536674 0.92924327722979 0.93694016048066 15.999 > 73 77 O 0.75698261536674 0.07075672277021 0.18694016048066 15.999 > 77 78 O 0.75698261536674 0.57075672277021 0.18694016048066 15.999 > 77 79 O 0.75698261536674 0.07075672277021 0.68694016048066 15.999 > 77 80 O 0.75698261536674 0.57075672277021 0.68694016048066 15.999 > 77 81 O 0.88915358461604 0.46449214185105 0.24893505951494 15.999 > 81 82 O 0.88915358461604 0.96449214185105 0.24893505951494 15.999 > 81 83 O 0.88915358461604 0.46449214185105 0.74893505951494 15.999 > 81 84 O 0.88915358461604 0.96449214185105 0.74893505951494 15.999 > 81 85 O 0.88915358461604 0.03550785814895 0.49893505951494 15.999 > 85 86 O 0.88915358461604 0.53550785814895 0.49893505951494 15.999 > 85 87 O 0.88915358461604 0.03550785814895 0.99893505951494 15.999 > 85 88 O 0.88915358461604 0.53550785814895 0.99893505951494 15.999 > 85 89 O 0.90650369723299 0.30387252325989 0.05459243057797 15.999 > 89 90 O 0.90650369723299 0.80387252325989 0.05459243057797 15.999 > 89 91 O 0.90650369723299 0.30387252325989 0.55459243057797 15.999 > 89 92 O 0.90650369723299 0.80387252325989 0.55459243057797 15.999 > 89 93 O 0.90650369723299 0.19612747674011 0.30459243057797 15.999 > 93 94 O 0.90650369723299 0.69612747674011 0.30459243057797 15.999 > 93 95 O 0.90650369723299 0.19612747674011 0.80459243057797 15.999 > 93 96 O 0.90650369723299 0.69612747674011 0.80459243057797 15.999 > 93 97 O 0.09349630276701 0.30387252325989 0.19540756942203 15.999 > 97 98 O 0.09349630276701 0.80387252325989 0.19540756942203 15.999 > 97 99 O 0.09349630276701 0.30387252325989 0.69540756942203 15.999 > 97 100 O 0.09349630276701 0.80387252325989 0.69540756942203 15.999 > 97 101 O 0.09349630276701 0.19612747674011 0.44540756942203 15.999 > 101 102 O 0.09349630276701 0.69612747674011 0.44540756942203 15.999 > 101 103 O 0.09349630276701 0.19612747674011 0.94540756942203 15.999 > 101 104 O 0.09349630276701 0.69612747674011 0.94540756942203 15.999 > 101 105 O 0.11084641538396 0.46449214185105 0.00106494048506 15.999 > 105 106 O 0.11084641538396 0.96449214185105 0.00106494048506 15.999 > 105 107 O 0.11084641538396 0.46449214185105 0.50106494048506 15.999 > 105 108 O 0.11084641538396 0.96449214185105 0.50106494048506 15.999 > 105 109 O 0.11084641538396 0.03550785814895 0.25106494048506 15.999 > 109 110 O 0.11084641538396 0.53550785814895 0.25106494048506 15.999 > 109 111 O 0.11084641538396 0.03550785814895 0.75106494048506 15.999 > 109 112 O 0.11084641538396 0.53550785814895 0.75106494048506 15.999 > 109 113 O 0.24301738463326 0.42924327722979 0.31305983951934 15.999 > 113 114 O 0.24301738463326 0.92924327722979 0.31305983951934 15.999 > 113 115 O 0.24301738463326 0.42924327722979 0.81305983951934 15.999 > 113 116 O 0.24301738463326 0.92924327722979 0.81305983951934 15.999 > 113 117 O 0.24301738463326 0.07075672277021 0.06305983951934 15.999 > 117 118 O 0.24301738463326 0.57075672277021 0.06305983951934 15.999 > 117 119 O 0.24301738463326 0.07075672277021 0.56305983951934 15.999 > 117 120 O 0.24301738463326 0.57075672277021 0.56305983951934 15.999 > 117 121 O 0.25698261536674 0.32075672277021 0.06305983951934 15.999 > 121 122 O 0.25698261536674 0.82075672277021 0.06305983951934 15.999 > 121 123 O 0.25698261536674 0.32075672277021 0.56305983951934 15.999 > 121 124 O 0.25698261536674 0.82075672277021 0.56305983951934 15.999 > 121 125 O 0.25698261536674 0.17924327722979 0.31305983951934 15.999 > 125 126 O 0.25698261536674 0.67924327722979 0.31305983951934 15.999 > 125 127 O 0.25698261536674 0.17924327722979 0.81305983951934 15.999 > 125 128 O 0.25698261536674 0.67924327722979 0.81305983951934 15.999 > 125 129 O 0.38915358461604 0.28550785814895 0.25106494048506 15.999 > 129 130 O 0.38915358461604 0.78550785814895 0.25106494048506 15.999 > 129 131 O 0.38915358461604 0.28550785814895 0.75106494048506 15.999 > 129 132 O 0.38915358461604 0.78550785814895 0.75106494048506 15.999 > 129 133 O 0.38915358461604 0.21449214185105 0.00106494048506 15.999 > 133 134 O 0.38915358461604 0.71449214185105 0.00106494048506 15.999 > 133 135 O 0.38915358461604 0.21449214185105 0.50106494048506 15.999 > 133 136 O 0.38915358461604 0.71449214185105 0.50106494048506 15.999 > 133 137 O 0.40650369723299 0.44612747674011 0.44540756942203 15.999 > 137 138 O 0.40650369723299 0.94612747674011 0.44540756942203 15.999 > 137 139 O 0.40650369723299 0.44612747674011 0.94540756942203 15.999 > 137 140 O 0.40650369723299 0.94612747674011 0.94540756942203 15.999 > 137 141 O 0.40650369723299 0.05387252325989 0.19540756942203 15.999 > 141 142 O 0.40650369723299 0.55387252325989 0.19540756942203 15.999 > 141 143 O 0.40650369723299 0.05387252325989 0.69540756942203 15.999 > 141 144 O 0.40650369723299 0.55387252325989 0.69540756942203 15.999 > 141 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 5.7774831 0.0000000 0.0000000 0.0000000 5.1181522 0.0000000 0.0000000 0.0000000 5.4655846 -------------------------- Born effective charges -------------------------- 1 Ta 5.9967473 0.0601603 0.1743805 0.9328768 5.7903049 -0.3407940 0.2698640 0.3854712 6.6938407 2 Ta 5.9967473 -0.0601603 0.1743805 -0.9328768 5.7903049 0.3407940 0.2698640 -0.3854712 6.6938407 3 Ta 5.9967473 0.0601603 -0.1743805 0.9328768 5.7903049 0.3407940 -0.2698640 -0.3854712 6.6938407 4 Ta 5.9967473 -0.0601603 -0.1743805 -0.9328768 5.7903049 -0.3407940 -0.2698640 0.3854712 6.6938407 5 Ta 5.9967473 -0.0601603 -0.1743805 -0.9328768 5.7903049 -0.3407940 -0.2698640 0.3854712 6.6938407 6 Ta 5.9967473 0.0601603 -0.1743805 0.9328768 5.7903049 0.3407940 -0.2698640 -0.3854712 6.6938407 7 Ta 5.9967473 -0.0601603 0.1743805 -0.9328768 5.7903049 0.3407940 0.2698640 -0.3854712 6.6938407 8 Ta 5.9967473 0.0601603 0.1743805 0.9328768 5.7903049 -0.3407940 0.2698640 0.3854712 6.6938407 9 Pb 4.6910104 0.0000000 0.0918684 0.0000000 3.3996300 0.0000000 -0.1241322 0.0000000 3.3598793 10 Pb 4.6910104 0.0000000 0.0918684 0.0000000 3.3996300 0.0000000 -0.1241322 0.0000000 3.3598793 11 Pb 4.6910104 0.0000000 -0.0918684 0.0000000 3.3996300 0.0000000 0.1241322 0.0000000 3.3598793 12 Pb 4.6910104 0.0000000 -0.0918684 0.0000000 3.3996300 0.0000000 0.1241322 0.0000000 3.3598793 13 O -3.0195282 1.6772926 -0.8513442 1.4549941 -2.6685500 0.0601483 -0.9103387 0.0593798 -1.8219773 14 O -3.0195282 -1.6772926 -0.8513442 -1.4549941 -2.6685500 -0.0601483 -0.9103387 -0.0593798 -1.8219773 15 O -2.2044074 0.4958592 0.7368192 0.4002921 -2.5360938 0.9138790 0.8750588 1.1545728 -3.5297282 16 O -2.2044074 -0.4958592 0.7368192 -0.4002921 -2.5360938 -0.9138790 0.8750588 -1.1545728 -3.5297282 17 O -3.1183168 1.3825224 1.4462681 1.4262028 -2.2854761 -0.2914588 1.5338183 -0.2364420 -3.0220749 18 O -3.1183168 -1.3825224 1.4462681 -1.4262028 -2.2854761 0.2914588 1.5338183 0.2364420 -3.0220749 19 O -3.1183168 -1.3825224 -1.4462681 -1.4262028 -2.2854761 -0.2914588 -1.5338183 -0.2364420 -3.0220749 20 O -3.1183168 1.3825224 -1.4462681 1.4262028 -2.2854761 0.2914588 -1.5338183 0.2364420 -3.0220749 21 O -2.2044074 0.4958592 -0.7368192 0.4002921 -2.5360938 -0.9138790 -0.8750588 -1.1545728 -3.5297282 22 O -2.2044074 -0.4958592 -0.7368192 -0.4002921 -2.5360938 0.9138790 -0.8750588 1.1545728 -3.5297282 23 O -3.0195282 1.6772926 0.8513442 1.4549941 -2.6685500 -0.0601483 0.9103387 -0.0593798 -1.8219773 24 O -3.0195282 -1.6772926 0.8513442 -1.4549941 -2.6685500 0.0601483 0.9103387 0.0593798 -1.8219773 25 O -3.0195282 -1.6772926 0.8513442 -1.4549941 -2.6685500 0.0601483 0.9103387 0.0593798 -1.8219773 26 O -3.0195282 1.6772926 0.8513442 1.4549941 -2.6685500 -0.0601483 0.9103387 -0.0593798 -1.8219773 27 O -2.2044074 -0.4958592 -0.7368192 -0.4002921 -2.5360938 0.9138790 -0.8750588 1.1545728 -3.5297282 28 O -2.2044074 0.4958592 -0.7368192 0.4002921 -2.5360938 -0.9138790 -0.8750588 -1.1545728 -3.5297282 29 O -3.1183168 1.3825224 -1.4462681 1.4262028 -2.2854761 0.2914588 -1.5338183 0.2364420 -3.0220749 30 O -3.1183168 -1.3825224 -1.4462681 -1.4262028 -2.2854761 -0.2914588 -1.5338183 -0.2364420 -3.0220749 31 O -3.1183168 1.3825224 1.4462681 1.4262028 -2.2854761 -0.2914588 1.5338183 -0.2364420 -3.0220749 32 O -3.1183168 -1.3825224 1.4462681 -1.4262028 -2.2854761 0.2914588 1.5338183 0.2364420 -3.0220749 33 O -2.2044074 -0.4958592 0.7368192 -0.4002921 -2.5360938 -0.9138790 0.8750588 -1.1545728 -3.5297282 34 O -2.2044074 0.4958592 0.7368192 0.4002921 -2.5360938 0.9138790 0.8750588 1.1545728 -3.5297282 35 O -3.0195282 -1.6772926 -0.8513442 -1.4549941 -2.6685500 -0.0601483 -0.9103387 -0.0593798 -1.8219773 36 O -3.0195282 1.6772926 -0.8513442 1.4549941 -2.6685500 0.0601483 -0.9103387 0.0593798 -1.8219773 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: 0.00000013 (yyy) 0.00000013 (yyy) 0.00000013 (yyy) 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 ... [ 3 8 10 ] fc3-r2q-transformation over three atoms: True --------------------------- Phonon calculations ---------------------------- Use NAC by Gonze et al. (no real space sum in current implementation) PRB 50, 13035(R) (1994), PRB 55, 10355 (1997) G-cutoff distance: 0.53, Number of G-points: 303, Lambda: 0.13 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/60) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 1.94e-05 1.94e-05 1.94e-05 1.94e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.000 ( 0.000 0.000 0.000) 0.000 0.000 ( 0.000 0.000 0.000) 0.000 0.000 ( 0.000 0.000 0.000) 0.000 1.281 ( 0.000 0.000 0.000) 0.000 1.323 ( 0.000 0.000 0.000) 0.000 1.328 ( 0.000 0.000 0.000) 0.000 1.622 ( 0.000 0.000 0.000) 0.000 1.698 ( 0.000 0.000 0.000) 0.000 1.781 ( 0.000 0.000 0.000) 0.000 2.080 ( 0.000 0.000 0.000) 0.000 2.149 ( 0.000 0.000 0.000) 0.000 2.174 ( 0.000 0.000 0.000) 0.000 2.429 ( 0.000 0.000 0.000) 0.000 2.438 ( 0.000 0.000 0.000) 0.000 2.508 ( 0.000 0.000 0.000) 0.000 2.580 ( 0.000 0.000 0.000) 0.000 2.601 ( 0.000 0.000 0.000) 0.000 2.712 ( 0.000 0.000 0.000) 0.000 2.859 ( 0.000 0.000 0.000) 0.000 2.930 ( 0.000 0.000 0.000) 0.000 3.184 ( 0.000 0.000 0.000) 0.000 3.188 ( 0.000 0.000 0.000) 0.000 3.505 ( 0.000 0.000 0.000) 0.000 3.692 ( 0.000 0.000 0.000) 0.000 3.717 ( 0.000 0.000 0.000) 0.000 3.935 ( 0.000 0.000 0.000) 0.000 4.176 ( 0.000 0.000 0.000) 0.000 4.309 ( 0.000 0.000 0.000) 0.000 4.594 ( 0.000 0.000 0.000) 0.000 4.597 ( 0.000 0.000 0.000) 0.000 4.635 ( 0.000 0.000 0.000) 0.000 4.853 ( 0.000 0.000 0.000) 0.000 4.915 ( 0.000 0.000 0.000) 0.000 5.091 ( 0.000 0.000 0.000) 0.000 5.122 ( 0.000 0.000 0.000) 0.000 5.219 ( 0.000 0.000 0.000) 0.000 5.683 ( 0.000 0.000 0.000) 0.000 5.798 ( 0.000 0.000 0.000) 0.000 5.847 ( 0.000 0.000 0.000) 0.000 5.962 ( 0.000 0.000 0.000) 0.000 6.043 ( 0.000 0.000 0.000) 0.000 6.059 ( 0.000 0.000 0.000) 0.000 6.342 ( 0.000 0.000 0.000) 0.000 6.715 ( 0.000 0.000 0.000) 0.000 6.805 ( 0.000 0.000 0.000) 0.000 6.822 ( 0.000 0.000 0.000) 0.000 6.849 ( 0.000 0.000 0.000) 0.000 6.920 ( 0.000 0.000 0.000) 0.000 6.977 ( 0.000 0.000 0.000) 0.000 7.117 ( 0.000 0.000 0.000) 0.000 7.186 ( 0.000 0.000 0.000) 0.000 7.345 ( 0.000 0.000 0.000) 0.000 7.559 ( 0.000 0.000 0.000) 0.000 7.891 ( 0.000 0.000 0.000) 0.000 7.962 ( 0.000 0.000 0.000) 0.000 8.159 ( 0.000 0.000 0.000) 0.000 8.280 ( 0.000 0.000 0.000) 0.000 8.448 ( 0.000 0.000 0.000) 0.000 8.514 ( 0.000 0.000 0.000) 0.000 8.743 ( 0.000 0.000 0.000) 0.000 8.854 ( 0.000 0.000 0.000) 0.000 9.160 ( 0.000 0.000 0.000) 0.000 9.195 ( 0.000 0.000 0.000) 0.000 9.622 ( 0.000 0.000 0.000) 0.000 9.826 ( 0.000 0.000 0.000) 0.000 10.163 ( 0.000 0.000 0.000) 0.000 10.307 ( 0.000 0.000 0.000) 0.000 10.316 ( 0.000 0.000 0.000) 0.000 10.585 ( 0.000 0.000 0.000) 0.000 10.774 ( 0.000 0.000 0.000) 0.000 11.617 ( 0.000 0.000 0.000) 0.000 11.621 ( 0.000 0.000 0.000) 0.000 11.638 ( 0.000 0.000 0.000) 0.000 12.128 ( 0.000 0.000 0.000) 0.000 12.137 ( 0.000 0.000 0.000) 0.000 12.525 ( 0.000 0.000 0.000) 0.000 13.166 ( 0.000 0.000 0.000) 0.000 13.693 ( 0.000 0.000 0.000) 0.000 13.877 ( 0.000 0.000 0.000) 0.000 14.330 ( 0.000 0.000 0.000) 0.000 14.778 ( 0.000 0.000 0.000) 0.000 14.867 ( 0.000 0.000 0.000) 0.000 15.016 ( 0.000 0.000 0.000) 0.000 15.294 ( 0.000 0.000 0.000) 0.000 16.436 ( 0.000 0.000 0.000) 0.000 16.445 ( 0.000 0.000 0.000) 0.000 17.453 ( 0.000 0.000 0.000) 0.000 17.834 ( 0.000 0.000 0.000) 0.000 18.163 ( 0.000 0.000 0.000) 0.000 18.510 ( 0.000 0.000 0.000) 0.000 18.557 ( 0.000 0.000 0.000) 0.000 18.584 ( 0.000 0.000 0.000) 0.000 19.459 ( 0.000 0.000 0.000) 0.000 19.591 ( 0.000 0.000 0.000) 0.000 19.985 ( 0.000 0.000 0.000) 0.000 20.622 ( 0.000 0.000 0.000) 0.000 20.796 ( 0.000 0.000 0.000) 0.000 20.875 ( 0.000 0.000 0.000) 0.000 21.433 ( 0.000 0.000 0.000) 0.000 24.295 ( 0.000 0.000 0.000) 0.000 24.333 ( 0.000 0.000 0.000) 0.000 24.492 ( 0.000 0.000 0.000) 0.000 24.951 ( 0.000 0.000 0.000) 0.000 24.990 ( 0.000 0.000 0.000) 0.000 25.030 ( 0.000 0.000 0.000) 0.000 25.038 ( 0.000 0.000 0.000) 0.000 25.087 ( 0.000 0.000 0.000) 0.000 25.232 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/60) ======================= q-point: ( 0.33 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 1.94e-05 1.94e-05 1.94e-05 1.94e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.468 ( 21.714 0.000 0.000) 21.714 0.555 ( 24.907 0.000 0.000) 24.907 0.911 ( -19.894 0.000 0.000) 19.894 0.927 ( 28.478 0.000 0.000) 28.478 1.078 ( -4.272 0.000 0.000) 4.272 1.592 ( 9.919 0.000 0.000) 9.919 1.736 ( -4.290 0.000 0.000) 4.290 1.796 ( 8.631 0.000 0.000) 8.631 1.816 ( 11.685 0.000 0.000) 11.685 1.825 ( -32.571 0.000 0.000) 32.571 1.989 ( -7.840 0.000 0.000) 7.840 2.068 ( -14.052 0.000 0.000) 14.052 2.338 ( 2.632 0.000 0.000) 2.632 2.403 ( -2.389 0.000 0.000) 2.389 2.462 ( 1.831 0.000 0.000) 1.831 2.497 ( -1.146 0.000 0.000) 1.146 2.738 ( 2.383 0.000 0.000) 2.383 2.808 ( -3.798 0.000 0.000) 3.798 3.204 ( 0.985 0.000 0.000) 0.985 3.204 ( 0.989 0.000 0.000) 0.989 3.311 ( 12.752 0.000 0.000) 12.752 3.335 ( 3.126 0.000 0.000) 3.126 3.614 ( 2.875 0.000 0.000) 2.875 3.829 ( -9.947 0.000 0.000) 9.947 3.858 ( 6.760 0.000 0.000) 6.760 3.976 ( -4.137 0.000 0.000) 4.137 4.185 ( 1.228 0.000 0.000) 1.228 4.243 ( -4.101 0.000 0.000) 4.101 4.604 ( 0.717 0.000 0.000) 0.717 4.625 ( -1.111 0.000 0.000) 1.111 4.684 ( 6.344 0.000 0.000) 6.344 4.805 ( -4.368 0.000 0.000) 4.368 4.961 ( 4.089 0.000 0.000) 4.089 5.064 ( -4.759 0.000 0.000) 4.759 5.118 ( 2.424 0.000 0.000) 2.424 5.181 ( -3.034 0.000 0.000) 3.034 5.826 ( 1.854 0.000 0.000) 1.854 5.849 ( -0.168 0.000 0.000) 0.168 5.972 ( 1.050 0.000 0.000) 1.050 6.005 ( -1.919 0.000 0.000) 1.919 6.095 ( 1.535 0.000 0.000) 1.535 6.112 ( -0.146 0.000 0.000) 0.146 6.435 ( 6.561 0.000 0.000) 6.561 6.618 ( -10.130 0.000 0.000) 10.130 6.739 ( 1.396 0.000 0.000) 1.396 6.781 ( -2.016 0.000 0.000) 2.016 6.894 ( 3.439 0.000 0.000) 3.439 6.949 ( -1.874 0.000 0.000) 1.874 7.082 ( -2.622 0.000 0.000) 2.622 7.090 ( -4.650 0.000 0.000) 4.650 7.111 ( 9.894 0.000 0.000) 9.894 7.282 ( -5.817 0.000 0.000) 5.817 7.706 ( 9.982 0.000 0.000) 9.982 7.891 ( -6.547 0.000 0.000) 6.547 7.937 ( 4.477 0.000 0.000) 4.477 8.090 ( -10.000 0.000 0.000) 10.000 8.435 ( 0.534 0.000 0.000) 0.534 8.478 ( -2.734 0.000 0.000) 2.734 8.806 ( 15.853 0.000 0.000) 15.853 8.827 ( 4.156 0.000 0.000) 4.156 8.861 ( 0.161 0.000 0.000) 0.161 9.091 ( -9.791 0.000 0.000) 9.791 9.254 ( 9.241 0.000 0.000) 9.241 9.494 ( -10.812 0.000 0.000) 10.812 9.883 ( 2.878 0.000 0.000) 2.878 9.995 ( -8.006 0.000 0.000) 8.006 10.375 ( 5.959 0.000 0.000) 5.959 10.515 ( 10.966 0.000 0.000) 10.966 10.517 ( -6.083 0.000 0.000) 6.083 10.704 ( -6.415 0.000 0.000) 6.415 11.530 ( -0.205 0.000 0.000) 0.205 11.577 ( -3.187 0.000 0.000) 3.187 11.856 ( 11.116 0.000 0.000) 11.116 12.058 ( -7.189 0.000 0.000) 7.189 12.526 ( 0.089 0.000 0.000) 0.089 12.528 ( -0.091 0.000 0.000) 0.091 13.261 ( 8.694 0.000 0.000) 8.694 13.505 ( -13.034 0.000 0.000) 13.034 14.523 ( 13.334 0.000 0.000) 13.334 14.771 ( -8.812 0.000 0.000) 8.812 14.828 ( 4.496 0.000 0.000) 4.496 14.944 ( -5.588 0.000 0.000) 5.588 15.323 ( 1.967 0.000 0.000) 1.967 15.356 ( -1.002 0.000 0.000) 1.002 16.438 ( 0.207 0.000 0.000) 0.207 16.443 ( -0.195 0.000 0.000) 0.195 17.892 ( 4.994 0.000 0.000) 4.994 18.011 ( -5.237 0.000 0.000) 5.237 18.236 ( 6.481 0.000 0.000) 6.481 18.403 ( -8.095 0.000 0.000) 8.095 18.570 ( 0.568 0.000 0.000) 0.568 18.580 ( -0.388 0.000 0.000) 0.388 19.495 ( 3.010 0.000 0.000) 3.010 19.561 ( -2.650 0.000 0.000) 2.650 20.137 ( 13.017 0.000 0.000) 13.017 20.471 ( -17.230 0.000 0.000) 17.230 21.149 ( 12.528 0.000 0.000) 12.528 21.358 ( -6.925 0.000 0.000) 6.925 24.305 ( 0.812 0.000 0.000) 0.812 24.324 ( -0.803 0.000 0.000) 0.803 24.498 ( 0.521 0.000 0.000) 0.521 24.511 ( -0.557 0.000 0.000) 0.557 24.970 ( 1.627 0.000 0.000) 1.627 25.000 ( 0.866 0.000 0.000) 0.866 25.012 ( -2.056 0.000 0.000) 2.056 25.020 ( -0.844 0.000 0.000) 0.844 25.258 ( 1.974 0.000 0.000) 1.974 25.298 ( -1.509 0.000 0.000) 1.509 ======================= Grid point 3 (3/60) ======================= q-point: ( 0.00 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 1.94e-05 1.94e-05 1.94e-05 1.94e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 48 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.401 ( 0.000 18.821 0.000) 18.821 0.566 ( 0.000 25.231 0.000) 25.231 0.691 ( 0.000 30.862 0.000) 30.862 1.237 ( 0.000 -3.820 0.000) 3.820 1.372 ( 0.000 3.792 0.000) 3.792 1.462 ( 0.000 12.117 0.000) 12.117 1.642 ( 0.000 2.000 0.000) 2.000 1.700 ( 0.000 0.306 0.000) 0.306 1.783 ( 0.000 0.114 0.000) 0.114 2.154 ( 0.000 0.133 0.000) 0.133 2.156 ( 0.000 -1.504 0.000) 1.504 2.276 ( 0.000 -5.122 0.000) 5.122 2.416 ( 0.000 -6.355 0.000) 6.355 2.422 ( 0.000 -1.549 0.000) 1.549 2.450 ( 0.000 -6.681 0.000) 6.681 2.460 ( 0.000 2.494 0.000) 2.494 2.498 ( 0.000 -4.565 0.000) 4.565 2.894 ( 0.000 11.136 0.000) 11.136 2.901 ( 0.000 -2.920 0.000) 2.920 2.982 ( 0.000 6.520 0.000) 6.520 3.193 ( 0.000 1.133 0.000) 1.133 3.252 ( 0.000 -4.726 0.000) 4.726 3.484 ( 0.000 -2.150 0.000) 2.150 3.647 ( 0.000 -4.153 0.000) 4.153 3.756 ( 0.000 3.793 0.000) 3.793 3.985 ( 0.000 3.811 0.000) 3.811 4.206 ( 0.000 2.521 0.000) 2.521 4.328 ( 0.000 1.285 0.000) 1.285 4.533 ( 0.000 -8.597 0.000) 8.597 4.547 ( 0.000 -3.800 0.000) 3.800 4.609 ( 0.000 1.679 0.000) 1.679 4.924 ( 0.000 1.239 0.000) 1.239 4.933 ( 0.000 6.459 0.000) 6.459 5.128 ( 0.000 3.237 0.000) 3.237 5.144 ( 0.000 1.813 0.000) 1.813 5.200 ( 0.000 -1.731 0.000) 1.731 5.667 ( 0.000 -1.378 0.000) 1.378 5.842 ( 0.000 -2.686 0.000) 2.686 5.945 ( 0.000 -1.329 0.000) 1.329 6.083 ( 0.000 2.018 0.000) 2.018 6.187 ( 0.000 12.832 0.000) 12.832 6.363 ( 0.000 1.556 0.000) 1.556 6.613 ( 0.000 -6.695 0.000) 6.695 6.784 ( 0.000 -1.780 0.000) 1.780 6.805 ( 0.000 -0.794 0.000) 0.794 6.861 ( 0.000 0.999 0.000) 0.999 6.940 ( 0.000 1.178 0.000) 1.178 6.944 ( 0.000 2.821 0.000) 2.821 7.124 ( 0.000 10.236 0.000) 10.236 7.136 ( 0.000 2.034 0.000) 2.034 7.194 ( 0.000 0.845 0.000) 0.845 7.241 ( 0.000 -6.211 0.000) 6.211 7.722 ( 0.000 11.465 0.000) 11.465 7.834 ( 0.000 -2.323 0.000) 2.323 7.932 ( 0.000 -15.941 0.000) 15.941 7.961 ( 0.000 -0.161 0.000) 0.161 8.192 ( 0.000 -18.338 0.000) 18.338 8.347 ( 0.000 6.410 0.000) 6.410 8.678 ( 0.000 10.164 0.000) 10.164 8.961 ( 0.000 10.418 0.000) 10.418 9.303 ( 0.000 17.743 0.000) 17.743 9.420 ( 0.000 -13.107 0.000) 13.107 9.436 ( 0.000 17.244 0.000) 17.244 9.965 ( 0.000 6.797 0.000) 6.797 9.988 ( 0.000 9.352 0.000) 9.352 10.234 ( 0.000 6.591 0.000) 6.591 10.264 ( 0.000 -4.675 0.000) 4.675 10.282 ( 0.000 -2.385 0.000) 2.385 10.479 ( 0.000 -9.462 0.000) 9.462 10.855 ( 0.000 4.710 0.000) 4.710 11.579 ( 0.000 -5.456 0.000) 5.456 11.579 ( 0.000 -3.134 0.000) 3.134 12.085 ( 0.000 -4.967 0.000) 4.967 12.114 ( 0.000 -1.528 0.000) 1.528 12.350 ( 0.000 -3.922 0.000) 3.922 12.432 ( 0.000 -8.265 0.000) 8.265 13.173 ( 0.000 0.936 0.000) 0.936 13.848 ( 0.000 -2.546 0.000) 2.546 14.318 ( 0.000 -1.254 0.000) 1.254 14.704 ( 0.000 -5.861 0.000) 5.861 14.828 ( 0.000 -3.567 0.000) 3.567 14.861 ( 0.000 -12.699 0.000) 12.699 15.281 ( 0.000 -1.018 0.000) 1.018 15.510 ( 0.000 2.369 0.000) 2.369 16.444 ( 0.000 1.505 0.000) 1.505 16.491 ( 0.000 4.097 0.000) 4.097 17.381 ( 0.000 -6.245 0.000) 6.245 17.760 ( 0.000 -7.425 0.000) 7.425 18.448 ( 0.000 22.976 0.000) 22.976 18.626 ( 0.000 5.493 0.000) 5.493 18.642 ( 0.000 5.992 0.000) 5.992 19.089 ( 0.000 -3.577 0.000) 3.577 19.520 ( 0.000 -6.260 0.000) 6.260 19.528 ( 0.000 4.688 0.000) 4.688 19.807 ( 0.000 -12.293 0.000) 12.293 20.605 ( 0.000 -15.809 0.000) 15.809 20.803 ( 0.000 13.004 0.000) 13.004 20.930 ( 0.000 4.967 0.000) 4.967 23.061 ( 0.000 -8.015 0.000) 8.015 23.888 ( 0.000 -24.500 0.000) 24.500 24.326 ( 0.000 -0.550 0.000) 0.550 24.786 ( 0.000 13.343 0.000) 13.343 24.958 ( 0.000 0.548 0.000) 0.548 24.993 ( 0.000 -4.634 0.000) 4.634 25.041 ( 0.000 1.105 0.000) 1.105 25.087 ( 0.000 -0.078 0.000) 0.078 25.146 ( 0.000 -6.196 0.000) 6.196 25.686 ( 0.000 -1.983 0.000) 1.983 ======================= Grid point 4 (4/60) ======================= q-point: ( 0.33 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 1.94e-05 1.94e-05 1.94e-05 1.94e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.500 ( 15.681 7.252 0.000) 17.277 0.768 ( 13.710 15.870 0.000) 20.972 0.912 ( -16.748 1.228 0.000) 16.792 1.091 ( 6.063 12.240 0.000) 13.660 1.245 ( 7.492 13.771 0.000) 15.677 1.605 ( 9.416 0.942 0.000) 9.463 1.740 ( -4.032 0.178 0.000) 4.036 1.802 ( 2.514 0.441 0.000) 2.552 1.822 ( -17.953 0.061 0.000) 17.953 1.861 ( 11.559 4.794 0.000) 12.514 2.058 ( -11.991 2.602 0.000) 12.270 2.106 ( -12.699 3.608 0.000) 13.202 2.330 ( 4.672 -0.395 0.000) 4.689 2.412 ( -2.842 0.798 0.000) 2.952 2.458 ( 1.547 -0.746 0.000) 1.718 2.484 ( -0.441 -1.615 0.000) 1.674 2.631 ( 5.965 -7.316 0.000) 9.440 2.758 ( -6.237 -3.162 0.000) 6.992 3.131 ( 8.750 -2.785 0.000) 9.183 3.190 ( 1.107 -1.621 0.000) 1.963 3.245 ( 7.419 -4.176 0.000) 8.513 3.262 ( 1.498 -5.096 0.000) 5.311 3.583 ( 3.219 -10.322 0.000) 10.812 3.585 ( -1.510 -3.379 0.000) 3.701 3.849 ( 5.574 1.398 0.000) 5.746 3.946 ( -3.371 2.983 0.000) 4.501 4.232 ( 1.751 2.700 0.000) 3.218 4.277 ( -2.905 2.470 0.000) 3.813 4.533 ( 0.131 -7.178 0.000) 7.179 4.541 ( -0.479 -4.844 0.000) 4.867 4.713 ( 7.631 2.586 0.000) 8.057 4.866 ( -5.855 4.994 0.000) 7.696 4.972 ( 4.125 1.300 0.000) 4.325 5.075 ( -4.956 1.095 0.000) 5.075 5.154 ( 2.164 2.796 0.000) 3.536 5.198 ( -1.322 0.781 0.000) 1.536 5.734 ( 5.479 -2.101 0.000) 5.868 5.830 ( -2.111 -2.179 0.000) 3.034 5.953 ( 0.709 -1.806 0.000) 1.940 5.997 ( -4.207 -0.014 0.000) 4.207 6.304 ( 8.590 14.731 0.000) 17.052 6.420 ( 4.403 2.676 0.000) 5.152 6.587 ( -5.314 -3.653 0.000) 6.448 6.605 ( -17.161 14.960 0.000) 22.766 6.698 ( -1.397 -0.905 0.000) 1.665 6.743 ( -3.482 -1.551 0.000) 3.811 6.922 ( 4.830 2.029 0.000) 5.239 7.028 ( -2.367 4.828 0.000) 5.377 7.063 ( 1.434 -1.401 0.000) 2.005 7.119 ( -3.408 1.519 0.000) 3.732 7.187 ( 3.550 6.802 0.000) 7.673 7.261 ( -1.624 -0.557 0.000) 1.717 7.758 ( 4.089 2.194 0.000) 4.640 7.826 ( -1.084 -6.276 0.000) 6.369 7.926 ( -2.157 2.283 0.000) 3.141 7.931 ( -1.703 -7.031 0.000) 7.234 8.250 ( 4.477 -13.209 0.000) 13.947 8.335 ( -2.578 -4.916 0.000) 5.551 8.895 ( 15.522 9.719 0.000) 18.313 9.094 ( 10.007 4.737 0.000) 11.071 9.198 ( -7.820 18.586 0.000) 20.164 9.380 ( -6.060 -7.816 0.000) 9.890 9.449 ( 0.779 18.374 0.000) 18.391 9.573 ( -18.836 31.850 0.000) 37.003 9.988 ( 0.327 7.988 0.000) 7.994 10.048 ( -6.319 4.642 0.000) 7.841 10.314 ( 4.134 -5.613 0.000) 6.971 10.410 ( -4.289 -8.237 0.000) 9.287 10.524 ( 12.032 1.193 0.000) 12.091 10.750 ( -8.787 3.006 0.000) 9.287 11.569 ( -0.267 -0.363 0.000) 0.451 11.609 ( -3.398 2.950 0.000) 4.500 11.854 ( 2.410 0.722 0.000) 2.516 12.006 ( -6.979 -4.861 0.000) 8.505 12.427 ( 1.171 -7.916 0.000) 8.002 12.433 ( 0.085 -8.042 0.000) 8.043 13.268 ( 8.744 0.748 0.000) 8.776 13.533 ( -16.223 1.714 0.000) 16.314 14.357 ( 8.943 -9.241 0.000) 12.860 14.592 ( -12.163 -11.857 0.000) 16.986 14.937 ( 8.496 1.875 0.000) 8.701 15.007 ( 2.734 1.690 0.000) 3.214 15.282 ( 1.324 -3.592 0.000) 3.829 15.368 ( -6.418 1.223 0.000) 6.533 16.450 ( 0.552 1.753 0.000) 1.838 16.465 ( -0.882 2.725 0.000) 2.864 17.614 ( 8.190 -17.968 0.000) 19.747 17.719 ( -3.335 -10.981 0.000) 11.476 18.532 ( 6.237 16.855 0.000) 17.972 18.610 ( -1.461 4.590 0.000) 4.817 18.660 ( 2.574 10.530 0.000) 10.840 18.823 ( -12.444 17.473 0.000) 21.452 19.476 ( -0.271 -0.520 0.000) 0.586 19.500 ( -1.653 -5.256 0.000) 5.510 20.026 ( 14.536 -10.286 0.000) 17.807 20.363 ( -16.226 -10.358 0.000) 19.250 21.097 ( 9.036 -1.663 0.000) 9.188 21.165 ( 6.508 -7.701 0.000) 10.083 23.601 ( 24.813 -35.584 0.000) 43.381 23.856 ( -4.001 -27.479 0.000) 27.769 24.425 ( 9.498 -1.363 0.000) 9.596 24.657 ( -10.160 2.572 0.000) 10.481 24.975 ( 1.372 1.165 0.000) 1.800 25.002 ( -0.630 4.228 0.000) 4.275 25.045 ( 0.992 -4.313 0.000) 4.426 25.073 ( -1.247 -0.601 0.000) 1.384 25.253 ( 8.916 1.318 0.000) 9.013 25.490 ( -12.928 5.808 0.000) 14.173 ======================= Grid point 6 (5/60) ======================= q-point: ( 0.00 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 1.94e-05 1.94e-05 1.94e-05 1.94e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.790 ( 0.000 17.408 0.000) 17.408 1.027 ( 0.000 15.787 0.000) 15.787 1.190 ( 0.000 3.134 0.000) 3.134 1.274 ( 0.000 23.187 0.000) 23.187 1.452 ( 0.000 3.778 0.000) 3.778 1.705 ( 0.000 3.079 0.000) 3.079 1.718 ( 0.000 1.646 0.000) 1.646 1.790 ( 0.000 1.197 0.000) 1.197 1.810 ( 0.000 19.503 0.000) 19.503 2.127 ( 0.000 -0.771 0.000) 0.771 2.127 ( 0.000 -2.838 0.000) 2.838 2.151 ( 0.000 -5.747 0.000) 5.747 2.363 ( 0.000 3.062 0.000) 3.062 2.367 ( 0.000 -3.791 0.000) 3.791 2.392 ( 0.000 1.006 0.000) 1.006 2.420 ( 0.000 -3.421 0.000) 3.421 2.525 ( 0.000 3.545 0.000) 3.545 2.790 ( 0.000 -7.575 0.000) 7.575 3.051 ( 0.000 -0.362 0.000) 0.362 3.114 ( 0.000 8.892 0.000) 8.892 3.145 ( 0.000 -4.800 0.000) 4.800 3.240 ( 0.000 2.993 0.000) 2.993 3.401 ( 0.000 -6.208 0.000) 6.208 3.520 ( 0.000 -7.797 0.000) 7.797 3.866 ( 0.000 5.929 0.000) 5.929 4.062 ( 0.000 2.945 0.000) 2.945 4.215 ( 0.000 -5.284 0.000) 5.284 4.312 ( 0.000 -3.889 0.000) 3.889 4.387 ( 0.000 -0.218 0.000) 0.218 4.511 ( 0.000 2.081 0.000) 2.081 4.658 ( 0.000 2.075 0.000) 2.075 4.975 ( 0.000 3.597 0.000) 3.597 5.029 ( 0.000 -0.334 0.000) 0.334 5.156 ( 0.000 -2.013 0.000) 2.013 5.216 ( 0.000 4.788 0.000) 4.788 5.222 ( 0.000 6.641 0.000) 6.641 5.638 ( 0.000 -1.011 0.000) 1.011 5.749 ( 0.000 -4.985 0.000) 4.985 5.923 ( 0.000 -0.162 0.000) 0.162 6.129 ( 0.000 1.780 0.000) 1.780 6.382 ( 0.000 -0.215 0.000) 0.215 6.406 ( 0.000 0.471 0.000) 0.471 6.549 ( 0.000 6.238 0.000) 6.238 6.746 ( 0.000 -1.376 0.000) 1.376 6.801 ( 0.000 0.767 0.000) 0.767 6.882 ( 0.000 0.589 0.000) 0.589 6.934 ( 0.000 -1.971 0.000) 1.971 7.036 ( 0.000 5.418 0.000) 5.418 7.134 ( 0.000 -3.369 0.000) 3.369 7.204 ( 0.000 3.397 0.000) 3.397 7.229 ( 0.000 2.616 0.000) 2.616 7.329 ( 0.000 7.718 0.000) 7.718 7.578 ( 0.000 -16.379 0.000) 16.379 7.762 ( 0.000 -17.534 0.000) 17.534 7.875 ( 0.000 6.938 0.000) 6.938 7.978 ( 0.000 11.657 0.000) 11.657 8.014 ( 0.000 2.564 0.000) 2.564 8.556 ( 0.000 13.263 0.000) 13.263 8.855 ( 0.000 5.450 0.000) 5.450 9.047 ( 0.000 0.478 0.000) 0.478 9.135 ( 0.000 -12.885 0.000) 12.885 9.787 ( 0.000 13.705 0.000) 13.705 9.829 ( 0.000 25.990 0.000) 25.990 10.090 ( 0.000 -11.762 0.000) 11.762 10.136 ( 0.000 6.967 0.000) 6.967 10.166 ( 0.000 7.410 0.000) 7.410 10.248 ( 0.000 0.097 0.000) 0.097 10.281 ( 0.000 -7.128 0.000) 7.128 10.418 ( 0.000 9.393 0.000) 9.393 10.948 ( 0.000 4.467 0.000) 4.467 11.412 ( 0.000 -10.110 0.000) 10.110 11.520 ( 0.000 -1.245 0.000) 1.245 11.916 ( 0.000 -11.281 0.000) 11.281 12.050 ( 0.000 -4.768 0.000) 4.768 12.220 ( 0.000 -10.088 0.000) 10.088 12.241 ( 0.000 -6.021 0.000) 6.021 13.219 ( 0.000 3.719 0.000) 3.719 13.780 ( 0.000 -3.759 0.000) 3.759 14.277 ( 0.000 -2.438 0.000) 2.438 14.570 ( 0.000 -13.031 0.000) 13.031 14.576 ( 0.000 -5.364 0.000) 5.364 14.726 ( 0.000 -5.640 0.000) 5.640 15.262 ( 0.000 -0.422 0.000) 0.422 15.533 ( 0.000 -0.805 0.000) 0.805 16.516 ( 0.000 5.228 0.000) 5.228 16.606 ( 0.000 6.459 0.000) 6.459 17.217 ( 0.000 -8.631 0.000) 8.631 17.522 ( 0.000 -13.955 0.000) 13.955 18.739 ( 0.000 4.242 0.000) 4.242 18.845 ( 0.000 12.549 0.000) 12.549 18.944 ( 0.000 19.274 0.000) 19.274 19.069 ( 0.000 2.700 0.000) 2.700 19.363 ( 0.000 -6.716 0.000) 6.716 19.591 ( 0.000 -6.658 0.000) 6.658 19.604 ( 0.000 1.761 0.000) 1.761 20.234 ( 0.000 -17.411 0.000) 17.411 21.073 ( 0.000 11.480 0.000) 11.480 21.074 ( 0.000 8.188 0.000) 8.188 22.849 ( 0.000 -10.791 0.000) 10.791 23.352 ( 0.000 -24.917 0.000) 24.917 24.318 ( 0.000 -0.040 0.000) 0.040 24.791 ( 0.000 -12.494 0.000) 12.494 24.934 ( 0.000 1.621 0.000) 1.621 24.968 ( 0.000 0.284 0.000) 0.284 25.062 ( 0.000 -2.039 0.000) 2.039 25.077 ( 0.000 -1.010 0.000) 1.010 25.146 ( 0.000 7.968 0.000) 7.968 25.624 ( 0.000 -3.726 0.000) 3.726 ======================= Grid point 7 (6/60) ======================= q-point: ( 0.33 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 1.94e-05 1.94e-05 1.94e-05 1.94e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 78 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.786 ( 3.379 17.187 0.000) 17.516 0.975 ( -12.739 8.556 0.000) 15.346 1.148 ( 10.231 15.432 0.000) 18.515 1.377 ( -4.803 13.393 0.000) 14.228 1.548 ( 5.925 13.022 0.000) 14.307 1.621 ( 8.474 0.562 0.000) 8.493 1.743 ( -3.737 0.159 0.000) 3.740 1.800 ( 7.626 -0.431 0.000) 7.638 1.842 ( -14.431 2.323 0.000) 14.617 2.006 ( -2.312 1.773 0.000) 2.913 2.048 ( 2.294 4.417 0.000) 4.978 2.216 ( -7.410 4.981 0.000) 8.928 2.338 ( 6.926 2.344 0.000) 7.312 2.410 ( 2.142 -3.726 0.000) 4.298 2.438 ( 0.167 1.372 0.000) 1.382 2.453 ( 0.690 -0.308 0.000) 0.756 2.562 ( 4.255 0.718 0.000) 4.316 2.699 ( -6.993 -3.145 0.000) 7.668 3.104 ( 3.516 -4.971 0.000) 6.089 3.126 ( 1.699 -1.834 0.000) 2.500 3.173 ( 1.042 -0.276 0.000) 1.078 3.218 ( -2.379 0.323 0.000) 2.401 3.423 ( 1.763 -7.182 0.000) 7.395 3.475 ( -3.120 -6.598 0.000) 7.299 3.919 ( 4.310 4.218 0.000) 6.031 4.014 ( -3.959 2.589 0.000) 4.730 4.249 ( 2.347 -3.570 0.000) 4.272 4.291 ( -1.569 -2.903 0.000) 3.300 4.414 ( 2.334 -0.541 0.000) 2.396 4.471 ( -2.735 0.287 0.000) 2.750 4.771 ( 8.331 1.973 0.000) 8.562 4.945 ( -7.045 0.555 0.000) 7.067 5.022 ( 4.004 3.607 0.000) 5.389 5.116 ( -3.969 2.827 0.000) 4.873 5.221 ( 0.374 3.238 0.000) 3.259 5.223 ( 0.262 1.984 0.000) 2.001 5.704 ( 4.951 -0.789 0.000) 5.013 5.761 ( 0.167 -3.464 0.000) 3.468 5.928 ( 1.018 -0.085 0.000) 1.022 6.019 ( -7.346 1.682 0.000) 7.536 6.433 ( 4.256 -1.022 0.000) 4.377 6.463 ( 3.584 -3.776 0.000) 5.206 6.599 ( 1.113 7.786 0.000) 7.865 6.670 ( -5.894 -1.131 0.000) 6.002 6.715 ( -0.056 2.510 0.000) 2.511 6.853 ( -8.496 5.459 0.000) 10.098 6.975 ( 3.467 3.476 0.000) 4.909 7.020 ( 3.561 -2.166 0.000) 4.168 7.112 ( -1.819 -1.926 0.000) 2.649 7.127 ( -5.289 3.578 0.000) 6.386 7.304 ( 4.705 4.238 0.000) 6.332 7.353 ( 0.503 7.535 0.000) 7.552 7.591 ( 0.769 -13.316 0.000) 13.338 7.644 ( -5.052 -11.486 0.000) 12.548 7.992 ( 0.937 8.245 0.000) 8.298 8.007 ( -0.458 3.519 0.000) 3.549 8.080 ( 12.986 1.821 0.000) 13.113 8.363 ( -12.941 6.679 0.000) 14.563 9.013 ( 7.209 -2.622 0.000) 7.671 9.070 ( 0.832 -3.399 0.000) 3.499 9.260 ( 11.977 0.889 0.000) 12.010 9.562 ( -14.086 12.746 0.000) 18.996 9.915 ( 2.747 18.094 0.000) 18.302 10.032 ( -7.928 11.057 0.000) 13.605 10.120 ( 3.277 -2.465 0.000) 4.100 10.163 ( -0.444 7.864 0.000) 7.877 10.202 ( -1.024 2.076 0.000) 2.315 10.233 ( -3.146 -5.110 0.000) 6.000 10.584 ( 11.218 4.637 0.000) 12.138 10.820 ( -10.027 3.939 0.000) 10.773 11.549 ( 8.757 -7.682 0.000) 11.649 11.579 ( 4.678 1.181 0.000) 4.825 11.850 ( -5.096 -9.643 0.000) 10.907 11.891 ( -10.377 1.388 0.000) 10.469 12.225 ( 0.468 -10.457 0.000) 10.467 12.236 ( -0.450 -9.597 0.000) 9.608 13.307 ( 8.374 3.343 0.000) 9.017 13.572 ( -15.684 2.386 0.000) 15.865 14.166 ( 2.836 -9.104 0.000) 9.535 14.340 ( -11.708 -11.425 0.000) 16.359 14.903 ( 15.481 -2.878 0.000) 15.746 14.985 ( 12.794 -3.277 0.000) 13.207 15.200 ( -4.197 -3.171 0.000) 5.260 15.363 ( -13.232 -2.259 0.000) 13.423 16.528 ( 1.137 5.498 0.000) 5.614 16.565 ( -2.385 6.393 0.000) 6.823 17.314 ( 7.071 -11.746 0.000) 13.710 17.458 ( -5.622 -13.433 0.000) 14.562 18.754 ( 1.375 8.289 0.000) 8.403 18.799 ( -2.755 12.775 0.000) 13.068 18.988 ( 2.086 11.405 0.000) 11.594 19.017 ( -1.775 3.116 0.000) 3.586 19.390 ( 3.170 -2.524 0.000) 4.052 19.505 ( -6.834 2.542 0.000) 7.291 19.803 ( 14.246 -8.389 0.000) 16.532 20.089 ( -11.786 -13.375 0.000) 17.827 21.146 ( 4.501 5.542 0.000) 7.140 21.167 ( 3.735 5.351 0.000) 6.526 23.044 ( 14.273 -19.801 0.000) 24.410 23.284 ( -7.008 -25.111 0.000) 26.070 24.405 ( 8.264 -0.371 0.000) 8.273 24.640 ( -12.399 -2.570 0.000) 12.663 24.876 ( 1.162 -8.493 0.000) 8.572 24.927 ( -2.896 -4.733 0.000) 5.549 25.106 ( 1.835 3.023 0.000) 3.537 25.135 ( -0.793 5.862 0.000) 5.915 25.286 ( 12.420 1.126 0.000) 12.470 25.521 ( -8.956 -1.322 0.000) 9.053 ======================= Grid point 9 (7/60) ======================= q-point: ( 0.00 0.38 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 1.94e-05 1.94e-05 1.94e-05 1.94e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 48 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.119 ( 0.000 13.013 0.000) 13.013 1.241 ( 0.000 9.735 0.000) 9.735 1.377 ( 0.000 7.705 0.000) 7.705 1.552 ( 0.000 5.772 0.000) 5.772 1.638 ( 0.000 9.619 0.000) 9.619 1.709 ( 0.000 -2.917 0.000) 2.917 1.781 ( 0.000 4.369 0.000) 4.369 1.855 ( 0.000 3.215 0.000) 3.215 2.066 ( 0.000 0.282 0.000) 0.282 2.078 ( 0.000 -0.787 0.000) 0.787 2.128 ( 0.000 0.564 0.000) 0.564 2.222 ( 0.000 15.176 0.000) 15.176 2.260 ( 0.000 -6.155 0.000) 6.155 2.350 ( 0.000 -2.067 0.000) 2.067 2.436 ( 0.000 1.541 0.000) 1.541 2.530 ( 0.000 10.312 0.000) 10.312 2.602 ( 0.000 -7.839 0.000) 7.839 2.622 ( 0.000 6.727 0.000) 6.727 2.981 ( 0.000 -5.461 0.000) 5.461 3.066 ( 0.000 -2.083 0.000) 2.083 3.188 ( 0.000 -12.816 0.000) 12.816 3.260 ( 0.000 3.631 0.000) 3.631 3.297 ( 0.000 1.892 0.000) 1.892 3.316 ( 0.000 -11.164 0.000) 11.164 3.981 ( 0.000 4.363 0.000) 4.363 4.087 ( 0.000 -3.807 0.000) 3.807 4.106 ( 0.000 1.426 0.000) 1.426 4.208 ( 0.000 -4.555 0.000) 4.555 4.469 ( 0.000 5.308 0.000) 5.308 4.611 ( 0.000 6.392 0.000) 6.392 4.662 ( 0.000 -2.051 0.000) 2.051 4.933 ( 0.000 -7.208 0.000) 7.208 5.063 ( 0.000 3.895 0.000) 3.895 5.127 ( 0.000 -0.700 0.000) 0.700 5.321 ( 0.000 4.740 0.000) 4.740 5.363 ( 0.000 4.812 0.000) 4.812 5.630 ( 0.000 0.120 0.000) 0.120 5.663 ( 0.000 -2.628 0.000) 2.628 5.956 ( 0.000 3.345 0.000) 3.345 6.134 ( 0.000 -1.763 0.000) 1.763 6.340 ( 0.000 -2.981 0.000) 2.981 6.352 ( 0.000 -2.250 0.000) 2.250 6.711 ( 0.000 5.580 0.000) 5.580 6.742 ( 0.000 1.315 0.000) 1.315 6.861 ( 0.000 5.247 0.000) 5.247 6.869 ( 0.000 -2.014 0.000) 2.014 6.872 ( 0.000 -3.412 0.000) 3.412 7.068 ( 0.000 -0.873 0.000) 0.873 7.193 ( 0.000 7.003 0.000) 7.003 7.202 ( 0.000 -4.760 0.000) 4.760 7.227 ( 0.000 -10.155 0.000) 10.155 7.344 ( 0.000 1.729 0.000) 1.729 7.430 ( 0.000 1.968 0.000) 1.968 7.473 ( 0.000 -8.434 0.000) 8.434 8.113 ( 0.000 5.988 0.000) 5.988 8.117 ( 0.000 14.668 0.000) 14.668 8.177 ( 0.000 6.166 0.000) 6.166 8.771 ( 0.000 -13.371 0.000) 13.371 8.904 ( 0.000 19.124 0.000) 19.124 9.006 ( 0.000 0.789 0.000) 0.789 9.036 ( 0.000 -0.897 0.000) 0.897 9.766 ( 0.000 -18.098 0.000) 18.098 9.959 ( 0.000 2.708 0.000) 2.708 10.075 ( 0.000 -5.884 0.000) 5.884 10.306 ( 0.000 17.037 0.000) 17.037 10.310 ( 0.000 6.257 0.000) 6.257 10.323 ( 0.000 5.902 0.000) 5.902 10.345 ( 0.000 5.903 0.000) 5.903 10.574 ( 0.000 6.014 0.000) 6.014 11.075 ( 0.000 8.175 0.000) 8.175 11.155 ( 0.000 -13.926 0.000) 13.926 11.566 ( 0.000 5.624 0.000) 5.624 11.620 ( 0.000 -15.488 0.000) 15.488 11.912 ( 0.000 -8.001 0.000) 8.001 12.055 ( 0.000 -4.903 0.000) 4.903 12.111 ( 0.000 -5.764 0.000) 5.764 13.339 ( 0.000 7.419 0.000) 7.419 13.679 ( 0.000 -6.118 0.000) 6.118 14.231 ( 0.000 -1.345 0.000) 1.345 14.347 ( 0.000 -7.735 0.000) 7.735 14.499 ( 0.000 -1.630 0.000) 1.630 14.604 ( 0.000 -5.507 0.000) 5.507 15.279 ( 0.000 2.294 0.000) 2.294 15.471 ( 0.000 -4.673 0.000) 4.673 16.656 ( 0.000 7.682 0.000) 7.682 16.762 ( 0.000 8.326 0.000) 8.326 17.027 ( 0.000 -9.161 0.000) 9.161 17.220 ( 0.000 -13.545 0.000) 13.545 18.804 ( 0.000 2.721 0.000) 2.721 19.044 ( 0.000 -6.808 0.000) 6.808 19.135 ( 0.000 13.627 0.000) 13.627 19.213 ( 0.000 10.230 0.000) 10.230 19.410 ( 0.000 8.381 0.000) 8.381 19.530 ( 0.000 -0.129 0.000) 0.129 19.590 ( 0.000 -3.053 0.000) 3.053 19.884 ( 0.000 -15.750 0.000) 15.750 21.246 ( 0.000 6.991 0.000) 6.991 21.268 ( 0.000 6.439 0.000) 6.439 22.655 ( 0.000 -6.190 0.000) 6.190 22.883 ( 0.000 -17.900 0.000) 17.900 24.330 ( 0.000 1.400 0.000) 1.400 24.543 ( 0.000 -9.877 0.000) 9.877 24.947 ( 0.000 0.388 0.000) 0.388 24.968 ( 0.000 -0.308 0.000) 0.308 25.032 ( 0.000 -0.918 0.000) 0.918 25.048 ( 0.000 -1.448 0.000) 1.448 25.304 ( 0.000 6.485 0.000) 6.485 25.533 ( 0.000 -4.737 0.000) 4.737 ======================= Grid point 10 (8/60) ======================= q-point: ( 0.33 0.38 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 1.94e-05 1.94e-05 1.94e-05 1.94e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.137 ( 2.396 14.290 0.000) 14.489 1.235 ( -5.955 14.053 0.000) 15.262 1.379 ( 8.535 5.453 0.000) 10.129 1.580 ( -7.153 3.718 0.000) 8.061 1.638 ( 4.914 1.170 0.000) 5.052 1.726 ( -1.294 -0.817 0.000) 1.531 1.786 ( -0.353 7.276 0.000) 7.285 1.825 ( 3.004 2.735 0.000) 4.063 1.927 ( -5.755 6.027 0.000) 8.334 1.986 ( -6.589 3.278 0.000) 7.360 2.204 ( 2.300 2.713 0.000) 3.557 2.232 ( 1.820 -1.737 0.000) 2.516 2.306 ( 3.125 -5.369 0.000) 6.212 2.380 ( -3.784 -3.078 0.000) 4.878 2.489 ( 7.018 3.607 0.000) 7.890 2.552 ( 0.773 9.232 0.000) 9.265 2.624 ( 1.014 -1.246 0.000) 1.606 2.634 ( 0.269 6.702 0.000) 6.708 3.000 ( 2.194 -5.335 0.000) 5.769 3.044 ( -1.240 -4.473 0.000) 4.642 3.201 ( -2.323 -2.426 0.000) 3.359 3.215 ( -4.061 -1.614 0.000) 4.370 3.260 ( 3.432 -4.613 0.000) 5.750 3.325 ( -1.593 -6.259 0.000) 6.459 3.995 ( 1.327 2.407 0.000) 2.749 4.033 ( -2.248 -0.794 0.000) 2.384 4.161 ( 2.146 -2.143 0.000) 3.033 4.195 ( -1.192 -4.169 0.000) 4.337 4.476 ( 1.105 4.143 0.000) 4.287 4.527 ( -3.711 3.220 0.000) 4.914 4.782 ( 6.684 -0.372 0.000) 6.694 4.896 ( -3.586 -4.206 0.000) 5.528 5.106 ( 3.453 3.389 0.000) 4.839 5.147 ( 0.805 0.322 0.000) 0.867 5.283 ( -2.439 2.424 0.000) 3.438 5.289 ( -4.093 3.028 0.000) 5.091 5.711 ( 4.719 1.342 0.000) 4.906 5.718 ( 3.417 -0.236 0.000) 3.425 5.951 ( 0.579 2.084 0.000) 2.163 6.042 ( -6.866 -0.048 0.000) 6.866 6.379 ( 2.790 -3.145 0.000) 4.204 6.388 ( 2.296 -2.636 0.000) 3.496 6.664 ( -3.958 0.406 0.000) 3.978 6.684 ( -5.487 1.239 0.000) 5.625 6.796 ( 4.864 3.745 0.000) 6.139 6.908 ( -1.923 1.472 0.000) 2.422 7.001 ( 4.715 1.046 0.000) 4.830 7.027 ( 0.828 -3.838 0.000) 3.926 7.086 ( -4.377 2.809 0.000) 5.201 7.127 ( -5.644 -4.164 0.000) 7.014 7.322 ( 5.353 -6.775 0.000) 8.634 7.403 ( -2.274 -6.635 0.000) 7.014 7.437 ( 4.824 4.457 0.000) 6.568 7.498 ( -0.267 3.234 0.000) 3.245 8.083 ( 1.855 4.770 0.000) 5.118 8.146 ( -2.780 4.904 0.000) 5.638 8.270 ( 10.103 12.101 0.000) 15.764 8.554 ( -16.214 8.806 0.000) 18.450 8.852 ( 5.458 -8.242 0.000) 9.885 8.978 ( -5.190 -5.002 0.000) 7.208 9.370 ( 19.111 6.872 0.000) 20.308 9.743 ( -14.489 3.624 0.000) 14.936 9.827 ( 3.909 -11.446 0.000) 12.095 9.971 ( -7.759 -7.539 0.000) 10.819 10.316 ( 0.294 6.583 0.000) 6.589 10.319 ( 0.030 6.879 0.000) 6.879 10.340 ( 0.902 10.627 0.000) 10.665 10.346 ( 0.026 7.099 0.000) 7.099 10.714 ( 10.747 8.145 0.000) 13.484 10.934 ( -9.080 6.846 0.000) 11.372 11.330 ( 10.503 -11.829 0.000) 15.819 11.513 ( -5.769 -11.461 0.000) 12.831 11.710 ( 8.321 1.075 0.000) 8.391 11.881 ( -4.690 -2.475 0.000) 5.303 12.035 ( -1.365 -6.630 0.000) 6.769 12.044 ( -3.560 -7.450 0.000) 8.257 13.419 ( 7.752 7.067 0.000) 10.490 13.630 ( -8.230 1.975 0.000) 8.463 13.983 ( -3.812 -6.885 0.000) 7.869 14.116 ( -12.152 -9.412 0.000) 15.370 14.856 ( 18.538 -1.421 0.000) 18.592 14.900 ( 18.558 -3.813 0.000) 18.946 15.171 ( -9.894 0.465 0.000) 9.905 15.289 ( -15.400 -4.081 0.000) 15.932 16.673 ( 1.611 7.829 0.000) 7.993 16.722 ( -2.806 8.137 0.000) 8.608 17.083 ( 4.359 -10.191 0.000) 11.084 17.176 ( -3.818 -12.467 0.000) 13.039 18.858 ( 4.652 0.457 0.000) 4.675 18.973 ( -5.462 -3.668 0.000) 6.579 19.131 ( -0.482 12.495 0.000) 12.504 19.146 ( -2.736 11.243 0.000) 11.571 19.455 ( 3.803 4.838 0.000) 6.154 19.543 ( -3.710 0.068 0.000) 3.710 19.674 ( 8.903 -4.330 0.000) 9.900 19.828 ( -5.162 -11.248 0.000) 12.376 21.280 ( 2.222 5.800 0.000) 6.211 21.295 ( 1.167 5.216 0.000) 5.345 22.718 ( 5.282 -10.506 0.000) 11.760 22.833 ( -4.507 -16.321 0.000) 16.931 24.413 ( 7.272 1.133 0.000) 7.360 24.555 ( -1.925 -5.145 0.000) 5.493 24.755 ( -5.230 -2.370 0.000) 5.741 24.824 ( -7.658 -4.395 0.000) 8.829 25.163 ( 5.291 2.175 0.000) 5.721 25.210 ( 3.796 0.857 0.000) 3.891 25.321 ( 4.605 2.851 0.000) 5.416 25.468 ( -5.926 -3.267 0.000) 6.767 ======================= Grid point 12 (9/60) ======================= q-point: ( 0.00 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 1.94e-05 1.94e-05 1.94e-05 1.94e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 36 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.317 ( 0.000 -4.714 0.000) 4.714 1.317 ( 0.000 4.714 0.000) 4.714 1.564 ( 0.000 -10.493 0.000) 10.493 1.564 ( 0.000 10.493 0.000) 10.493 1.671 ( 0.000 -4.137 0.000) 4.137 1.671 ( 0.000 4.137 0.000) 4.137 1.864 ( 0.000 -2.268 0.000) 2.268 1.864 ( 0.000 2.268 0.000) 2.268 2.119 ( 0.000 -2.292 0.000) 2.292 2.119 ( 0.000 2.292 0.000) 2.292 2.126 ( 0.000 -5.363 0.000) 5.363 2.126 ( 0.000 5.364 0.000) 5.364 2.402 ( 0.000 -6.970 0.000) 6.970 2.402 ( 0.000 6.970 0.000) 6.970 2.413 ( 0.000 -4.024 0.000) 4.024 2.413 ( 0.000 4.024 0.000) 4.024 2.828 ( 0.000 -9.813 0.000) 9.813 2.828 ( 0.000 9.813 0.000) 9.813 2.856 ( 0.000 -16.529 0.000) 16.529 2.856 ( 0.000 16.529 0.000) 16.529 3.100 ( 0.000 -6.641 0.000) 6.641 3.100 ( 0.000 6.641 0.000) 6.641 3.310 ( 0.000 -0.753 0.000) 0.753 3.310 ( 0.000 0.753 0.000) 0.753 4.043 ( 0.000 -1.692 0.000) 1.692 4.043 ( 0.000 1.692 0.000) 1.692 4.138 ( 0.000 -2.092 0.000) 2.092 4.138 ( 0.000 2.092 0.000) 2.092 4.581 ( 0.000 -4.989 0.000) 4.989 4.581 ( 0.000 4.989 0.000) 4.989 4.766 ( 0.000 -7.927 0.000) 7.927 4.766 ( 0.000 7.927 0.000) 7.927 5.115 ( 0.000 -0.997 0.000) 0.997 5.115 ( 0.000 0.997 0.000) 0.997 5.395 ( 0.000 -1.600 0.000) 1.600 5.395 ( 0.000 1.600 0.000) 1.600 5.636 ( 0.000 -0.449 0.000) 0.449 5.636 ( 0.000 0.449 0.000) 0.449 6.054 ( 0.000 -5.139 0.000) 5.139 6.054 ( 0.000 5.139 0.000) 5.139 6.314 ( 0.000 -0.613 0.000) 0.613 6.314 ( 0.000 0.613 0.000) 0.613 6.798 ( 0.000 -3.446 0.000) 3.446 6.798 ( 0.000 3.446 0.000) 3.446 6.803 ( 0.000 -3.801 0.000) 3.801 6.803 ( 0.000 3.801 0.000) 3.801 7.009 ( 0.000 -8.598 0.000) 8.598 7.009 ( 0.000 8.598 0.000) 8.598 7.089 ( 0.000 -3.475 0.000) 3.475 7.089 ( 0.000 3.475 0.000) 3.475 7.338 ( 0.000 -6.198 0.000) 6.198 7.338 ( 0.000 6.198 0.000) 6.198 7.419 ( 0.000 -2.767 0.000) 2.767 7.419 ( 0.000 2.767 0.000) 2.767 8.217 ( 0.000 -2.352 0.000) 2.352 8.217 ( 0.000 2.352 0.000) 2.352 8.450 ( 0.000 -15.957 0.000) 15.957 8.450 ( 0.000 15.957 0.000) 15.957 9.022 ( 0.000 -0.497 0.000) 0.497 9.022 ( 0.000 0.497 0.000) 0.497 9.341 ( 0.000 -21.129 0.000) 21.129 9.341 ( 0.000 21.129 0.000) 21.129 9.993 ( 0.000 -1.982 0.000) 1.982 9.993 ( 0.000 1.982 0.000) 1.982 10.406 ( 0.000 -0.679 0.000) 0.679 10.406 ( 0.000 0.679 0.000) 0.679 10.421 ( 0.000 -3.184 0.000) 3.184 10.421 ( 0.000 3.184 0.000) 3.184 10.829 ( 0.000 -16.162 0.000) 16.162 10.829 ( 0.000 16.162 0.000) 16.162 11.306 ( 0.000 -13.308 0.000) 13.308 11.306 ( 0.000 13.308 0.000) 13.308 11.728 ( 0.000 -8.788 0.000) 8.788 11.728 ( 0.000 8.788 0.000) 8.788 12.023 ( 0.000 -1.793 0.000) 1.793 12.023 ( 0.000 1.793 0.000) 1.793 13.517 ( 0.000 -8.691 0.000) 8.691 13.517 ( 0.000 8.691 0.000) 8.691 14.240 ( 0.000 -2.501 0.000) 2.501 14.240 ( 0.000 2.501 0.000) 2.501 14.512 ( 0.000 -2.739 0.000) 2.739 14.512 ( 0.000 2.739 0.000) 2.739 15.360 ( 0.000 -5.049 0.000) 5.049 15.360 ( 0.000 5.050 0.000) 5.050 16.834 ( 0.000 -8.884 0.000) 8.884 16.834 ( 0.000 8.884 0.000) 8.884 16.963 ( 0.000 -10.681 0.000) 10.681 16.963 ( 0.000 10.681 0.000) 10.681 18.893 ( 0.000 -6.006 0.000) 6.006 18.893 ( 0.000 6.006 0.000) 6.006 19.362 ( 0.000 -4.338 0.000) 4.338 19.362 ( 0.000 4.338 0.000) 4.338 19.522 ( 0.000 -1.969 0.000) 1.969 19.522 ( 0.000 1.969 0.000) 1.969 19.582 ( 0.000 -9.734 0.000) 9.734 19.582 ( 0.000 9.734 0.000) 9.734 21.332 ( 0.000 -0.603 0.000) 0.603 21.332 ( 0.000 0.603 0.000) 0.603 22.634 ( 0.000 -5.094 0.000) 5.094 22.634 ( 0.000 5.094 0.000) 5.094 24.390 ( 0.000 -4.631 0.000) 4.631 24.390 ( 0.000 4.631 0.000) 4.631 24.958 ( 0.000 -0.568 0.000) 0.568 24.958 ( 0.000 0.568 0.000) 0.568 25.026 ( 0.000 -0.424 0.000) 0.424 25.026 ( 0.000 0.424 0.000) 0.424 25.427 ( 0.000 -5.273 0.000) 5.273 25.427 ( 0.000 5.273 0.000) 5.273 ======================= Grid point 14 (10/60) ======================= q-point: ( 0.33 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 1.94e-05 1.94e-05 1.94e-05 1.94e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 48 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.350 ( 1.946 -4.509 0.000) 4.911 1.350 ( 1.946 4.509 0.000) 4.911 1.524 ( -1.691 -8.306 0.000) 8.477 1.524 ( -1.691 8.306 0.000) 8.477 1.673 ( -0.810 -1.849 0.000) 2.018 1.673 ( -0.810 1.849 0.000) 2.019 1.867 ( 0.151 -0.012 0.000) 0.151 1.867 ( 0.151 0.012 0.000) 0.151 2.074 ( -0.301 -2.462 0.000) 2.481 2.074 ( -0.301 2.462 0.000) 2.481 2.175 ( 0.151 -0.860 0.000) 0.873 2.175 ( 0.151 0.860 0.000) 0.873 2.275 ( -3.110 -0.644 0.000) 3.176 2.275 ( -3.110 0.644 0.000) 3.176 2.548 ( 4.077 -0.689 0.000) 4.135 2.548 ( 4.077 0.689 0.000) 4.135 2.832 ( 0.264 -4.944 0.000) 4.951 2.832 ( 0.264 4.944 0.000) 4.951 2.861 ( 0.247 -8.129 0.000) 8.133 2.861 ( 0.247 8.129 0.000) 8.133 3.145 ( 3.948 -1.902 0.000) 4.382 3.145 ( 3.948 1.903 0.000) 4.382 3.262 ( -4.131 -0.358 0.000) 4.147 3.262 ( -4.131 0.358 0.000) 4.147 4.018 ( -1.157 -0.308 0.000) 1.198 4.018 ( -1.157 0.308 0.000) 1.198 4.148 ( 0.287 -0.371 0.000) 0.469 4.148 ( 0.287 0.371 0.000) 0.469 4.549 ( -1.531 -1.834 0.000) 2.389 4.549 ( -1.531 1.834 0.000) 2.389 4.804 ( 1.931 -3.276 0.000) 3.803 4.804 ( 1.931 3.276 0.000) 3.803 5.147 ( 2.374 -0.229 0.000) 2.385 5.147 ( 2.374 0.229 0.000) 2.385 5.316 ( -4.470 -0.125 0.000) 4.472 5.316 ( -4.470 0.125 0.000) 4.472 5.729 ( 5.450 -0.135 0.000) 5.452 5.729 ( 5.450 0.135 0.000) 5.452 6.007 ( -3.363 -2.281 0.000) 4.064 6.007 ( -3.363 2.281 0.000) 4.064 6.349 ( 2.181 -0.042 0.000) 2.181 6.349 ( 2.181 0.042 0.000) 2.181 6.681 ( -4.435 -0.211 0.000) 4.440 6.681 ( -4.435 0.211 0.000) 4.440 6.893 ( 3.640 -5.604 0.000) 6.683 6.893 ( 3.640 5.604 0.000) 6.683 6.977 ( -3.186 -3.498 0.000) 4.732 6.977 ( -3.186 3.498 0.000) 4.732 7.088 ( 0.523 -1.139 0.000) 1.253 7.088 ( 0.523 1.139 0.000) 1.253 7.295 ( -1.391 -1.977 0.000) 2.418 7.295 ( -1.391 1.977 0.000) 2.418 7.522 ( 4.693 -1.654 0.000) 4.976 7.522 ( 4.693 1.654 0.000) 4.976 8.172 ( -2.404 -1.438 0.000) 2.801 8.172 ( -2.404 1.438 0.000) 2.801 8.524 ( 4.906 -10.424 0.000) 11.520 8.524 ( 4.906 10.424 0.000) 11.520 8.855 ( -8.670 -6.435 0.000) 10.797 8.855 ( -8.670 6.435 0.000) 10.797 9.550 ( 13.550 -10.673 0.000) 17.249 9.550 ( 13.550 10.673 0.000) 17.249 9.843 ( -11.592 -4.189 0.000) 12.325 9.843 ( -11.592 4.189 0.000) 12.325 10.411 ( 0.513 -0.919 0.000) 1.052 10.411 ( 0.513 0.919 0.000) 1.052 10.422 ( -0.200 -1.809 0.000) 1.820 10.422 ( -0.200 1.809 0.000) 1.820 10.945 ( 7.146 -10.696 0.000) 12.863 10.945 ( 7.146 10.696 0.000) 12.863 11.247 ( -4.095 -9.207 0.000) 10.077 11.247 ( -4.095 9.207 0.000) 10.077 11.791 ( 4.731 -4.525 0.000) 6.546 11.791 ( 4.731 4.525 0.000) 6.546 11.963 ( -4.625 -0.003 0.000) 4.625 11.963 ( -4.625 0.003 0.000) 4.625 13.580 ( 5.027 -5.811 0.000) 7.683 13.580 ( 5.027 5.811 0.000) 7.683 13.957 ( -13.150 -1.944 0.000) 13.293 13.957 ( -13.150 1.944 0.000) 13.293 14.848 ( 19.540 -0.057 0.000) 19.540 14.848 ( 19.540 0.057 0.000) 19.540 15.211 ( -13.311 -0.893 0.000) 13.341 15.211 ( -13.311 0.893 0.000) 13.341 16.839 ( 0.329 -5.099 0.000) 5.110 16.839 ( 0.329 5.099 0.000) 5.110 16.952 ( -0.639 -5.995 0.000) 6.029 16.952 ( -0.639 5.995 0.000) 6.029 18.878 ( -0.845 -2.847 0.000) 2.970 18.878 ( -0.845 2.847 0.000) 2.970 19.347 ( -0.575 -0.564 0.000) 0.805 19.347 ( -0.575 0.564 0.000) 0.805 19.480 ( -1.460 -0.403 0.000) 1.514 19.480 ( -1.460 0.403 0.000) 1.514 19.654 ( 2.915 -2.452 0.000) 3.809 19.654 ( 2.915 2.452 0.000) 3.809 21.351 ( 1.081 -0.348 0.000) 1.135 21.351 ( 1.081 0.348 0.000) 1.135 22.627 ( -0.416 -2.543 0.000) 2.577 22.627 ( -0.416 2.543 0.000) 2.577 24.459 ( 5.292 -3.274 0.000) 6.223 24.459 ( 5.292 3.274 0.000) 6.223 24.755 ( -9.179 -1.338 0.000) 9.276 24.755 ( -9.179 1.338 0.000) 9.276 25.199 ( 6.864 -0.657 0.000) 6.895 25.199 ( 6.864 0.657 0.000) 6.895 25.394 ( -2.602 -3.443 0.000) 4.316 25.394 ( -2.602 3.443 0.000) 4.316 ======================= Grid point 27 (11/60) ======================= q-point: ( 0.00 0.00 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 1.94e-05 1.94e-05 1.94e-05 1.94e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 50 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.422 ( 0.000 0.000 23.586) 23.586 0.490 ( 0.000 0.000 25.439) 25.439 0.932 ( 0.000 0.000 44.933) 44.933 1.377 ( 0.000 0.000 5.517) 5.517 1.381 ( 0.000 0.000 5.083) 5.083 1.419 ( 0.000 0.000 11.754) 11.754 1.567 ( 0.000 0.000 -5.902) 5.902 1.776 ( 0.000 0.000 8.155) 8.155 1.790 ( 0.000 0.000 0.522) 0.522 2.079 ( 0.000 0.000 0.255) 0.255 2.182 ( 0.000 0.000 0.790) 0.790 2.278 ( 0.000 0.000 1.191) 1.191 2.385 ( 0.000 0.000 -4.706) 4.706 2.409 ( 0.000 0.000 -7.989) 7.989 2.442 ( 0.000 0.000 -0.484) 0.484 2.500 ( 0.000 0.000 -5.503) 5.503 2.654 ( 0.000 0.000 3.630) 3.630 2.725 ( 0.000 0.000 3.136) 3.136 2.897 ( 0.000 0.000 -1.734) 1.734 2.968 ( 0.000 0.000 8.333) 8.333 3.270 ( 0.000 0.000 9.639) 9.639 3.328 ( 0.000 0.000 11.784) 11.784 3.508 ( 0.000 0.000 -0.634) 0.634 3.680 ( 0.000 0.000 -2.094) 2.094 3.689 ( 0.000 0.000 0.696) 0.696 3.927 ( 0.000 0.000 -0.750) 0.750 4.021 ( 0.000 0.000 -14.751) 14.751 4.193 ( 0.000 0.000 -11.489) 11.489 4.617 ( 0.000 0.000 2.558) 2.558 4.643 ( 0.000 0.000 4.764) 4.764 4.710 ( 0.000 0.000 6.636) 6.636 4.858 ( 0.000 0.000 0.386) 0.386 4.999 ( 0.000 0.000 -3.081) 3.081 5.108 ( 0.000 0.000 1.202) 1.202 5.132 ( 0.000 0.000 0.336) 0.336 5.252 ( 0.000 0.000 2.784) 2.784 5.682 ( 0.000 0.000 -0.356) 0.356 5.801 ( 0.000 0.000 0.346) 0.346 5.876 ( 0.000 0.000 2.959) 2.959 5.946 ( 0.000 0.000 -2.587) 2.587 6.035 ( 0.000 0.000 -1.810) 1.810 6.053 ( 0.000 0.000 -6.048) 6.048 6.410 ( 0.000 0.000 6.188) 6.188 6.643 ( 0.000 0.000 -4.651) 4.651 6.735 ( 0.000 0.000 -10.983) 10.983 6.821 ( 0.000 0.000 6.030) 6.030 6.948 ( 0.000 0.000 3.114) 3.114 6.960 ( 0.000 0.000 -7.385) 7.385 6.979 ( 0.000 0.000 0.170) 0.170 7.091 ( 0.000 0.000 15.032) 15.032 7.365 ( 0.000 0.000 7.898) 7.898 7.400 ( 0.000 0.000 5.752) 5.752 7.521 ( 0.000 0.000 -3.945) 3.945 7.976 ( 0.000 0.000 2.225) 2.225 8.146 ( 0.000 0.000 -0.984) 0.984 8.356 ( 0.000 0.000 -8.710) 8.710 8.513 ( 0.000 0.000 -0.300) 0.300 8.566 ( 0.000 0.000 24.212) 24.212 8.715 ( 0.000 0.000 -2.713) 2.713 8.814 ( 0.000 0.000 -3.993) 3.993 9.144 ( 0.000 0.000 -4.026) 4.026 9.160 ( 0.000 0.000 -0.292) 0.292 9.677 ( 0.000 0.000 5.086) 5.086 9.945 ( 0.000 0.000 10.345) 10.345 9.958 ( 0.000 0.000 -5.074) 5.074 10.296 ( 0.000 0.000 -1.824) 1.824 10.394 ( 0.000 0.000 8.422) 8.422 10.495 ( 0.000 0.000 -9.087) 9.087 10.730 ( 0.000 0.000 -3.600) 3.600 11.366 ( 0.000 0.000 7.980) 7.980 11.529 ( 0.000 0.000 -4.954) 4.954 11.658 ( 0.000 0.000 2.136) 2.136 11.685 ( 0.000 0.000 2.490) 2.490 12.094 ( 0.000 0.000 -4.185) 4.185 12.108 ( 0.000 0.000 -2.264) 2.264 12.461 ( 0.000 0.000 -6.209) 6.209 13.182 ( 0.000 0.000 1.821) 1.821 13.762 ( 0.000 0.000 6.874) 6.874 13.863 ( 0.000 0.000 -1.658) 1.658 14.269 ( 0.000 0.000 -6.296) 6.296 14.587 ( 0.000 0.000 -15.184) 15.184 14.834 ( 0.000 0.000 -3.579) 3.579 15.227 ( 0.000 0.000 -6.774) 6.774 15.349 ( 0.000 0.000 -1.902) 1.902 16.871 ( 0.000 0.000 39.908) 39.908 17.394 ( 0.000 0.000 -5.881) 5.881 17.749 ( 0.000 0.000 -8.172) 8.172 18.193 ( 0.000 0.000 3.058) 3.058 18.386 ( 0.000 0.000 -17.976) 17.976 18.425 ( 0.000 0.000 -13.710) 13.710 18.518 ( 0.000 0.000 0.920) 0.920 19.444 ( 0.000 0.000 -1.549) 1.549 19.511 ( 0.000 0.000 -1.340) 1.340 20.132 ( 0.000 0.000 13.672) 13.672 20.630 ( 0.000 0.000 0.769) 0.769 20.831 ( 0.000 0.000 3.327) 3.327 20.908 ( 0.000 0.000 3.261) 3.261 21.395 ( 0.000 0.000 -3.938) 3.938 21.718 ( 0.000 0.000 -3.183) 3.183 24.268 ( 0.000 0.000 -22.392) 22.392 24.287 ( 0.000 0.000 1.012) 1.012 24.416 ( 0.000 0.000 6.418) 6.418 24.935 ( 0.000 0.000 -1.604) 1.604 24.958 ( 0.000 0.000 -2.239) 2.239 24.989 ( 0.000 0.000 -2.407) 2.407 25.057 ( 0.000 0.000 1.785) 1.785 25.119 ( 0.000 0.000 0.697) 0.697 25.417 ( 0.000 0.000 -4.837) 4.837 ======================= Grid point 28 (12/60) ======================= q-point: ( 0.33 0.00 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 1.94e-05 1.94e-05 1.94e-05 1.94e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 75 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.565 ( 16.180 0.000 9.802) 18.917 0.651 ( 17.324 0.000 16.682) 24.050 1.016 ( -22.265 0.000 -0.501) 22.271 1.041 ( -18.298 0.000 11.838) 21.793 1.364 ( 28.859 0.000 28.678) 40.685 1.642 ( 7.837 0.000 4.607) 9.091 1.755 ( -3.322 0.000 1.433) 3.618 1.831 ( 12.841 0.000 2.368) 13.057 1.862 ( 7.352 0.000 6.796) 10.012 1.966 ( -22.517 0.000 9.973) 24.626 2.017 ( -5.778 0.000 2.850) 6.443 2.112 ( -13.808 0.000 3.126) 14.158 2.357 ( 4.065 0.000 2.653) 4.854 2.393 ( 0.648 0.000 -6.076) 6.111 2.407 ( -0.433 0.000 -6.708) 6.722 2.442 ( -3.393 0.000 4.426) 5.576 2.757 ( 3.916 0.000 2.943) 4.899 2.883 ( -6.618 0.000 5.757) 8.771 2.981 ( 11.730 0.000 -23.069) 25.880 3.066 ( 4.682 0.000 -21.901) 22.396 3.304 ( 2.249 0.000 10.372) 10.613 3.332 ( -0.215 0.000 11.335) 11.337 3.594 ( 4.719 0.000 -3.323) 5.772 3.630 ( 1.140 0.000 -5.188) 5.312 3.822 ( 4.888 0.000 -1.684) 5.170 3.895 ( -2.726 0.000 1.045) 2.919 4.052 ( 2.954 0.000 -12.835) 13.170 4.136 ( -4.336 0.000 -10.934) 11.762 4.635 ( 1.787 0.000 2.806) 3.327 4.684 ( -2.313 0.000 4.673) 5.214 4.709 ( 5.093 0.000 2.697) 5.763 4.813 ( -4.020 0.000 0.794) 4.098 5.001 ( 1.279 0.000 0.608) 1.417 5.064 ( -4.188 0.000 1.487) 4.444 5.142 ( 2.857 0.000 1.844) 3.400 5.212 ( -3.257 0.000 2.616) 4.178 5.831 ( 2.200 0.000 0.537) 2.264 5.833 ( 9.064 0.000 -8.422) 12.373 5.868 ( -0.967 0.000 1.864) 2.100 5.942 ( -1.166 0.000 -4.678) 4.822 6.022 ( -0.484 0.000 -3.232) 3.268 6.040 ( -1.703 0.000 -5.319) 5.585 6.461 ( 4.546 0.000 5.353) 7.023 6.580 ( -5.719 0.000 0.814) 5.776 6.777 ( 3.497 0.000 -9.995) 10.589 6.794 ( 1.225 0.000 4.335) 4.505 6.869 ( -4.985 0.000 -6.811) 8.440 6.882 ( -5.688 0.000 7.087) 9.087 7.051 ( 4.784 0.000 0.629) 4.825 7.184 ( 7.259 0.000 7.763) 10.628 7.200 ( -8.975 0.000 3.588) 9.666 7.332 ( -5.807 0.000 6.168) 8.471 7.709 ( 10.813 0.000 0.055) 10.813 7.904 ( -6.822 0.000 1.586) 7.003 8.280 ( 11.360 0.000 10.068) 15.179 8.364 ( 2.283 0.000 -6.723) 7.100 8.449 ( -4.652 0.000 -2.671) 5.364 8.527 ( -7.453 0.000 17.629) 19.139 8.794 ( 3.846 0.000 -3.316) 5.078 8.825 ( 0.334 0.000 -3.746) 3.761 9.143 ( 3.860 0.000 10.631) 11.310 9.265 ( 10.032 0.000 0.692) 10.056 9.499 ( -32.129 0.000 31.040) 44.674 9.527 ( -12.224 0.000 2.828) 12.547 9.983 ( 4.013 0.000 11.863) 12.523 10.180 ( -18.813 0.000 22.368) 29.228 10.430 ( 3.100 0.000 5.134) 5.997 10.489 ( -1.506 0.000 -2.766) 3.149 10.519 ( 5.707 0.000 4.200) 7.086 10.680 ( -6.679 0.000 -1.492) 6.843 11.512 ( 0.772 0.000 -1.836) 1.992 11.574 ( -4.073 0.000 0.052) 4.073 11.849 ( 9.287 0.000 -0.634) 9.308 12.023 ( -6.373 0.000 -3.307) 7.180 12.434 ( 4.469 0.000 -8.723) 9.801 12.465 ( 0.025 0.000 -5.976) 5.976 13.285 ( 9.335 0.000 2.456) 9.652 13.547 ( -14.212 0.000 4.084) 14.787 14.377 ( 20.005 0.000 -27.953) 34.374 14.483 ( 14.068 0.000 -3.998) 14.625 14.573 ( -2.462 0.000 -19.174) 19.331 14.738 ( -8.879 0.000 -3.533) 9.556 15.257 ( 2.778 0.000 -6.070) 6.675 15.321 ( -2.515 0.000 -3.694) 4.469 16.930 ( 6.475 0.000 39.103) 39.635 17.180 ( -16.081 0.000 23.665) 28.612 17.868 ( 12.037 0.000 0.713) 12.058 18.245 ( 4.532 0.000 -0.162) 4.535 18.347 ( -3.900 0.000 -11.295) 11.949 18.408 ( -50.516 0.000 43.827) 66.878 18.436 ( 1.082 0.000 -11.931) 11.980 18.475 ( -2.699 0.000 -3.746) 4.617 19.476 ( 2.643 0.000 -1.990) 3.308 19.539 ( -3.308 0.000 -2.256) 4.004 20.259 ( 11.020 0.000 11.553) 15.966 20.547 ( -15.077 0.000 7.420) 16.804 21.147 ( 11.015 0.000 -0.308) 11.019 21.330 ( -6.037 0.000 -2.947) 6.718 23.717 ( 46.451 0.000 -56.507) 73.148 24.187 ( -8.822 0.000 -29.423) 30.717 24.316 ( 2.575 0.000 2.077) 3.308 24.380 ( -2.930 0.000 4.700) 5.539 24.946 ( 1.071 0.000 -1.052) 1.501 24.974 ( -1.300 0.000 -1.667) 2.114 24.986 ( 2.302 0.000 -0.881) 2.465 25.036 ( -1.935 0.000 1.051) 2.201 25.206 ( 6.629 0.000 -1.772) 6.862 25.344 ( -5.753 0.000 -2.482) 6.265 ======================= Grid point 30 (13/60) ======================= q-point: ( 0.00 0.12 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 1.94e-05 1.94e-05 1.94e-05 1.94e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.605 ( 0.000 10.010 17.571) 20.222 0.617 ( 0.000 16.328 12.354) 20.475 1.149 ( 0.000 14.116 30.726) 33.813 1.394 ( 0.000 0.704 13.246) 13.265 1.422 ( 0.000 3.530 5.037) 6.151 1.486 ( 0.000 8.639 4.168) 9.592 1.580 ( 0.000 1.619 -5.890) 6.108 1.784 ( 0.000 1.139 7.797) 7.880 1.790 ( 0.000 -0.028 0.440) 0.441 2.131 ( 0.000 1.796 -0.713) 1.932 2.151 ( 0.000 -2.648 -0.288) 2.664 2.305 ( 0.000 -4.876 -5.561) 7.396 2.308 ( 0.000 -1.399 2.007) 2.446 2.371 ( 0.000 -2.050 -4.068) 4.555 2.442 ( 0.000 0.551 -0.817) 0.986 2.530 ( 0.000 0.190 1.099) 1.115 2.565 ( 0.000 -1.388 6.476) 6.623 2.819 ( 0.000 -4.925 -5.232) 7.185 2.904 ( 0.000 10.274 1.097) 10.333 3.021 ( 0.000 3.791 4.801) 6.117 3.244 ( 0.000 -1.401 7.420) 7.551 3.352 ( 0.000 0.149 9.572) 9.573 3.469 ( 0.000 -3.739 -2.028) 4.253 3.645 ( 0.000 -3.770 -0.039) 3.770 3.741 ( 0.000 5.223 -0.294) 5.231 3.966 ( 0.000 3.451 -0.631) 3.508 4.070 ( 0.000 4.095 -12.819) 13.457 4.218 ( 0.000 2.243 -11.128) 11.352 4.555 ( 0.000 -5.242 2.279) 5.716 4.598 ( 0.000 -9.239 5.783) 10.900 4.660 ( 0.000 1.053 4.697) 4.813 4.918 ( 0.000 4.649 -1.625) 4.925 4.960 ( 0.000 -2.226 2.869) 3.631 5.079 ( 0.000 2.430 -3.963) 4.649 5.150 ( 0.000 3.351 1.762) 3.786 5.252 ( 0.000 -0.271 4.167) 4.176 5.683 ( 0.000 0.001 1.326) 1.326 5.824 ( 0.000 -3.214 -2.743) 4.226 5.912 ( 0.000 -1.394 -2.024) 2.457 6.034 ( 0.000 -0.085 -3.746) 3.747 6.159 ( 0.000 15.491 -3.783) 15.946 6.331 ( 0.000 19.408 -17.095) 25.863 6.427 ( 0.000 1.627 5.048) 5.303 6.621 ( 0.000 -1.222 -1.309) 1.791 6.795 ( 0.000 4.986 -6.793) 8.426 6.797 ( 0.000 -0.116 4.612) 4.613 6.882 ( 0.000 -2.673 -5.155) 5.807 6.966 ( 0.000 -1.758 7.120) 7.334 7.068 ( 0.000 6.289 1.011) 6.370 7.187 ( 0.000 7.030 6.510) 9.581 7.297 ( 0.000 -4.649 6.358) 7.876 7.350 ( 0.000 -1.452 6.397) 6.559 7.682 ( 0.000 10.899 -3.889) 11.572 7.898 ( 0.000 -12.378 -0.461) 12.386 7.982 ( 0.000 -4.045 0.200) 4.050 8.173 ( 0.000 -15.304 -1.197) 15.351 8.345 ( 0.000 -11.372 16.555) 20.084 8.642 ( 0.000 -5.663 13.549) 14.685 8.679 ( 0.000 10.960 -1.243) 11.030 8.976 ( 0.000 7.522 1.023) 7.591 9.212 ( 0.000 1.285 -8.451) 8.548 9.329 ( 0.000 18.239 2.278) 18.380 9.654 ( 0.000 2.183 9.541) 9.788 10.015 ( 0.000 3.727 3.005) 4.787 10.029 ( 0.000 6.352 -1.389) 6.502 10.275 ( 0.000 -1.477 0.215) 1.493 10.351 ( 0.000 -3.657 7.752) 8.571 10.391 ( 0.000 -7.647 -2.849) 8.161 10.554 ( 0.000 -15.992 24.316) 29.103 10.820 ( 0.000 4.744 -3.194) 5.719 11.601 ( 0.000 -5.294 2.333) 5.785 11.604 ( 0.000 -2.871 2.366) 3.721 12.026 ( 0.000 -5.012 -4.899) 7.009 12.122 ( 0.000 -0.442 -0.368) 0.575 12.164 ( 0.000 8.977 -15.058) 17.531 12.369 ( 0.000 -8.225 -6.014) 10.189 13.192 ( 0.000 0.526 1.846) 1.919 13.836 ( 0.000 -2.329 -1.412) 2.723 13.999 ( 0.000 8.097 -22.207) 23.637 14.260 ( 0.000 -0.848 -5.937) 5.997 14.790 ( 0.000 -4.001 -3.936) 5.613 14.807 ( 0.000 17.973 -24.626) 30.487 15.217 ( 0.000 -0.767 -6.520) 6.565 15.220 ( 0.000 -11.140 4.414) 11.983 16.826 ( 0.000 -2.800 35.344) 35.454 17.329 ( 0.000 -5.622 -5.186) 7.649 17.671 ( 0.000 -7.241 -8.235) 10.966 17.750 ( 0.000 -42.339 41.086) 58.997 18.473 ( 0.000 7.577 -16.111) 17.804 18.486 ( 0.000 5.707 -13.917) 15.041 18.531 ( 0.000 15.877 6.802) 17.272 19.379 ( 0.000 -8.705 13.623) 16.167 19.468 ( 0.000 -3.106 -2.965) 4.294 19.714 ( 0.000 -24.526 28.305) 37.452 19.965 ( 0.000 -11.761 14.814) 18.915 20.604 ( 0.000 -13.003 0.164) 13.004 20.844 ( 0.000 9.946 3.715) 10.617 20.971 ( 0.000 5.053 4.134) 6.528 22.731 ( 0.000 10.094 -27.173) 28.987 23.796 ( 0.000 -24.325 -10.457) 26.477 24.369 ( 0.000 -0.420 3.968) 3.990 24.696 ( 0.000 14.284 -6.900) 15.863 24.938 ( 0.000 -0.283 -1.883) 1.904 24.975 ( 0.000 -3.414 -1.897) 3.906 25.023 ( 0.000 3.277 -1.055) 3.443 25.104 ( 0.000 -1.210 0.294) 1.246 25.118 ( 0.000 -1.527 -1.830) 2.383 25.498 ( 0.000 5.756 -11.756) 13.090 ======================= Grid point 31 (14/60) ======================= q-point: ( 0.33 0.12 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 1.94e-05 1.94e-05 1.94e-05 1.94e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.660 ( 11.770 7.611 13.535) 19.485 0.787 ( 13.495 12.751 7.061) 19.863 1.033 ( -19.567 1.685 9.817) 21.956 1.130 ( -17.890 8.380 0.915) 19.776 1.472 ( 22.361 7.751 20.990) 31.634 1.656 ( 7.026 1.204 4.910) 8.655 1.756 ( -2.774 0.208 1.234) 3.043 1.831 ( 9.706 1.119 3.873) 10.509 1.909 ( 10.002 3.698 4.388) 11.531 1.946 ( -16.150 -1.323 9.285) 18.675 2.040 ( -8.158 1.789 0.807) 8.391 2.154 ( -10.821 2.131 2.428) 11.293 2.354 ( 3.764 0.011 0.967) 3.886 2.377 ( 0.101 -1.136 -3.389) 3.576 2.413 ( 0.437 0.727 -2.848) 2.971 2.492 ( -4.836 3.161 2.914) 6.470 2.635 ( 5.918 -6.177 0.665) 8.580 2.764 ( -5.060 -6.740 0.542) 8.446 3.043 ( 8.113 3.983 -8.851) 12.650 3.122 ( 3.245 2.330 -9.514) 10.319 3.268 ( 2.050 -2.414 8.619) 9.182 3.325 ( -2.306 -0.924 9.315) 9.640 3.527 ( 3.741 -5.966 -2.719) 7.549 3.586 ( -2.376 -4.370 -1.566) 5.215 3.838 ( 5.428 2.873 0.234) 6.146 3.929 ( -3.078 3.852 -0.246) 4.937 4.109 ( 2.764 3.941 -11.440) 12.411 4.173 ( -3.228 2.903 -10.637) 11.489 4.558 ( 0.617 -5.926 2.491) 6.458 4.580 ( -1.271 -7.966 4.414) 9.196 4.738 ( 5.894 1.624 2.598) 6.643 4.861 ( -4.955 3.532 -0.508) 6.106 4.981 ( 2.206 -0.392 1.296) 2.588 5.042 ( -2.952 1.550 -2.036) 3.907 5.184 ( 2.622 3.048 2.488) 4.728 5.236 ( -1.759 1.147 3.449) 4.038 5.728 ( 3.735 -1.719 -0.791) 4.187 5.802 ( -2.450 -3.238 -2.893) 4.986 5.942 ( 2.916 -1.361 -0.493) 3.256 6.012 ( -2.643 0.415 -0.374) 2.701 6.189 ( 3.481 14.849 -8.977) 17.697 6.285 ( -4.253 17.082 -14.405) 22.746 6.470 ( 3.798 1.279 3.821) 5.537 6.563 ( -4.357 -0.745 0.887) 4.508 6.770 ( -0.324 -0.097 4.687) 4.699 6.809 ( -2.718 0.238 0.934) 2.883 6.873 ( 3.438 4.358 -3.926) 6.799 6.967 ( -3.547 3.232 -1.670) 5.081 7.067 ( 3.934 1.802 2.878) 5.197 7.181 ( -5.271 -1.215 3.129) 6.249 7.257 ( 3.365 6.187 7.384) 10.204 7.348 ( -3.291 1.499 6.574) 7.503 7.738 ( 6.145 2.134 -2.468) 6.958 7.880 ( -5.236 -2.981 -0.432) 6.040 8.035 ( 6.115 -12.692 4.672) 14.842 8.145 ( -2.933 -16.314 3.731) 16.991 8.348 ( 1.595 -7.082 13.165) 15.033 8.453 ( -7.751 -2.480 8.486) 11.757 8.901 ( 10.174 8.311 -1.325) 13.204 9.092 ( -6.999 10.805 -7.963) 15.138 9.138 ( 13.405 1.885 3.877) 14.082 9.395 ( -0.220 5.832 2.777) 6.463 9.573 ( -4.349 11.271 7.567) 14.255 9.750 ( -18.336 15.778 8.529) 25.650 10.040 ( 2.627 4.259 7.810) 9.275 10.174 ( -10.768 0.219 14.798) 18.302 10.366 ( 2.100 -5.079 4.333) 6.998 10.398 ( -0.793 -6.633 -1.463) 6.839 10.549 ( 8.183 1.760 5.556) 10.047 10.733 ( -7.430 3.910 -1.256) 8.489 11.564 ( -0.700 -0.324 -0.235) 0.807 11.611 ( -5.390 4.868 0.019) 7.263 11.833 ( 3.362 -0.468 -1.903) 3.891 11.973 ( -6.251 -4.661 -3.272) 8.456 12.362 ( 2.817 -6.044 -6.233) 9.128 12.376 ( 0.426 -7.751 -5.569) 9.554 13.288 ( 8.847 0.263 2.060) 9.088 13.546 ( -14.917 -0.017 1.718) 15.015 14.244 ( 12.089 -7.361 -12.792) 19.078 14.396 ( 1.620 -6.189 -13.300) 14.758 14.723 ( -0.068 0.205 -10.511) 10.513 14.797 ( -3.505 9.852 -17.011) 19.968 15.251 ( 2.995 -1.842 -6.200) 7.128 15.270 ( 1.626 -3.279 -1.983) 4.162 16.882 ( 5.692 -3.759 35.440) 36.090 17.097 ( -14.694 -6.847 27.520) 31.940 17.657 ( 2.584 -16.468 0.670) 16.683 17.747 ( -3.996 -20.559 14.218) 25.314 18.460 ( 0.498 7.637 -13.040) 15.120 18.476 ( -0.635 5.558 -13.793) 14.884 18.622 ( 8.388 19.191 2.881) 21.141 18.936 ( -23.412 16.929 14.337) 32.254 19.452 ( 0.104 -2.031 -2.332) 3.094 19.480 ( -2.552 -4.536 -2.217) 5.657 20.152 ( 11.947 -10.135 12.062) 19.773 20.436 ( -13.512 -10.823 7.089) 18.708 21.104 ( 7.494 -1.048 0.643) 7.594 21.159 ( 5.580 -6.802 -0.635) 8.820 23.321 ( 32.597 -22.127 -26.036) 47.223 23.725 ( -8.267 -25.895 -14.528) 30.821 24.424 ( 5.645 1.488 1.089) 5.939 24.589 ( -8.245 7.078 -4.681) 11.832 24.966 ( 1.704 0.707 -0.822) 2.020 25.000 ( -0.560 3.958 -0.279) 4.007 25.007 ( 1.439 -2.902 -2.779) 4.268 25.057 ( -2.181 0.517 -1.263) 2.572 25.231 ( 7.479 1.194 -2.313) 7.919 25.402 ( -7.679 5.127 -6.909) 11.532 ======================= Grid point 33 (15/60) ======================= q-point: ( 0.00 0.25 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 1.94e-05 1.94e-05 1.94e-05 1.94e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.869 ( 0.000 13.815 7.844) 15.887 1.000 ( 0.000 17.452 0.128) 17.452 1.259 ( 0.000 1.428 11.138) 11.229 1.501 ( 0.000 3.697 4.203) 5.598 1.573 ( 0.000 10.929 19.187) 22.081 1.652 ( 0.000 5.154 -4.122) 6.600 1.706 ( 0.000 8.278 1.682) 8.447 1.787 ( 0.000 -0.082 -0.063) 0.104 1.870 ( 0.000 7.895 2.949) 8.427 2.090 ( 0.000 -2.644 -3.175) 4.132 2.132 ( 0.000 -1.815 0.532) 1.891 2.223 ( 0.000 -3.245 -5.104) 6.048 2.243 ( 0.000 0.055 9.582) 9.582 2.376 ( 0.000 2.613 -1.699) 3.117 2.464 ( 0.000 -4.690 4.202) 6.297 2.468 ( 0.000 1.205 -2.647) 2.908 2.623 ( 0.000 4.297 11.534) 12.309 2.721 ( 0.000 -3.660 -2.718) 4.559 3.075 ( 0.000 0.757 3.152) 3.242 3.101 ( 0.000 7.291 -0.991) 7.358 3.223 ( 0.000 -1.378 5.847) 6.007 3.333 ( 0.000 -0.840 9.313) 9.351 3.353 ( 0.000 -7.091 -3.854) 8.071 3.532 ( 0.000 -7.017 -0.027) 7.017 3.875 ( 0.000 6.744 1.632) 6.939 4.047 ( 0.000 3.671 -1.068) 3.823 4.165 ( 0.000 3.291 -7.886) 8.545 4.265 ( 0.000 0.775 -7.737) 7.775 4.389 ( 0.000 -6.800 4.358) 8.076 4.453 ( 0.000 -2.980 -1.839) 3.502 4.668 ( 0.000 -0.773 0.772) 1.093 4.964 ( 0.000 -0.283 -2.434) 2.451 4.999 ( 0.000 3.654 -0.442) 3.680 5.195 ( 0.000 7.819 -1.875) 8.041 5.203 ( 0.000 -0.076 3.841) 3.842 5.266 ( 0.000 3.243 4.166) 5.279 5.681 ( 0.000 -0.168 4.066) 4.069 5.741 ( 0.000 -4.257 -1.297) 4.450 5.880 ( 0.000 -0.973 -3.736) 3.861 6.032 ( 0.000 -0.227 -6.937) 6.940 6.395 ( 0.000 4.821 -0.747) 4.879 6.467 ( 0.000 1.635 5.560) 5.796 6.581 ( 0.000 5.113 -3.700) 6.311 6.671 ( 0.000 6.680 -0.604) 6.708 6.825 ( 0.000 -2.129 -4.759) 5.213 6.868 ( 0.000 4.791 1.191) 4.937 6.913 ( 0.000 4.195 -2.086) 4.685 6.943 ( 0.000 2.296 4.189) 4.777 7.166 ( 0.000 -3.535 3.777) 5.173 7.189 ( 0.000 3.822 2.921) 4.810 7.312 ( 0.000 -1.722 1.698) 2.418 7.407 ( 0.000 8.583 6.397) 10.704 7.604 ( 0.000 -12.589 4.728) 13.448 7.815 ( 0.000 -16.538 3.579) 16.921 7.928 ( 0.000 11.403 -5.054) 12.473 7.954 ( 0.000 0.674 -4.594) 4.643 8.176 ( 0.000 -2.994 18.717) 18.955 8.687 ( 0.000 8.814 11.028) 14.118 8.885 ( 0.000 7.884 0.432) 7.896 9.043 ( 0.000 0.910 -0.321) 0.965 9.098 ( 0.000 -10.232 -1.464) 10.336 9.796 ( 0.000 21.790 -3.645) 22.093 9.812 ( 0.000 8.620 0.289) 8.625 9.998 ( 0.000 -5.622 -3.434) 6.588 10.167 ( 0.000 1.619 -0.739) 1.780 10.265 ( 0.000 -0.320 2.275) 2.297 10.269 ( 0.000 -1.426 2.093) 2.533 10.281 ( 0.000 1.111 7.504) 7.586 10.480 ( 0.000 4.819 6.557) 8.138 10.939 ( 0.000 5.609 -0.835) 5.671 11.439 ( 0.000 -9.696 2.883) 10.116 11.548 ( 0.000 -1.153 2.762) 2.993 11.870 ( 0.000 -10.259 -3.907) 10.978 12.070 ( 0.000 -4.923 1.055) 5.034 12.158 ( 0.000 -9.735 -5.626) 11.243 12.185 ( 0.000 -3.569 -5.851) 6.854 13.228 ( 0.000 3.479 1.063) 3.637 13.773 ( 0.000 -3.543 -0.947) 3.668 14.040 ( 0.000 -0.969 -22.726) 22.747 14.230 ( 0.000 -2.089 -5.008) 5.426 14.677 ( 0.000 -6.237 -4.990) 7.988 14.899 ( 0.000 -12.881 -1.097) 12.928 15.167 ( 0.000 9.356 -16.671) 19.117 15.204 ( 0.000 -0.200 -5.980) 5.983 16.796 ( 0.000 0.271 26.209) 26.210 17.152 ( 0.000 -14.492 37.041) 39.775 17.186 ( 0.000 -7.245 -3.183) 7.913 17.461 ( 0.000 -11.516 -5.178) 12.627 18.619 ( 0.000 6.231 -12.609) 14.065 18.706 ( 0.000 13.544 -13.919) 19.421 18.907 ( 0.000 16.033 -0.725) 16.049 19.257 ( 0.000 -6.667 9.886) 11.924 19.364 ( 0.000 0.890 6.006) 6.071 19.581 ( 0.000 -1.459 -1.648) 2.202 19.734 ( 0.000 -8.828 14.499) 16.976 20.263 ( 0.000 -16.344 3.128) 16.641 21.082 ( 0.000 10.529 0.647) 10.549 21.115 ( 0.000 7.904 3.962) 8.841 22.708 ( 0.000 -6.367 -13.806) 15.203 23.278 ( 0.000 -23.660 -7.953) 24.960 24.360 ( 0.000 -0.229 4.173) 4.179 24.784 ( 0.000 -11.414 -0.626) 11.431 24.892 ( 0.000 4.543 -3.659) 5.833 24.955 ( 0.000 0.115 -1.206) 1.211 25.062 ( 0.000 -1.429 -1.543) 2.103 25.066 ( 0.000 -1.822 -0.034) 1.822 25.150 ( 0.000 6.993 0.108) 6.994 25.551 ( 0.000 -0.509 -6.592) 6.612 ======================= Grid point 34 (16/60) ======================= q-point: ( 0.33 0.25 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 1.94e-05 1.94e-05 1.94e-05 1.94e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.897 ( 5.929 13.947 10.560) 18.472 1.099 ( 7.795 14.515 -0.991) 16.506 1.126 ( -11.783 7.838 12.351) 18.784 1.350 ( -14.076 11.246 -4.747) 18.632 1.588 ( 11.342 2.652 5.339) 12.814 1.694 ( 3.791 2.117 5.383) 6.916 1.762 ( -1.872 0.302 1.820) 2.628 1.848 ( 2.115 -0.781 6.666) 7.037 1.908 ( -4.170 0.165 2.413) 4.821 2.044 ( -5.991 -0.582 2.790) 6.635 2.076 ( 7.159 8.447 3.995) 11.772 2.199 ( -2.921 1.248 -2.101) 3.808 2.351 ( 3.999 0.985 -3.164) 5.193 2.383 ( 4.249 2.272 3.773) 6.120 2.427 ( -1.392 1.237 -1.130) 2.178 2.542 ( -3.111 0.642 7.459) 8.108 2.583 ( 2.099 0.617 1.702) 2.771 2.674 ( -3.493 -1.449 1.288) 3.995 3.119 ( 3.274 -1.226 0.521) 3.534 3.137 ( 2.032 2.914 -2.674) 4.447 3.232 ( 0.623 -1.423 6.761) 6.937 3.276 ( -3.649 -3.495 7.778) 9.275 3.389 ( 2.531 -5.846 -1.855) 6.635 3.468 ( -4.626 -6.460 -0.826) 7.988 3.932 ( 4.405 5.009 1.723) 6.889 4.018 ( -2.929 3.739 0.529) 4.779 4.192 ( 1.985 2.966 -8.287) 9.023 4.235 ( -2.095 2.043 -8.312) 8.812 4.407 ( 1.405 -6.101 3.105) 6.988 4.437 ( -1.282 -4.369 0.158) 4.556 4.755 ( 6.922 -0.357 -1.412) 7.073 4.905 ( -6.031 -0.608 -3.816) 7.162 5.030 ( 3.646 4.524 1.298) 5.954 5.124 ( -4.524 5.233 0.221) 6.921 5.241 ( 1.649 1.662 2.506) 3.430 5.264 ( -0.429 2.232 3.477) 4.154 5.700 ( 1.669 -1.001 -0.171) 1.953 5.738 ( -1.252 -2.569 -2.547) 3.828 5.918 ( 4.710 -0.304 -0.093) 4.721 6.022 ( -2.800 0.583 -0.787) 2.966 6.381 ( 0.759 2.493 -3.315) 4.217 6.453 ( -3.992 -0.071 -4.187) 5.785 6.570 ( 0.816 5.740 -3.280) 6.661 6.616 ( -1.418 5.635 1.464) 5.992 6.818 ( -1.226 3.393 5.643) 6.698 6.849 ( -2.729 5.419 2.317) 6.494 6.956 ( 4.170 0.616 0.297) 4.226 6.988 ( 3.248 1.721 -2.880) 4.670 7.142 ( -1.581 -1.056 3.327) 3.832 7.157 ( -3.145 3.253 3.631) 5.802 7.367 ( 4.102 0.364 4.322) 5.970 7.416 ( -0.156 7.237 5.510) 9.097 7.637 ( 2.805 -10.748 4.336) 11.924 7.730 ( -5.783 -12.457 3.431) 14.156 7.948 ( 0.705 2.651 -4.257) 5.064 7.955 ( 0.791 2.659 -3.449) 4.426 8.260 ( 7.109 -0.188 14.146) 15.833 8.469 ( -12.117 4.406 8.886) 15.659 9.037 ( 3.898 1.849 -0.209) 4.319 9.066 ( 0.732 -4.723 1.617) 5.046 9.236 ( 14.638 3.758 -1.827) 15.222 9.566 ( -14.233 9.931 -0.211) 17.356 9.901 ( 2.924 9.744 -3.327) 10.703 9.997 ( -4.450 4.657 -5.376) 8.390 10.115 ( 2.341 3.717 4.334) 6.171 10.209 ( -4.340 4.246 5.828) 8.417 10.278 ( -0.088 -1.150 5.449) 5.570 10.280 ( -0.282 -1.508 3.911) 4.201 10.606 ( 9.822 4.170 2.776) 11.026 10.822 ( -9.332 4.400 0.513) 10.330 11.551 ( 8.119 -4.329 0.524) 9.216 11.608 ( 4.337 -0.918 2.639) 5.159 11.817 ( -4.242 -8.784 -2.945) 10.190 11.873 ( -11.793 1.413 -2.283) 12.094 12.174 ( 1.415 -10.060 -4.712) 11.199 12.201 ( -0.546 -8.770 -3.518) 9.465 13.314 ( 8.017 2.808 0.878) 8.539 13.559 ( -14.305 1.560 -1.029) 14.427 14.084 ( 6.786 -8.010 -8.067) 13.240 14.255 ( -6.308 -6.779 -7.050) 11.638 14.679 ( 9.271 -3.173 -11.936) 15.444 14.944 ( -12.698 3.588 -18.268) 22.535 15.121 ( 10.754 -7.205 -0.091) 12.945 15.260 ( -1.606 -0.302 -6.352) 6.559 16.821 ( 3.049 -1.185 24.726) 24.941 16.954 ( -9.540 -5.001 26.086) 28.223 17.328 ( 7.225 -11.553 3.396) 14.043 17.449 ( -3.078 -12.238 1.715) 12.735 18.631 ( 1.261 8.562 -12.748) 15.408 18.671 ( -2.285 12.097 -13.214) 18.060 18.999 ( 6.804 12.945 2.851) 14.899 19.151 ( -7.595 4.126 12.767) 15.417 19.346 ( 1.918 -3.511 -3.034) 5.021 19.460 ( -8.007 0.796 -4.611) 9.274 19.917 ( 12.131 -9.756 11.233) 19.197 20.154 ( -9.306 -13.504 6.475) 17.632 21.159 ( 2.970 5.379 1.019) 6.228 21.165 ( 3.247 5.009 -0.097) 5.970 22.924 ( 15.910 -15.682 -11.997) 25.357 23.197 ( -8.211 -22.912 -9.107) 25.986 24.431 ( 6.865 -0.051 2.688) 7.373 24.636 ( -11.269 -1.068 -0.203) 11.321 24.865 ( 1.443 -7.868 -1.055) 8.069 24.915 ( -2.805 -4.463 -1.150) 5.395 25.095 ( 2.292 3.369 -1.091) 4.218 25.133 ( -1.125 5.648 -0.260) 5.765 25.259 ( 11.129 1.326 -2.626) 11.511 25.466 ( -7.577 0.564 -5.136) 9.171 ======================= Grid point 36 (17/60) ======================= q-point: ( 0.00 0.38 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 1.94e-05 1.94e-05 1.94e-05 1.94e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.160 ( 0.000 12.783 4.278) 13.480 1.282 ( 0.000 9.308 0.139) 9.309 1.396 ( 0.000 10.098 5.564) 11.529 1.583 ( 0.000 4.090 2.054) 4.576 1.723 ( 0.000 4.061 5.153) 6.561 1.726 ( 0.000 -0.709 2.022) 2.142 1.787 ( 0.000 -1.473 5.881) 6.063 1.824 ( 0.000 3.648 -2.101) 4.210 1.984 ( 0.000 4.178 -5.845) 7.184 2.047 ( 0.000 -1.061 -9.280) 9.340 2.100 ( 0.000 -0.578 0.851) 1.029 2.152 ( 0.000 -3.041 -2.965) 4.247 2.333 ( 0.000 -7.217 1.493) 7.370 2.371 ( 0.000 -5.677 -12.384) 13.623 2.434 ( 0.000 14.464 15.385) 21.116 2.564 ( 0.000 10.416 2.800) 10.786 2.708 ( 0.000 2.662 15.963) 16.183 2.724 ( 0.000 4.482 4.241) 6.170 3.025 ( 0.000 -5.344 4.555) 7.022 3.155 ( 0.000 -11.839 -2.577) 12.116 3.173 ( 0.000 -2.512 8.201) 8.577 3.210 ( 0.000 2.236 -3.489) 4.144 3.330 ( 0.000 -0.008 4.727) 4.727 3.361 ( 0.000 -7.435 2.829) 7.955 4.002 ( 0.000 4.710 2.517) 5.340 4.113 ( 0.000 2.592 0.760) 2.701 4.123 ( 0.000 -3.685 3.233) 4.903 4.246 ( 0.000 -3.867 2.286) 4.492 4.375 ( 0.000 5.409 -7.035) 8.874 4.517 ( 0.000 7.044 -8.563) 11.088 4.617 ( 0.000 -3.966 -4.517) 6.011 4.873 ( 0.000 -7.274 -5.410) 9.065 5.099 ( 0.000 4.372 3.334) 5.498 5.182 ( 0.000 -1.066 4.919) 5.033 5.356 ( 0.000 4.248 3.143) 5.284 5.358 ( 0.000 6.171 -0.483) 6.190 5.667 ( 0.000 -2.134 0.538) 2.201 5.674 ( 0.000 -0.622 4.203) 4.249 5.883 ( 0.000 1.424 -5.456) 5.639 6.011 ( 0.000 -2.138 -8.057) 8.335 6.426 ( 0.000 0.268 6.085) 6.091 6.476 ( 0.000 -0.964 7.925) 7.984 6.665 ( 0.000 3.855 -0.945) 3.969 6.797 ( 0.000 -0.203 -4.214) 4.219 6.812 ( 0.000 4.410 2.349) 4.997 6.899 ( 0.000 1.981 4.368) 4.796 6.908 ( 0.000 -4.814 0.836) 4.887 7.116 ( 0.000 9.803 -3.021) 10.258 7.136 ( 0.000 1.079 6.080) 6.175 7.216 ( 0.000 -5.892 1.902) 6.192 7.248 ( 0.000 -1.240 2.499) 2.790 7.412 ( 0.000 -4.986 6.841) 8.465 7.522 ( 0.000 1.613 5.819) 6.038 7.542 ( 0.000 -7.951 4.938) 9.360 8.028 ( 0.000 5.847 -6.991) 9.113 8.123 ( 0.000 5.520 -3.699) 6.644 8.246 ( 0.000 9.592 9.639) 13.599 8.835 ( 0.000 -13.946 2.880) 14.241 8.964 ( 0.000 16.261 5.370) 17.124 9.005 ( 0.000 3.517 2.350) 4.230 9.050 ( 0.000 -0.001 1.730) 1.730 9.703 ( 0.000 -15.028 -6.145) 16.236 10.010 ( 0.000 2.832 5.239) 5.956 10.079 ( 0.000 -3.590 -1.425) 3.862 10.170 ( 0.000 10.952 -8.527) 13.880 10.270 ( 0.000 2.332 -4.632) 5.186 10.349 ( 0.000 3.796 3.159) 4.938 10.381 ( 0.000 6.051 2.673) 6.615 10.650 ( 0.000 10.036 5.573) 11.479 11.057 ( 0.000 6.599 -1.491) 6.765 11.199 ( 0.000 -12.765 4.183) 13.433 11.586 ( 0.000 -15.473 -2.780) 15.720 11.595 ( 0.000 5.503 2.676) 6.119 11.922 ( 0.000 -7.853 -0.199) 7.855 12.012 ( 0.000 -4.186 -3.160) 5.245 12.080 ( 0.000 -5.428 -3.255) 6.329 13.348 ( 0.000 7.527 0.966) 7.589 13.677 ( 0.000 -5.756 -0.336) 5.766 14.032 ( 0.000 0.889 -18.699) 18.720 14.171 ( 0.000 -3.525 -6.004) 6.962 14.555 ( 0.000 -4.209 -4.871) 6.437 14.654 ( 0.000 -8.952 3.091) 9.471 15.218 ( 0.000 1.538 -6.276) 6.462 15.279 ( 0.000 1.384 -15.054) 15.118 16.832 ( 0.000 2.849 16.690) 16.931 17.009 ( 0.000 -0.933 20.704) 20.725 17.037 ( 0.000 -6.566 0.977) 6.638 17.227 ( 0.000 -9.724 1.113) 9.787 18.735 ( 0.000 5.094 -8.745) 10.120 19.017 ( 0.000 14.776 -12.234) 19.183 19.048 ( 0.000 -9.389 -4.223) 10.295 19.212 ( 0.000 12.186 4.719) 13.067 19.487 ( 0.000 3.135 3.165) 4.455 19.526 ( 0.000 -0.610 -1.401) 1.528 19.605 ( 0.000 -3.897 9.583) 10.345 19.937 ( 0.000 -14.557 5.482) 15.555 21.263 ( 0.000 6.172 -0.697) 6.211 21.271 ( 0.000 5.853 2.263) 6.275 22.582 ( 0.000 -3.859 -7.476) 8.413 22.836 ( 0.000 -16.855 -5.074) 17.602 24.366 ( 0.000 0.996 3.611) 3.745 24.554 ( 0.000 -9.117 1.242) 9.201 24.939 ( 0.000 0.771 -0.723) 1.057 24.951 ( 0.000 -0.348 -1.310) 1.356 25.033 ( 0.000 -0.926 -1.578) 1.829 25.039 ( 0.000 -0.871 0.187) 0.891 25.297 ( 0.000 6.246 -0.772) 6.294 25.503 ( 0.000 -3.522 -2.912) 4.569 ======================= Grid point 37 (18/60) ======================= q-point: ( 0.33 0.38 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 1.94e-05 1.94e-05 1.94e-05 1.94e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.191 ( 3.842 11.984 5.508) 13.737 1.316 ( -5.715 8.372 4.959) 11.285 1.374 ( 6.525 10.743 1.685) 12.681 1.553 ( -6.635 5.221 -2.621) 8.840 1.653 ( 0.632 5.674 0.399) 5.723 1.720 ( -1.593 0.312 -0.022) 1.624 1.768 ( -0.641 0.241 2.166) 2.272 1.804 ( -2.281 -1.467 -0.104) 2.714 1.943 ( 1.533 1.374 0.552) 2.132 2.029 ( -5.075 -0.422 1.682) 5.363 2.153 ( 2.715 -1.568 -4.777) 5.714 2.167 ( 0.709 -3.086 -3.410) 4.654 2.377 ( 7.744 -2.138 0.279) 8.038 2.478 ( 4.275 7.901 6.664) 11.185 2.503 ( 1.754 -0.414 -1.732) 2.499 2.586 ( 3.432 9.603 4.313) 11.072 2.609 ( -5.092 2.292 10.769) 12.130 2.711 ( -4.210 4.425 2.871) 6.749 3.032 ( 1.344 -6.122 3.181) 7.029 3.090 ( -3.435 -9.211 1.601) 9.961 3.204 ( 1.987 0.534 3.273) 3.866 3.259 ( 2.776 -0.098 0.542) 2.831 3.291 ( -2.777 -3.619 7.047) 8.395 3.335 ( -2.212 -4.163 1.296) 4.889 4.022 ( 1.752 2.957 2.882) 4.486 4.064 ( -2.096 0.341 3.038) 3.706 4.182 ( 2.652 -1.467 1.521) 3.391 4.228 ( -1.638 -2.785 1.825) 3.711 4.389 ( 1.588 4.012 -6.583) 7.871 4.446 ( -3.711 3.614 -7.121) 8.806 4.722 ( 6.466 -2.164 -5.671) 8.868 4.835 ( -3.673 -5.277 -5.676) 8.576 5.128 ( 2.847 3.685 2.488) 5.280 5.187 ( -0.843 0.294 3.533) 3.644 5.299 ( -2.269 3.515 1.275) 4.374 5.320 ( -2.871 2.864 2.617) 4.827 5.694 ( 1.749 0.511 -0.937) 2.049 5.709 ( 1.070 -0.040 -1.413) 1.773 5.929 ( 5.267 1.107 -0.691) 5.426 6.024 ( -0.999 -0.775 -1.452) 1.925 6.375 ( -1.408 -1.655 1.254) 2.509 6.438 ( -6.352 -0.624 0.736) 6.425 6.648 ( 1.890 2.600 1.705) 3.639 6.712 ( -1.908 3.307 2.055) 4.336 6.874 ( 2.394 0.782 5.969) 6.479 6.946 ( 3.237 3.250 2.470) 5.210 6.992 ( 0.228 -0.317 0.654) 0.761 7.022 ( -1.022 1.876 -1.015) 2.365 7.081 ( -2.296 -1.124 1.812) 3.134 7.150 ( -5.462 -4.725 2.058) 7.510 7.371 ( 7.449 -1.927 4.362) 8.845 7.493 ( 2.015 0.106 5.515) 5.873 7.502 ( -1.148 -6.737 6.310) 9.301 7.545 ( 0.200 3.590 5.092) 6.233 8.010 ( 1.212 4.062 -6.942) 8.134 8.083 ( -3.725 4.674 -5.676) 8.243 8.354 ( 8.699 8.473 7.661) 14.358 8.597 ( -14.057 5.250 3.589) 15.429 8.936 ( 3.393 -5.286 7.791) 10.008 9.014 ( -3.095 -2.674 3.815) 5.593 9.356 ( 18.012 6.340 -1.586) 19.161 9.691 ( -8.885 -2.268 -6.313) 11.132 9.829 ( -1.856 -3.850 1.111) 4.416 9.956 ( -8.607 -5.904 -1.916) 10.612 10.297 ( 4.626 8.099 -2.026) 9.545 10.305 ( 1.840 2.978 -2.052) 4.058 10.342 ( -0.450 4.597 2.182) 5.108 10.367 ( -1.366 6.851 1.988) 7.263 10.748 ( 8.312 9.634 3.184) 13.117 10.936 ( -8.208 6.951 0.365) 10.762 11.352 ( 9.775 -11.883 2.184) 15.541 11.521 ( -5.281 -13.124 0.438) 14.153 11.699 ( 7.974 2.670 -0.477) 8.423 11.873 ( -5.891 -2.052 -1.065) 6.328 11.997 ( -0.760 -5.835 -3.375) 6.784 12.017 ( -3.365 -7.433 -2.746) 8.609 13.416 ( 6.585 6.488 -0.227) 9.247 13.609 ( -9.332 2.431 -2.182) 9.887 13.911 ( 3.269 -7.613 -5.685) 10.048 14.117 ( -12.778 -5.770 -1.095) 14.063 14.613 ( 16.852 -2.594 -14.848) 22.609 14.963 ( 1.817 -2.769 -11.392) 11.864 15.016 ( -2.199 -0.455 -3.554) 4.203 15.239 ( -6.944 -1.347 -5.631) 9.041 16.836 ( 1.337 2.230 13.790) 14.033 16.908 ( -5.196 0.211 14.457) 15.364 17.134 ( 5.239 -6.920 6.448) 10.812 17.216 ( -1.986 -9.186 5.228) 10.754 18.776 ( 3.836 4.160 -9.664) 11.199 18.889 ( -6.387 3.875 -10.702) 13.051 19.146 ( 3.568 2.686 0.648) 4.513 19.197 ( -1.439 8.624 5.123) 10.133 19.419 ( -0.611 5.447 -0.079) 5.482 19.474 ( -3.880 0.344 -4.685) 6.092 19.757 ( 8.446 -5.678 8.493) 13.255 19.895 ( -4.187 -10.988 6.688) 13.527 21.280 ( 0.928 4.899 -1.087) 5.103 21.283 ( 0.681 4.808 -0.421) 4.874 22.662 ( 6.344 -8.378 -5.914) 12.058 22.788 ( -4.527 -14.773 -4.854) 16.196 24.438 ( 6.445 0.874 2.590) 7.001 24.568 ( -1.695 -4.725 1.265) 5.177 24.750 ( -4.846 -2.393 -0.336) 5.415 24.821 ( -7.672 -3.812 -0.325) 8.573 25.151 ( 6.017 1.779 -1.173) 6.383 25.211 ( 3.580 1.273 -0.054) 3.800 25.303 ( 3.845 3.192 -1.892) 5.343 25.443 ( -5.598 -2.312 -2.570) 6.580 ======================= Grid point 39 (19/60) ======================= q-point: ( 0.00 -0.50 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 1.94e-05 1.94e-05 1.94e-05 1.94e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 50 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.358 ( 0.000 -3.865 3.502) 5.216 1.358 ( 0.000 3.865 3.502) 5.216 1.605 ( 0.000 -8.028 3.614) 8.804 1.605 ( 0.000 8.028 3.614) 8.804 1.696 ( 0.000 -3.728 0.906) 3.836 1.696 ( 0.000 3.728 0.906) 3.836 1.807 ( 0.000 -4.024 -1.963) 4.477 1.807 ( 0.000 4.024 -1.963) 4.477 2.069 ( 0.000 -0.000 -5.279) 5.279 2.069 ( 0.000 0.000 -5.279) 5.279 2.108 ( 0.000 -2.321 -1.231) 2.627 2.108 ( 0.000 2.321 -1.231) 2.627 2.242 ( 0.000 -1.335 -6.136) 6.279 2.242 ( 0.000 1.335 -6.136) 6.279 2.681 ( 0.000 -6.481 15.263) 16.582 2.681 ( 0.000 6.481 15.263) 16.582 2.843 ( 0.000 -13.497 -0.224) 13.499 2.843 ( 0.000 13.497 -0.224) 13.499 2.883 ( 0.000 -10.085 4.664) 11.112 2.883 ( 0.000 10.085 4.664) 11.112 3.166 ( 0.000 -2.786 4.921) 5.655 3.166 ( 0.000 2.787 4.921) 5.655 3.317 ( 0.000 -0.984 2.226) 2.434 3.317 ( 0.000 0.984 2.226) 2.434 4.070 ( 0.000 -2.061 3.017) 3.653 4.070 ( 0.000 2.061 3.017) 3.653 4.169 ( 0.000 -2.961 2.999) 4.214 4.169 ( 0.000 2.961 2.999) 4.214 4.507 ( 0.000 -6.131 -7.145) 9.415 4.507 ( 0.000 6.131 -7.145) 9.415 4.693 ( 0.000 -8.956 -7.107) 11.433 4.693 ( 0.000 8.956 -7.107) 11.433 5.159 ( 0.000 -1.437 4.262) 4.497 5.159 ( 0.000 1.437 4.262) 4.497 5.417 ( 0.000 -0.438 1.990) 2.037 5.417 ( 0.000 0.438 1.990) 2.037 5.656 ( 0.000 -0.683 2.188) 2.293 5.656 ( 0.000 0.683 2.188) 2.293 5.942 ( 0.000 -3.588 -7.425) 8.247 5.942 ( 0.000 3.588 -7.425) 8.247 6.443 ( 0.000 -0.756 8.752) 8.785 6.443 ( 0.000 0.756 8.752) 8.785 6.767 ( 0.000 -5.328 -1.125) 5.446 6.767 ( 0.000 5.328 -1.125) 5.446 6.827 ( 0.000 -0.136 1.048) 1.057 6.827 ( 0.000 0.136 1.048) 1.057 7.022 ( 0.000 -8.619 1.594) 8.765 7.022 ( 0.000 8.619 1.594) 8.765 7.196 ( 0.000 -3.528 9.667) 10.291 7.196 ( 0.000 3.528 9.667) 10.291 7.307 ( 0.000 -6.650 -0.431) 6.664 7.307 ( 0.000 6.650 -0.431) 6.664 7.499 ( 0.000 -2.136 4.451) 4.937 7.499 ( 0.000 2.136 4.451) 4.937 8.142 ( 0.000 -3.106 -5.045) 5.925 8.142 ( 0.000 3.106 -5.045) 5.925 8.524 ( 0.000 -14.859 4.623) 15.562 8.524 ( 0.000 14.859 4.623) 15.562 9.045 ( 0.000 -0.383 3.103) 3.127 9.045 ( 0.000 0.383 3.103) 3.127 9.340 ( 0.000 -18.224 -0.495) 18.231 9.340 ( 0.000 18.224 -0.495) 18.231 10.033 ( 0.000 -0.698 3.781) 3.844 10.033 ( 0.000 0.698 3.781) 3.844 10.293 ( 0.000 -1.369 -8.979) 9.082 10.293 ( 0.000 1.369 -8.979) 9.082 10.426 ( 0.000 -2.123 0.006) 2.123 10.426 ( 0.000 2.123 0.006) 2.123 10.909 ( 0.000 -13.874 6.589) 15.359 10.909 ( 0.000 13.874 6.589) 15.359 11.269 ( 0.000 -13.237 -3.083) 13.592 11.269 ( 0.000 13.237 -3.083) 13.592 11.749 ( 0.000 -8.162 1.609) 8.320 11.749 ( 0.000 8.162 1.609) 8.320 11.990 ( 0.000 -2.136 -3.016) 3.696 11.990 ( 0.000 2.136 -3.016) 3.696 13.524 ( 0.000 -8.232 0.695) 8.262 13.524 ( 0.000 8.232 0.695) 8.262 14.086 ( 0.000 -1.667 -12.438) 12.549 14.086 ( 0.000 1.667 -12.438) 12.549 14.532 ( 0.000 -0.586 -0.594) 0.835 14.532 ( 0.000 0.586 -0.594) 0.835 15.262 ( 0.000 -1.356 -9.279) 9.378 15.262 ( 0.000 1.356 -9.279) 9.378 16.914 ( 0.000 -4.749 7.792) 9.125 16.914 ( 0.000 4.749 7.792) 9.125 17.064 ( 0.000 -5.383 9.400) 10.832 17.064 ( 0.000 5.383 9.400) 10.832 18.862 ( 0.000 -7.345 -5.246) 9.026 18.862 ( 0.000 7.345 -5.246) 9.026 19.292 ( 0.000 -9.612 -8.747) 12.997 19.292 ( 0.000 9.612 -8.747) 12.997 19.506 ( 0.000 -6.909 3.641) 7.810 19.506 ( 0.000 6.909 3.641) 7.810 19.663 ( 0.000 -9.381 7.293) 11.882 19.663 ( 0.000 9.381 7.293) 11.882 21.333 ( 0.000 -0.241 -0.135) 0.276 21.333 ( 0.000 0.241 -0.135) 0.276 22.594 ( 0.000 -5.702 -4.337) 7.165 22.594 ( 0.000 5.702 -4.337) 7.165 24.415 ( 0.000 -4.037 2.629) 4.817 24.415 ( 0.000 4.037 2.629) 4.817 24.945 ( 0.000 -0.006 -1.050) 1.050 24.945 ( 0.000 0.006 -1.050) 1.050 25.027 ( 0.000 -0.012 -0.215) 0.215 25.027 ( 0.000 0.012 -0.215) 0.215 25.413 ( 0.000 -4.819 -1.381) 5.013 25.413 ( 0.000 4.819 -1.381) 5.013 ======================= Grid point 41 (20/60) ======================= q-point: ( 0.33 -0.50 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 1.94e-05 1.94e-05 1.94e-05 1.94e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 75 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.339 ( 1.315 -0.000 0.961) 1.629 1.392 ( -1.143 0.000 2.158) 2.442 1.553 ( -2.032 -0.000 2.432) 3.169 1.560 ( -1.561 0.000 3.696) 4.012 1.686 ( 1.506 0.000 2.926) 3.291 1.743 ( -2.347 0.000 5.354) 5.846 1.807 ( 2.014 -0.000 -4.964) 5.357 1.822 ( 0.393 -0.000 -1.598) 1.646 1.937 ( -1.934 0.000 -7.476) 7.722 1.998 ( -6.052 -0.000 -9.572) 11.324 2.126 ( 0.485 -0.000 -1.411) 1.492 2.127 ( 0.082 0.000 -1.399) 1.402 2.345 ( 11.475 0.000 5.320) 12.649 2.468 ( 9.725 0.000 -5.273) 11.063 2.573 ( -7.162 -0.000 16.528) 18.013 2.652 ( -4.762 0.000 7.085) 8.537 2.833 ( -0.148 -0.000 -0.298) 0.332 2.847 ( -0.423 0.000 2.539) 2.574 2.865 ( -0.921 -0.000 -0.257) 0.956 2.872 ( -0.435 0.000 2.763) 2.797 3.205 ( 3.542 0.000 5.581) 6.610 3.211 ( 2.486 0.000 6.915) 7.348 3.282 ( -1.629 0.000 4.305) 4.603 3.305 ( -2.347 0.000 2.430) 3.378 4.052 ( -0.484 0.000 3.558) 3.591 4.059 ( -0.936 0.000 4.346) 4.445 4.178 ( 0.898 0.000 3.058) 3.187 4.187 ( 0.347 -0.000 3.445) 3.463 4.476 ( -1.386 -0.000 -7.517) 7.644 4.478 ( -1.600 0.000 -6.860) 7.044 4.720 ( 1.838 0.000 -7.735) 7.950 4.728 ( 1.275 -0.000 -7.344) 7.454 5.168 ( 1.571 0.000 3.343) 3.694 5.183 ( 0.895 0.000 3.184) 3.307 5.337 ( -3.039 0.000 2.434) 3.893 5.361 ( -4.517 0.000 2.744) 5.285 5.707 ( 2.451 0.000 -1.701) 2.983 5.715 ( 2.689 0.000 -1.775) 3.222 5.951 ( 3.720 0.000 -2.343) 4.397 6.001 ( 1.436 0.000 -0.859) 1.674 6.351 ( -1.991 0.000 2.694) 3.350 6.431 ( -8.128 0.000 2.434) 8.484 6.682 ( 2.787 0.000 3.926) 4.815 6.754 ( -1.421 0.000 4.298) 4.527 6.896 ( 6.903 -0.000 1.225) 7.010 6.928 ( 0.742 0.000 2.656) 2.757 6.984 ( -3.610 -0.000 1.880) 4.070 7.031 ( 3.312 0.000 -1.843) 3.790 7.062 ( -7.043 0.000 6.031) 9.273 7.130 ( -5.078 0.000 1.805) 5.389 7.339 ( 4.501 0.000 7.141) 8.441 7.406 ( -1.035 0.000 5.925) 6.015 7.553 ( 5.718 0.000 3.592) 6.752 7.569 ( 3.308 0.000 3.499) 4.815 8.074 ( -1.585 0.000 -6.301) 6.497 8.120 ( -3.826 -0.000 -5.984) 7.103 8.551 ( 2.089 0.000 1.638) 2.654 8.562 ( 1.816 -0.000 2.752) 3.297 8.924 ( -4.296 0.000 7.353) 8.516 8.952 ( -5.742 -0.000 9.187) 10.833 9.508 ( 11.413 0.000 -4.297) 12.195 9.518 ( 10.989 -0.000 -4.187) 11.759 9.855 ( -11.140 0.000 0.469) 11.150 9.857 ( -11.704 -0.000 2.985) 12.079 10.343 ( 3.132 0.000 -6.546) 7.257 10.386 ( 1.451 0.000 -3.133) 3.452 10.400 ( 0.868 0.000 -0.554) 1.030 10.438 ( -0.461 0.000 0.796) 0.920 10.976 ( 5.522 0.000 4.254) 6.970 11.006 ( 4.643 -0.000 4.565) 6.511 11.212 ( -1.378 -0.000 -1.392) 1.958 11.260 ( -3.237 0.000 -0.482) 3.273 11.768 ( 3.748 0.000 -0.365) 3.766 11.810 ( 2.800 -0.000 0.202) 2.807 11.925 ( -4.306 0.000 -2.908) 5.196 11.945 ( -3.922 0.000 -2.470) 4.635 13.529 ( 3.527 0.000 -2.516) 4.332 13.616 ( 1.077 -0.000 0.611) 1.238 13.818 ( -2.270 0.000 -6.817) 7.185 14.045 ( -16.691 0.000 2.153) 16.830 14.584 ( 20.135 0.000 -16.114) 25.789 14.921 ( 11.876 0.000 -5.398) 13.045 15.024 ( -12.115 0.000 -8.920) 15.044 15.222 ( -8.375 0.000 -4.638) 9.574 16.882 ( 0.050 -0.000 4.877) 4.877 16.915 ( -2.209 0.000 7.636) 7.949 17.062 ( 2.040 0.000 9.971) 10.177 17.093 ( -0.119 0.000 12.278) 12.279 18.841 ( -0.679 -0.000 -5.219) 5.263 18.851 ( -1.235 0.000 -5.585) 5.720 19.283 ( 0.187 -0.000 -7.693) 7.696 19.294 ( -0.515 0.000 -7.421) 7.439 19.456 ( 0.108 0.000 2.599) 2.602 19.500 ( -3.364 0.000 4.153) 5.345 19.689 ( 4.647 0.000 6.315) 7.841 19.736 ( 1.060 0.000 7.182) 7.260 21.337 ( 0.194 -0.000 -1.817) 1.827 21.337 ( 0.189 0.000 -1.510) 1.522 22.593 ( 0.470 0.000 -3.489) 3.521 22.602 ( -0.049 -0.000 -3.086) 3.086 24.468 ( 4.902 -0.000 1.642) 5.169 24.489 ( 4.780 0.000 2.333) 5.319 24.734 ( -7.880 -0.000 -0.842) 7.924 24.774 ( -9.930 0.000 0.715) 9.956 25.170 ( 8.107 0.000 -1.637) 8.271 25.218 ( 5.928 0.000 0.545) 5.953 25.365 ( -2.637 0.000 -2.257) 3.471 25.392 ( -2.789 0.000 -0.988) 2.959 ======================= Grid point 54 (21/60) ======================= q-point: ( 0.00 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 1.94e-05 1.94e-05 1.94e-05 1.94e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.870 ( 0.000 0.000 22.556) 22.556 0.961 ( 0.000 0.000 23.916) 23.916 1.404 ( 0.000 0.000 4.203) 4.203 1.425 ( 0.000 0.000 -7.247) 7.247 1.517 ( 0.000 0.000 8.489) 8.489 1.641 ( 0.000 0.000 10.534) 10.534 1.662 ( 0.000 0.000 19.861) 19.861 1.786 ( 0.000 0.000 -1.085) 1.085 1.946 ( 0.000 0.000 7.211) 7.211 2.092 ( 0.000 0.000 -0.769) 0.769 2.192 ( 0.000 0.000 -0.186) 0.186 2.300 ( 0.000 0.000 -3.455) 3.455 2.331 ( 0.000 0.000 4.553) 4.553 2.386 ( 0.000 0.000 -3.421) 3.421 2.415 ( 0.000 0.000 -3.207) 3.207 2.416 ( 0.000 0.000 16.406) 16.406 2.712 ( 0.000 0.000 1.376) 1.376 2.828 ( 0.000 0.000 6.455) 6.455 2.924 ( 0.000 0.000 3.225) 3.225 3.082 ( 0.000 0.000 0.597) 0.597 3.479 ( 0.000 0.000 -0.915) 0.915 3.529 ( 0.000 0.000 17.059) 17.059 3.585 ( 0.000 0.000 14.809) 14.809 3.694 ( 0.000 0.000 3.864) 3.864 3.707 ( 0.000 0.000 -14.993) 14.993 3.740 ( 0.000 0.000 4.230) 4.230 3.921 ( 0.000 0.000 1.001) 1.001 3.928 ( 0.000 0.000 -14.050) 14.050 4.688 ( 0.000 0.000 4.646) 4.646 4.744 ( 0.000 0.000 4.628) 4.628 4.855 ( 0.000 0.000 7.891) 7.891 4.856 ( 0.000 0.000 -0.814) 0.814 4.961 ( 0.000 0.000 -0.653) 0.653 5.116 ( 0.000 0.000 -0.596) 0.596 5.132 ( 0.000 0.000 -0.346) 0.346 5.294 ( 0.000 0.000 0.969) 0.969 5.667 ( 0.000 0.000 -0.903) 0.903 5.808 ( 0.000 0.000 0.086) 0.086 5.815 ( 0.000 0.000 -10.885) 10.885 5.942 ( 0.000 0.000 -4.769) 4.769 5.954 ( 0.000 0.000 4.925) 4.925 6.003 ( 0.000 0.000 -1.765) 1.765 6.505 ( 0.000 0.000 -12.074) 12.074 6.545 ( 0.000 0.000 7.499) 7.499 6.624 ( 0.000 0.000 2.082) 2.082 6.809 ( 0.000 0.000 -9.514) 9.514 6.973 ( 0.000 0.000 8.578) 8.578 6.987 ( 0.000 0.000 0.800) 0.800 7.041 ( 0.000 0.000 6.607) 6.607 7.386 ( 0.000 0.000 16.368) 16.368 7.415 ( 0.000 0.000 -6.950) 6.950 7.418 ( 0.000 0.000 -2.170) 2.170 7.565 ( 0.000 0.000 11.340) 11.340 8.062 ( 0.000 0.000 5.956) 5.956 8.141 ( 0.000 0.000 0.943) 0.943 8.155 ( 0.000 0.000 -11.359) 11.359 8.512 ( 0.000 0.000 0.549) 0.549 8.649 ( 0.000 0.000 -4.069) 4.069 8.710 ( 0.000 0.000 -6.730) 6.730 8.950 ( 0.000 0.000 11.974) 11.974 9.071 ( 0.000 0.000 -3.828) 3.828 9.135 ( 0.000 0.000 -2.610) 2.610 9.784 ( 0.000 0.000 5.554) 5.554 9.858 ( 0.000 0.000 -4.564) 4.564 10.112 ( 0.000 0.000 3.640) 3.640 10.269 ( 0.000 0.000 -13.737) 13.737 10.295 ( 0.000 0.000 4.502) 4.502 10.582 ( 0.000 0.000 9.965) 9.965 10.682 ( 0.000 0.000 -0.325) 0.325 11.435 ( 0.000 0.000 -4.985) 4.985 11.538 ( 0.000 0.000 8.993) 8.993 11.714 ( 0.000 0.000 0.782) 0.782 11.717 ( 0.000 0.000 4.018) 4.018 12.003 ( 0.000 0.000 -4.550) 4.550 12.039 ( 0.000 0.000 -4.870) 4.870 12.322 ( 0.000 0.000 -7.527) 7.527 13.241 ( 0.000 0.000 4.472) 4.472 13.808 ( 0.000 0.000 -4.174) 4.174 13.935 ( 0.000 0.000 10.797) 10.797 14.104 ( 0.000 0.000 -10.572) 10.572 14.311 ( 0.000 0.000 -13.006) 13.006 14.729 ( 0.000 0.000 -7.280) 7.280 15.053 ( 0.000 0.000 -10.954) 10.954 15.263 ( 0.000 0.000 -6.966) 6.966 17.256 ( 0.000 0.000 -7.699) 7.699 17.564 ( 0.000 0.000 -10.270) 10.270 17.759 ( 0.000 0.000 49.209) 49.209 17.981 ( 0.000 0.000 -22.517) 22.517 18.103 ( 0.000 0.000 -18.883) 18.883 18.276 ( 0.000 0.000 5.602) 5.602 18.553 ( 0.000 0.000 3.078) 3.078 19.399 ( 0.000 0.000 -3.265) 3.265 19.472 ( 0.000 0.000 -2.561) 2.561 20.433 ( 0.000 0.000 16.483) 16.483 20.651 ( 0.000 0.000 1.438) 1.438 20.912 ( 0.000 0.000 5.286) 5.286 20.984 ( 0.000 0.000 3.870) 3.870 21.291 ( 0.000 0.000 -6.446) 6.446 21.638 ( 0.000 0.000 -4.915) 4.915 23.720 ( 0.000 0.000 -33.124) 33.124 24.341 ( 0.000 0.000 4.495) 4.495 24.548 ( 0.000 0.000 7.101) 7.101 24.896 ( 0.000 0.000 -2.275) 2.275 24.916 ( 0.000 0.000 -2.104) 2.104 24.953 ( 0.000 0.000 -1.844) 1.844 25.082 ( 0.000 0.000 0.653) 0.653 25.099 ( 0.000 0.000 -2.590) 2.590 25.298 ( 0.000 0.000 -7.177) 7.177 ======================= Grid point 55 (22/60) ======================= q-point: ( 0.33 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 1.94e-05 1.94e-05 1.94e-05 1.94e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.881 ( -1.262 0.000 20.355) 20.394 1.008 ( 11.656 0.000 19.197) 22.458 1.041 ( -15.363 0.000 4.656) 16.053 1.295 ( -14.064 0.000 13.892) 19.768 1.731 ( 3.001 0.000 3.736) 4.792 1.762 ( 16.813 0.000 5.734) 17.764 1.770 ( -1.248 0.000 -0.082) 1.251 1.882 ( 12.323 0.000 3.005) 12.684 2.011 ( 4.590 0.000 6.776) 8.184 2.079 ( -1.603 0.000 1.801) 2.411 2.109 ( -8.205 0.000 3.932) 9.099 2.144 ( -12.696 0.000 1.689) 12.808 2.300 ( 1.224 0.000 -1.222) 1.730 2.338 ( -0.982 0.000 1.969) 2.200 2.500 ( 5.583 0.000 13.403) 14.520 2.534 ( 3.292 0.000 2.262) 3.994 2.733 ( 1.775 0.000 -5.264) 5.555 2.833 ( -6.897 0.000 1.753) 7.117 2.846 ( 3.067 0.000 5.289) 6.114 2.975 ( -7.803 0.000 2.204) 8.108 3.521 ( 2.994 0.000 -2.319) 3.787 3.561 ( 1.913 0.000 15.587) 15.704 3.584 ( -0.273 0.000 14.208) 14.211 3.590 ( -4.083 0.000 0.397) 4.102 3.770 ( 5.105 0.000 -13.731) 14.649 3.860 ( 4.931 0.000 3.810) 6.231 3.879 ( -4.344 0.000 -13.486) 14.169 3.918 ( -0.840 0.000 1.722) 1.915 4.712 ( 2.338 0.000 5.157) 5.662 4.769 ( 2.212 0.000 2.722) 3.508 4.785 ( -4.321 0.000 5.817) 7.247 4.825 ( -2.560 0.000 0.073) 2.561 5.019 ( 3.646 0.000 1.676) 4.013 5.093 ( -3.119 0.000 1.070) 3.298 5.165 ( 3.948 0.000 0.223) 3.954 5.252 ( -3.608 0.000 0.988) 3.741 5.727 ( 4.568 0.000 -3.614) 5.825 5.800 ( -1.732 0.000 -8.811) 8.979 5.841 ( 2.889 0.000 0.269) 2.901 5.913 ( -3.309 0.000 2.582) 4.197 5.927 ( -0.227 0.000 -5.487) 5.491 5.964 ( -3.158 0.000 -3.982) 5.082 6.574 ( 5.914 0.000 -10.762) 12.280 6.599 ( 4.536 0.000 8.416) 9.561 6.665 ( 0.880 0.000 6.795) 6.852 6.721 ( -6.961 0.000 -8.911) 11.308 6.895 ( -0.630 0.000 5.669) 5.704 7.006 ( -6.795 0.000 6.145) 9.162 7.050 ( 5.454 0.000 -0.900) 5.528 7.200 ( -8.558 0.000 -3.280) 9.164 7.406 ( 4.084 0.000 14.763) 15.318 7.513 ( -4.533 0.000 12.408) 13.210 7.688 ( 13.082 0.000 -2.778) 13.374 7.947 ( -10.578 0.000 1.589) 10.696 8.223 ( 7.243 0.000 -6.355) 9.636 8.342 ( 15.525 0.000 0.680) 15.540 8.399 ( -8.110 0.000 -1.984) 8.349 8.688 ( -15.774 0.000 1.489) 15.844 8.708 ( 2.505 0.000 -5.463) 6.010 8.725 ( 0.607 0.000 -6.503) 6.531 9.264 ( 11.618 0.000 -1.093) 11.669 9.329 ( 15.511 0.000 4.844) 16.250 9.569 ( -15.337 0.000 0.905) 15.364 9.662 ( -14.452 0.000 -1.044) 14.489 10.251 ( 8.689 0.000 8.012) 11.819 10.332 ( 1.810 0.000 0.564) 1.896 10.407 ( 8.544 0.000 -5.033) 9.916 10.544 ( -3.959 0.000 5.094) 6.451 10.669 ( 0.950 0.000 6.724) 6.791 10.957 ( -29.390 0.000 25.653) 39.011 11.471 ( 3.857 0.000 -2.044) 4.365 11.589 ( -6.430 0.000 1.499) 6.603 11.840 ( 6.061 0.000 -0.060) 6.061 11.955 ( -4.286 0.000 -3.132) 5.309 12.243 ( 7.061 0.000 -10.380) 12.554 12.324 ( -1.082 0.000 -8.234) 8.305 13.352 ( 10.093 0.000 4.542) 11.068 13.637 ( -15.970 0.000 4.674) 16.640 14.026 ( 14.333 0.000 -12.232) 18.844 14.251 ( -6.293 0.000 -14.218) 15.549 14.388 ( 14.724 0.000 -5.210) 15.619 14.639 ( -8.406 0.000 -6.602) 10.688 15.102 ( 4.344 0.000 -9.917) 10.827 15.208 ( -4.653 0.000 -7.971) 9.230 17.273 ( 2.180 0.000 -3.677) 4.275 17.376 ( -7.928 0.000 2.211) 8.230 17.999 ( 1.713 0.000 -20.980) 21.050 18.052 ( -3.170 0.000 -18.293) 18.566 18.216 ( 34.260 0.000 37.387) 50.710 18.361 ( 6.214 0.000 3.582) 7.173 18.491 ( -5.310 0.000 3.254) 6.228 19.227 ( -57.040 0.000 32.237) 65.519 19.430 ( 0.466 0.000 -1.004) 1.107 19.487 ( -9.227 0.000 -1.140) 9.297 20.520 ( 7.605 0.000 14.551) 16.419 20.721 ( -10.555 0.000 10.065) 14.585 21.135 ( 7.129 0.000 -0.817) 7.176 21.251 ( -3.713 0.000 -4.886) 6.137 22.837 ( 51.506 0.000 -36.135) 62.918 23.538 ( -18.301 0.000 -35.899) 40.295 24.384 ( 3.805 0.000 4.808) 6.131 24.484 ( -4.940 0.000 5.879) 7.680 24.923 ( 1.750 0.000 -1.475) 2.289 24.949 ( -0.569 0.000 -1.442) 1.550 24.970 ( 4.048 0.000 -0.844) 4.135 25.050 ( -2.922 0.000 0.303) 2.937 25.145 ( 4.311 0.000 -4.445) 6.192 25.249 ( -4.329 0.000 -6.488) 7.800 ======================= Grid point 57 (23/60) ======================= q-point: ( 0.00 0.12 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 1.94e-05 1.94e-05 1.94e-05 1.94e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.942 ( 0.000 5.999 19.111) 20.030 0.973 ( 0.000 1.913 20.051) 20.142 1.432 ( 0.000 1.195 -5.201) 5.337 1.478 ( 0.000 6.886 0.053) 6.886 1.558 ( 0.000 -3.852 13.097) 13.652 1.581 ( 0.000 5.214 8.177) 9.698 1.748 ( 0.000 3.719 10.953) 11.567 1.786 ( 0.000 -0.083 -0.966) 0.969 1.967 ( 0.000 2.032 9.076) 9.300 2.134 ( 0.000 2.427 -3.139) 3.967 2.145 ( 0.000 -4.402 -0.593) 4.441 2.231 ( 0.000 -3.650 -2.221) 4.272 2.291 ( 0.000 -1.803 4.027) 4.412 2.412 ( 0.000 1.794 3.344) 3.795 2.485 ( 0.000 4.430 14.319) 14.988 2.504 ( 0.000 5.278 -3.278) 6.213 2.680 ( 0.000 -1.131 3.942) 4.101 2.831 ( 0.000 -6.112 4.702) 7.711 2.934 ( 0.000 7.499 1.839) 7.721 3.116 ( 0.000 2.835 1.200) 3.079 3.430 ( 0.000 -4.259 -0.451) 4.283 3.453 ( 0.000 -4.680 14.013) 14.774 3.551 ( 0.000 -1.690 9.624) 9.771 3.598 ( 0.000 -5.595 -5.942) 8.162 3.802 ( 0.000 7.384 8.062) 10.933 3.847 ( 0.000 5.472 -7.207) 9.048 3.969 ( 0.000 3.463 -11.859) 12.355 3.984 ( 0.000 3.908 3.187) 5.043 4.625 ( 0.000 -5.174 4.695) 6.987 4.737 ( 0.000 -9.273 8.097) 12.310 4.750 ( 0.000 -0.737 3.376) 3.455 4.869 ( 0.000 1.004 -2.774) 2.951 4.999 ( 0.000 2.115 0.340) 2.142 5.052 ( 0.000 -1.207 0.962) 1.544 5.172 ( 0.000 4.357 0.240) 4.364 5.319 ( 0.000 1.369 2.407) 2.769 5.700 ( 0.000 2.846 0.300) 2.862 5.721 ( 0.000 -3.462 -7.557) 8.312 5.888 ( 0.000 -2.035 -1.164) 2.344 5.977 ( 0.000 -2.055 -1.971) 2.847 6.063 ( 0.000 16.608 -5.249) 17.417 6.168 ( 0.000 12.481 -3.138) 12.869 6.473 ( 0.000 0.341 -2.821) 2.842 6.648 ( 0.000 2.479 3.296) 4.124 6.670 ( 0.000 6.983 -3.450) 7.789 6.812 ( 0.000 0.842 -2.916) 3.035 6.921 ( 0.000 -0.729 6.430) 6.471 7.075 ( 0.000 3.493 5.615) 6.613 7.107 ( 0.000 5.959 2.410) 6.428 7.319 ( 0.000 -3.451 5.784) 6.735 7.376 ( 0.000 -3.985 -2.889) 4.921 7.491 ( 0.000 1.885 12.859) 12.996 7.600 ( 0.000 6.651 -2.475) 7.096 7.912 ( 0.000 -10.609 -0.141) 10.610 8.012 ( 0.000 -4.533 4.340) 6.275 8.161 ( 0.000 -9.279 0.090) 9.279 8.548 ( 0.000 -7.897 4.605) 9.142 8.603 ( 0.000 9.102 -5.672) 10.725 8.711 ( 0.000 3.362 -2.129) 3.980 8.971 ( 0.000 2.286 -1.607) 2.794 9.119 ( 0.000 3.022 -2.690) 4.046 9.360 ( 0.000 15.711 -0.210) 15.712 9.774 ( 0.000 -0.558 3.933) 3.972 9.965 ( 0.000 8.785 -3.978) 9.644 10.074 ( 0.000 -3.438 1.561) 3.775 10.236 ( 0.000 -1.948 -10.698) 10.874 10.318 ( 0.000 1.803 5.199) 5.503 10.523 ( 0.000 -4.976 9.091) 10.363 10.764 ( 0.000 6.368 -1.004) 6.447 10.993 ( 0.000 -19.234 17.281) 25.857 11.658 ( 0.000 -2.022 2.995) 3.614 11.666 ( 0.000 -4.786 4.458) 6.541 11.911 ( 0.000 11.579 -10.507) 15.636 11.926 ( 0.000 -4.812 -4.779) 6.782 12.091 ( 0.000 1.848 -2.918) 3.454 12.240 ( 0.000 -7.399 -6.620) 9.928 13.246 ( 0.000 0.273 4.044) 4.054 13.786 ( 0.000 -1.868 -3.853) 4.282 13.871 ( 0.000 -4.413 2.816) 5.235 14.101 ( 0.000 -0.274 -10.399) 10.403 14.436 ( 0.000 9.203 -14.853) 17.473 14.682 ( 0.000 -4.426 -7.237) 8.483 15.047 ( 0.000 -0.419 -10.929) 10.937 15.202 ( 0.000 -5.522 -5.435) 7.748 17.208 ( 0.000 -4.046 -6.527) 7.679 17.497 ( 0.000 -5.344 -9.149) 10.595 17.605 ( 0.000 -11.079 41.597) 43.047 18.098 ( 0.000 9.755 -21.608) 23.708 18.123 ( 0.000 -17.732 10.020) 20.367 18.153 ( 0.000 4.869 -19.579) 20.176 18.663 ( 0.000 11.490 7.796) 13.886 19.408 ( 0.000 -0.344 -2.376) 2.401 19.424 ( 0.000 -3.039 -2.804) 4.135 20.301 ( 0.000 -9.401 18.945) 21.150 20.318 ( 0.000 -39.820 24.699) 46.858 20.622 ( 0.000 -8.613 1.991) 8.841 20.923 ( 0.000 5.290 4.364) 6.858 21.074 ( 0.000 4.847 6.343) 7.983 22.224 ( 0.000 16.976 -24.582) 29.874 23.464 ( 0.000 -18.787 -24.076) 30.539 24.448 ( 0.000 2.965 3.942) 4.933 24.629 ( 0.000 9.200 0.788) 9.233 24.899 ( 0.000 -0.742 -1.981) 2.115 24.930 ( 0.000 -1.001 -2.529) 2.719 25.000 ( 0.000 3.816 -1.649) 4.157 25.084 ( 0.000 -1.035 -2.337) 2.555 25.091 ( 0.000 -0.997 -1.308) 1.645 25.319 ( 0.000 4.012 -7.758) 8.734 ======================= Grid point 58 (24/60) ======================= q-point: ( 0.33 0.12 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 1.94e-05 1.94e-05 1.94e-05 1.94e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.916 ( 0.160 3.931 14.947) 15.456 1.042 ( -0.097 5.216 11.557) 12.680 1.119 ( -4.394 5.296 9.765) 11.946 1.340 ( -12.850 3.404 14.636) 19.772 1.711 ( 6.586 -1.313 4.555) 8.115 1.759 ( -0.735 -0.535 0.779) 1.197 1.791 ( 8.530 1.714 3.722) 9.463 1.866 ( 9.310 -0.086 -1.323) 9.404 2.044 ( 0.058 -0.871 5.223) 5.296 2.068 ( -1.069 1.432 3.982) 4.365 2.103 ( -2.828 1.298 2.183) 3.801 2.175 ( -5.803 0.197 0.060) 5.807 2.280 ( 1.048 -1.284 -0.592) 1.760 2.353 ( -4.203 1.247 1.517) 4.639 2.525 ( 5.382 2.235 12.723) 13.994 2.589 ( 2.199 4.298 4.848) 6.842 2.692 ( 1.661 -1.341 4.042) 4.571 2.777 ( -4.547 -3.187 4.537) 7.170 2.946 ( 1.894 6.417 -1.139) 6.787 3.036 ( -5.730 4.291 -1.266) 7.270 3.437 ( 2.103 -5.016 3.306) 6.365 3.495 ( -2.345 -3.536 5.505) 6.951 3.529 ( 2.862 -4.456 7.128) 8.880 3.588 ( -1.904 -3.296 5.103) 6.366 3.824 ( 3.874 5.642 -6.505) 9.442 3.921 ( -1.259 4.151 -2.731) 5.126 3.927 ( 1.099 4.239 -6.474) 7.816 3.977 ( -1.040 3.762 2.084) 4.425 4.634 ( 1.400 -5.509 5.202) 7.705 4.689 ( -3.335 -7.074 6.305) 10.046 4.789 ( 3.108 -0.383 1.921) 3.674 4.852 ( -2.107 0.172 -0.217) 2.125 5.006 ( 0.897 1.018 0.606) 1.486 5.034 ( -1.420 -0.868 1.045) 1.965 5.219 ( 3.584 3.608 0.631) 5.125 5.290 ( -2.644 2.115 1.667) 3.773 5.703 ( 1.102 -1.234 -2.368) 2.888 5.731 ( -0.600 -2.144 -3.516) 4.162 5.913 ( 2.596 -0.416 -3.166) 4.115 5.960 ( -0.814 1.724 -3.775) 4.229 6.072 ( 0.109 14.201 -3.917) 14.731 6.117 ( -3.697 12.627 -4.242) 13.824 6.505 ( 4.025 -1.482 -1.978) 4.724 6.602 ( -3.232 -0.948 1.020) 3.519 6.775 ( 3.698 8.706 0.660) 9.482 6.803 ( 0.400 4.660 -1.908) 5.051 6.891 ( 0.509 0.562 5.870) 5.919 7.015 ( -6.651 2.061 3.808) 7.937 7.137 ( 3.132 4.840 3.408) 6.697 7.217 ( -3.087 1.038 -0.427) 3.285 7.438 ( -0.709 4.041 10.838) 11.589 7.479 ( -2.178 -2.595 8.875) 9.500 7.666 ( 9.809 -1.464 -4.605) 10.934 7.882 ( -8.242 -6.151 -0.414) 10.292 8.053 ( 7.492 -9.921 0.560) 12.445 8.182 ( -1.210 -12.015 2.501) 12.332 8.493 ( -1.778 3.253 -0.377) 3.726 8.533 ( -2.780 -3.689 2.325) 5.172 8.823 ( 5.537 8.468 -6.052) 11.789 8.950 ( -6.025 10.123 -6.728) 13.566 9.198 ( 13.347 -1.300 1.419) 13.485 9.458 ( 0.280 5.246 2.833) 5.969 9.619 ( -5.514 7.033 -2.526) 9.287 9.774 ( -11.102 7.765 -2.391) 13.757 10.229 ( 7.909 -1.672 5.267) 9.648 10.303 ( 2.269 -2.708 -2.479) 4.316 10.380 ( 4.863 -0.933 2.185) 5.412 10.483 ( -4.014 -4.694 6.534) 8.991 10.749 ( -0.142 5.527 5.156) 7.559 10.852 ( -10.177 -6.908 21.225) 24.531 11.570 ( -3.103 1.010 0.823) 3.366 11.606 ( -7.737 7.072 -0.507) 10.494 11.801 ( 4.589 -3.266 -0.828) 5.694 11.902 ( -3.910 -4.660 -3.405) 6.971 12.219 ( 3.746 -2.903 -7.953) 9.258 12.254 ( 0.266 -6.081 -6.677) 9.035 13.347 ( 9.155 -0.492 4.176) 10.075 13.603 ( -14.010 -2.633 3.931) 14.787 13.997 ( 12.197 -2.656 -11.021) 16.652 14.183 ( -2.188 -4.001 -10.582) 11.523 14.470 ( 5.587 4.249 -11.412) 13.398 14.618 ( -6.033 -1.421 -7.433) 9.678 15.092 ( 4.103 -1.088 -10.179) 11.029 15.176 ( -2.785 -2.870 -7.713) 8.688 17.220 ( 1.973 -4.895 -2.464) 5.825 17.322 ( -7.751 -4.305 2.356) 9.174 17.861 ( 14.355 -16.143 23.884) 32.205 18.070 ( -3.988 -3.214 -3.559) 6.237 18.146 ( -0.100 0.165 -13.970) 13.971 18.150 ( 0.427 -5.001 -6.418) 8.148 18.769 ( 13.255 17.430 12.058) 24.998 19.339 ( -28.920 5.650 11.792) 31.739 19.413 ( -0.696 -2.451 -1.129) 2.787 19.441 ( -15.433 -1.533 11.199) 19.130 20.423 ( 7.595 -9.360 14.869) 19.141 20.603 ( -7.939 -11.465 9.727) 17.002 21.114 ( 4.718 -0.488 -0.190) 4.747 21.147 ( 2.705 -3.057 0.241) 4.089 22.775 ( 35.094 -5.697 -28.582) 45.618 23.315 ( -15.109 -16.843 -26.836) 35.101 24.472 ( 2.682 3.555 3.542) 5.690 24.560 ( -4.981 6.068 1.912) 8.080 24.945 ( 2.314 0.401 -1.466) 2.768 24.961 ( 2.809 -2.540 -1.994) 4.280 24.986 ( -0.880 2.895 -1.321) 3.301 25.032 ( -2.627 0.463 -1.536) 3.078 25.169 ( 4.724 1.127 -3.976) 6.277 25.271 ( -4.195 3.481 -6.649) 8.598 ======================= Grid point 60 (25/60) ======================= q-point: ( 0.00 0.25 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 1.94e-05 1.94e-05 1.94e-05 1.94e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.074 ( 0.000 7.819 13.381) 15.498 1.097 ( 0.000 8.039 9.370) 12.346 1.485 ( 0.000 3.539 -4.015) 5.353 1.493 ( 0.000 -0.516 11.446) 11.458 1.683 ( 0.000 10.423 -4.125) 11.209 1.713 ( 0.000 6.930 8.733) 11.148 1.778 ( 0.000 -0.606 -0.793) 0.998 1.802 ( 0.000 1.573 4.564) 4.827 2.004 ( 0.000 0.303 7.605) 7.611 2.031 ( 0.000 -5.658 -2.445) 6.164 2.141 ( 0.000 -1.375 -5.674) 5.838 2.166 ( 0.000 -2.752 -1.364) 3.072 2.248 ( 0.000 -3.420 5.724) 6.668 2.479 ( 0.000 4.259 2.002) 4.706 2.511 ( 0.000 -5.184 -0.605) 5.219 2.582 ( 0.000 6.554 19.813) 20.868 2.748 ( 0.000 6.960 0.881) 7.016 2.761 ( 0.000 -0.085 5.860) 5.861 3.079 ( 0.000 4.880 -1.706) 5.170 3.180 ( 0.000 2.700 4.860) 5.560 3.317 ( 0.000 -6.115 1.405) 6.275 3.372 ( 0.000 -2.943 10.341) 10.752 3.481 ( 0.000 -5.432 -3.767) 6.610 3.527 ( 0.000 -0.970 9.540) 9.589 3.962 ( 0.000 7.359 8.252) 11.057 3.970 ( 0.000 6.332 -10.663) 12.401 4.054 ( 0.000 4.163 -10.939) 11.704 4.055 ( 0.000 3.142 3.023) 4.360 4.493 ( 0.000 -6.736 5.698) 8.822 4.544 ( 0.000 -7.372 9.625) 12.124 4.670 ( 0.000 -6.568 -1.546) 6.748 4.868 ( 0.000 -2.416 -5.810) 6.293 5.046 ( 0.000 5.017 2.712) 5.704 5.167 ( 0.000 8.112 -0.953) 8.168 5.261 ( 0.000 2.915 1.667) 3.358 5.344 ( 0.000 1.881 3.659) 4.114 5.681 ( 0.000 -0.547 -4.858) 4.889 5.764 ( 0.000 2.408 3.827) 4.521 5.840 ( 0.000 -1.882 0.643) 1.988 5.933 ( 0.000 -1.781 -2.609) 3.159 6.385 ( 0.000 8.547 -0.595) 8.568 6.415 ( 0.000 13.612 -8.646) 16.126 6.516 ( 0.000 3.089 -1.320) 3.359 6.729 ( 0.000 4.733 2.536) 5.369 6.730 ( 0.000 -0.624 -4.288) 4.333 6.905 ( 0.000 5.813 1.000) 5.899 6.957 ( 0.000 4.303 6.646) 7.918 7.095 ( 0.000 -1.913 10.416) 10.590 7.244 ( 0.000 3.117 0.949) 3.258 7.254 ( 0.000 -1.368 4.724) 4.918 7.282 ( 0.000 -1.360 -3.792) 4.028 7.547 ( 0.000 3.822 6.775) 7.778 7.720 ( 0.000 -7.792 5.144) 9.336 7.811 ( 0.000 11.313 -5.040) 12.385 7.888 ( 0.000 -13.626 5.677) 14.761 7.902 ( 0.000 -4.532 -0.554) 4.565 8.425 ( 0.000 -3.228 7.419) 8.091 8.787 ( 0.000 6.038 -8.957) 10.803 8.833 ( 0.000 7.974 2.782) 8.445 9.039 ( 0.000 3.832 0.106) 3.834 9.143 ( 0.000 -0.921 3.411) 3.533 9.689 ( 0.000 13.837 -7.428) 15.705 9.749 ( 0.000 -3.785 -4.080) 5.565 10.010 ( 0.000 -0.097 1.920) 1.923 10.100 ( 0.000 1.665 -4.731) 5.016 10.298 ( 0.000 9.282 -1.439) 9.393 10.330 ( 0.000 -2.848 4.597) 5.408 10.420 ( 0.000 -2.396 6.864) 7.270 10.688 ( 0.000 -6.320 13.479) 14.888 10.941 ( 0.000 6.654 2.438) 7.087 11.518 ( 0.000 -8.957 5.260) 10.387 11.612 ( 0.000 -1.085 3.490) 3.655 11.799 ( 0.000 -7.911 -2.885) 8.421 12.022 ( 0.000 -10.036 -5.597) 11.491 12.034 ( 0.000 0.830 -9.156) 9.193 12.096 ( 0.000 -3.351 -0.639) 3.412 13.267 ( 0.000 2.561 3.233) 4.124 13.735 ( 0.000 -2.931 -3.116) 4.278 13.788 ( 0.000 -2.922 -4.572) 5.426 14.090 ( 0.000 -1.103 -9.435) 9.500 14.552 ( 0.000 -7.111 -7.590) 10.400 14.596 ( 0.000 3.805 -17.960) 18.359 15.043 ( 0.000 0.144 -10.670) 10.671 15.067 ( 0.000 -5.389 -4.796) 7.214 17.117 ( 0.000 -3.714 -3.064) 4.814 17.368 ( 0.000 -6.176 -4.258) 7.502 17.378 ( 0.000 -9.443 31.395) 32.785 17.690 ( 0.000 -18.885 19.677) 27.273 18.293 ( 0.000 7.759 -20.240) 21.677 18.364 ( 0.000 14.712 -20.632) 25.340 18.902 ( 0.000 7.259 -1.792) 7.477 19.315 ( 0.000 -2.921 5.019) 5.807 19.428 ( 0.000 -0.826 -5.733) 5.793 19.813 ( 0.000 -10.168 24.125) 26.180 20.082 ( 0.000 -10.581 19.621) 22.292 20.370 ( 0.000 -12.382 9.313) 15.493 21.084 ( 0.000 7.980 -0.826) 8.023 21.206 ( 0.000 6.556 5.130) 8.325 22.375 ( 0.000 1.094 -19.952) 19.982 23.045 ( 0.000 -19.331 -16.504) 25.418 24.460 ( 0.000 -0.343 5.922) 5.932 24.776 ( 0.000 -9.057 -0.040) 9.057 24.829 ( 0.000 7.492 -2.366) 7.856 24.929 ( 0.000 0.378 -1.314) 1.367 25.019 ( 0.000 -1.945 -2.847) 3.448 25.049 ( 0.000 -1.749 -1.817) 2.522 25.141 ( 0.000 6.170 -1.198) 6.285 25.416 ( 0.000 3.060 -7.053) 7.689 ======================= Grid point 61 (26/60) ======================= q-point: ( 0.33 0.25 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 1.94e-05 1.94e-05 1.94e-05 1.94e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 122 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.070 ( 3.692 10.443 6.994) 13.100 1.207 ( 7.941 7.847 13.273) 17.344 1.263 ( -12.625 9.493 -0.612) 15.808 1.418 ( -9.440 4.137 13.770) 17.200 1.686 ( 5.979 -0.611 4.214) 7.341 1.755 ( -1.350 0.018 0.683) 1.513 1.797 ( 1.232 -0.727 2.283) 2.695 1.881 ( -0.891 -1.212 -2.902) 3.268 2.030 ( 5.204 2.123 6.801) 8.822 2.097 ( 4.229 -0.455 1.174) 4.412 2.119 ( -1.997 -0.987 0.215) 2.238 2.154 ( -0.998 -1.260 -1.881) 2.474 2.253 ( 1.987 -1.889 -0.182) 2.748 2.380 ( -7.321 2.904 -3.039) 8.442 2.586 ( 6.279 0.856 6.958) 9.412 2.649 ( 3.762 2.377 11.281) 12.127 2.731 ( -2.056 2.110 2.409) 3.805 2.741 ( -2.528 2.892 11.088) 11.734 3.076 ( 0.426 5.017 -2.918) 5.820 3.120 ( -3.527 3.206 -0.456) 4.788 3.330 ( 1.744 -5.635 2.420) 6.376 3.400 ( -3.881 -5.413 3.232) 7.403 3.448 ( 3.902 -2.264 8.993) 10.061 3.523 ( -1.975 -2.230 8.567) 9.070 3.962 ( 1.561 6.852 -8.306) 10.880 4.006 ( -1.163 3.899 -5.828) 7.108 4.028 ( 1.430 4.899 -1.371) 5.284 4.063 ( -0.833 4.413 3.235) 5.535 4.506 ( 1.088 -6.332 6.274) 8.981 4.531 ( -1.062 -6.771 8.030) 10.557 4.721 ( 4.399 -5.317 -2.488) 7.336 4.821 ( -4.131 -3.234 -4.717) 7.055 5.067 ( 2.075 5.243 1.882) 5.944 5.127 ( -3.102 6.958 0.304) 7.624 5.283 ( 1.780 1.945 1.125) 2.867 5.323 ( -1.710 1.427 2.403) 3.277 5.678 ( 0.552 -0.424 -2.383) 2.482 5.714 ( -2.688 -0.405 1.157) 2.954 5.925 ( 5.929 1.542 0.269) 6.132 5.987 ( 1.713 1.082 -1.826) 2.728 6.333 ( -3.205 6.298 -3.057) 7.700 6.342 ( -4.610 8.226 -4.156) 10.305 6.541 ( 3.380 5.571 -2.109) 6.849 6.628 ( -3.805 3.702 -0.706) 5.356 6.888 ( 4.811 3.450 1.101) 6.022 6.931 ( -0.724 4.878 4.054) 6.384 6.960 ( 3.219 5.926 1.779) 6.975 7.028 ( -2.748 -1.347 5.901) 6.647 7.211 ( -0.609 2.405 3.273) 4.107 7.246 ( -2.434 -1.014 4.688) 5.379 7.404 ( 8.074 -2.549 0.642) 8.491 7.544 ( -2.675 3.955 7.285) 8.710 7.693 ( -2.586 2.742 -5.018) 6.276 7.738 ( -1.758 -4.629 3.459) 6.040 7.876 ( 1.594 -6.196 -1.323) 6.533 7.942 ( -0.745 -7.873 2.884) 8.417 8.472 ( 3.651 -0.639 6.684) 7.643 8.583 ( -7.683 3.833 1.746) 8.761 8.993 ( 4.658 6.375 -4.235) 8.960 9.085 ( -3.590 2.357 -1.419) 4.523 9.231 ( 15.201 4.016 1.603) 15.805 9.552 ( -12.436 4.155 -0.497) 13.121 9.785 ( 3.077 4.699 -7.810) 9.620 9.879 ( -6.044 1.501 -5.843) 8.540 10.223 ( 5.713 1.377 3.755) 6.974 10.290 ( -0.559 3.283 0.184) 3.335 10.361 ( 1.240 -1.696 4.854) 5.290 10.397 ( -1.917 -2.032 6.127) 6.734 10.735 ( 4.785 -1.464 11.333) 12.389 10.866 ( -6.183 4.152 5.382) 9.188 11.570 ( 5.880 -1.957 1.313) 6.335 11.667 ( 3.553 -1.940 3.364) 5.264 11.763 ( -3.644 -8.386 -2.080) 9.378 11.804 ( -11.928 4.065 -4.371) 13.338 12.072 ( 2.863 -9.132 -5.378) 10.978 12.124 ( -1.128 -6.840 -4.013) 8.010 13.348 ( 7.401 1.311 2.924) 8.065 13.558 ( -11.498 -1.039 1.410) 11.630 13.917 ( 9.933 -4.680 -8.480) 13.873 14.110 ( -4.869 -2.871 -8.132) 9.904 14.465 ( 3.815 -4.422 -11.048) 12.496 14.630 ( -6.533 2.247 -13.107) 14.817 15.036 ( 4.694 -4.525 -8.524) 10.732 15.115 ( -0.679 -2.016 -9.190) 9.433 17.104 ( 1.344 -4.882 2.261) 5.545 17.213 ( -8.210 -5.342 3.415) 10.373 17.549 ( 9.738 -12.360 21.459) 26.610 17.692 ( -2.491 -16.785 18.624) 25.196 18.304 ( 1.054 9.274 -20.316) 22.358 18.338 ( -1.946 12.705 -20.353) 24.071 19.041 ( 12.161 4.934 -2.436) 13.349 19.294 ( -5.985 -5.766 -3.152) 8.888 19.376 ( -0.204 2.582 4.955) 5.591 19.541 ( -16.183 6.343 23.391) 29.142 20.184 ( 7.201 -11.235 15.345) 20.336 20.322 ( -4.852 -12.709 11.145) 17.586 21.144 ( 3.455 3.620 -1.744) 5.299 21.194 ( -1.327 4.454 2.004) 5.062 22.623 ( 18.091 -7.589 -18.696) 27.100 22.943 ( -10.114 -16.808 -17.329) 26.174 24.503 ( 4.338 0.251 4.599) 6.327 24.644 ( -8.411 0.878 1.274) 8.553 24.845 ( 1.524 -6.518 -0.814) 6.743 24.888 ( -2.443 -4.057 -1.514) 4.972 25.064 ( 3.176 3.669 -2.189) 5.324 25.120 ( -1.746 5.612 -1.300) 6.020 25.194 ( 8.787 1.442 -4.070) 9.791 25.354 ( -5.638 2.857 -6.164) 8.829 ======================= Grid point 63 (27/60) ======================= q-point: ( 0.00 0.38 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 1.94e-05 1.94e-05 1.94e-05 1.94e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.267 ( 0.000 7.987 0.977) 8.047 1.285 ( 0.000 10.759 8.768) 13.880 1.558 ( 0.000 5.922 8.544) 10.396 1.561 ( 0.000 3.238 -3.337) 4.650 1.759 ( 0.000 -0.471 -1.607) 1.674 1.809 ( 0.000 -1.721 0.790) 1.893 1.839 ( 0.000 1.009 -3.960) 4.087 1.856 ( 0.000 2.418 4.206) 4.851 1.924 ( 0.000 -1.320 0.673) 1.482 1.991 ( 0.000 1.969 8.545) 8.769 2.115 ( 0.000 -1.814 -1.530) 2.373 2.117 ( 0.000 -0.829 -2.223) 2.372 2.151 ( 0.000 -4.710 -1.076) 4.831 2.345 ( 0.000 -9.510 -0.498) 9.523 2.597 ( 0.000 7.139 -0.043) 7.139 2.766 ( 0.000 9.488 15.084) 17.819 2.823 ( 0.000 5.905 7.096) 9.232 2.865 ( 0.000 2.086 -2.224) 3.049 3.083 ( 0.000 -5.474 -2.032) 5.839 3.171 ( 0.000 -7.019 4.328) 8.246 3.230 ( 0.000 1.917 9.635) 9.824 3.319 ( 0.000 -2.237 8.848) 9.126 3.400 ( 0.000 -0.919 1.974) 2.177 3.494 ( 0.000 -2.241 10.449) 10.687 4.097 ( 0.000 4.601 8.115) 9.328 4.110 ( 0.000 6.243 -9.545) 11.406 4.135 ( 0.000 4.644 1.642) 4.926 4.140 ( 0.000 3.517 -8.042) 8.777 4.391 ( 0.000 -2.849 2.109) 3.544 4.439 ( 0.000 -1.251 8.363) 8.456 4.503 ( 0.000 -8.363 -7.484) 11.223 4.745 ( 0.000 -8.627 -7.441) 11.392 5.170 ( 0.000 5.345 3.238) 6.250 5.276 ( 0.000 -0.603 4.063) 4.108 5.347 ( 0.000 7.957 -0.601) 7.980 5.417 ( 0.000 3.802 2.806) 4.725 5.685 ( 0.000 0.856 0.710) 1.112 5.773 ( 0.000 -1.611 6.109) 6.317 5.821 ( 0.000 0.201 0.894) 0.916 5.901 ( 0.000 -1.680 -2.833) 3.294 6.509 ( 0.000 3.924 2.191) 4.494 6.571 ( 0.000 1.283 1.265) 1.802 6.638 ( 0.000 7.130 -2.491) 7.552 6.722 ( 0.000 0.817 -2.905) 3.018 6.830 ( 0.000 4.584 -0.593) 4.622 6.921 ( 0.000 -3.457 0.650) 3.518 7.012 ( 0.000 -3.898 7.034) 8.042 7.112 ( 0.000 9.582 2.973) 10.033 7.234 ( 0.000 -7.688 -1.762) 7.888 7.299 ( 0.000 4.769 9.425) 10.563 7.311 ( 0.000 6.739 2.634) 7.236 7.549 ( 0.000 -8.895 5.945) 10.699 7.595 ( 0.000 -0.436 1.178) 1.256 7.644 ( 0.000 -8.918 7.779) 11.834 7.918 ( 0.000 6.366 -3.703) 7.365 8.037 ( 0.000 8.457 -3.282) 9.071 8.408 ( 0.000 1.937 4.949) 5.314 8.780 ( 0.000 -7.199 -6.745) 9.865 9.039 ( 0.000 10.946 0.769) 10.973 9.122 ( 0.000 3.684 5.999) 7.040 9.135 ( 0.000 1.081 7.308) 7.388 9.572 ( 0.000 -11.534 -5.763) 12.894 9.906 ( 0.000 7.002 -11.570) 13.523 10.102 ( 0.000 6.513 -0.797) 6.562 10.149 ( 0.000 3.721 1.649) 4.070 10.206 ( 0.000 -6.961 3.089) 7.615 10.413 ( 0.000 0.022 3.289) 3.289 10.438 ( 0.000 1.763 2.106) 2.747 10.751 ( 0.000 11.439 5.660) 12.763 11.053 ( 0.000 5.029 2.418) 5.580 11.298 ( 0.000 -11.548 5.984) 13.006 11.548 ( 0.000 -15.103 -0.532) 15.112 11.648 ( 0.000 4.420 2.380) 5.020 11.860 ( 0.000 -4.541 -4.845) 6.640 11.992 ( 0.000 -3.700 -5.709) 6.803 11.994 ( 0.000 -5.631 0.265) 5.637 13.375 ( 0.000 7.353 1.958) 7.609 13.659 ( 0.000 -4.397 -1.680) 4.707 13.766 ( 0.000 1.321 -8.294) 8.399 14.023 ( 0.000 -6.047 -8.934) 10.788 14.433 ( 0.000 -2.609 -7.524) 7.963 14.566 ( 0.000 -5.160 -10.421) 11.629 15.027 ( 0.000 0.861 -11.370) 11.403 15.051 ( 0.000 0.406 -10.943) 10.950 17.071 ( 0.000 -0.401 3.142) 3.167 17.210 ( 0.000 -6.503 21.223) 22.197 17.266 ( 0.000 -2.847 2.588) 3.848 17.386 ( 0.000 -9.711 17.169) 19.725 18.465 ( 0.000 8.435 -18.322) 20.171 18.701 ( 0.000 16.298 -19.812) 25.654 18.862 ( 0.000 -8.526 -13.077) 15.611 19.271 ( 0.000 -7.997 -11.352) 13.886 19.482 ( 0.000 11.222 16.089) 19.617 19.756 ( 0.000 1.840 16.786) 16.886 19.886 ( 0.000 -7.358 17.304) 18.804 20.112 ( 0.000 -12.466 14.342) 19.002 21.231 ( 0.000 5.612 -2.963) 6.346 21.313 ( 0.000 2.776 1.687) 3.249 22.384 ( 0.000 1.263 -13.002) 13.063 22.684 ( 0.000 -13.930 -11.024) 17.764 24.456 ( 0.000 0.257 5.497) 5.503 24.591 ( 0.000 -7.274 2.690) 7.756 24.927 ( 0.000 1.510 -0.364) 1.553 24.929 ( 0.000 -0.324 -0.890) 0.947 24.987 ( 0.000 -0.025 -3.214) 3.214 25.025 ( 0.000 -0.717 -1.809) 1.946 25.273 ( 0.000 5.677 -1.851) 5.971 25.432 ( 0.000 -1.286 -4.445) 4.627 ======================= Grid point 64 (28/60) ======================= q-point: ( 0.33 0.38 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 1.94e-05 1.94e-05 1.94e-05 1.94e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.307 ( 3.809 9.009 -0.115) 9.782 1.333 ( 3.579 5.313 7.887) 10.160 1.485 ( -4.528 8.826 -0.857) 9.956 1.537 ( -5.747 7.038 7.948) 12.072 1.704 ( 0.346 2.607 3.864) 4.674 1.752 ( -0.833 -0.361 -0.295) 0.954 1.782 ( -1.493 -0.360 2.302) 2.768 1.824 ( -3.744 -2.546 0.056) 4.528 1.988 ( 2.697 -5.999 4.012) 7.705 2.056 ( -3.676 -5.074 2.635) 6.797 2.098 ( 3.325 0.110 -0.253) 3.336 2.129 ( -0.251 -1.717 0.713) 1.876 2.262 ( 11.822 4.051 -6.406) 14.043 2.454 ( 1.507 -1.092 -2.414) 3.049 2.552 ( 0.890 2.598 -2.044) 3.424 2.707 ( -6.485 0.879 0.249) 6.549 2.802 ( 0.416 5.910 10.954) 12.454 2.840 ( -2.657 3.875 8.290) 9.529 3.093 ( 1.131 -4.192 2.749) 5.139 3.138 ( -3.256 -4.427 6.863) 8.792 3.240 ( 4.026 0.722 1.754) 4.450 3.335 ( -3.867 0.433 3.800) 5.439 3.412 ( 4.142 -1.540 9.583) 10.553 3.481 ( -1.867 -2.005 11.113) 11.446 4.098 ( -0.172 4.664 -4.909) 6.773 4.108 ( -1.086 5.364 -7.157) 9.010 4.124 ( 1.563 5.182 1.619) 5.649 4.151 ( -0.418 3.354 1.059) 3.542 4.388 ( 0.554 -4.472 3.063) 5.449 4.412 ( -1.333 -4.418 6.209) 7.736 4.599 ( 6.136 -5.026 -6.041) 9.970 4.708 ( -3.573 -6.921 -6.744) 10.302 5.187 ( 2.067 4.928 2.950) 6.104 5.256 ( -3.132 2.673 3.046) 5.122 5.321 ( 0.140 3.666 1.070) 3.821 5.368 ( -3.443 2.560 2.232) 4.836 5.681 ( 0.236 0.262 -0.288) 0.455 5.704 ( -1.959 -0.511 2.149) 2.953 5.961 ( 7.359 1.351 3.558) 8.285 5.999 ( 5.090 -0.120 -0.617) 5.129 6.394 ( -5.343 0.873 0.289) 5.421 6.429 ( -8.649 1.740 -0.115) 8.823 6.690 ( 3.349 6.378 0.575) 7.227 6.740 ( -0.418 5.833 -0.128) 5.849 6.941 ( 5.803 1.337 -0.557) 5.981 6.963 ( 3.348 -1.648 -0.349) 3.748 7.035 ( 2.388 -2.026 6.020) 6.786 7.077 ( -2.261 6.517 4.111) 8.030 7.154 ( -5.181 -2.723 5.511) 8.040 7.173 ( -5.776 -4.217 -0.438) 7.165 7.453 ( 6.618 3.860 3.731) 8.522 7.565 ( -3.567 -2.792 2.399) 5.125 7.623 ( 5.425 -4.634 6.459) 9.625 7.688 ( 2.014 -1.804 9.298) 9.684 7.865 ( -0.971 5.282 -7.437) 9.174 7.966 ( -6.373 5.482 -5.353) 9.966 8.489 ( 6.146 2.164 4.488) 7.912 8.638 ( -8.119 0.132 -0.025) 8.121 9.087 ( 1.345 1.980 4.945) 5.494 9.110 ( -0.751 2.444 5.122) 5.725 9.314 ( 13.539 2.974 -1.632) 13.957 9.543 ( -5.160 -6.087 -6.847) 10.515 9.834 ( -2.566 3.055 -2.400) 4.656 9.910 ( -8.450 1.806 -1.913) 8.850 10.261 ( 3.734 -3.835 -0.703) 5.399 10.287 ( 3.680 2.922 0.231) 4.705 10.388 ( -1.094 0.768 2.473) 2.811 10.416 ( -2.079 3.152 1.794) 4.180 10.830 ( 6.473 10.355 5.999) 13.605 10.972 ( -6.045 7.046 4.348) 10.251 11.405 ( 7.331 -11.310 3.306) 13.877 11.524 ( -3.003 -13.799 0.268) 14.125 11.709 ( 5.532 3.659 1.221) 6.744 11.843 ( -4.247 -1.041 -1.660) 4.677 11.918 ( -1.578 -4.056 -5.020) 6.644 11.962 ( -3.301 -7.367 -2.366) 8.412 13.417 ( 4.345 4.716 0.533) 6.435 13.563 ( -8.871 1.107 -1.920) 9.143 13.809 ( 9.353 -5.093 -4.788) 11.677 14.059 ( -11.048 -1.862 -4.847) 12.208 14.353 ( 12.792 -4.970 -11.908) 18.170 14.671 ( -9.990 1.277 -14.729) 17.843 14.939 ( 6.417 -3.522 -7.290) 10.331 15.083 ( -3.244 -1.160 -10.472) 11.024 17.035 ( 0.334 -1.605 6.753) 6.949 17.121 ( -6.949 -2.973 7.537) 10.674 17.348 ( 6.420 -6.571 15.203) 17.762 17.424 ( -0.104 -8.465 14.525) 16.812 18.498 ( 3.199 8.406 -18.315) 20.404 18.599 ( -5.986 9.773 -18.424) 21.697 18.993 ( 8.710 -4.152 -13.657) 16.722 19.175 ( -7.742 -6.150 -11.893) 15.466 19.531 ( 4.594 9.621 17.493) 20.486 19.660 ( -6.688 4.602 18.727) 20.411 19.985 ( 6.289 -7.124 14.745) 17.542 20.087 ( -2.837 -9.732 14.494) 17.687 21.227 ( 0.673 3.512 -4.307) 5.598 21.273 ( -3.008 2.271 -1.243) 3.968 22.496 ( 8.314 -3.547 -11.348) 14.508 22.642 ( -4.402 -10.857 -10.627) 15.817 24.505 ( 4.593 0.316 4.294) 6.295 24.602 ( -1.256 -3.853 2.262) 4.641 24.750 ( -4.338 -2.180 0.530) 4.884 24.810 ( -6.939 -2.822 -0.788) 7.532 25.122 ( 6.917 1.641 -1.870) 7.351 25.200 ( 5.319 1.464 -1.332) 5.675 25.251 ( 0.640 3.959 -3.466) 5.300 25.377 ( -5.122 -0.528 -4.200) 6.645 ======================= Grid point 66 (29/60) ======================= q-point: ( 0.00 -0.50 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 1.94e-05 1.94e-05 1.94e-05 1.94e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 52 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.404 ( 0.000 -2.372 0.641) 2.457 1.404 ( 0.000 2.372 0.641) 2.457 1.653 ( 0.000 -4.159 1.311) 4.361 1.653 ( 0.000 4.159 1.311) 4.361 1.725 ( 0.000 -2.249 3.958) 4.552 1.725 ( 0.000 2.249 3.958) 4.552 1.808 ( 0.000 -0.774 -2.515) 2.631 1.808 ( 0.000 0.774 -2.515) 2.631 2.027 ( 0.000 -5.199 4.270) 6.728 2.027 ( 0.000 5.199 4.270) 6.728 2.092 ( 0.000 -1.330 -0.683) 1.495 2.092 ( 0.000 1.330 -0.683) 1.495 2.152 ( 0.000 -6.638 -1.674) 6.846 2.152 ( 0.000 6.638 -1.674) 6.846 2.781 ( 0.000 -8.839 -4.505) 9.921 2.781 ( 0.000 8.839 -4.505) 9.921 2.936 ( 0.000 -6.616 7.696) 10.149 2.936 ( 0.000 6.616 7.696) 10.149 2.998 ( 0.000 -9.056 5.279) 10.482 2.998 ( 0.000 9.056 5.279) 10.482 3.273 ( 0.000 -1.375 9.477) 9.576 3.273 ( 0.000 1.375 9.477) 9.576 3.435 ( 0.000 -2.868 8.601) 9.067 3.435 ( 0.000 2.868 8.601) 9.067 4.157 ( 0.000 -1.100 4.893) 5.015 4.157 ( 0.000 1.100 4.893) 5.015 4.207 ( 0.000 -0.062 -2.205) 2.206 4.207 ( 0.000 0.062 -2.205) 2.206 4.362 ( 0.000 -2.654 -5.297) 5.925 4.362 ( 0.000 2.654 -5.297) 5.925 4.543 ( 0.000 -9.055 -5.681) 10.689 4.543 ( 0.000 9.055 -5.681) 10.689 5.249 ( 0.000 -2.153 4.227) 4.743 5.249 ( 0.000 2.153 4.227) 4.743 5.455 ( 0.000 -1.058 1.484) 1.822 5.455 ( 0.000 1.058 1.484) 1.822 5.721 ( 0.000 -2.365 4.439) 5.030 5.721 ( 0.000 2.365 4.439) 5.030 5.851 ( 0.000 -2.509 -0.845) 2.647 5.851 ( 0.000 2.509 -0.845) 2.647 6.564 ( 0.000 -0.671 3.435) 3.500 6.564 ( 0.000 0.671 3.435) 3.500 6.735 ( 0.000 -0.890 -2.091) 2.273 6.735 ( 0.000 0.890 -2.091) 2.273 6.872 ( 0.000 -0.054 2.997) 2.998 6.872 ( 0.000 0.054 2.997) 2.998 7.041 ( 0.000 -7.785 -0.451) 7.798 7.041 ( 0.000 7.785 -0.451) 7.798 7.336 ( 0.000 -9.824 2.349) 10.101 7.336 ( 0.000 9.824 2.349) 10.101 7.405 ( 0.000 -1.488 10.796) 10.898 7.405 ( 0.000 1.488 10.796) 10.898 7.541 ( 0.000 -1.840 1.344) 2.279 7.541 ( 0.000 1.840 1.344) 2.279 8.071 ( 0.000 -5.087 -2.329) 5.595 8.071 ( 0.000 5.087 -2.329) 5.595 8.557 ( 0.000 -11.296 -1.481) 11.393 8.557 ( 0.000 11.296 -1.481) 11.393 9.154 ( 0.000 -0.037 6.547) 6.547 9.154 ( 0.000 0.037 6.547) 6.547 9.307 ( 0.000 -12.569 -2.066) 12.738 9.307 ( 0.000 12.569 -2.066) 12.738 10.048 ( 0.000 -6.121 -6.269) 8.761 10.048 ( 0.000 6.121 -6.269) 8.761 10.200 ( 0.000 -0.069 3.726) 3.726 10.200 ( 0.000 0.069 3.726) 3.726 10.425 ( 0.000 -1.293 -0.123) 1.299 10.425 ( 0.000 1.293 -0.123) 1.299 11.033 ( 0.000 -13.336 6.052) 14.645 11.033 ( 0.000 13.336 6.052) 14.645 11.234 ( 0.000 -12.652 0.645) 12.669 11.234 ( 0.000 12.652 0.645) 12.669 11.766 ( 0.000 -5.608 -0.217) 5.612 11.766 ( 0.000 5.608 -0.217) 5.612 11.929 ( 0.000 -0.791 -2.981) 3.084 11.929 ( 0.000 0.791 -2.981) 3.084 13.539 ( 0.000 -6.563 0.833) 6.616 13.539 ( 0.000 6.563 0.833) 6.616 13.860 ( 0.000 -4.978 -10.080) 11.242 13.860 ( 0.000 4.978 -10.080) 11.242 14.456 ( 0.000 -1.620 -6.953) 7.139 14.456 ( 0.000 1.620 -6.953) 7.139 15.050 ( 0.000 -0.144 -12.385) 12.385 15.050 ( 0.000 0.144 -12.385) 12.385 17.103 ( 0.000 -2.550 11.596) 11.873 17.103 ( 0.000 2.550 11.596) 11.873 17.261 ( 0.000 -1.782 10.123) 10.278 17.261 ( 0.000 1.782 10.123) 10.278 18.657 ( 0.000 -9.658 -15.319) 18.110 18.657 ( 0.000 9.658 -15.319) 18.110 19.028 ( 0.000 -13.939 -17.548) 22.411 19.028 ( 0.000 13.939 -17.548) 22.411 19.741 ( 0.000 -8.795 19.068) 20.999 19.741 ( 0.000 8.795 19.068) 20.999 19.853 ( 0.000 -9.041 13.074) 15.895 19.853 ( 0.000 9.041 13.074) 15.895 21.316 ( 0.000 -2.200 -1.904) 2.909 21.316 ( 0.000 2.200 -1.904) 2.909 22.465 ( 0.000 -6.783 -9.322) 11.528 22.465 ( 0.000 6.783 -9.322) 11.528 24.485 ( 0.000 -2.833 4.495) 5.313 24.485 ( 0.000 2.833 4.495) 5.313 24.926 ( 0.000 -0.011 -0.887) 0.887 24.926 ( 0.000 0.011 -0.887) 0.887 25.009 ( 0.000 -0.184 -1.752) 1.762 25.009 ( 0.000 0.184 -1.752) 1.762 25.375 ( 0.000 -3.811 -2.711) 4.677 25.375 ( 0.000 3.811 -2.711) 4.677 ======================= Grid point 68 (30/60) ======================= q-point: ( 0.33 -0.50 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 1.94e-05 1.94e-05 1.94e-05 1.94e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 76 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.389 ( 0.100 0.000 3.041) 3.043 1.408 ( -0.770 -0.000 -0.190) 0.793 1.612 ( -1.392 0.000 3.150) 3.444 1.620 ( -1.581 -0.000 1.654) 2.288 1.744 ( 0.367 -1.448 0.280) 1.520 1.744 ( 0.347 1.448 0.339) 1.527 1.800 ( 0.683 -0.000 -1.677) 1.811 1.810 ( -0.273 0.000 -0.438) 0.517 1.919 ( -3.556 0.000 7.477) 8.279 1.931 ( -4.075 0.000 6.408) 7.594 2.102 ( 0.582 -0.000 -0.794) 0.984 2.102 ( 0.586 0.000 -0.820) 1.008 2.357 ( 12.497 0.000 -1.529) 12.590 2.361 ( 11.982 -0.000 -4.576) 12.826 2.664 ( -8.281 0.000 -5.054) 9.702 2.686 ( -10.636 0.000 -5.442) 11.947 2.871 ( 1.041 -0.000 0.558) 1.181 2.916 ( -2.250 -0.000 2.844) 3.627 3.005 ( 1.649 0.000 13.942) 14.039 3.042 ( -1.437 0.000 17.488) 17.547 3.272 ( 4.345 0.000 -0.151) 4.348 3.364 ( -2.554 -0.000 5.666) 6.215 3.389 ( 3.134 0.000 10.527) 10.983 3.448 ( -1.143 0.000 11.622) 11.678 4.148 ( 0.531 0.000 4.577) 4.607 4.166 ( -0.863 0.000 2.749) 2.881 4.199 ( 1.015 0.000 -2.383) 2.590 4.220 ( -0.647 0.000 -2.187) 2.280 4.325 ( -0.234 -0.000 -7.112) 7.116 4.350 ( -2.040 -0.000 -0.925) 2.240 4.567 ( 2.465 0.000 -7.591) 7.981 4.586 ( 1.147 -0.000 -3.019) 3.229 5.247 ( 0.845 0.000 4.020) 4.108 5.263 ( 0.129 0.000 4.430) 4.432 5.380 ( -2.577 0.000 1.769) 3.125 5.408 ( -4.367 0.000 2.125) 4.857 5.682 ( -0.087 -0.000 -0.402) 0.412 5.698 ( -1.486 -0.000 1.650) 2.221 5.975 ( 7.776 0.000 4.565) 9.017 5.992 ( 7.018 0.000 0.144) 7.019 6.401 ( -6.075 0.000 2.327) 6.505 6.447 ( -10.226 0.000 0.336) 10.231 6.774 ( 4.983 0.000 3.694) 6.202 6.817 ( 1.600 0.000 0.939) 1.855 6.924 ( 5.742 -0.000 0.938) 5.819 6.976 ( 4.187 0.000 0.445) 4.211 6.991 ( -1.901 -0.000 -0.772) 2.052 7.021 ( -2.662 0.000 1.650) 3.132 7.188 ( -5.085 0.000 3.705) 6.292 7.205 ( -7.983 0.000 7.378) 10.870 7.466 ( 2.242 -0.000 0.966) 2.441 7.472 ( 0.512 0.000 4.849) 4.876 7.647 ( 7.342 0.000 6.689) 9.932 7.649 ( 7.078 -0.000 5.693) 9.083 7.970 ( -4.846 0.000 -4.948) 6.925 8.008 ( -6.635 -0.000 -4.487) 8.010 8.566 ( 1.264 0.000 -2.767) 3.042 8.578 ( 0.413 -0.000 0.968) 1.053 9.106 ( 0.696 0.000 9.654) 9.679 9.161 ( -3.459 0.000 11.255) 11.775 9.371 ( 7.399 0.000 -9.403) 11.966 9.410 ( 3.963 -0.000 -5.580) 6.844 9.880 ( -5.333 -0.000 1.636) 5.578 9.941 ( -10.621 -0.000 3.798) 11.280 10.210 ( 6.215 0.000 -5.023) 7.991 10.311 ( -2.224 0.000 -3.325) 4.000 10.404 ( 2.430 0.000 0.540) 2.489 10.445 ( -0.637 0.000 -0.343) 0.723 11.085 ( 3.737 -0.000 6.810) 7.768 11.100 ( 3.447 0.000 4.848) 5.948 11.215 ( 0.482 -0.000 2.572) 2.617 11.250 ( -0.894 0.000 0.579) 1.065 11.772 ( 2.159 0.000 -0.147) 2.164 11.804 ( 2.262 -0.000 -0.616) 2.344 11.866 ( -4.361 0.000 -3.152) 5.381 11.886 ( -3.628 -0.000 -2.895) 4.642 13.489 ( 0.821 0.000 -1.536) 1.742 13.580 ( -7.352 0.000 -3.843) 8.296 13.739 ( 10.661 0.000 -1.645) 10.787 14.037 ( -15.066 0.000 -2.774) 15.320 14.294 ( 18.929 0.000 -13.132) 23.038 14.683 ( -9.417 0.000 -14.226) 17.060 14.903 ( 5.228 0.000 -7.751) 9.350 15.070 ( -4.719 0.000 -10.628) 11.628 17.023 ( -0.366 0.000 9.597) 9.604 17.090 ( -5.681 0.000 9.921) 11.432 17.276 ( 5.210 0.000 11.629) 12.742 17.333 ( 0.489 0.000 11.709) 11.719 18.640 ( -0.426 -0.000 -15.153) 15.159 18.649 ( -0.982 0.000 -14.047) 14.082 19.027 ( 0.226 -0.000 -18.569) 18.571 19.031 ( -0.029 0.000 -17.583) 17.583 19.676 ( -0.396 -0.000 17.882) 17.886 19.718 ( -3.740 0.000 16.060) 16.490 19.906 ( 5.007 0.000 17.535) 18.236 19.940 ( 2.074 0.000 15.025) 15.168 21.275 ( -1.658 -0.000 -4.824) 5.101 21.287 ( -2.350 0.000 -3.994) 4.634 22.485 ( 1.928 0.000 -8.193) 8.417 22.499 ( 1.072 -0.000 -8.026) 8.097 24.520 ( 3.626 -0.000 3.707) 5.186 24.541 ( 3.582 0.000 3.080) 4.724 24.729 ( -6.525 -0.000 0.514) 6.545 24.780 ( -9.273 0.000 -0.175) 9.275 25.138 ( 8.842 0.000 -1.747) 9.013 25.214 ( 6.812 0.000 -1.227) 6.922 25.309 ( -3.948 0.000 -3.464) 5.252 25.355 ( -3.178 0.000 -2.850) 4.269 ======================= Grid point 81 (31/60) ======================= q-point: ( 0.00 0.00 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 1.94e-05 1.94e-05 1.94e-05 1.94e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 50 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.253 ( 0.000 0.000 17.273) 17.273 1.328 ( 0.000 0.000 6.285) 6.285 1.423 ( 0.000 0.000 16.096) 16.096 1.449 ( 0.000 0.000 2.200) 2.200 1.666 ( 0.000 0.000 5.953) 5.953 1.760 ( 0.000 0.000 1.085) 1.085 1.761 ( 0.000 0.000 -0.474) 0.474 1.800 ( 0.000 0.000 -0.949) 0.949 2.034 ( 0.000 0.000 -2.407) 2.407 2.111 ( 0.000 0.000 11.815) 11.815 2.170 ( 0.000 0.000 -1.957) 1.957 2.267 ( 0.000 0.000 0.109) 0.109 2.334 ( 0.000 0.000 -2.098) 2.098 2.359 ( 0.000 0.000 -3.125) 3.125 2.566 ( 0.000 0.000 15.695) 15.695 2.674 ( 0.000 0.000 -5.211) 5.211 2.850 ( 0.000 0.000 19.876) 19.876 2.853 ( 0.000 0.000 -12.511) 12.511 2.918 ( 0.000 0.000 -10.146) 10.146 2.947 ( 0.000 0.000 0.376) 0.376 3.523 ( 0.000 0.000 5.527) 5.527 3.554 ( 0.000 0.000 -1.444) 1.444 3.785 ( 0.000 0.000 0.976) 0.976 3.806 ( 0.000 0.000 7.652) 7.652 3.829 ( 0.000 0.000 4.880) 4.880 3.882 ( 0.000 0.000 18.236) 18.236 3.907 ( 0.000 0.000 20.571) 20.571 4.019 ( 0.000 0.000 10.361) 10.361 4.764 ( 0.000 0.000 -3.334) 3.334 4.788 ( 0.000 0.000 5.823) 5.823 4.829 ( 0.000 0.000 -2.337) 2.337 4.969 ( 0.000 0.000 0.688) 0.688 4.985 ( 0.000 0.000 5.167) 5.167 5.089 ( 0.000 0.000 -1.986) 1.986 5.104 ( 0.000 0.000 -3.522) 3.522 5.275 ( 0.000 0.000 -3.152) 3.152 5.598 ( 0.000 0.000 -10.317) 10.317 5.674 ( 0.000 0.000 2.299) 2.299 5.792 ( 0.000 0.000 -2.134) 2.134 5.864 ( 0.000 0.000 -3.034) 3.034 5.967 ( 0.000 0.000 -1.631) 1.631 6.037 ( 0.000 0.000 2.833) 2.833 6.291 ( 0.000 0.000 -10.425) 10.425 6.587 ( 0.000 0.000 -13.627) 13.627 6.683 ( 0.000 0.000 6.805) 6.805 6.700 ( 0.000 0.000 5.503) 5.503 7.020 ( 0.000 0.000 2.978) 2.978 7.110 ( 0.000 0.000 5.484) 5.484 7.190 ( 0.000 0.000 8.771) 8.771 7.268 ( 0.000 0.000 -8.191) 8.191 7.308 ( 0.000 0.000 -8.821) 8.821 7.721 ( 0.000 0.000 18.429) 18.429 7.805 ( 0.000 0.000 13.111) 13.111 7.957 ( 0.000 0.000 -9.205) 9.205 8.149 ( 0.000 0.000 2.536) 2.536 8.180 ( 0.000 0.000 2.711) 2.711 8.550 ( 0.000 0.000 -7.365) 7.365 8.551 ( 0.000 0.000 3.836) 3.836 8.582 ( 0.000 0.000 -5.564) 5.564 8.984 ( 0.000 0.000 -5.504) 5.504 9.010 ( 0.000 0.000 -2.992) 2.992 9.062 ( 0.000 0.000 -4.806) 4.806 9.775 ( 0.000 0.000 -5.158) 5.158 9.874 ( 0.000 0.000 3.812) 3.812 10.004 ( 0.000 0.000 -13.505) 13.505 10.094 ( 0.000 0.000 -2.914) 2.914 10.445 ( 0.000 0.000 8.685) 8.685 10.728 ( 0.000 0.000 4.700) 4.700 10.746 ( 0.000 0.000 6.857) 6.857 11.337 ( 0.000 0.000 -5.412) 5.412 11.678 ( 0.000 0.000 5.382) 5.382 11.722 ( 0.000 0.000 0.199) 0.199 11.803 ( 0.000 0.000 4.657) 4.657 11.944 ( 0.000 0.000 -4.225) 4.225 11.949 ( 0.000 0.000 -0.798) 0.798 12.194 ( 0.000 0.000 -5.817) 5.817 13.354 ( 0.000 0.000 7.475) 7.475 13.713 ( 0.000 0.000 -5.370) 5.370 13.889 ( 0.000 0.000 -11.384) 11.384 14.093 ( 0.000 0.000 -10.273) 10.273 14.156 ( 0.000 0.000 12.188) 12.188 14.577 ( 0.000 0.000 -7.959) 7.959 14.831 ( 0.000 0.000 -11.973) 11.973 15.093 ( 0.000 0.000 -10.628) 10.628 17.139 ( 0.000 0.000 -3.882) 3.882 17.383 ( 0.000 0.000 -8.341) 8.341 17.586 ( 0.000 0.000 -18.111) 18.111 17.751 ( 0.000 0.000 -17.339) 17.339 18.401 ( 0.000 0.000 7.399) 7.399 18.586 ( 0.000 0.000 32.746) 32.746 18.643 ( 0.000 0.000 6.545) 6.545 19.317 ( 0.000 0.000 -5.699) 5.699 19.462 ( 0.000 0.000 5.310) 5.310 20.683 ( 0.000 0.000 1.849) 1.849 20.689 ( 0.000 0.000 8.499) 8.499 20.970 ( 0.000 0.000 -8.013) 8.013 21.076 ( 0.000 0.000 13.775) 13.775 21.222 ( 0.000 0.000 1.506) 1.506 21.543 ( 0.000 0.000 -4.847) 4.847 23.071 ( 0.000 0.000 -34.101) 34.101 24.448 ( 0.000 0.000 6.475) 6.475 24.674 ( 0.000 0.000 5.989) 5.989 24.856 ( 0.000 0.000 -1.789) 1.789 24.879 ( 0.000 0.000 -1.808) 1.808 24.907 ( 0.000 0.000 -3.145) 3.145 25.030 ( 0.000 0.000 -4.396) 4.396 25.080 ( 0.000 0.000 -0.836) 0.836 25.165 ( 0.000 0.000 -6.338) 6.338 ======================= Grid point 82 (32/60) ======================= q-point: ( 0.33 0.00 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 1.94e-05 1.94e-05 1.94e-05 1.94e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 75 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.212 ( -2.605 0.000 12.758) 13.021 1.274 ( -6.742 0.000 19.821) 20.937 1.341 ( 7.776 0.000 15.269) 17.135 1.540 ( -9.687 0.000 11.146) 14.767 1.731 ( 12.867 0.000 -3.743) 13.400 1.751 ( 0.341 0.000 -1.196) 1.244 1.764 ( -0.591 0.000 -0.654) 0.882 1.852 ( 1.887 0.000 -4.765) 5.125 2.055 ( 1.818 0.000 -1.456) 2.329 2.098 ( -1.706 0.000 2.876) 3.344 2.130 ( -2.530 0.000 -0.577) 2.595 2.174 ( -7.394 0.000 0.170) 7.396 2.369 ( 7.836 0.000 8.203) 11.344 2.493 ( 6.173 0.000 -3.406) 7.050 2.516 ( -4.896 0.000 13.242) 14.118 2.612 ( -4.889 0.000 -4.144) 6.409 2.854 ( 0.390 0.000 -9.981) 9.989 2.884 ( -2.313 0.000 -9.671) 9.944 2.890 ( 2.961 0.000 13.746) 14.061 2.941 ( -1.259 0.000 4.925) 5.083 3.558 ( 3.510 0.000 6.677) 7.544 3.597 ( 4.027 0.000 -0.609) 4.073 3.669 ( -6.613 0.000 8.071) 10.434 3.706 ( -5.500 0.000 1.268) 5.644 3.914 ( 1.232 0.000 17.897) 17.940 3.918 ( 0.642 0.000 18.257) 18.269 3.939 ( 4.278 0.000 5.049) 6.618 4.001 ( -1.757 0.000 7.938) 8.131 4.774 ( 1.049 0.000 -2.868) 3.053 4.806 ( -1.722 0.000 -2.437) 2.984 4.822 ( 2.857 0.000 6.042) 6.683 4.894 ( -3.753 0.000 5.139) 6.363 5.047 ( 2.565 0.000 0.217) 2.574 5.088 ( -1.385 0.000 -2.309) 2.693 5.145 ( 4.415 0.000 -2.181) 4.924 5.236 ( -3.479 0.000 -2.747) 4.432 5.638 ( 3.423 0.000 -7.090) 7.873 5.692 ( 0.016 0.000 -0.179) 0.180 5.830 ( 3.824 0.000 -1.757) 4.208 5.836 ( -0.417 0.000 -3.124) 3.151 5.901 ( -4.876 0.000 -1.981) 5.263 5.948 ( -6.485 0.000 0.479) 6.503 6.375 ( 6.750 0.000 -10.152) 12.191 6.524 ( -5.903 0.000 -11.911) 13.294 6.747 ( 5.911 0.000 6.188) 8.558 6.814 ( 5.792 0.000 8.906) 10.624 6.996 ( -3.851 0.000 4.564) 5.971 7.028 ( 1.415 0.000 -0.863) 1.657 7.099 ( -5.653 0.000 -6.551) 8.653 7.127 ( -8.452 0.000 7.099) 11.038 7.593 ( 15.459 0.000 -7.417) 17.146 7.710 ( 1.572 0.000 16.267) 16.343 7.771 ( -2.884 0.000 13.854) 14.151 7.885 ( -10.084 0.000 -7.761) 12.724 8.191 ( 7.293 0.000 2.155) 7.605 8.364 ( 13.741 0.000 1.984) 13.884 8.392 ( -9.624 0.000 1.067) 9.683 8.591 ( 0.739 0.000 -6.775) 6.815 8.598 ( 0.368 0.000 -5.966) 5.977 8.677 ( -15.143 0.000 -1.398) 15.207 9.220 ( 13.014 0.000 -3.365) 13.442 9.309 ( 14.397 0.000 -5.346) 15.357 9.550 ( -17.280 0.000 -2.868) 17.516 9.599 ( -12.577 0.000 -5.180) 13.602 10.223 ( 8.203 0.000 -3.359) 8.864 10.308 ( 15.571 0.000 -4.940) 16.336 10.375 ( -5.768 0.000 1.121) 5.876 10.596 ( -11.007 0.000 0.157) 11.008 10.914 ( 15.123 0.000 15.152) 21.407 11.337 ( -22.623 0.000 14.607) 26.928 11.440 ( 8.139 0.000 -1.474) 8.271 11.620 ( -7.744 0.000 1.299) 7.852 11.857 ( 3.493 0.000 1.955) 4.003 11.924 ( -2.395 0.000 0.035) 2.395 12.068 ( 6.447 0.000 -7.522) 9.907 12.173 ( -2.966 0.000 -7.183) 7.771 13.452 ( 8.738 0.000 5.729) 10.449 13.690 ( -12.653 0.000 0.120) 12.654 13.837 ( 9.439 0.000 -8.427) 12.653 14.021 ( -6.652 0.000 -10.530) 12.455 14.328 ( 10.333 0.000 0.185) 10.335 14.510 ( -6.190 0.000 -6.085) 8.681 14.896 ( 5.612 0.000 -11.338) 12.651 15.027 ( -5.613 0.000 -10.749) 12.126 17.188 ( 4.387 0.000 -3.760) 5.778 17.305 ( -5.918 0.000 -5.432) 8.033 17.622 ( 3.254 0.000 -17.591) 17.889 17.704 ( -3.796 0.000 -17.111) 17.527 18.464 ( 5.304 0.000 6.867) 8.676 18.584 ( -5.060 0.000 6.549) 8.276 18.877 ( 25.095 0.000 22.226) 33.523 19.290 ( -5.095 0.000 -7.077) 8.720 19.474 ( 2.369 0.000 10.094) 10.369 19.870 ( -42.200 0.000 25.175) 49.139 20.744 ( 4.861 0.000 6.643) 8.232 20.871 ( -6.462 0.000 1.634) 6.665 21.143 ( 3.693 0.000 5.108) 6.303 21.203 ( -1.842 0.000 2.223) 2.887 22.278 ( 38.512 0.000 -24.100) 45.431 22.881 ( -18.263 0.000 -32.635) 37.398 24.490 ( 3.804 0.000 6.163) 7.242 24.594 ( -5.498 0.000 5.609) 7.854 24.888 ( 1.957 0.000 -2.228) 2.965 24.909 ( -0.114 0.000 -2.887) 2.889 24.953 ( 4.966 0.000 -1.031) 5.072 25.044 ( -3.246 0.000 -0.856) 3.357 25.053 ( 2.477 0.000 -4.965) 5.549 25.125 ( -3.409 0.000 -5.964) 6.869 ======================= Grid point 84 (33/60) ======================= q-point: ( 0.00 0.12 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 1.94e-05 1.94e-05 1.94e-05 1.94e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.281 ( 0.000 1.900 15.757) 15.872 1.321 ( 0.000 -0.667 13.059) 13.076 1.418 ( 0.000 0.909 7.360) 7.416 1.470 ( 0.000 2.595 0.209) 2.603 1.712 ( 0.000 2.705 2.358) 3.588 1.716 ( 0.000 -2.674 3.237) 4.199 1.785 ( 0.000 2.713 3.358) 4.317 1.809 ( 0.000 0.313 -1.829) 1.856 2.031 ( 0.000 -0.547 -3.465) 3.508 2.129 ( 0.000 -4.591 -0.849) 4.669 2.133 ( 0.000 1.325 10.417) 10.501 2.219 ( 0.000 -2.286 0.929) 2.467 2.336 ( 0.000 0.967 -0.866) 1.298 2.422 ( 0.000 3.918 -4.934) 6.301 2.609 ( 0.000 2.554 14.995) 15.211 2.663 ( 0.000 -0.837 -5.277) 5.343 2.871 ( 0.000 -0.447 6.845) 6.859 2.905 ( 0.000 4.497 -14.959) 15.620 2.916 ( 0.000 0.003 14.511) 14.511 2.953 ( 0.000 3.353 -8.197) 8.856 3.489 ( 0.000 -2.715 6.333) 6.891 3.551 ( 0.000 -0.447 0.265) 0.520 3.704 ( 0.000 -4.418 7.977) 9.118 3.754 ( 0.000 -0.616 1.135) 1.291 3.758 ( 0.000 -7.304 17.601) 19.056 3.899 ( 0.000 3.770 1.666) 4.121 4.040 ( 0.000 7.347 15.114) 16.805 4.133 ( 0.000 5.971 13.601) 14.854 4.727 ( 0.000 -4.655 6.070) 7.649 4.737 ( 0.000 -3.742 -4.998) 6.244 4.817 ( 0.000 -1.800 -3.877) 4.274 4.884 ( 0.000 -7.013 7.032) 9.932 4.999 ( 0.000 3.442 -0.226) 3.450 5.054 ( 0.000 -1.616 -1.809) 2.426 5.159 ( 0.000 5.056 -1.445) 5.259 5.327 ( 0.000 3.211 -2.098) 3.836 5.573 ( 0.000 -0.603 -6.574) 6.601 5.715 ( 0.000 3.802 2.277) 4.432 5.860 ( 0.000 1.128 -1.177) 1.630 5.955 ( 0.000 -0.732 -0.393) 0.831 5.963 ( 0.000 12.297 -5.623) 13.522 6.153 ( 0.000 9.234 -0.042) 9.234 6.343 ( 0.000 4.046 -8.593) 9.498 6.579 ( 0.000 1.286 -9.353) 9.441 6.730 ( 0.000 2.277 5.190) 5.668 6.801 ( 0.000 8.185 2.445) 8.543 7.021 ( 0.000 0.905 4.763) 4.849 7.164 ( 0.000 -1.603 3.070) 3.464 7.173 ( 0.000 5.237 3.468) 6.281 7.287 ( 0.000 -2.015 -5.046) 5.433 7.308 ( 0.000 1.946 -5.841) 6.156 7.698 ( 0.000 -3.026 12.971) 13.319 7.764 ( 0.000 -0.545 14.219) 14.230 7.872 ( 0.000 -5.824 -4.763) 7.524 8.078 ( 0.000 -6.343 2.424) 6.790 8.203 ( 0.000 -2.203 3.556) 4.183 8.529 ( 0.000 1.318 -0.711) 1.497 8.540 ( 0.000 -3.583 -4.527) 5.774 8.629 ( 0.000 6.420 -5.919) 8.732 8.936 ( 0.000 1.864 -1.179) 2.205 9.048 ( 0.000 4.438 -5.604) 7.149 9.295 ( 0.000 12.634 -6.268) 14.103 9.840 ( 0.000 -3.097 3.379) 4.583 9.869 ( 0.000 6.952 -6.709) 9.661 10.022 ( 0.000 3.333 -10.941) 11.438 10.062 ( 0.000 -2.648 -2.013) 3.326 10.452 ( 0.000 0.493 7.771) 7.787 10.662 ( 0.000 -5.544 5.094) 7.529 10.814 ( 0.000 5.716 6.341) 8.537 11.211 ( 0.000 -9.016 6.106) 10.889 11.702 ( 0.000 -1.752 0.954) 1.995 11.762 ( 0.000 -3.905 5.259) 6.550 11.770 ( 0.000 6.020 -4.082) 7.273 11.874 ( 0.000 -3.898 -0.353) 3.914 12.021 ( 0.000 2.838 -3.863) 4.794 12.134 ( 0.000 -5.303 -4.593) 7.015 13.352 ( 0.000 -0.145 7.200) 7.201 13.698 ( 0.000 -1.310 -5.037) 5.205 13.889 ( 0.000 0.055 -11.217) 11.217 13.956 ( 0.000 -8.193 2.428) 8.545 14.247 ( 0.000 4.489 -3.409) 5.637 14.533 ( 0.000 -4.130 -7.637) 8.682 14.820 ( 0.000 -0.720 -12.486) 12.507 15.043 ( 0.000 -4.684 -10.757) 11.733 17.117 ( 0.000 -1.697 -2.493) 3.016 17.343 ( 0.000 -2.358 -6.721) 7.123 17.705 ( 0.000 9.462 -18.732) 20.986 17.788 ( 0.000 3.882 -17.957) 18.372 18.225 ( 0.000 -14.734 17.923) 23.202 18.319 ( 0.000 -14.256 15.348) 20.947 18.824 ( 0.000 4.846 6.265) 7.920 19.309 ( 0.000 -1.716 -7.926) 8.110 19.475 ( 0.000 2.717 12.098) 12.399 20.595 ( 0.000 -8.551 8.596) 12.125 20.624 ( 0.000 -23.396 8.392) 24.855 20.705 ( 0.000 1.351 7.555) 7.675 21.041 ( 0.000 -2.083 10.296) 10.504 21.196 ( 0.000 3.671 6.084) 7.106 21.809 ( 0.000 12.185 -19.035) 22.601 22.937 ( 0.000 -11.178 -29.874) 31.897 24.531 ( 0.000 5.235 5.170) 7.358 24.688 ( 0.000 2.474 4.137) 4.820 24.870 ( 0.000 0.408 -0.999) 1.080 24.886 ( 0.000 -0.378 -1.934) 1.970 24.956 ( 0.000 3.465 -2.981) 4.571 25.021 ( 0.000 -0.116 -4.064) 4.066 25.058 ( 0.000 -2.478 -2.142) 3.276 25.190 ( 0.000 3.613 -5.942) 6.955 ======================= Grid point 85 (34/60) ======================= q-point: ( 0.33 0.12 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 1.94e-05 1.94e-05 1.94e-05 1.94e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.204 ( -2.981 0.543 12.843) 13.196 1.246 ( -6.289 0.013 15.888) 17.087 1.403 ( 7.411 3.449 14.259) 16.436 1.571 ( -5.550 1.501 7.768) 9.664 1.749 ( 1.796 -0.391 -0.441) 1.890 1.753 ( -0.152 0.479 -0.128) 0.519 1.780 ( 6.538 3.477 -1.622) 7.580 1.830 ( 2.066 -1.697 -3.045) 4.052 2.044 ( 1.044 -1.037 -2.224) 2.667 2.076 ( -1.836 -1.538 0.106) 2.397 2.128 ( -1.192 -0.320 1.558) 1.988 2.193 ( -6.603 2.390 0.299) 7.029 2.338 ( 6.652 -2.472 5.819) 9.178 2.467 ( -2.536 -2.065 4.479) 5.546 2.588 ( 1.641 4.520 2.048) 5.227 2.647 ( -1.957 2.038 -1.522) 3.209 2.888 ( 0.257 2.668 -5.637) 6.242 2.902 ( 1.981 0.443 4.758) 5.173 2.919 ( -2.398 3.267 -8.256) 9.197 2.935 ( -0.251 0.845 8.781) 8.825 3.516 ( 2.964 -3.135 7.817) 8.928 3.574 ( 0.472 -1.992 5.493) 5.862 3.659 ( -2.494 -0.867 4.011) 4.802 3.693 ( -2.645 -2.259 4.946) 6.046 3.817 ( 2.617 -3.388 10.221) 11.081 3.870 ( -2.239 0.704 4.601) 5.165 4.076 ( 2.605 6.708 13.124) 14.967 4.121 ( -1.344 6.355 12.796) 14.350 4.723 ( 0.732 -4.252 0.795) 4.387 4.753 ( -1.219 -4.616 -1.145) 4.909 4.811 ( 2.263 -2.331 1.754) 3.692 4.874 ( -2.164 -4.112 4.020) 6.145 5.010 ( 1.126 1.075 -0.515) 1.639 5.038 ( -1.312 -1.270 -1.445) 2.329 5.204 ( 3.827 4.007 -1.934) 5.869 5.289 ( -3.396 3.255 -2.089) 5.147 5.624 ( 4.262 -0.162 -3.954) 5.816 5.710 ( -2.255 1.606 0.487) 2.811 5.855 ( 1.049 2.153 -1.531) 2.842 5.903 ( -1.875 3.543 -1.945) 4.455 5.998 ( 1.190 10.347 -4.073) 11.183 6.075 ( -5.441 9.943 -1.992) 11.508 6.402 ( 5.460 2.315 -7.615) 9.652 6.527 ( -4.900 0.884 -8.599) 9.937 6.821 ( 4.714 5.129 2.860) 7.531 6.854 ( 5.025 4.025 6.319) 9.021 6.987 ( -2.047 0.783 3.898) 4.472 7.070 ( -6.474 1.070 1.441) 6.718 7.135 ( 0.087 5.200 -4.130) 6.641 7.209 ( -3.097 5.257 2.506) 6.596 7.544 ( 10.629 -2.759 -5.853) 12.443 7.675 ( 1.533 -5.392 12.747) 13.925 7.709 ( -3.693 -2.532 11.018) 11.893 7.829 ( -6.930 -5.099 -3.339) 9.229 8.109 ( 6.219 -6.517 4.687) 10.154 8.263 ( -2.543 -8.469 5.885) 10.622 8.445 ( 0.790 4.619 -3.030) 5.580 8.521 ( -2.440 -1.886 -3.165) 4.419 8.696 ( 4.372 7.677 -7.083) 11.324 8.835 ( -8.270 9.182 -5.494) 13.524 9.187 ( 13.784 0.543 -2.030) 13.943 9.453 ( 9.558 8.598 -4.577) 13.646 9.539 ( -15.697 1.251 -4.059) 16.261 9.706 ( -11.331 6.550 -4.869) 13.964 10.196 ( 8.091 -1.214 -3.406) 8.862 10.249 ( 7.790 -2.895 -2.455) 8.666 10.425 ( 0.213 2.095 0.702) 2.220 10.565 ( -7.991 -2.804 1.766) 8.650 10.945 ( 11.458 2.436 13.212) 17.657 11.188 ( -6.187 -8.805 13.267) 17.083 11.576 ( -6.959 7.631 -0.558) 10.343 11.608 ( -5.980 -0.359 0.909) 6.059 11.818 ( 3.017 -3.507 2.526) 5.271 11.869 ( -1.526 -4.318 0.230) 4.585 12.084 ( 3.394 -0.152 -5.979) 6.877 12.135 ( -0.992 -3.542 -5.650) 6.742 13.443 ( 8.059 -0.817 5.719) 9.916 13.664 ( -11.945 -2.355 1.394) 12.255 13.818 ( 9.062 -1.694 -8.119) 12.285 13.992 ( -5.049 -2.214 -9.427) 10.920 14.324 ( 7.676 -0.560 -3.396) 8.412 14.480 ( -5.504 -2.447 -6.418) 8.802 14.878 ( 5.134 -1.640 -11.920) 13.082 14.992 ( -4.534 -3.225 -11.262) 12.561 17.161 ( 4.006 -2.177 -2.222) 5.072 17.270 ( -5.571 -2.525 -3.833) 7.218 17.718 ( 1.322 8.088 -18.377) 20.121 17.758 ( -2.211 5.217 -17.771) 18.652 18.291 ( 4.571 -14.695 12.914) 20.090 18.350 ( 0.195 -15.714 12.937) 20.355 18.974 ( 14.474 2.146 3.162) 14.970 19.249 ( -6.877 -4.124 -8.852) 11.944 19.522 ( 6.306 5.746 18.046) 19.961 19.927 ( -33.828 4.454 25.186) 42.409 20.653 ( 4.915 -8.313 7.656) 12.324 20.768 ( -4.644 -8.957 5.248) 11.373 21.122 ( 4.548 -1.250 4.235) 6.339 21.193 ( -1.846 0.908 4.603) 5.042 22.274 ( 29.927 -0.887 -23.992) 38.367 22.773 ( -15.701 -8.979 -29.004) 34.182 24.555 ( 2.383 4.162 5.129) 7.022 24.629 ( -4.126 2.784 4.485) 6.700 24.913 ( 2.344 0.557 -1.805) 3.010 24.928 ( 3.555 -0.955 -1.706) 4.058 24.949 ( -0.925 0.945 -2.258) 2.617 24.991 ( -2.147 -0.101 -2.776) 3.511 25.090 ( 2.445 0.886 -4.126) 4.877 25.154 ( -3.022 3.437 -5.582) 7.218 ======================= Grid point 87 (35/60) ======================= q-point: ( 0.00 0.25 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 1.94e-05 1.94e-05 1.94e-05 1.94e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.307 ( 0.000 0.826 11.462) 11.492 1.345 ( 0.000 3.664 13.559) 14.045 1.457 ( 0.000 2.314 1.753) 2.903 1.561 ( 0.000 4.656 -3.103) 5.595 1.689 ( 0.000 1.055 4.434) 4.558 1.736 ( 0.000 -0.335 -1.749) 1.780 1.814 ( 0.000 -0.022 -3.245) 3.245 1.876 ( 0.000 4.121 4.777) 6.309 2.017 ( 0.000 -0.030 -2.909) 2.909 2.025 ( 0.000 -3.150 2.750) 4.182 2.138 ( 0.000 -0.827 8.193) 8.235 2.168 ( 0.000 -2.671 1.917) 3.288 2.402 ( 0.000 4.929 1.557) 5.169 2.443 ( 0.000 -2.924 -5.088) 5.868 2.584 ( 0.000 -5.604 13.299) 14.432 2.680 ( 0.000 2.721 -7.205) 7.702 2.861 ( 0.000 1.988 2.889) 3.507 2.968 ( 0.000 2.562 17.867) 18.050 3.018 ( 0.000 3.639 -8.084) 8.865 3.049 ( 0.000 6.982 -12.364) 14.199 3.414 ( 0.000 -4.424 7.406) 8.627 3.541 ( 0.000 -0.049 5.203) 5.203 3.598 ( 0.000 -4.996 11.325) 12.378 3.680 ( 0.000 -0.768 8.511) 8.545 3.776 ( 0.000 2.876 -5.052) 5.814 3.955 ( 0.000 1.541 -1.159) 1.928 4.150 ( 0.000 2.601 10.986) 11.290 4.238 ( 0.000 4.453 16.168) 16.770 4.575 ( 0.000 -10.830 -8.668) 13.872 4.621 ( 0.000 -4.890 7.962) 9.344 4.748 ( 0.000 -5.397 11.149) 12.387 4.749 ( 0.000 -4.615 -7.042) 8.420 5.066 ( 0.000 5.029 -0.547) 5.058 5.158 ( 0.000 8.124 -0.654) 8.150 5.263 ( 0.000 3.996 -1.365) 4.222 5.383 ( 0.000 2.377 -0.611) 2.454 5.602 ( 0.000 3.328 -2.100) 3.935 5.819 ( 0.000 5.370 3.177) 6.239 5.892 ( 0.000 1.931 4.201) 4.624 5.943 ( 0.000 -0.672 2.928) 3.004 6.250 ( 0.000 12.975 -8.867) 15.716 6.376 ( 0.000 11.361 -1.435) 11.451 6.435 ( 0.000 4.428 -5.974) 7.435 6.641 ( 0.000 3.562 -6.941) 7.802 6.769 ( 0.000 1.083 2.471) 2.698 6.926 ( 0.000 1.634 1.050) 1.942 7.071 ( 0.000 3.748 5.479) 6.638 7.187 ( 0.000 4.412 -3.408) 5.575 7.236 ( 0.000 -2.003 -2.403) 3.128 7.278 ( 0.000 -4.992 1.227) 5.140 7.310 ( 0.000 7.145 4.324) 8.351 7.609 ( 0.000 -3.097 4.286) 5.288 7.749 ( 0.000 -5.215 -5.138) 7.321 7.869 ( 0.000 8.770 10.163) 13.423 7.899 ( 0.000 -9.605 4.841) 10.756 8.074 ( 0.000 -7.454 10.500) 12.877 8.463 ( 0.000 -3.177 -2.881) 4.289 8.617 ( 0.000 4.384 -7.631) 8.800 8.787 ( 0.000 7.943 -7.142) 10.682 9.073 ( 0.000 9.407 3.699) 10.108 9.121 ( 0.000 1.880 -6.258) 6.534 9.535 ( 0.000 9.476 -8.203) 12.533 9.742 ( 0.000 -6.270 3.214) 7.046 9.992 ( 0.000 6.100 -6.407) 8.846 10.012 ( 0.000 -1.191 -1.585) 1.983 10.207 ( 0.000 11.906 -7.590) 14.119 10.445 ( 0.000 -2.432 7.025) 7.434 10.536 ( 0.000 -4.744 5.288) 7.104 10.909 ( 0.000 -0.308 10.121) 10.126 11.078 ( 0.000 0.570 10.885) 10.900 11.632 ( 0.000 -8.223 6.569) 10.525 11.660 ( 0.000 -1.589 1.023) 1.889 11.778 ( 0.000 -5.463 0.754) 5.515 11.867 ( 0.000 2.509 -7.944) 8.331 11.936 ( 0.000 -9.817 -3.187) 10.322 12.069 ( 0.000 -1.701 -2.420) 2.958 13.359 ( 0.000 1.295 6.505) 6.632 13.663 ( 0.000 -1.856 -4.012) 4.421 13.796 ( 0.000 -6.263 3.171) 7.020 13.892 ( 0.000 0.021 -10.613) 10.613 14.327 ( 0.000 2.866 -9.943) 10.348 14.409 ( 0.000 -6.905 -6.802) 9.693 14.812 ( 0.000 0.054 -13.164) 13.164 14.911 ( 0.000 -6.732 -11.048) 12.937 17.100 ( 0.000 0.839 1.567) 1.777 17.303 ( 0.000 -1.073 -2.357) 2.589 17.893 ( 0.000 -15.148 20.958) 25.859 17.904 ( 0.000 7.961 -19.475) 21.039 17.970 ( 0.000 14.053 -19.876) 24.342 17.982 ( 0.000 -16.736 14.080) 21.871 18.799 ( 0.000 -6.587 -8.515) 10.766 19.211 ( 0.000 -7.743 -12.616) 14.803 19.618 ( 0.000 10.418 21.881) 24.234 20.241 ( 0.000 -11.511 19.202) 22.388 20.371 ( 0.000 -10.948 10.995) 15.516 20.685 ( 0.000 -4.522 22.550) 22.999 21.044 ( 0.000 2.998 -3.098) 4.311 21.292 ( 0.000 3.912 3.538) 5.275 21.985 ( 0.000 5.703 -20.531) 21.309 22.666 ( 0.000 -13.037 -22.796) 26.261 24.575 ( 0.000 -0.246 6.037) 6.042 24.786 ( 0.000 -6.409 1.073) 6.498 24.808 ( 0.000 6.935 -0.019) 6.935 24.913 ( 0.000 1.579 -0.172) 1.589 24.960 ( 0.000 -1.857 -3.217) 3.714 24.999 ( 0.000 -2.445 -3.200) 4.027 25.101 ( 0.000 6.044 -2.989) 6.743 25.288 ( 0.000 4.172 -6.473) 7.701 ======================= Grid point 88 (36/60) ======================= q-point: ( 0.33 0.25 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 1.94e-05 1.94e-05 1.94e-05 1.94e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.251 ( -0.670 4.132 11.346) 12.093 1.318 ( -6.609 5.463 6.683) 10.872 1.464 ( 7.321 2.883 11.421) 13.869 1.595 ( -2.814 1.176 3.262) 4.466 1.743 ( 2.815 0.229 1.998) 3.459 1.748 ( 1.203 -1.067 -1.313) 2.076 1.799 ( -0.644 -1.122 -2.632) 2.933 1.845 ( -2.664 1.040 0.340) 2.880 2.037 ( 2.272 1.040 -2.216) 3.340 2.070 ( 0.980 1.331 1.923) 2.536 2.122 ( 3.768 0.142 0.065) 3.772 2.251 ( 3.689 -1.056 8.378) 9.215 2.301 ( -6.011 2.764 -3.133) 7.321 2.389 ( -4.986 -4.592 7.051) 9.781 2.625 ( 2.553 -3.623 3.127) 5.424 2.666 ( -1.140 0.746 -5.704) 5.865 2.900 ( 2.608 0.883 3.979) 4.839 2.944 ( -1.517 1.353 9.416) 9.633 3.005 ( -0.259 5.314 -6.590) 8.470 3.035 ( -1.782 7.254 -5.919) 9.530 3.440 ( 3.197 -3.957 8.760) 10.130 3.525 ( -3.002 -2.678 10.951) 11.666 3.623 ( 1.332 -2.121 5.959) 6.464 3.650 ( -0.976 -0.454 3.371) 3.538 3.817 ( 3.323 2.445 -0.110) 4.127 3.902 ( -4.065 1.750 -0.452) 4.449 4.191 ( 2.741 3.636 11.784) 12.633 4.233 ( -0.938 4.155 14.189) 14.815 4.594 ( 1.701 -9.771 -6.518) 11.868 4.621 ( -0.378 -5.898 2.800) 6.540 4.732 ( -0.806 -3.274 2.876) 4.432 4.737 ( -0.988 -6.978 3.749) 7.983 5.084 ( 1.697 5.687 -0.296) 5.942 5.132 ( -2.320 7.468 -0.347) 7.828 5.282 ( 2.289 2.981 -1.138) 3.926 5.346 ( -3.016 2.297 -0.628) 3.843 5.652 ( 4.092 2.602 -0.007) 4.849 5.752 ( -4.971 2.104 2.949) 6.150 5.930 ( 3.876 4.461 1.415) 6.076 5.981 ( 0.464 3.831 1.076) 4.006 6.243 ( -0.108 10.545 -5.538) 11.911 6.298 ( -4.869 9.675 -3.050) 11.253 6.475 ( 3.902 5.182 -4.507) 7.899 6.574 ( -4.354 3.649 -5.439) 7.865 6.889 ( 7.010 1.469 -0.434) 7.176 6.962 ( 1.899 3.323 0.804) 3.911 7.031 ( -2.485 2.778 2.718) 4.613 7.082 ( -6.121 0.690 -0.360) 6.171 7.230 ( 4.072 1.991 -0.809) 4.605 7.312 ( -1.423 3.010 2.373) 4.089 7.474 ( 9.424 -4.670 2.735) 10.867 7.585 ( -0.755 1.676 -1.176) 2.182 7.694 ( -5.433 -5.450 3.984) 8.666 7.734 ( -7.525 3.568 2.478) 8.689 7.948 ( 5.782 -7.884 7.728) 12.462 8.077 ( -3.755 -7.708 10.031) 13.196 8.503 ( 3.022 0.071 -2.873) 4.170 8.559 ( -2.657 4.451 -3.073) 6.026 8.863 ( 5.485 7.493 -9.316) 13.153 9.004 ( -6.936 5.960 -7.231) 11.659 9.259 ( 13.184 5.659 1.194) 14.397 9.565 ( -12.987 2.197 0.954) 13.206 9.632 ( 6.171 5.472 -7.635) 11.239 9.793 ( -8.034 1.763 -3.657) 9.001 10.223 ( 6.706 1.615 -1.934) 7.163 10.251 ( 2.945 5.861 -2.827) 7.143 10.429 ( -0.001 -2.186 2.506) 3.326 10.492 ( -3.848 -3.346 3.287) 6.067 10.976 ( 4.835 -1.232 12.936) 13.865 11.054 ( -2.254 -0.969 13.021) 13.250 11.593 ( 0.729 -1.310 0.822) 1.710 11.694 ( -4.002 -2.806 -3.157) 5.818 11.748 ( -2.362 0.345 2.489) 3.449 11.770 ( -1.527 -2.348 1.579) 3.215 11.986 ( 3.558 -8.188 -3.571) 9.615 12.053 ( -2.160 -4.815 -3.589) 6.382 13.427 ( 6.182 -0.205 5.268) 8.124 13.603 ( -9.950 -2.859 2.539) 10.659 13.772 ( 8.649 -2.364 -6.626) 11.149 13.951 ( -4.742 -1.275 -8.412) 9.741 14.285 ( 4.810 -3.642 -6.635) 8.968 14.433 ( -4.583 -1.239 -7.997) 9.300 14.829 ( 3.701 -3.109 -12.436) 13.342 14.908 ( -1.940 -3.895 -12.508) 13.244 17.126 ( 2.893 -0.324 1.967) 3.513 17.225 ( -5.732 -1.204 0.223) 5.862 17.913 ( 0.906 9.223 -19.530) 21.617 17.935 ( -0.123 4.257 -7.346) 8.491 17.952 ( 2.583 -11.352 8.954) 14.687 18.003 ( -0.481 -12.844 10.250) 16.440 18.903 ( 8.993 -7.635 -10.204) 15.598 19.110 ( -8.723 -8.749 -12.311) 17.441 19.715 ( 9.527 10.991 24.149) 28.191 20.013 ( -16.734 2.793 23.993) 29.385 20.440 ( 5.840 -10.003 11.223) 16.128 20.587 ( -7.208 -6.535 15.502) 18.303 21.106 ( 5.692 -0.352 -1.246) 5.838 21.233 ( -5.187 1.685 2.240) 5.896 22.243 ( 18.036 -1.474 -20.761) 27.541 22.560 ( -10.250 -9.928 -22.371) 26.534 24.598 ( 2.443 0.232 5.263) 5.807 24.684 ( -5.464 1.066 2.813) 6.237 24.836 ( 0.908 -4.639 -0.292) 4.736 24.865 ( -2.160 -3.904 -0.624) 4.505 25.014 ( 3.872 4.039 -2.896) 6.300 25.080 ( -1.965 5.476 -3.004) 6.548 25.113 ( 6.831 1.533 -4.096) 8.110 25.240 ( -4.461 3.671 -5.895) 8.254 ======================= Grid point 90 (37/60) ======================= q-point: ( 0.00 0.38 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 1.94e-05 1.94e-05 1.94e-05 1.94e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.342 ( 0.000 2.844 6.218) 6.838 1.439 ( 0.000 2.595 4.991) 5.625 1.528 ( 0.000 5.211 0.738) 5.263 1.631 ( 0.000 2.264 -2.011) 3.028 1.716 ( 0.000 -0.875 -1.408) 1.658 1.740 ( 0.000 1.303 -1.903) 2.306 1.797 ( 0.000 -0.639 -2.857) 2.927 1.872 ( 0.000 -2.597 1.362) 2.932 2.052 ( 0.000 2.005 -0.674) 2.116 2.057 ( 0.000 2.922 4.927) 5.728 2.126 ( 0.000 -0.048 5.564) 5.564 2.139 ( 0.000 2.839 9.322) 9.744 2.346 ( 0.000 -4.927 2.421) 5.490 2.387 ( 0.000 -9.009 17.340) 19.541 2.546 ( 0.000 5.006 -4.841) 6.964 2.717 ( 0.000 -0.443 -10.820) 10.829 2.947 ( 0.000 6.045 5.173) 7.956 2.990 ( 0.000 -0.577 8.407) 8.426 3.010 ( 0.000 -2.967 -5.020) 5.832 3.236 ( 0.000 5.109 -5.131) 7.241 3.310 ( 0.000 -1.508 4.716) 4.951 3.527 ( 0.000 -2.136 11.224) 11.426 3.564 ( 0.000 2.033 11.872) 12.044 3.664 ( 0.000 -1.375 7.005) 7.138 3.884 ( 0.000 7.162 -12.793) 14.661 3.989 ( 0.000 2.415 -4.574) 5.173 4.167 ( 0.000 -1.150 0.723) 1.359 4.262 ( 0.000 -7.629 -2.188) 7.937 4.388 ( 0.000 -0.437 6.550) 6.564 4.529 ( 0.000 -3.870 10.631) 11.313 4.631 ( 0.000 -5.221 -2.672) 5.865 4.649 ( 0.000 -4.051 12.513) 13.152 5.199 ( 0.000 5.966 -0.437) 5.982 5.309 ( 0.000 0.431 -0.834) 0.939 5.331 ( 0.000 7.702 -1.789) 7.907 5.442 ( 0.000 2.631 -1.224) 2.902 5.700 ( 0.000 5.321 2.502) 5.880 5.905 ( 0.000 -2.285 7.341) 7.688 5.916 ( 0.000 2.224 4.903) 5.383 5.931 ( 0.000 1.424 9.094) 9.205 6.471 ( 0.000 7.377 -6.444) 9.796 6.523 ( 0.000 3.357 -5.060) 6.073 6.605 ( 0.000 8.873 -1.217) 8.956 6.700 ( 0.000 1.940 -1.291) 2.330 6.796 ( 0.000 2.597 -2.031) 3.297 6.916 ( 0.000 -0.755 -1.061) 1.302 7.125 ( 0.000 -6.983 4.438) 8.274 7.132 ( 0.000 -7.057 -7.014) 9.950 7.180 ( 0.000 5.169 1.440) 5.365 7.311 ( 0.000 3.643 -2.328) 4.323 7.452 ( 0.000 6.031 5.474) 8.145 7.592 ( 0.000 0.896 1.975) 2.169 7.682 ( 0.000 -3.091 -1.891) 3.624 7.711 ( 0.000 -6.465 5.644) 8.582 7.968 ( 0.000 -0.440 9.946) 9.956 8.062 ( 0.000 7.232 5.917) 9.344 8.405 ( 0.000 -1.454 -4.659) 4.880 8.635 ( 0.000 -3.593 -7.452) 8.273 8.960 ( 0.000 8.058 -8.535) 11.738 9.134 ( 0.000 -0.242 -7.594) 7.598 9.268 ( 0.000 7.908 8.498) 11.609 9.581 ( 0.000 -8.338 6.239) 10.414 9.715 ( 0.000 8.439 -8.264) 11.812 10.005 ( 0.000 -1.124 -6.059) 6.163 10.162 ( 0.000 9.025 -0.623) 9.046 10.351 ( 0.000 -3.779 8.469) 9.274 10.403 ( 0.000 4.144 -5.747) 7.086 10.478 ( 0.000 -2.456 3.732) 4.468 10.914 ( 0.000 5.781 11.699) 13.049 11.173 ( 0.000 5.330 9.828) 11.180 11.425 ( 0.000 -11.015 7.534) 13.345 11.570 ( 0.000 -13.942 2.441) 14.154 11.665 ( 0.000 2.454 -1.067) 2.676 11.784 ( 0.000 -3.382 -2.836) 4.414 11.877 ( 0.000 -0.918 -6.038) 6.108 11.986 ( 0.000 -5.543 -1.408) 5.719 13.431 ( 0.000 5.583 4.231) 7.005 13.621 ( 0.000 -2.122 -1.952) 2.883 13.705 ( 0.000 -2.092 0.676) 2.199 13.854 ( 0.000 -4.603 -8.314) 9.503 14.293 ( 0.000 -2.582 -6.336) 6.842 14.351 ( 0.000 -0.946 -10.470) 10.513 14.805 ( 0.000 -2.470 -12.610) 12.850 14.814 ( 0.000 -0.252 -13.745) 13.748 17.169 ( 0.000 5.822 7.269) 9.313 17.317 ( 0.000 2.815 2.922) 4.057 17.596 ( 0.000 -13.081 18.887) 22.975 17.654 ( 0.000 -13.211 11.823) 17.729 18.096 ( 0.000 10.157 -19.263) 21.777 18.306 ( 0.000 16.904 -20.845) 26.838 18.593 ( 0.000 -11.738 -14.629) 18.756 18.983 ( 0.000 -13.317 -17.230) 21.777 19.890 ( 0.000 14.559 24.246) 28.282 20.103 ( 0.000 -2.717 18.562) 18.760 20.179 ( 0.000 -6.603 14.110) 15.579 20.506 ( 0.000 -11.754 25.046) 27.667 21.146 ( 0.000 5.759 -5.708) 8.108 21.326 ( 0.000 -0.913 -0.237) 0.943 22.100 ( 0.000 5.777 -16.528) 17.508 22.417 ( 0.000 -10.017 -16.949) 19.687 24.564 ( 0.000 -0.282 5.659) 5.666 24.654 ( 0.000 -5.259 3.678) 6.418 24.915 ( 0.000 0.083 -4.315) 4.316 24.921 ( 0.000 -0.957 -0.165) 0.972 24.932 ( 0.000 2.307 1.069) 2.543 24.975 ( 0.000 0.237 -2.768) 2.778 25.224 ( 0.000 5.120 -3.275) 6.077 25.338 ( 0.000 0.388 -5.454) 5.468 ======================= Grid point 91 (38/60) ======================= q-point: ( 0.33 0.38 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 1.94e-05 1.94e-05 1.94e-05 1.94e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.351 ( 1.658 4.295 4.558) 6.478 1.415 ( -3.508 2.760 2.148) 4.953 1.546 ( 3.644 4.359 4.190) 7.060 1.622 ( -2.296 0.955 0.178) 2.493 1.723 ( 1.157 -0.901 -1.107) 1.838 1.762 ( 0.059 -1.525 -2.560) 2.980 1.775 ( 1.168 2.603 3.112) 4.222 1.857 ( -3.043 0.226 1.301) 3.317 2.061 ( 1.103 1.443 1.960) 2.672 2.086 ( -0.795 -0.025 1.656) 1.837 2.153 ( 5.086 0.002 5.649) 7.601 2.221 ( 5.225 -0.202 5.259) 7.416 2.276 ( -1.804 -1.099 9.930) 10.152 2.434 ( -6.868 4.954 0.992) 8.526 2.499 ( 4.535 -6.406 -0.210) 7.852 2.636 ( -6.407 -3.254 -5.975) 9.346 2.912 ( -0.329 -1.487 0.954) 1.797 2.939 ( -2.417 -0.320 2.956) 3.832 3.120 ( 5.296 5.199 -0.372) 7.430 3.213 ( -3.450 8.382 -2.204) 9.329 3.346 ( 5.125 -4.844 7.038) 9.963 3.471 ( -5.503 -2.163 10.361) 11.930 3.606 ( 3.534 0.447 8.837) 9.528 3.659 ( -1.206 0.896 6.047) 6.231 3.899 ( 1.589 5.238 -8.323) 9.962 3.949 ( -2.783 2.977 -4.848) 6.333 4.211 ( 2.833 -2.263 0.454) 3.654 4.253 ( -1.005 -5.410 -0.658) 5.542 4.409 ( 2.485 -3.475 4.823) 6.443 4.491 ( -4.403 -5.327 3.134) 7.588 4.627 ( 3.218 -3.000 8.501) 9.572 4.682 ( -0.659 -1.719 7.108) 7.343 5.218 ( 2.157 5.812 -0.127) 6.201 5.286 ( -3.311 5.625 -0.334) 6.536 5.329 ( 1.847 2.107 -0.852) 2.928 5.395 ( -3.594 2.130 -0.431) 4.200 5.713 ( 1.964 2.532 4.133) 5.230 5.786 ( -4.877 0.897 6.575) 8.235 6.008 ( 6.460 2.076 3.048) 7.438 6.058 ( 3.622 3.241 5.557) 7.383 6.396 ( -3.450 4.202 -0.360) 5.448 6.434 ( -5.614 3.133 -0.263) 6.435 6.634 ( 2.667 8.302 -5.681) 10.407 6.690 ( -1.691 6.696 -5.568) 8.871 6.888 ( 5.185 -1.162 -4.545) 6.992 6.965 ( 1.196 -1.546 -0.022) 1.955 7.043 ( -0.518 -2.125 -4.871) 5.339 7.127 ( -4.102 1.840 0.840) 4.573 7.195 ( 2.580 -5.053 4.418) 7.191 7.267 ( -3.635 -0.771 3.424) 5.053 7.511 ( 4.782 3.455 1.281) 6.037 7.603 ( -1.928 -2.666 1.370) 3.564 7.681 ( 2.546 4.462 -4.888) 7.091 7.773 ( 0.902 -1.575 4.786) 5.119 7.858 ( -1.353 0.254 6.555) 6.698 7.999 ( -7.506 1.639 11.123) 13.518 8.485 ( 6.606 -1.626 -4.568) 8.195 8.605 ( -3.569 -0.630 -3.035) 4.727 9.013 ( 3.748 6.580 -10.501) 12.946 9.091 ( -3.331 2.828 -8.474) 9.534 9.368 ( 8.285 3.256 6.194) 10.845 9.531 ( -5.239 -4.923 4.688) 8.583 9.748 ( 3.217 6.439 -5.285) 8.930 9.866 ( -7.991 4.860 -3.347) 9.934 10.266 ( 5.480 0.044 0.581) 5.511 10.334 ( -1.286 -0.854 4.529) 4.785 10.395 ( -0.080 1.514 -2.554) 2.970 10.438 ( -3.218 -1.593 2.066) 4.143 10.997 ( 6.202 6.020 11.170) 14.123 11.116 ( -4.546 5.358 10.322) 12.487 11.479 ( 3.698 -8.770 4.475) 10.518 11.545 ( -2.175 -10.405 1.739) 10.771 11.720 ( 4.135 0.143 -0.560) 4.175 11.817 ( -4.270 -0.612 -4.221) 6.035 11.821 ( 3.340 -3.643 -1.673) 5.218 11.927 ( -5.010 -5.888 -1.692) 7.914 13.447 ( 2.477 1.962 2.893) 4.284 13.553 ( -7.392 -1.922 0.781) 7.678 13.732 ( 9.090 -1.178 -3.254) 9.726 13.942 ( -6.987 0.291 -7.206) 10.042 14.182 ( 8.874 -5.090 -5.513) 11.621 14.430 ( -7.469 0.530 -10.356) 12.780 14.751 ( 4.324 -3.393 -11.876) 13.087 14.851 ( -2.055 -1.561 -13.676) 13.917 17.164 ( 0.822 3.763 7.626) 8.543 17.235 ( -5.398 2.205 5.579) 8.070 17.648 ( 3.217 -12.099 15.336) 19.797 17.678 ( 0.692 -12.190 11.994) 17.115 18.131 ( 3.333 10.768 -19.234) 22.294 18.229 ( -5.369 12.894 -19.622) 24.085 18.704 ( 8.533 -9.677 -15.896) 20.473 18.890 ( -7.816 -11.571 -16.710) 21.777 19.934 ( 4.030 8.345 22.369) 24.213 20.037 ( -4.964 -0.105 19.418) 20.043 20.290 ( 9.171 -2.840 17.565) 20.018 20.476 ( -5.517 -5.087 25.625) 26.701 21.111 ( 1.275 1.240 -7.899) 8.097 21.233 ( -7.456 -1.860 -2.669) 8.135 22.235 ( 9.259 0.925 -16.077) 18.576 22.383 ( -3.946 -6.421 -16.542) 18.178 24.593 ( 2.771 -0.216 4.749) 5.502 24.653 ( -1.045 -3.012 3.128) 4.467 24.771 ( -4.220 -1.590 1.278) 4.687 24.795 ( -4.822 -2.433 -0.602) 5.435 25.082 ( 6.582 2.116 -2.090) 7.222 25.146 ( 8.385 1.562 -4.154) 9.487 25.190 ( -3.274 4.245 -2.811) 6.054 25.288 ( -4.633 0.827 -5.007) 6.872 ======================= Grid point 93 (39/60) ======================= q-point: ( 0.00 -0.50 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 1.94e-05 1.94e-05 1.94e-05 1.94e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 50 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.419 ( 0.000 -3.461 1.892) 3.945 1.419 ( 0.000 3.461 1.892) 3.945 1.633 ( 0.000 -2.992 -3.747) 4.795 1.633 ( 0.000 2.992 -3.747) 4.795 1.718 ( 0.000 -0.700 -2.408) 2.508 1.718 ( 0.000 0.700 -2.408) 2.508 1.826 ( 0.000 -1.883 2.438) 3.081 1.826 ( 0.000 1.883 2.438) 3.081 2.071 ( 0.000 -0.385 0.801) 0.889 2.071 ( 0.000 0.385 0.801) 0.889 2.202 ( 0.000 -6.430 11.952) 13.571 2.202 ( 0.000 6.430 11.952) 13.571 2.246 ( 0.000 -4.920 10.473) 11.571 2.246 ( 0.000 4.920 10.473) 11.571 2.651 ( 0.000 -4.639 -8.486) 9.671 2.651 ( 0.000 4.640 -8.486) 9.672 2.972 ( 0.000 -0.003 -1.253) 1.253 2.972 ( 0.000 0.003 -1.253) 1.253 3.110 ( 0.000 -8.456 4.981) 9.814 3.110 ( 0.000 8.456 4.981) 9.814 3.456 ( 0.000 -5.367 5.731) 7.852 3.456 ( 0.000 5.367 5.731) 7.852 3.616 ( 0.000 -2.141 10.462) 10.679 3.616 ( 0.000 2.141 10.462) 10.679 4.051 ( 0.000 -8.188 -11.018) 13.727 4.051 ( 0.000 8.188 -11.018) 13.727 4.088 ( 0.000 -6.573 -10.636) 12.503 4.088 ( 0.000 6.573 -10.636) 12.503 4.449 ( 0.000 -3.296 12.832) 13.249 4.449 ( 0.000 3.296 12.832) 13.249 4.586 ( 0.000 -0.520 8.729) 8.744 4.586 ( 0.000 0.520 8.729) 8.744 5.288 ( 0.000 -2.415 -0.623) 2.494 5.288 ( 0.000 2.415 -0.623) 2.495 5.451 ( 0.000 -2.574 -2.599) 3.658 5.451 ( 0.000 2.574 -2.599) 3.658 5.813 ( 0.000 -4.351 6.257) 7.621 5.813 ( 0.000 4.351 6.257) 7.621 5.946 ( 0.000 -0.006 9.755) 9.755 5.946 ( 0.000 0.006 9.755) 9.755 6.554 ( 0.000 -0.735 -4.438) 4.499 6.554 ( 0.000 0.735 -4.438) 4.499 6.716 ( 0.000 -1.167 -0.247) 1.193 6.716 ( 0.000 1.167 -0.247) 1.193 6.895 ( 0.000 -4.266 -1.495) 4.520 6.895 ( 0.000 4.266 -1.495) 4.520 7.007 ( 0.000 -0.258 -1.928) 1.945 7.007 ( 0.000 0.258 -1.928) 1.945 7.305 ( 0.000 -4.393 -5.348) 6.921 7.305 ( 0.000 4.393 -5.348) 6.921 7.568 ( 0.000 -4.457 5.663) 7.206 7.568 ( 0.000 4.457 5.663) 7.206 7.629 ( 0.000 -2.456 6.744) 7.177 7.629 ( 0.000 2.456 6.744) 7.177 8.064 ( 0.000 -5.082 2.142) 5.515 8.064 ( 0.000 5.082 2.142) 5.515 8.488 ( 0.000 -7.566 -4.578) 8.844 8.488 ( 0.000 7.566 -4.578) 8.844 9.098 ( 0.000 -4.008 -9.803) 10.591 9.098 ( 0.000 4.008 -9.803) 10.591 9.414 ( 0.000 -6.867 10.053) 12.175 9.414 ( 0.000 6.867 10.053) 12.175 9.901 ( 0.000 -8.085 -7.516) 11.039 9.901 ( 0.000 8.085 -7.516) 11.039 10.312 ( 0.000 -2.523 5.570) 6.115 10.312 ( 0.000 2.523 5.570) 6.115 10.420 ( 0.000 -0.941 -0.310) 0.991 10.420 ( 0.000 0.941 -0.310) 0.991 11.154 ( 0.000 -14.154 7.478) 16.007 11.154 ( 0.000 14.154 7.478) 16.007 11.310 ( 0.000 -8.776 6.860) 11.140 11.310 ( 0.000 8.776 6.860) 11.140 11.734 ( 0.000 -2.525 -2.973) 3.900 11.734 ( 0.000 2.525 -2.973) 3.900 11.882 ( 0.000 -2.713 -2.328) 3.575 11.882 ( 0.000 2.713 -2.328) 3.575 13.558 ( 0.000 -3.986 1.287) 4.189 13.558 ( 0.000 3.986 1.287) 4.189 13.727 ( 0.000 -2.837 -3.840) 4.774 13.727 ( 0.000 2.837 -3.840) 4.774 14.304 ( 0.000 -0.816 -7.932) 7.974 14.304 ( 0.000 0.816 -7.932) 7.974 14.798 ( 0.000 -0.260 -14.056) 14.058 14.798 ( 0.000 0.260 -14.056) 14.058 17.342 ( 0.000 -9.852 13.457) 16.678 17.342 ( 0.000 9.852 13.457) 16.678 17.431 ( 0.000 -7.431 7.991) 10.913 17.431 ( 0.000 7.432 7.991) 10.913 18.334 ( 0.000 -12.048 -17.533) 21.273 18.334 ( 0.000 12.048 -17.533) 21.273 18.664 ( 0.000 -16.314 -20.025) 25.830 18.664 ( 0.000 16.314 -20.025) 25.830 20.094 ( 0.000 -1.598 16.398) 16.476 20.094 ( 0.000 1.598 16.398) 16.476 20.213 ( 0.000 -15.143 23.994) 28.373 20.213 ( 0.000 15.143 23.994) 28.373 21.262 ( 0.000 -4.610 -3.353) 5.701 21.262 ( 0.000 4.610 -3.353) 5.701 22.237 ( 0.000 -7.196 -14.638) 16.311 22.237 ( 0.000 7.196 -14.638) 16.311 24.578 ( 0.000 -1.882 5.060) 5.398 24.578 ( 0.000 1.882 5.060) 5.398 24.904 ( 0.000 -0.013 -2.187) 2.187 24.904 ( 0.000 0.013 -2.187) 2.187 24.975 ( 0.000 -0.168 -0.644) 0.666 24.975 ( 0.000 0.168 -0.644) 0.666 25.310 ( 0.000 -2.765 -4.111) 4.954 25.310 ( 0.000 2.765 -4.111) 4.954 ======================= Grid point 95 (40/60) ======================= q-point: ( 0.33 -0.50 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 1.94e-05 1.94e-05 1.94e-05 1.94e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 75 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.412 ( 0.475 0.000 1.256) 1.343 1.429 ( -0.481 0.000 1.905) 1.965 1.603 ( -0.173 0.000 -3.102) 3.106 1.625 ( -1.566 -0.000 -2.708) 3.128 1.714 ( 1.478 0.000 0.315) 1.512 1.748 ( -0.128 0.000 -0.881) 0.890 1.831 ( 0.485 -0.000 2.916) 2.956 1.843 ( 0.384 0.000 0.881) 0.961 2.085 ( 0.788 -0.001 0.885) 1.185 2.085 ( 0.452 0.001 3.519) 3.548 2.150 ( 0.338 0.000 15.354) 15.357 2.185 ( -2.057 0.000 14.474) 14.619 2.352 ( 7.592 0.001 3.910) 8.540 2.355 ( 8.538 -0.001 1.248) 8.628 2.539 ( -7.734 0.000 -6.674) 10.216 2.562 ( -10.171 -0.000 -5.191) 11.419 2.872 ( 0.835 0.000 -0.514) 0.980 2.944 ( -4.736 0.000 -0.220) 4.741 3.213 ( 5.307 0.000 5.297) 7.498 3.252 ( 9.895 -0.000 2.742) 10.268 3.326 ( -5.627 0.000 5.592) 7.933 3.439 ( -7.246 -0.000 3.476) 8.037 3.618 ( 4.198 0.000 11.373) 12.123 3.671 ( -0.033 0.000 11.164) 11.164 4.010 ( -1.661 0.000 -11.194) 11.316 4.011 ( -1.653 -0.000 -8.659) 8.815 4.114 ( 1.779 0.000 -11.814) 11.947 4.130 ( 0.857 0.000 -12.899) 12.927 4.402 ( -0.388 0.000 13.757) 13.763 4.438 ( -3.698 0.000 10.123) 10.777 4.598 ( 5.188 0.000 10.468) 11.683 4.661 ( 0.480 0.000 8.825) 8.838 5.294 ( 1.622 0.000 0.428) 1.677 5.315 ( 1.511 -0.000 0.012) 1.511 5.389 ( -3.120 0.000 -1.397) 3.419 5.416 ( -3.680 -0.000 -2.330) 4.355 5.741 ( 0.131 0.000 7.073) 7.074 5.794 ( -4.543 0.000 8.574) 9.703 6.024 ( 9.291 0.000 3.734) 10.014 6.098 ( 4.210 0.000 7.884) 8.938 6.446 ( -5.695 0.000 2.245) 6.122 6.457 ( -5.303 0.000 0.468) 5.323 6.754 ( 2.523 0.000 -7.088) 7.524 6.771 ( 0.705 0.000 -4.571) 4.625 6.894 ( 0.676 0.000 -4.453) 4.504 6.903 ( -0.779 -0.000 -5.528) 5.582 7.024 ( 3.937 0.000 1.387) 4.174 7.069 ( 2.444 -0.000 4.313) 4.957 7.209 ( -3.762 -0.000 -2.652) 4.602 7.254 ( -5.139 0.000 -1.990) 5.511 7.547 ( 0.189 0.000 6.685) 6.688 7.560 ( -1.565 0.000 5.395) 5.618 7.698 ( 7.430 0.000 -2.626) 7.880 7.796 ( 10.096 0.000 6.189) 11.842 7.873 ( -8.319 0.000 -1.964) 8.548 8.041 ( -10.177 0.000 9.732) 14.081 8.465 ( 6.220 0.000 -7.392) 9.661 8.575 ( -1.393 0.000 -1.418) 1.988 9.109 ( 1.225 0.000 -13.408) 13.463 9.116 ( 0.636 0.000 -8.960) 8.983 9.412 ( 1.413 0.000 10.361) 10.456 9.437 ( 0.106 -0.000 7.730) 7.730 9.864 ( 0.051 -0.000 -3.475) 3.476 9.909 ( -2.543 0.000 -5.643) 6.190 10.243 ( 0.568 0.000 6.651) 6.676 10.316 ( -4.224 0.000 3.561) 5.525 10.408 ( 1.043 0.000 0.019) 1.044 10.428 ( -0.615 0.000 -0.906) 1.095 11.181 ( 3.087 -0.000 4.429) 5.398 11.212 ( 1.430 0.000 5.589) 5.769 11.327 ( 1.368 -0.000 8.259) 8.371 11.332 ( 1.165 0.000 8.962) 9.037 11.719 ( 1.099 0.000 -5.284) 5.397 11.771 ( -0.337 0.000 -3.758) 3.773 11.820 ( -1.696 0.000 -1.316) 2.147 11.862 ( -2.679 -0.000 -0.293) 2.695 13.481 ( -1.146 0.000 0.978) 1.507 13.525 ( -5.628 0.000 -1.004) 5.717 13.722 ( 9.592 0.000 -0.604) 9.611 13.949 ( -7.873 0.000 -6.484) 10.199 14.118 ( 12.494 0.000 -4.714) 13.354 14.439 ( -9.303 0.000 -11.039) 14.436 14.712 ( 5.028 0.000 -11.789) 12.816 14.835 ( -2.846 0.000 -13.799) 14.089 17.237 ( -1.931 0.000 12.795) 12.940 17.280 ( -5.404 0.000 10.181) 11.526 17.489 ( 4.637 -0.000 10.842) 11.792 17.524 ( 1.644 0.000 8.601) 8.757 18.331 ( 0.859 -0.000 -16.377) 16.400 18.350 ( -0.167 0.000 -16.682) 16.683 18.643 ( -0.424 -0.000 -20.830) 20.834 18.657 ( -1.148 0.000 -20.990) 21.022 20.024 ( -2.142 0.000 16.202) 16.343 20.028 ( -2.548 -0.000 17.886) 18.067 20.334 ( 7.110 -0.000 25.546) 26.517 20.358 ( 5.801 0.000 27.895) 28.492 21.153 ( -4.914 -0.000 -7.818) 9.234 21.182 ( -6.395 0.000 -6.842) 9.365 22.273 ( 2.908 0.000 -14.186) 14.481 22.290 ( 1.886 -0.000 -14.108) 14.233 24.603 ( 2.115 -0.001 3.356) 3.967 24.603 ( 1.998 0.001 4.734) 5.138 24.753 ( -5.338 -0.000 1.735) 5.612 24.769 ( -6.770 0.000 -0.807) 6.818 25.104 ( 8.043 0.000 -1.661) 8.213 25.165 ( 7.984 0.000 -3.754) 8.822 25.245 ( -4.973 0.000 -3.220) 5.925 25.287 ( -3.399 0.000 -4.184) 5.391 ======================= Grid point 108 (41/60) ======================= q-point: ( 0.00 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 1.94e-05 1.94e-05 1.94e-05 1.94e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.463 ( 0.000 0.000 9.990) 9.990 1.510 ( 0.000 0.000 9.545) 9.545 1.513 ( 0.000 0.000 4.555) 4.555 1.703 ( 0.000 0.000 -0.355) 0.355 1.723 ( 0.000 0.000 -3.886) 3.886 1.730 ( 0.000 0.000 11.090) 11.090 1.740 ( 0.000 0.000 -4.215) 4.215 1.798 ( 0.000 0.000 2.128) 2.128 2.044 ( 0.000 0.000 4.129) 4.129 2.143 ( 0.000 0.000 0.813) 0.813 2.279 ( 0.000 0.000 -4.249) 4.249 2.299 ( 0.000 0.000 2.341) 2.341 2.309 ( 0.000 0.000 -1.010) 1.010 2.368 ( 0.000 0.000 13.757) 13.757 2.495 ( 0.000 0.000 -17.267) 17.267 2.548 ( 0.000 0.000 -7.041) 7.041 2.695 ( 0.000 0.000 -14.986) 14.986 2.812 ( 0.000 0.000 -8.865) 8.865 2.850 ( 0.000 0.000 13.461) 13.461 3.127 ( 0.000 0.000 3.362) 3.362 3.621 ( 0.000 0.000 6.149) 6.149 3.646 ( 0.000 0.000 5.910) 5.910 3.878 ( 0.000 0.000 5.877) 5.877 3.917 ( 0.000 0.000 3.840) 3.840 4.032 ( 0.000 0.000 16.360) 16.360 4.243 ( 0.000 0.000 19.747) 19.747 4.277 ( 0.000 0.000 14.906) 14.906 4.317 ( 0.000 0.000 21.370) 21.370 4.630 ( 0.000 0.000 -10.507) 10.507 4.738 ( 0.000 0.000 -7.380) 7.380 4.907 ( 0.000 0.000 6.611) 6.611 4.914 ( 0.000 0.000 -9.093) 9.093 4.961 ( 0.000 0.000 -11.104) 11.104 5.040 ( 0.000 0.000 0.902) 0.902 5.053 ( 0.000 0.000 -1.464) 1.464 5.178 ( 0.000 0.000 -6.683) 6.683 5.496 ( 0.000 0.000 0.862) 0.862 5.719 ( 0.000 0.000 -5.533) 5.533 5.765 ( 0.000 0.000 7.129) 7.129 5.853 ( 0.000 0.000 2.263) 2.263 5.966 ( 0.000 0.000 2.259) 2.259 6.033 ( 0.000 0.000 -3.273) 3.273 6.104 ( 0.000 0.000 -9.513) 9.513 6.314 ( 0.000 0.000 -14.339) 14.339 6.805 ( 0.000 0.000 6.305) 6.305 6.821 ( 0.000 0.000 6.997) 6.997 7.092 ( 0.000 0.000 1.260) 1.260 7.114 ( 0.000 0.000 -10.493) 10.493 7.119 ( 0.000 0.000 -4.625) 4.625 7.179 ( 0.000 0.000 1.747) 1.747 7.370 ( 0.000 0.000 10.145) 10.145 7.781 ( 0.000 0.000 -10.106) 10.106 8.032 ( 0.000 0.000 11.877) 11.877 8.064 ( 0.000 0.000 15.375) 15.375 8.184 ( 0.000 0.000 2.017) 2.017 8.224 ( 0.000 0.000 1.365) 1.365 8.391 ( 0.000 0.000 -8.666) 8.666 8.476 ( 0.000 0.000 -6.435) 6.435 8.642 ( 0.000 0.000 5.169) 5.169 8.865 ( 0.000 0.000 -6.720) 6.720 8.941 ( 0.000 0.000 -2.544) 2.544 8.974 ( 0.000 0.000 -3.763) 3.763 9.668 ( 0.000 0.000 -4.845) 4.845 9.774 ( 0.000 0.000 -10.260) 10.260 9.934 ( 0.000 0.000 2.695) 2.695 10.036 ( 0.000 0.000 -2.939) 2.939 10.593 ( 0.000 0.000 6.727) 6.727 10.757 ( 0.000 0.000 -1.175) 1.175 10.909 ( 0.000 0.000 9.419) 9.419 11.224 ( 0.000 0.000 -6.639) 6.639 11.729 ( 0.000 0.000 0.618) 0.618 11.740 ( 0.000 0.000 1.340) 1.340 11.879 ( 0.000 0.000 2.822) 2.822 11.899 ( 0.000 0.000 -0.614) 0.614 11.967 ( 0.000 0.000 2.257) 2.257 12.098 ( 0.000 0.000 -4.422) 4.422 13.520 ( 0.000 0.000 9.784) 9.784 13.625 ( 0.000 0.000 -3.294) 3.294 13.700 ( 0.000 0.000 -7.850) 7.850 13.906 ( 0.000 0.000 -9.779) 9.779 14.391 ( 0.000 0.000 12.480) 12.480 14.463 ( 0.000 0.000 -3.169) 3.169 14.617 ( 0.000 0.000 -9.977) 9.977 14.870 ( 0.000 0.000 -12.458) 12.458 17.120 ( 0.000 0.000 1.785) 1.785 17.264 ( 0.000 0.000 -3.681) 3.681 17.314 ( 0.000 0.000 -10.266) 10.266 17.461 ( 0.000 0.000 -12.879) 12.879 18.556 ( 0.000 0.000 8.854) 8.854 18.798 ( 0.000 0.000 9.477) 9.477 18.850 ( 0.000 0.000 -1.399) 1.399 19.176 ( 0.000 0.000 -8.926) 8.926 19.808 ( 0.000 0.000 27.341) 27.341 20.715 ( 0.000 0.000 -17.509) 17.509 20.719 ( 0.000 0.000 1.909) 1.909 20.763 ( 0.000 0.000 0.711) 0.711 21.297 ( 0.000 0.000 4.808) 4.808 21.432 ( 0.000 0.000 22.342) 22.342 21.458 ( 0.000 0.000 -4.070) 4.070 22.449 ( 0.000 0.000 -30.955) 30.955 24.579 ( 0.000 0.000 7.154) 7.154 24.775 ( 0.000 0.000 4.732) 4.732 24.828 ( 0.000 0.000 -5.197) 5.197 24.833 ( 0.000 0.000 -0.657) 0.657 24.849 ( 0.000 0.000 -1.316) 1.316 24.943 ( 0.000 0.000 -4.588) 4.588 25.056 ( 0.000 0.000 -1.391) 1.391 25.071 ( 0.000 0.000 -3.308) 3.308 ======================= Grid point 109 (42/60) ======================= q-point: ( 0.33 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 1.94e-05 1.94e-05 1.94e-05 1.94e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.478 ( 3.617 0.000 13.570) 14.044 1.566 ( 4.944 0.000 7.943) 9.356 1.568 ( -1.676 0.000 8.359) 8.526 1.677 ( -3.492 0.000 1.667) 3.870 1.708 ( 2.765 0.000 2.460) 3.701 1.729 ( 0.190 0.000 -1.642) 1.653 1.745 ( -2.549 0.000 1.504) 2.960 1.764 ( -0.325 0.000 -3.238) 3.254 2.076 ( 2.966 0.000 4.000) 4.980 2.116 ( -1.026 0.000 0.513) 1.147 2.162 ( -5.219 0.000 -0.597) 5.253 2.167 ( -5.684 0.000 4.363) 7.165 2.413 ( 4.800 0.000 -4.715) 6.729 2.502 ( -3.594 0.000 -6.617) 7.530 2.525 ( 5.913 0.000 -7.121) 9.256 2.582 ( 9.088 0.000 1.336) 9.186 2.640 ( -4.674 0.000 -14.510) 15.244 2.770 ( -7.081 0.000 11.597) 13.588 2.898 ( 6.825 0.000 -5.309) 8.647 3.049 ( -6.446 0.000 0.206) 6.450 3.682 ( 5.222 0.000 6.704) 8.497 3.713 ( 5.350 0.000 6.837) 8.681 3.808 ( -5.700 0.000 6.626) 8.740 3.835 ( -5.619 0.000 6.836) 8.849 4.109 ( 5.233 0.000 13.738) 14.702 4.220 ( -4.688 0.000 14.312) 15.060 4.267 ( 1.872 0.000 19.678) 19.766 4.304 ( -1.292 0.000 20.652) 20.693 4.655 ( 2.127 0.000 -9.743) 9.973 4.707 ( -2.401 0.000 -8.204) 8.548 4.900 ( 0.830 0.000 -3.583) 3.677 4.932 ( -1.618 0.000 -5.488) 5.722 4.976 ( 3.065 0.000 -2.796) 4.149 5.029 ( -1.491 0.000 -0.407) 1.545 5.096 ( 3.162 0.000 -2.631) 4.113 5.155 ( -2.099 0.000 -5.316) 5.716 5.573 ( 6.663 0.000 1.105) 6.754 5.725 ( -5.677 0.000 3.414) 6.625 5.767 ( 4.823 0.000 -4.877) 6.859 5.846 ( 1.632 0.000 4.540) 4.824 5.913 ( -3.813 0.000 3.763) 5.358 5.914 ( -8.036 0.000 -3.976) 8.966 6.182 ( 5.084 0.000 -10.319) 11.504 6.279 ( -3.372 0.000 -13.259) 13.681 6.833 ( 6.171 0.000 3.371) 7.031 6.978 ( -1.284 0.000 -5.588) 5.734 6.989 ( 2.557 0.000 8.395) 8.775 7.029 ( -4.811 0.000 0.804) 4.877 7.062 ( -0.006 0.000 3.334) 3.334 7.286 ( -9.342 0.000 9.615) 13.406 7.416 ( 15.755 0.000 -10.566) 18.970 7.702 ( -9.277 0.000 -10.944) 14.347 7.991 ( -0.769 0.000 12.656) 12.680 8.016 ( -1.927 0.000 11.726) 11.883 8.236 ( 5.803 0.000 1.155) 5.917 8.362 ( -3.753 0.000 -5.978) 7.059 8.412 ( 11.688 0.000 2.486) 11.949 8.486 ( 1.123 0.000 -4.438) 4.578 8.548 ( -5.264 0.000 2.495) 5.825 8.654 ( -11.152 0.000 -1.135) 11.210 9.151 ( 13.488 0.000 -3.235) 13.871 9.188 ( 14.066 0.000 -6.000) 15.293 9.476 ( -16.494 0.000 -4.136) 17.005 9.486 ( -13.287 0.000 -5.628) 14.430 10.181 ( 10.194 0.000 -0.993) 10.243 10.228 ( 16.400 0.000 -3.342) 16.737 10.412 ( -11.315 0.000 3.054) 11.720 10.560 ( -14.394 0.000 -3.403) 14.790 11.162 ( 17.516 0.000 10.499) 20.421 11.400 ( 12.096 0.000 -3.020) 12.467 11.535 ( -15.935 0.000 6.801) 17.326 11.632 ( -8.599 0.000 -0.041) 8.599 11.904 ( 2.061 0.000 2.394) 3.159 11.948 ( -1.728 0.000 2.132) 2.744 11.968 ( 4.635 0.000 -3.030) 5.538 12.061 ( -3.470 0.000 -4.537) 5.712 13.564 ( 3.765 0.000 5.995) 7.079 13.654 ( -3.925 0.000 -2.667) 4.745 13.700 ( 6.162 0.000 -5.730) 8.415 13.837 ( -5.786 0.000 -8.842) 10.567 14.408 ( 1.522 0.000 7.649) 7.799 14.445 ( -1.564 0.000 -0.033) 1.564 14.685 ( 5.626 0.000 -10.507) 11.919 14.810 ( -5.182 0.000 -11.775) 12.864 17.157 ( 3.109 0.000 0.725) 3.192 17.228 ( -3.035 0.000 -1.957) 3.611 17.352 ( 3.174 0.000 -10.715) 11.175 17.425 ( -3.109 0.000 -12.006) 12.402 18.615 ( 5.152 0.000 8.933) 10.312 18.737 ( -5.248 0.000 9.297) 10.676 18.960 ( 8.761 0.000 -6.187) 10.725 19.125 ( -5.246 0.000 -9.881) 11.187 19.901 ( 9.966 0.000 27.461) 29.214 20.280 ( -25.317 0.000 18.191) 31.175 20.719 ( 0.654 0.000 -13.793) 13.809 20.744 ( -1.434 0.000 -6.129) 6.294 21.339 ( 3.266 0.000 10.842) 11.323 21.405 ( -2.453 0.000 19.123) 19.280 21.884 ( 25.131 0.000 -17.993) 30.908 22.305 ( -13.619 0.000 -27.987) 31.125 24.611 ( 2.947 0.000 6.512) 7.148 24.694 ( -4.603 0.000 4.926) 6.742 24.836 ( 0.618 0.000 -4.489) 4.531 24.843 ( 0.248 0.000 -2.910) 2.921 24.933 ( 4.906 0.000 -0.866) 4.982 24.969 ( 2.636 0.000 -3.521) 4.398 25.022 ( -3.123 0.000 -1.279) 3.375 25.037 ( -2.983 0.000 -3.133) 4.326 ======================= Grid point 111 (43/60) ======================= q-point: ( 0.00 0.12 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 1.94e-05 1.94e-05 1.94e-05 1.94e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.485 ( 0.000 1.560 8.832) 8.969 1.505 ( 0.000 0.716 4.965) 5.017 1.520 ( 0.000 -0.461 7.465) 7.479 1.638 ( 0.000 -4.784 8.016) 9.335 1.707 ( 0.000 -0.586 -2.993) 3.050 1.719 ( 0.000 0.376 1.416) 1.465 1.743 ( 0.000 -0.352 -4.323) 4.337 1.849 ( 0.000 2.908 0.447) 2.943 2.034 ( 0.000 -0.785 4.170) 4.243 2.131 ( 0.000 -1.890 2.134) 2.850 2.269 ( 0.000 -0.608 4.201) 4.245 2.276 ( 0.000 -0.184 -3.694) 3.699 2.354 ( 0.000 2.180 -1.070) 2.429 2.382 ( 0.000 1.271 12.486) 12.551 2.503 ( 0.000 -0.394 -13.796) 13.802 2.572 ( 0.000 4.614 -10.678) 11.632 2.753 ( 0.000 4.757 -14.100) 14.881 2.802 ( 0.000 -0.565 -7.627) 7.648 2.885 ( 0.000 2.461 13.156) 13.384 3.149 ( 0.000 1.877 3.377) 3.864 3.599 ( 0.000 -1.926 4.710) 5.089 3.619 ( 0.000 -2.492 5.701) 6.221 3.861 ( 0.000 -0.905 6.580) 6.641 3.924 ( 0.000 -7.341 15.745) 17.372 3.941 ( 0.000 1.266 1.916) 2.297 4.102 ( 0.000 -9.161 17.852) 20.066 4.354 ( 0.000 5.754 17.379) 18.307 4.454 ( 0.000 6.553 17.935) 19.095 4.566 ( 0.000 -6.759 -12.659) 14.350 4.690 ( 0.000 -4.287 -9.248) 10.193 4.861 ( 0.000 -2.945 8.279) 8.788 4.936 ( 0.000 2.194 -8.080) 8.372 4.972 ( 0.000 3.037 -6.966) 7.599 4.996 ( 0.000 -2.587 4.645) 5.317 5.122 ( 0.000 4.641 -2.420) 5.234 5.227 ( 0.000 3.250 -8.114) 8.740 5.528 ( 0.000 3.169 2.653) 4.133 5.808 ( 0.000 3.992 7.342) 8.357 5.816 ( 0.000 8.335 -7.230) 11.034 5.894 ( 0.000 4.032 2.490) 4.739 5.975 ( 0.000 1.334 2.884) 3.177 6.113 ( 0.000 6.923 -4.656) 8.343 6.175 ( 0.000 5.793 -8.851) 10.578 6.348 ( 0.000 3.163 -13.307) 13.677 6.845 ( 0.000 1.527 6.851) 7.019 6.868 ( 0.000 5.415 4.214) 6.861 7.101 ( 0.000 -0.965 -7.607) 7.668 7.109 ( 0.000 1.441 0.876) 1.687 7.139 ( 0.000 2.555 -2.762) 3.763 7.248 ( 0.000 5.006 -0.446) 5.026 7.330 ( 0.000 -3.542 8.075) 8.818 7.724 ( 0.000 -5.252 -10.157) 11.435 7.973 ( 0.000 -7.082 14.366) 16.017 8.029 ( 0.000 0.580 13.369) 13.382 8.139 ( 0.000 -4.028 3.739) 5.496 8.237 ( 0.000 0.546 -0.254) 0.602 8.412 ( 0.000 -1.454 -8.268) 8.395 8.486 ( 0.000 3.337 -9.123) 9.714 8.588 ( 0.000 -3.178 6.246) 7.008 8.908 ( 0.000 2.741 -8.625) 9.050 8.951 ( 0.000 5.765 2.785) 6.403 9.155 ( 0.000 11.134 -7.537) 13.445 9.739 ( 0.000 5.490 -5.232) 7.584 9.835 ( 0.000 6.621 -8.622) 10.871 9.902 ( 0.000 -2.807 3.131) 4.205 10.016 ( 0.000 -1.849 -2.723) 3.291 10.589 ( 0.000 -0.310 6.413) 6.420 10.715 ( 0.000 -3.723 0.570) 3.766 10.974 ( 0.000 5.746 9.478) 11.084 11.242 ( 0.000 1.134 -2.333) 2.594 11.695 ( 0.000 -2.094 -0.022) 2.095 11.742 ( 0.000 -0.436 -0.812) 0.921 11.851 ( 0.000 -2.203 3.782) 4.377 11.907 ( 0.000 -2.785 3.242) 4.274 11.960 ( 0.000 1.401 -2.459) 2.830 12.056 ( 0.000 -3.886 -3.825) 5.453 13.515 ( 0.000 -0.417 9.668) 9.677 13.617 ( 0.000 -0.667 -2.895) 2.971 13.702 ( 0.000 0.250 -7.795) 7.799 13.884 ( 0.000 -2.160 -8.045) 8.330 14.337 ( 0.000 -4.246 10.164) 11.015 14.425 ( 0.000 -3.513 -2.923) 4.570 14.595 ( 0.000 -1.691 -10.613) 10.746 14.812 ( 0.000 -5.299 -13.079) 14.111 17.122 ( 0.000 0.732 2.980) 3.069 17.257 ( 0.000 0.511 -1.942) 2.008 17.409 ( 0.000 7.373 -12.140) 14.204 17.491 ( 0.000 3.052 -13.079) 13.430 18.436 ( 0.000 -10.458 9.838) 14.358 18.622 ( 0.000 -12.805 13.224) 18.407 18.812 ( 0.000 -6.161 -5.670) 8.373 19.124 ( 0.000 -5.346 -11.255) 12.460 19.889 ( 0.000 7.172 26.963) 27.900 20.642 ( 0.000 -6.252 -6.885) 9.301 20.691 ( 0.000 -4.505 3.831) 5.914 20.788 ( 0.000 4.223 0.365) 4.239 21.297 ( 0.000 1.433 4.531) 4.752 21.365 ( 0.000 -5.909 22.281) 23.051 21.517 ( 0.000 4.054 -11.078) 11.796 22.368 ( 0.000 -6.887 -29.337) 30.134 24.642 ( 0.000 4.622 6.198) 7.732 24.761 ( 0.000 -0.180 3.174) 3.179 24.859 ( 0.000 1.973 -0.451) 2.024 24.861 ( 0.000 0.241 -0.404) 0.470 24.888 ( 0.000 4.009 -3.864) 5.568 24.938 ( 0.000 0.329 -4.404) 4.416 25.021 ( 0.000 -2.757 -1.259) 3.031 25.092 ( 0.000 2.262 -4.382) 4.931 ======================= Grid point 112 (44/60) ======================= q-point: ( 0.33 0.12 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 1.94e-05 1.94e-05 1.94e-05 1.94e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.453 ( 1.437 -0.837 12.521) 12.631 1.519 ( -2.645 -2.963 10.339) 11.076 1.605 ( 3.212 1.096 5.893) 6.801 1.629 ( 1.874 -2.003 1.599) 3.175 1.719 ( 0.560 0.243 -1.404) 1.531 1.728 ( 0.645 0.051 -1.894) 2.002 1.753 ( 1.000 -0.557 -3.672) 3.846 1.805 ( -3.349 2.615 0.222) 4.255 2.065 ( 2.829 -0.718 4.548) 5.404 2.114 ( -0.266 0.852 3.665) 3.772 2.173 ( -5.074 -0.139 4.274) 6.636 2.184 ( -5.337 2.300 0.063) 5.812 2.386 ( 4.169 -1.687 -2.619) 5.204 2.464 ( -2.439 -2.145 -4.932) 5.905 2.590 ( 6.949 3.916 -0.666) 8.004 2.601 ( 6.344 2.687 -8.798) 11.174 2.701 ( -4.263 4.999 -13.503) 15.016 2.795 ( -7.627 1.545 10.842) 13.346 2.897 ( 7.383 0.068 -4.653) 8.727 3.062 ( -7.114 0.985 0.112) 7.183 3.673 ( 5.637 -0.751 6.276) 8.469 3.688 ( 5.479 -2.154 6.754) 8.960 3.801 ( -4.605 -0.829 7.362) 8.723 3.830 ( -6.002 -1.284 6.769) 9.137 4.009 ( 3.591 -5.616 11.885) 13.627 4.077 ( -2.428 -7.980 15.907) 17.961 4.381 ( 2.203 6.399 17.542) 18.802 4.430 ( -2.024 6.769 17.776) 19.129 4.591 ( 2.218 -6.506 -11.840) 13.691 4.649 ( -2.935 -5.363 -9.732) 11.493 4.910 ( 3.451 -2.088 7.086) 8.154 4.942 ( 0.615 1.688 -7.758) 7.963 4.958 ( -1.056 3.282 -6.563) 7.413 4.977 ( -2.047 -3.251 4.788) 6.138 5.152 ( 2.579 3.958 -3.496) 5.877 5.206 ( -1.979 3.402 -6.468) 7.571 5.604 ( 6.514 3.020 2.584) 7.631 5.754 ( -6.084 2.905 4.340) 8.018 5.854 ( 3.463 7.455 -5.689) 9.997 5.887 ( 1.146 4.093 4.959) 6.531 5.957 ( -1.721 4.341 2.300) 5.206 6.006 ( -6.724 7.398 -5.042) 11.197 6.235 ( 4.111 4.733 -9.748) 11.590 6.318 ( -2.933 3.447 -12.362) 13.165 6.874 ( 5.213 3.476 2.501) 6.747 6.958 ( 1.148 -0.732 1.293) 1.877 7.035 ( -3.277 1.048 1.586) 3.788 7.047 ( -4.361 2.832 0.846) 5.268 7.121 ( 2.254 4.714 2.079) 5.624 7.299 ( -4.448 1.052 6.160) 7.670 7.399 ( 11.725 -1.099 -8.173) 14.335 7.647 ( -8.515 -4.615 -9.248) 13.392 7.944 ( 0.236 -4.526 13.483) 14.224 7.986 ( -2.367 -2.230 12.426) 12.845 8.197 ( 6.373 -3.634 3.213) 8.009 8.354 ( -4.942 -3.614 -1.379) 6.276 8.379 ( 6.316 0.825 -1.872) 6.639 8.478 ( -2.915 -0.961 0.849) 3.185 8.566 ( 3.686 3.482 -5.408) 7.413 8.733 ( -9.760 5.209 -5.606) 12.403 9.155 ( 13.477 3.243 -0.386) 13.867 9.320 ( 11.926 8.608 -7.769) 16.634 9.476 ( -16.147 2.310 -2.219) 16.461 9.591 ( -12.968 6.599 -6.677) 16.009 10.168 ( 11.337 -0.461 0.312) 11.351 10.217 ( 12.999 -0.603 -1.268) 13.075 10.440 ( -8.876 1.981 1.688) 9.250 10.555 ( -12.245 -0.746 -2.380) 12.497 11.180 ( 14.487 1.632 10.685) 18.075 11.352 ( 5.449 -3.721 3.863) 7.646 11.569 ( -9.381 2.568 0.419) 9.736 11.618 ( -7.721 -1.041 -0.197) 7.794 11.878 ( 1.550 -2.218 3.225) 4.210 11.905 ( -0.671 -3.254 3.084) 4.533 11.994 ( 2.533 0.718 -3.655) 4.504 12.042 ( -1.553 -2.158 -4.143) 4.923 13.556 ( 3.611 -0.668 6.091) 7.112 13.647 ( -4.119 -0.674 -2.203) 4.719 13.690 ( 5.810 -0.820 -5.168) 7.819 13.823 ( -5.459 -1.221 -8.343) 10.045 14.356 ( 2.156 -4.358 6.321) 7.975 14.409 ( -1.970 -2.997 -0.305) 3.600 14.655 ( 4.996 -2.600 -11.076) 12.426 14.763 ( -4.300 -4.254 -12.490) 13.877 17.158 ( 3.050 0.491 2.132) 3.754 17.227 ( -2.777 0.294 -0.157) 2.796 17.423 ( 1.455 6.150 -12.361) 13.883 17.465 ( -2.076 3.929 -12.711) 13.465 18.492 ( 4.719 -10.742 10.277) 15.597 18.592 ( -3.555 -12.101 12.178) 17.532 18.890 ( 7.294 -6.767 -8.782) 13.271 19.054 ( -6.397 -6.603 -11.369) 14.620 19.989 ( 10.113 7.565 26.077) 28.975 20.335 ( -21.417 4.202 17.416) 27.922 20.695 ( 0.798 -2.901 -4.689) 5.571 20.723 ( -1.594 -0.933 -6.809) 7.055 21.324 ( 1.541 -1.145 9.712) 9.900 21.355 ( -1.059 -4.262 17.913) 18.443 21.864 ( 21.900 -1.437 -19.151) 29.128 22.238 ( -12.240 -5.557 -26.940) 30.107 24.661 ( 1.856 3.523 5.840) 7.068 24.716 ( -3.062 1.505 4.557) 5.693 24.868 ( 0.683 1.151 -3.970) 4.189 24.875 ( 0.484 2.659 -3.094) 4.108 24.930 ( 2.232 -0.327 0.166) 2.262 24.940 ( 0.477 -0.622 -1.768) 1.934 25.020 ( 0.408 -0.032 -2.982) 3.010 25.060 ( -2.605 2.397 -4.216) 5.505 ======================= Grid point 114 (45/60) ======================= q-point: ( 0.00 0.25 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 1.94e-05 1.94e-05 1.94e-05 1.94e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.491 ( 0.000 -1.883 7.180) 7.422 1.502 ( 0.000 -0.335 4.894) 4.906 1.546 ( 0.000 2.714 1.659) 3.181 1.562 ( 0.000 -1.945 5.266) 5.614 1.702 ( 0.000 -0.500 -2.612) 2.660 1.728 ( 0.000 0.298 1.664) 1.691 1.737 ( 0.000 0.598 -3.801) 3.848 1.889 ( 0.000 0.525 -2.746) 2.796 2.028 ( 0.000 0.765 4.308) 4.375 2.112 ( 0.000 0.712 5.443) 5.490 2.254 ( 0.000 -0.360 6.661) 6.670 2.276 ( 0.000 0.330 -0.666) 0.743 2.395 ( 0.000 2.334 1.411) 2.727 2.423 ( 0.000 2.578 7.868) 8.279 2.498 ( 0.000 0.463 -10.729) 10.739 2.757 ( 0.000 11.461 -11.786) 16.440 2.785 ( 0.000 -1.632 -1.806) 2.434 2.863 ( 0.000 4.808 -12.577) 13.465 2.924 ( 0.000 1.157 10.956) 11.017 3.186 ( 0.000 0.600 3.987) 4.032 3.525 ( 0.000 -5.458 3.442) 6.453 3.568 ( 0.000 -1.077 1.268) 1.664 3.771 ( 0.000 -6.328 10.383) 12.159 3.841 ( 0.000 -1.067 6.626) 6.711 3.916 ( 0.000 -7.604 14.185) 16.094 3.955 ( 0.000 0.124 0.309) 0.333 4.315 ( 0.000 -11.761 -7.592) 13.998 4.371 ( 0.000 -9.538 -3.190) 10.057 4.586 ( 0.000 5.559 17.351) 18.219 4.650 ( 0.000 2.110 2.229) 3.069 4.807 ( 0.000 -2.008 11.815) 11.985 4.948 ( 0.000 -2.111 9.568) 9.798 5.016 ( 0.000 5.530 -5.440) 7.757 5.098 ( 0.000 7.237 -6.642) 9.823 5.212 ( 0.000 3.306 -3.982) 5.176 5.289 ( 0.000 2.561 -9.204) 9.554 5.639 ( 0.000 7.258 6.358) 9.649 5.926 ( 0.000 6.685 7.924) 10.368 5.992 ( 0.000 6.895 5.627) 8.900 6.023 ( 0.000 2.686 5.379) 6.013 6.060 ( 0.000 11.473 -10.446) 15.516 6.302 ( 0.000 10.414 -6.603) 12.331 6.311 ( 0.000 6.250 -6.973) 9.364 6.445 ( 0.000 5.814 -12.461) 13.751 6.849 ( 0.000 -1.481 6.010) 6.190 6.957 ( 0.000 0.468 2.420) 2.465 7.128 ( 0.000 -0.617 -5.157) 5.194 7.130 ( 0.000 5.163 -4.731) 7.003 7.210 ( 0.000 3.382 2.502) 4.207 7.227 ( 0.000 -5.961 4.012) 7.185 7.367 ( 0.000 6.107 -0.564) 6.133 7.578 ( 0.000 -7.312 -10.980) 13.192 7.812 ( 0.000 -6.841 14.604) 16.127 8.028 ( 0.000 -5.916 7.241) 9.350 8.098 ( 0.000 5.851 12.726) 14.007 8.212 ( 0.000 -3.053 1.741) 3.515 8.341 ( 0.000 -4.318 -9.349) 10.298 8.560 ( 0.000 0.455 3.631) 3.660 8.598 ( 0.000 6.652 -11.810) 13.555 8.946 ( 0.000 0.557 -11.064) 11.078 9.161 ( 0.000 12.427 5.145) 13.450 9.389 ( 0.000 10.240 -7.048) 12.431 9.822 ( 0.000 -4.626 4.366) 6.361 9.892 ( 0.000 9.533 -2.941) 9.977 9.966 ( 0.000 -2.665 -3.046) 4.047 10.043 ( 0.000 11.519 -8.763) 14.474 10.573 ( 0.000 -1.865 5.758) 6.052 10.618 ( 0.000 -4.558 3.149) 5.540 11.109 ( 0.000 4.810 10.732) 11.760 11.268 ( 0.000 2.926 7.233) 7.803 11.642 ( 0.000 -3.080 -2.279) 3.832 11.740 ( 0.000 0.615 -5.534) 5.568 11.760 ( 0.000 -7.201 6.618) 9.781 11.816 ( 0.000 -4.333 2.833) 5.176 11.893 ( 0.000 -8.911 -1.747) 9.080 12.002 ( 0.000 -1.214 -4.614) 4.771 13.510 ( 0.000 0.266 9.141) 9.144 13.602 ( 0.000 -0.529 -1.816) 1.891 13.712 ( 0.000 0.670 -7.777) 7.805 13.816 ( 0.000 -4.011 -3.111) 5.076 14.254 ( 0.000 -2.815 3.264) 4.310 14.325 ( 0.000 -5.354 -1.290) 5.508 14.565 ( 0.000 -0.973 -12.219) 12.258 14.670 ( 0.000 -7.172 -13.746) 15.505 17.179 ( 0.000 5.092 6.635) 8.364 17.290 ( 0.000 2.753 1.250) 3.023 17.584 ( 0.000 7.307 -13.743) 15.565 17.629 ( 0.000 11.669 -15.762) 19.612 18.161 ( 0.000 -14.367 11.324) 18.293 18.304 ( 0.000 -16.531 17.177) 23.840 18.607 ( 0.000 -12.227 -11.033) 16.469 18.939 ( 0.000 -11.873 -15.595) 19.600 20.085 ( 0.000 10.718 24.613) 26.846 20.503 ( 0.000 -5.720 7.206) 9.200 20.565 ( 0.000 -6.419 10.009) 11.891 20.904 ( 0.000 5.434 -5.551) 7.768 21.202 ( 0.000 -8.537 24.852) 26.277 21.339 ( 0.000 1.190 1.738) 2.106 21.621 ( 0.000 6.051 -16.724) 17.785 22.200 ( 0.000 -8.023 -25.706) 26.929 24.684 ( 0.000 -0.663 5.257) 5.299 24.810 ( 0.000 3.212 -0.530) 3.256 24.812 ( 0.000 -4.035 1.647) 4.359 24.909 ( 0.000 1.044 -2.205) 2.439 24.914 ( 0.000 1.096 -0.692) 1.297 24.963 ( 0.000 -1.380 1.838) 2.298 25.030 ( 0.000 6.120 -4.306) 7.483 25.166 ( 0.000 3.816 -6.470) 7.512 ======================= Grid point 115 (46/60) ======================= q-point: ( 0.33 0.25 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 1.94e-05 1.94e-05 1.94e-05 1.94e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 122 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.451 ( -0.756 0.027 8.834) 8.867 1.472 ( -2.123 -1.014 7.848) 8.194 1.598 ( 2.216 -1.342 2.377) 3.516 1.605 ( 2.110 -0.429 -0.249) 2.167 1.719 ( 0.587 -0.473 -1.644) 1.809 1.730 ( -0.163 -0.597 -2.268) 2.351 1.746 ( 2.631 1.520 -1.868) 3.566 1.838 ( -4.381 0.927 -2.433) 5.097 2.063 ( 3.547 0.628 4.616) 5.855 2.145 ( 0.471 -0.387 2.809) 2.874 2.181 ( -2.192 3.173 7.579) 8.504 2.249 ( -4.617 3.114 -1.197) 5.696 2.369 ( 3.032 0.822 2.468) 3.994 2.438 ( -2.564 0.304 -0.851) 2.719 2.611 ( 8.631 0.016 4.368) 9.673 2.753 ( 0.951 7.383 -10.027) 12.488 2.790 ( -4.838 -0.986 5.482) 7.378 2.827 ( -3.790 5.876 -10.843) 12.902 2.919 ( 5.487 2.555 -3.599) 7.041 3.079 ( -7.946 0.460 -0.189) 7.962 3.615 ( 6.387 -5.465 8.053) 11.641 3.649 ( 6.406 -1.551 2.818) 7.168 3.745 ( -4.251 -3.397 8.301) 9.925 3.772 ( -4.737 -4.212 8.788) 10.835 3.928 ( 0.723 -2.928 5.857) 6.588 3.945 ( -0.575 -2.751 7.061) 7.599 4.354 ( 2.539 -12.178 -8.927) 15.311 4.378 ( 0.250 -10.563 -5.141) 11.750 4.577 ( -0.359 5.639 15.899) 16.873 4.602 ( -2.792 3.413 7.609) 8.794 4.855 ( 3.158 -1.776 10.350) 10.966 4.916 ( -2.474 -2.034 9.333) 9.867 5.037 ( 1.788 5.905 -5.272) 8.116 5.080 ( -1.773 6.890 -5.847) 9.209 5.229 ( 1.711 2.850 -4.806) 5.844 5.270 ( -1.680 2.546 -7.588) 8.178 5.706 ( 5.684 6.396 6.263) 10.604 5.845 ( -6.562 5.327 7.121) 11.052 6.007 ( 1.841 6.435 6.465) 9.306 6.028 ( 0.606 7.622 2.608) 8.079 6.105 ( 2.637 9.798 -7.186) 12.433 6.197 ( -5.806 9.847 -7.547) 13.697 6.363 ( 2.296 6.817 -7.693) 10.532 6.415 ( -2.259 5.473 -10.725) 12.251 6.907 ( 4.030 -2.597 2.854) 5.579 6.965 ( 1.450 2.103 -0.158) 2.559 7.038 ( -5.393 -1.470 0.019) 5.589 7.093 ( -5.407 1.517 0.699) 5.659 7.226 ( 6.111 4.206 0.582) 7.441 7.320 ( 3.918 0.219 -2.393) 4.596 7.396 ( 1.594 1.323 -3.848) 4.370 7.530 ( -5.682 -5.707 -7.793) 11.207 7.831 ( 3.233 -4.713 14.369) 15.464 7.951 ( -7.211 -0.666 13.063) 14.936 8.100 ( 6.824 -4.798 6.946) 10.856 8.256 ( -5.239 -4.092 5.085) 8.369 8.410 ( 6.632 0.153 -4.269) 7.889 8.495 ( -2.959 2.513 -2.399) 4.564 8.659 ( 5.148 5.099 -11.083) 13.242 8.825 ( -8.821 3.164 -10.851) 14.338 9.295 ( 10.679 9.152 2.933) 14.367 9.496 ( 7.606 7.224 -6.625) 12.407 9.569 ( -12.979 5.657 0.034) 14.158 9.712 ( -10.581 4.040 -5.296) 12.503 10.199 ( 10.842 3.455 0.253) 11.382 10.229 ( 10.846 2.653 -0.053) 11.166 10.468 ( -7.095 0.087 1.931) 7.353 10.522 ( -8.198 -2.185 0.118) 8.485 11.215 ( 7.170 0.540 11.596) 13.644 11.289 ( 0.697 -0.454 10.516) 10.549 11.581 ( -2.993 -1.697 -2.675) 4.359 11.621 ( -6.208 0.353 -3.650) 7.210 11.816 ( 1.294 -3.615 4.012) 5.553 11.822 ( 0.330 -3.769 3.333) 5.043 11.931 ( 2.768 -7.055 -2.494) 7.978 11.982 ( -1.798 -3.438 -4.003) 5.575 13.539 ( 2.780 -0.829 6.203) 6.848 13.623 ( -4.485 -1.543 -0.437) 4.763 13.675 ( 5.096 -0.306 -3.538) 6.211 13.797 ( -4.228 -0.869 -7.627) 8.764 14.254 ( 3.096 -4.752 3.704) 6.774 14.339 ( -2.462 -3.089 -1.234) 4.138 14.589 ( 3.059 -3.346 -12.091) 12.913 14.653 ( -1.965 -5.161 -13.729) 14.798 17.200 ( 2.001 3.977 5.983) 7.458 17.255 ( -2.729 2.760 3.385) 5.150 17.586 ( 0.460 8.263 -14.401) 16.610 17.609 ( -1.440 10.345 -15.378) 18.590 18.209 ( 3.778 -14.810 12.125) 19.510 18.282 ( -2.399 -16.145 15.103) 22.238 18.685 ( 6.935 -11.991 -12.347) 18.556 18.852 ( -7.353 -12.020 -14.519) 20.232 20.180 ( 8.588 9.310 22.807) 26.088 20.396 ( -9.572 0.493 15.431) 18.166 20.611 ( 4.358 -3.787 5.964) 8.301 20.755 ( -9.217 4.708 -1.526) 10.462 21.221 ( 3.121 -7.690 16.411) 18.390 21.301 ( -3.401 -2.074 6.121) 7.303 21.850 ( 15.004 0.610 -20.123) 25.108 22.111 ( -8.535 -5.611 -24.511) 26.554 24.697 ( 1.351 -0.308 4.991) 5.179 24.746 ( -3.192 0.464 3.434) 4.711 24.827 ( 0.643 -3.312 -0.692) 3.444 24.858 ( -2.343 -3.092 -1.167) 4.051 24.975 ( 3.244 4.418 -0.244) 5.486 25.017 ( -0.199 4.308 -2.756) 5.118 25.043 ( 3.901 2.889 -3.335) 5.889 25.130 ( -3.249 3.589 -5.614) 7.413 ======================= Grid point 117 (47/60) ======================= q-point: ( 0.00 0.38 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 1.94e-05 1.94e-05 1.94e-05 1.94e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.461 ( 0.000 -0.602 5.302) 5.336 1.485 ( 0.000 -0.815 1.611) 1.806 1.541 ( 0.000 -0.359 -0.477) 0.597 1.585 ( 0.000 -0.079 -2.178) 2.179 1.691 ( 0.000 0.514 -1.024) 1.145 1.732 ( 0.000 0.005 3.029) 3.029 1.776 ( 0.000 2.697 -1.266) 2.979 1.881 ( 0.000 -1.211 -1.597) 2.004 2.068 ( 0.000 2.256 3.119) 3.850 2.122 ( 0.000 -0.371 3.726) 3.745 2.284 ( 0.000 3.687 8.240) 9.027 2.314 ( 0.000 4.055 1.640) 4.374 2.471 ( 0.000 1.014 3.853) 3.984 2.485 ( 0.000 5.499 11.137) 12.421 2.513 ( 0.000 0.464 -8.054) 8.068 2.702 ( 0.000 -6.018 11.784) 13.232 2.877 ( 0.000 -0.690 -9.163) 9.189 2.963 ( 0.000 2.284 -0.176) 2.290 3.049 ( 0.000 11.904 -12.386) 17.179 3.132 ( 0.000 -4.947 4.375) 6.604 3.404 ( 0.000 -4.279 4.298) 6.064 3.614 ( 0.000 6.275 -7.106) 9.480 3.683 ( 0.000 -3.148 5.443) 6.287 3.787 ( 0.000 -4.643 7.248) 8.608 3.812 ( 0.000 -1.715 6.115) 6.351 3.951 ( 0.000 -0.488 -0.817) 0.951 4.044 ( 0.000 -10.768 -12.580) 16.559 4.118 ( 0.000 -13.351 -7.419) 15.274 4.688 ( 0.000 3.736 17.976) 18.360 4.718 ( 0.000 3.760 11.160) 11.777 4.774 ( 0.000 -1.285 15.017) 15.072 4.891 ( 0.000 -3.412 12.462) 12.921 5.140 ( 0.000 5.181 -6.079) 7.988 5.242 ( 0.000 6.014 -8.145) 10.124 5.247 ( 0.000 0.023 -5.639) 5.639 5.337 ( 0.000 1.583 -9.883) 10.009 5.818 ( 0.000 8.841 9.841) 13.229 6.052 ( 0.000 0.154 9.329) 9.330 6.074 ( 0.000 5.761 9.471) 11.085 6.127 ( 0.000 5.118 10.924) 12.064 6.294 ( 0.000 9.455 -11.534) 14.914 6.415 ( 0.000 3.126 -5.976) 6.744 6.524 ( 0.000 9.377 -7.727) 12.151 6.578 ( 0.000 5.892 -11.335) 12.775 6.807 ( 0.000 -1.220 3.558) 3.762 6.936 ( 0.000 -0.705 3.484) 3.555 7.051 ( 0.000 -9.095 -1.153) 9.168 7.069 ( 0.000 -4.377 -8.246) 9.336 7.243 ( 0.000 1.342 -3.539) 3.785 7.253 ( 0.000 -0.066 6.500) 6.500 7.478 ( 0.000 3.795 -2.356) 4.466 7.492 ( 0.000 0.711 -12.262) 12.282 7.742 ( 0.000 1.043 11.895) 11.941 7.906 ( 0.000 -5.248 10.374) 11.626 8.132 ( 0.000 -3.581 3.657) 5.118 8.179 ( 0.000 -2.896 -1.935) 3.483 8.311 ( 0.000 5.750 2.803) 6.397 8.559 ( 0.000 -1.823 1.752) 2.529 8.755 ( 0.000 7.391 -12.246) 14.303 8.936 ( 0.000 -1.321 -11.836) 11.910 9.412 ( 0.000 10.013 6.249) 11.803 9.591 ( 0.000 9.273 -4.980) 10.526 9.710 ( 0.000 -5.734 6.176) 8.427 9.900 ( 0.000 -3.972 -4.969) 6.362 10.141 ( 0.000 13.014 -0.731) 13.035 10.269 ( 0.000 8.791 -7.068) 11.280 10.486 ( 0.000 -4.849 5.527) 7.353 10.546 ( 0.000 -3.875 2.724) 4.736 11.163 ( 0.000 3.231 13.558) 13.938 11.391 ( 0.000 5.664 11.800) 13.089 11.576 ( 0.000 -9.647 7.521) 12.232 11.592 ( 0.000 0.020 -6.573) 6.573 11.622 ( 0.000 -12.525 2.626) 12.798 11.756 ( 0.000 -3.933 0.130) 3.935 11.762 ( 0.000 1.432 -6.504) 6.660 11.932 ( 0.000 -5.113 -4.487) 6.802 13.539 ( 0.000 2.551 6.920) 7.376 13.599 ( 0.000 0.184 -0.041) 0.189 13.717 ( 0.000 -0.697 -6.013) 6.053 13.731 ( 0.000 -3.436 0.214) 3.443 14.219 ( 0.000 -0.951 -1.864) 2.092 14.228 ( 0.000 -3.091 0.347) 3.110 14.546 ( 0.000 -0.990 -13.758) 13.793 14.548 ( 0.000 -3.531 -13.967) 14.407 17.346 ( 0.000 10.446 11.071) 15.222 17.389 ( 0.000 6.894 5.059) 8.551 17.767 ( 0.000 10.236 -14.834) 18.023 17.854 ( 0.000 -14.047 10.677) 17.644 17.929 ( 0.000 15.933 -18.492) 24.410 17.946 ( 0.000 -16.575 17.645) 24.209 18.320 ( 0.000 -14.316 -13.861) 19.927 18.639 ( 0.000 -15.848 -18.606) 24.440 20.329 ( 0.000 11.675 19.643) 22.851 20.420 ( 0.000 -1.601 13.608) 13.702 20.448 ( 0.000 -4.172 14.186) 14.787 20.875 ( 0.000 -10.093 1.221) 10.167 21.135 ( 0.000 4.150 16.235) 16.757 21.325 ( 0.000 -2.364 1.465) 2.781 21.767 ( 0.000 7.162 -18.087) 19.453 22.046 ( 0.000 -6.554 -21.972) 22.928 24.664 ( 0.000 -0.668 4.758) 4.804 24.723 ( 0.000 -3.723 3.542) 5.138 24.830 ( 0.000 -0.247 -4.459) 4.466 24.873 ( 0.000 -2.482 -4.286) 4.952 24.974 ( 0.000 3.007 3.360) 4.509 24.990 ( 0.000 1.845 4.101) 4.496 25.148 ( 0.000 4.615 -4.628) 6.536 25.224 ( 0.000 1.328 -6.498) 6.632 ======================= Grid point 118 (48/60) ======================= q-point: ( 0.33 0.38 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 1.94e-05 1.94e-05 1.94e-05 1.94e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.449 ( -0.126 0.105 4.874) 4.877 1.467 ( -1.517 0.066 2.971) 3.337 1.561 ( 1.582 -1.656 -1.456) 2.714 1.588 ( -0.559 -1.695 -2.862) 3.373 1.720 ( 2.106 1.072 -0.129) 2.366 1.737 ( 0.226 0.753 1.537) 1.727 1.791 ( 1.712 2.347 -1.588) 3.311 1.852 ( -2.844 0.134 -2.123) 3.552 2.087 ( 2.292 1.187 2.836) 3.835 2.134 ( -0.559 -0.190 3.188) 3.242 2.259 ( 0.017 4.020 3.206) 5.141 2.302 ( -2.425 2.432 -3.351) 4.798 2.444 ( 0.886 5.206 9.315) 10.708 2.483 ( -1.596 3.586 7.334) 8.318 2.587 ( 5.234 -2.327 6.890) 8.960 2.686 ( -2.890 -6.117 13.056) 14.704 2.862 ( 0.601 0.310 -6.491) 6.526 2.914 ( -3.336 0.507 -5.495) 6.449 3.069 ( 1.421 10.187 -7.885) 12.960 3.112 ( -2.227 4.958 -5.188) 7.514 3.458 ( 5.647 -7.794 6.313) 11.510 3.604 ( -5.548 -4.740 1.145) 7.386 3.683 ( 1.617 -0.123 2.192) 2.727 3.726 ( -0.330 0.810 3.540) 3.646 3.883 ( 2.366 -1.387 2.891) 3.985 3.925 ( -1.849 -0.418 1.029) 2.157 4.072 ( 2.052 -12.211 -11.335) 16.787 4.108 ( -1.073 -13.378 -9.062) 16.193 4.670 ( -0.961 2.477 15.965) 16.185 4.678 ( -1.344 2.990 16.370) 16.695 4.839 ( 3.305 0.163 12.886) 13.304 4.885 ( -0.985 -1.140 12.121) 12.214 5.162 ( 2.168 5.230 -6.296) 8.467 5.218 ( -2.333 5.585 -7.560) 9.685 5.264 ( 1.748 0.407 -6.100) 6.358 5.312 ( -2.155 1.125 -8.443) 8.786 5.853 ( 3.340 6.593 10.388) 12.749 5.957 ( -6.235 4.477 11.087) 13.485 6.116 ( 4.960 3.261 7.972) 9.939 6.183 ( 0.364 6.651 7.771) 10.235 6.315 ( 1.916 8.349 -9.423) 12.735 6.377 ( -3.339 5.875 -6.203) 9.173 6.513 ( 0.112 6.961 -8.457) 10.954 6.542 ( -2.506 6.026 -8.563) 10.766 6.834 ( 2.977 -3.132 1.485) 4.569 6.927 ( -5.454 -5.212 -0.745) 7.580 7.015 ( 4.745 -0.338 -0.114) 4.758 7.102 ( -2.248 -0.659 -5.127) 5.637 7.250 ( 1.971 -3.906 2.653) 5.117 7.273 ( 0.889 -2.897 -0.876) 3.155 7.454 ( -1.152 3.414 -5.337) 6.440 7.473 ( -2.043 1.350 -10.253) 10.541 7.785 ( 4.745 0.051 12.110) 13.007 7.932 ( -7.459 -1.879 10.537) 13.046 8.022 ( 7.125 -2.163 8.371) 11.204 8.208 ( -7.902 -0.249 3.081) 8.485 8.387 ( 9.560 -1.428 0.625) 9.686 8.540 ( -3.714 0.825 -2.717) 4.675 8.773 ( 3.094 4.971 -13.515) 14.729 8.875 ( -5.034 1.696 -12.802) 13.860 9.480 ( 5.742 6.756 5.126) 10.241 9.615 ( -4.541 1.473 2.533) 5.404 9.663 ( 3.063 5.450 -2.824) 6.860 9.790 ( -6.921 3.383 -4.432) 8.887 10.281 ( 8.918 4.583 1.087) 10.085 10.335 ( 5.397 5.026 -2.279) 7.719 10.435 ( -4.644 -2.250 4.388) 6.774 10.476 ( -5.925 -2.351 1.716) 6.601 11.222 ( 4.780 2.043 11.722) 12.822 11.328 ( -4.711 1.876 11.049) 12.157 11.546 ( -0.734 -0.808 -1.734) 2.048 11.563 ( -1.870 -4.641 1.138) 5.132 11.702 ( 4.135 -9.174 0.544) 10.078 11.750 ( -0.689 -3.607 -1.428) 3.940 11.798 ( 3.178 -2.007 -1.626) 4.095 11.885 ( -4.018 -4.591 -3.080) 6.834 13.528 ( 0.562 -0.118 5.393) 5.424 13.583 ( -4.571 -2.047 2.249) 5.490 13.684 ( 5.477 1.144 -2.052) 5.959 13.795 ( -2.575 0.429 -8.030) 8.444 14.165 ( 4.015 -3.404 3.979) 6.599 14.294 ( -3.845 -1.072 -3.275) 5.163 14.515 ( 2.804 -3.148 -12.119) 12.831 14.578 ( -1.096 -1.924 -14.609) 14.776 17.336 ( -0.246 8.615 10.564) 13.633 17.357 ( -2.063 6.861 7.624) 10.463 17.792 ( 2.484 10.999 -15.433) 19.113 17.857 ( -2.352 5.720 -8.934) 10.866 17.909 ( 0.969 -6.395 3.538) 7.372 17.940 ( -0.961 -14.972 14.343) 20.755 18.405 ( 6.981 -13.639 -15.305) 21.656 18.562 ( -6.588 -14.849 -17.493) 23.872 20.324 ( 1.027 2.835 18.247) 18.494 20.374 ( -3.148 -1.518 15.744) 16.128 20.607 ( 12.516 4.998 11.705) 17.851 20.897 ( -10.379 6.773 -5.930) 13.739 21.034 ( 5.110 -8.790 23.040) 25.184 21.225 ( -8.577 -5.146 5.036) 11.199 21.890 ( 8.032 2.742 -20.021) 21.745 22.016 ( -3.367 -3.375 -21.977) 22.488 24.679 ( 1.462 -0.873 4.205) 4.537 24.717 ( -1.095 -2.314 3.293) 4.170 24.772 ( -1.936 -1.698 -0.681) 2.663 24.800 ( -3.547 -2.097 -0.039) 4.120 25.057 ( 4.074 2.779 -0.028) 4.932 25.078 ( 5.350 2.145 -2.178) 6.162 25.132 ( -1.184 3.869 -3.251) 5.190 25.190 ( -3.234 1.698 -5.270) 6.412 ======================= Grid point 120 (49/60) ======================= q-point: ( 0.00 -0.50 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 1.94e-05 1.94e-05 1.94e-05 1.94e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 52 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.467 ( 0.000 -0.821 2.439) 2.573 1.467 ( 0.000 0.821 2.439) 2.573 1.554 ( 0.000 -1.601 -3.566) 3.909 1.554 ( 0.000 1.601 -3.566) 3.909 1.719 ( 0.000 -1.297 2.407) 2.735 1.719 ( 0.000 1.297 2.407) 2.735 1.837 ( 0.000 -2.706 -0.807) 2.823 1.837 ( 0.000 2.706 -0.807) 2.823 2.103 ( 0.000 -0.992 3.099) 3.254 2.103 ( 0.000 0.992 3.099) 3.254 2.390 ( 0.000 -3.006 -2.826) 4.126 2.390 ( 0.000 3.006 -2.825) 4.126 2.468 ( 0.000 -3.057 10.712) 11.139 2.468 ( 0.000 3.057 10.712) 11.139 2.588 ( 0.000 -3.900 12.613) 13.202 2.588 ( 0.000 3.900 12.613) 13.202 2.909 ( 0.000 -4.970 -6.010) 7.798 2.909 ( 0.000 4.970 -6.010) 7.798 3.132 ( 0.000 -3.568 -4.206) 5.516 3.132 ( 0.000 3.568 -4.206) 5.516 3.496 ( 0.000 -11.837 1.373) 11.917 3.496 ( 0.000 11.837 1.373) 11.917 3.768 ( 0.000 -0.410 0.572) 0.704 3.768 ( 0.000 0.410 0.572) 0.704 3.827 ( 0.000 -11.740 -6.885) 13.610 3.827 ( 0.000 11.740 -6.885) 13.610 3.945 ( 0.000 -0.766 -4.043) 4.115 3.945 ( 0.000 0.766 -4.043) 4.115 4.743 ( 0.000 -1.739 16.974) 17.063 4.743 ( 0.000 1.739 16.974) 17.063 4.807 ( 0.000 -4.305 13.438) 14.110 4.807 ( 0.000 4.306 13.438) 14.110 5.220 ( 0.000 -2.471 -6.454) 6.911 5.220 ( 0.000 2.471 -6.454) 6.911 5.334 ( 0.000 -2.223 -9.905) 10.152 5.334 ( 0.000 2.223 -9.905) 10.152 5.983 ( 0.000 -5.573 11.163) 12.477 5.983 ( 0.000 5.573 11.163) 12.477 6.168 ( 0.000 -0.730 12.638) 12.659 6.168 ( 0.000 0.730 12.638) 12.659 6.425 ( 0.000 -2.552 -8.554) 8.927 6.425 ( 0.000 2.552 -8.554) 8.927 6.645 ( 0.000 -0.836 -8.607) 8.648 6.645 ( 0.000 0.836 -8.607) 8.648 6.856 ( 0.000 -6.142 -0.203) 6.145 6.856 ( 0.000 6.142 -0.203) 6.145 6.980 ( 0.000 -2.562 -2.664) 3.696 6.980 ( 0.000 2.562 -2.664) 3.696 7.234 ( 0.000 -0.027 0.649) 0.650 7.234 ( 0.000 0.027 0.649) 0.650 7.526 ( 0.000 -0.105 -7.975) 7.976 7.526 ( 0.000 0.105 -7.975) 7.976 7.810 ( 0.000 -3.426 10.571) 11.112 7.810 ( 0.000 3.426 10.571) 11.112 8.103 ( 0.000 -0.523 -1.330) 1.429 8.103 ( 0.000 0.523 -1.330) 1.429 8.465 ( 0.000 -5.710 4.683) 7.385 8.465 ( 0.000 5.710 4.683) 7.385 8.882 ( 0.000 -3.946 -12.252) 12.872 8.882 ( 0.000 3.946 -12.252) 12.872 9.581 ( 0.000 -6.556 7.037) 9.617 9.581 ( 0.000 6.556 7.037) 9.617 9.778 ( 0.000 -7.636 -5.364) 9.331 9.778 ( 0.000 7.636 -5.364) 9.331 10.382 ( 0.000 -7.018 1.946) 7.283 10.382 ( 0.000 7.018 1.946) 7.283 10.415 ( 0.000 -7.115 -0.266) 7.120 10.415 ( 0.000 7.115 -0.266) 7.120 11.320 ( 0.000 -11.450 9.341) 14.777 11.320 ( 0.000 11.450 9.341) 14.777 11.463 ( 0.000 -3.523 7.869) 8.622 11.463 ( 0.000 3.523 7.869) 8.622 11.665 ( 0.000 -4.573 -3.503) 5.761 11.665 ( 0.000 4.573 -3.503) 5.761 11.819 ( 0.000 -4.239 -4.665) 6.304 11.819 ( 0.000 4.239 -4.665) 6.304 13.595 ( 0.000 -0.892 2.668) 2.813 13.595 ( 0.000 0.892 2.668) 2.813 13.692 ( 0.000 -0.025 -1.036) 1.036 13.692 ( 0.000 0.025 -1.036) 1.036 14.203 ( 0.000 -0.029 -1.300) 1.300 14.203 ( 0.000 0.029 -1.300) 1.300 14.524 ( 0.000 -0.208 -14.313) 14.315 14.524 ( 0.000 0.208 -14.313) 14.315 17.580 ( 0.000 -11.130 8.512) 14.011 17.580 ( 0.000 11.130 8.512) 14.011 17.616 ( 0.000 -13.969 15.061) 20.542 17.616 ( 0.000 13.969 15.061) 20.542 18.020 ( 0.000 -13.397 -15.040) 20.141 18.020 ( 0.000 13.397 -15.040) 20.141 18.285 ( 0.000 -17.098 -19.556) 25.977 18.285 ( 0.000 17.098 -19.556) 25.977 20.395 ( 0.000 -0.586 14.990) 15.001 20.395 ( 0.000 0.586 14.990) 15.001 20.612 ( 0.000 -13.103 13.509) 18.820 20.612 ( 0.000 13.103 13.509) 18.820 21.246 ( 0.000 -4.877 4.997) 6.983 21.246 ( 0.000 4.878 4.997) 6.983 21.911 ( 0.000 -6.362 -19.465) 20.479 21.911 ( 0.000 6.362 -19.465) 20.479 24.669 ( 0.000 -1.284 4.415) 4.598 24.669 ( 0.000 1.284 4.415) 4.598 24.834 ( 0.000 -0.850 -4.477) 4.557 24.834 ( 0.000 0.850 -4.477) 4.557 25.009 ( 0.000 -0.240 3.902) 3.909 25.009 ( 0.000 0.240 3.902) 3.909 25.218 ( 0.000 -1.808 -5.510) 5.799 25.218 ( 0.000 1.808 -5.510) 5.799 ======================= Grid point 122 (50/60) ======================= q-point: ( 0.33 -0.50 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 1.94e-05 1.94e-05 1.94e-05 1.94e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 76 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.454 ( 0.012 0.000 2.647) 2.647 1.468 ( -0.854 0.000 1.898) 2.082 1.544 ( 0.325 0.000 -2.679) 2.699 1.558 ( -0.522 -0.000 -3.439) 3.478 1.742 ( 1.454 0.000 0.949) 1.736 1.743 ( 1.561 -0.000 2.200) 2.698 1.830 ( -0.118 -0.000 -1.797) 1.801 1.841 ( -0.590 0.000 -1.602) 1.707 2.099 ( 1.638 -0.000 2.560) 3.039 2.132 ( 0.124 0.000 2.882) 2.884 2.326 ( -1.860 0.000 -4.540) 4.906 2.346 ( -3.239 0.000 -6.934) 7.653 2.515 ( 3.199 -0.000 17.151) 17.447 2.531 ( 2.069 0.000 17.428) 17.550 2.567 ( -0.611 -0.000 14.028) 14.042 2.578 ( -1.616 0.000 7.479) 7.652 2.846 ( -0.042 0.000 -1.919) 1.920 2.895 ( -3.474 0.000 -5.210) 6.262 3.199 ( 4.268 0.000 -6.627) 7.883 3.228 ( 5.576 0.000 -9.391) 10.922 3.383 ( -3.099 0.000 5.687) 6.477 3.476 ( -6.512 -0.000 1.228) 6.627 3.724 ( 2.135 0.000 -6.489) 6.831 3.790 ( -2.803 -0.000 -6.866) 7.416 3.851 ( 1.973 0.000 0.238) 1.987 3.876 ( 2.338 0.000 -3.670) 4.352 3.917 ( -0.536 0.000 -2.116) 2.182 3.946 ( -1.028 0.000 -4.127) 4.253 4.695 ( -1.135 0.000 16.306) 16.345 4.710 ( -2.040 0.000 17.640) 17.758 4.851 ( 2.504 0.000 14.418) 14.634 4.865 ( 1.813 0.000 11.956) 12.093 5.242 ( 2.356 0.000 -6.680) 7.083 5.245 ( 2.124 -0.000 -7.360) 7.660 5.303 ( -2.622 0.002 -8.019) 8.437 5.304 ( -2.714 -0.002 -9.057) 9.454 5.936 ( 0.736 0.000 12.589) 12.610 6.008 ( -5.718 0.000 13.194) 14.380 6.146 ( 8.307 0.000 8.913) 12.184 6.266 ( -0.388 0.000 9.745) 9.753 6.414 ( 0.300 0.000 -8.181) 8.187 6.433 ( -0.452 -0.000 -4.277) 4.301 6.606 ( -1.323 0.000 -11.897) 11.970 6.620 ( -2.402 0.000 -6.199) 6.648 6.819 ( -1.078 0.000 -0.539) 1.206 6.829 ( -1.357 -0.000 -0.017) 1.357 7.011 ( 4.997 0.000 -3.438) 6.066 7.089 ( 1.637 -0.000 -8.428) 8.586 7.184 ( -1.012 0.000 6.684) 6.760 7.225 ( -1.819 0.000 0.829) 1.999 7.504 ( -1.212 -0.000 -8.970) 9.052 7.505 ( -1.320 0.000 -10.260) 10.344 7.790 ( 3.017 0.000 11.172) 11.572 7.901 ( -5.422 0.000 10.030) 11.401 8.001 ( 8.259 0.000 7.664) 11.268 8.214 ( -7.949 0.000 -2.880) 8.455 8.373 ( 8.019 0.000 7.165) 10.754 8.540 ( -3.320 0.000 -1.179) 3.523 8.835 ( 0.971 0.000 -14.660) 14.692 8.893 ( -2.092 0.000 -13.305) 13.468 9.573 ( 0.041 0.000 6.068) 6.068 9.582 ( -0.491 -0.000 7.376) 7.392 9.787 ( 1.042 -0.000 -4.100) 4.230 9.795 ( 0.546 0.000 -6.067) 6.092 10.367 ( -0.077 -0.000 5.260) 5.260 10.375 ( -1.166 0.000 1.841) 2.179 10.419 ( 0.925 0.000 0.727) 1.176 10.427 ( -0.173 0.000 0.652) 0.675 11.301 ( -0.369 -0.000 8.433) 8.441 11.313 ( -0.906 0.000 5.825) 5.895 11.512 ( 3.267 -0.000 8.454) 9.063 11.519 ( 4.002 0.000 8.595) 9.481 11.603 ( -1.646 0.000 -4.663) 4.945 11.672 ( -4.821 0.000 -5.880) 7.603 11.787 ( 2.008 0.000 -2.881) 3.512 11.835 ( -1.268 -0.000 -3.253) 3.491 13.532 ( -1.459 0.000 4.449) 4.683 13.553 ( -3.649 0.000 3.674) 5.178 13.704 ( 5.405 0.000 -1.774) 5.689 13.800 ( -1.175 0.000 -8.478) 8.559 14.125 ( 4.473 0.000 5.201) 6.860 14.285 ( -5.341 0.000 -4.334) 6.878 14.480 ( 3.786 0.000 -11.870) 12.459 14.559 ( -1.411 0.000 -14.778) 14.845 17.488 ( -2.320 0.000 11.992) 12.214 17.504 ( -3.804 0.000 15.149) 15.619 17.681 ( 3.254 0.000 8.626) 9.219 17.699 ( 1.675 -0.000 11.621) 11.741 18.034 ( 1.256 0.000 -16.219) 16.267 18.040 ( 0.983 -0.000 -13.909) 13.944 18.258 ( -1.384 -0.001 -20.512) 20.559 18.263 ( -1.626 0.001 -18.669) 18.740 20.337 ( -1.254 0.000 16.523) 16.570 20.357 ( -2.681 0.000 16.732) 16.946 20.771 ( 13.266 -0.000 10.713) 17.052 20.807 ( 13.271 0.000 6.521) 14.787 21.072 ( -12.991 -0.000 11.159) 17.126 21.104 ( -12.521 0.000 7.025) 14.358 21.943 ( 2.717 0.000 -20.508) 20.687 21.961 ( 1.568 -0.000 -20.424) 20.484 24.670 ( 0.864 -0.000 3.776) 3.873 24.686 ( 0.743 0.000 3.666) 3.740 24.753 ( -3.197 0.000 -0.842) 3.306 24.776 ( -3.795 0.000 0.036) 3.796 25.086 ( 4.805 0.000 0.193) 4.809 25.103 ( 5.325 0.000 -1.738) 5.602 25.181 ( -2.589 -0.000 -3.599) 4.433 25.202 ( -2.373 0.000 -4.646) 5.217 ======================= Grid point 135 (51/60) ======================= q-point: ( 0.00 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 1.94e-05 1.94e-05 1.94e-05 1.94e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 30 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.602 ( 0.000 0.000 -2.616) 2.616 1.602 ( 0.000 0.000 2.616) 2.616 1.651 ( 0.000 0.000 -7.158) 7.158 1.651 ( 0.000 0.000 7.158) 7.158 1.665 ( 0.000 0.000 -1.994) 1.994 1.665 ( 0.000 0.000 1.994) 1.994 1.807 ( 0.000 0.000 -0.150) 0.150 1.807 ( 0.000 0.000 0.150) 0.150 2.166 ( 0.000 0.000 -7.245) 7.245 2.166 ( 0.000 0.000 7.245) 7.245 2.223 ( 0.000 0.000 -6.497) 6.497 2.223 ( 0.000 0.000 6.497) 6.497 2.383 ( 0.000 0.000 -4.747) 4.747 2.383 ( 0.000 0.000 4.747) 4.747 2.451 ( 0.000 0.000 -2.258) 2.258 2.451 ( 0.000 0.000 2.258) 2.258 2.612 ( 0.000 0.000 -11.812) 11.812 2.612 ( 0.000 0.000 11.812) 11.812 3.062 ( 0.000 0.000 -8.375) 8.375 3.062 ( 0.000 0.000 8.375) 8.375 3.700 ( 0.000 0.000 -0.907) 0.907 3.700 ( 0.000 0.000 0.907) 0.907 3.949 ( 0.000 0.000 -1.006) 1.006 3.949 ( 0.000 0.000 1.006) 1.006 4.362 ( 0.000 0.000 -16.567) 16.567 4.362 ( 0.000 0.000 16.567) 16.567 4.529 ( 0.000 0.000 -8.162) 8.162 4.529 ( 0.000 0.000 8.162) 8.162 4.633 ( 0.000 0.000 -15.240) 15.240 4.633 ( 0.000 0.000 15.240) 15.240 4.701 ( 0.000 0.000 -16.677) 16.677 4.701 ( 0.000 0.000 16.677) 16.677 5.035 ( 0.000 0.000 -4.149) 4.149 5.035 ( 0.000 0.000 4.149) 4.149 5.046 ( 0.000 0.000 -3.120) 3.120 5.046 ( 0.000 0.000 3.120) 3.120 5.592 ( 0.000 0.000 -7.187) 7.187 5.592 ( 0.000 0.000 7.187) 7.187 5.926 ( 0.000 0.000 -9.193) 9.193 5.926 ( 0.000 0.000 9.193) 9.193 5.937 ( 0.000 0.000 -5.776) 5.776 5.937 ( 0.000 0.000 5.776) 5.776 6.077 ( 0.000 0.000 -9.639) 9.639 6.077 ( 0.000 0.000 9.639) 9.639 6.937 ( 0.000 0.000 -7.984) 7.984 6.937 ( 0.000 0.000 7.984) 7.984 6.961 ( 0.000 0.000 -7.625) 7.625 6.961 ( 0.000 0.000 7.625) 7.625 7.173 ( 0.000 0.000 -2.342) 2.342 7.173 ( 0.000 0.000 2.342) 2.342 7.574 ( 0.000 0.000 -11.172) 11.172 7.574 ( 0.000 0.000 11.172) 11.172 8.222 ( 0.000 0.000 -1.425) 1.425 8.222 ( 0.000 0.000 1.425) 1.425 8.225 ( 0.000 0.000 -9.065) 9.065 8.225 ( 0.000 0.000 9.065) 9.065 8.316 ( 0.000 0.000 -10.729) 10.729 8.316 ( 0.000 0.000 10.729) 10.729 8.744 ( 0.000 0.000 -5.785) 5.785 8.744 ( 0.000 0.000 5.785) 5.785 8.929 ( 0.000 0.000 -1.001) 1.001 8.929 ( 0.000 0.000 1.001) 1.001 9.641 ( 0.000 0.000 -2.883) 2.883 9.641 ( 0.000 0.000 2.883) 2.883 9.983 ( 0.000 0.000 -2.656) 2.656 9.983 ( 0.000 0.000 2.656) 2.656 10.700 ( 0.000 0.000 -4.514) 4.514 10.700 ( 0.000 0.000 4.514) 4.514 11.081 ( 0.000 0.000 -8.385) 8.385 11.081 ( 0.000 0.000 8.385) 8.385 11.743 ( 0.000 0.000 -0.639) 0.639 11.743 ( 0.000 0.000 0.639) 0.639 11.901 ( 0.000 0.000 -0.128) 0.128 11.901 ( 0.000 0.000 0.128) 0.128 12.023 ( 0.000 0.000 -3.489) 3.489 12.023 ( 0.000 0.000 3.489) 3.489 13.607 ( 0.000 0.000 -1.801) 1.801 13.607 ( 0.000 0.000 1.801) 1.801 13.715 ( 0.000 0.000 -10.351) 10.351 13.715 ( 0.000 0.000 10.351) 10.351 14.475 ( 0.000 0.000 -4.422) 4.422 14.475 ( 0.000 0.000 4.422) 4.422 14.630 ( 0.000 0.000 -12.678) 12.678 14.630 ( 0.000 0.000 12.678) 12.678 17.184 ( 0.000 0.000 -4.341) 4.341 17.184 ( 0.000 0.000 4.341) 4.341 17.276 ( 0.000 0.000 -5.795) 5.795 17.276 ( 0.000 0.000 5.795) 5.795 18.729 ( 0.000 0.000 -8.886) 8.886 18.729 ( 0.000 0.000 8.886) 8.886 18.990 ( 0.000 0.000 -10.299) 10.299 18.990 ( 0.000 0.000 10.299) 10.299 20.317 ( 0.000 0.000 -24.369) 24.369 20.317 ( 0.000 0.000 24.369) 24.369 20.752 ( 0.000 0.000 -1.397) 1.397 20.752 ( 0.000 0.000 1.397) 1.397 21.383 ( 0.000 0.000 -4.107) 4.107 21.383 ( 0.000 0.000 4.107) 4.107 21.900 ( 0.000 0.000 -26.815) 26.815 21.900 ( 0.000 0.000 26.815) 26.815 24.713 ( 0.000 0.000 -6.765) 6.765 24.713 ( 0.000 0.000 6.765) 6.765 24.831 ( 0.000 0.000 -0.479) 0.479 24.831 ( 0.000 0.000 0.479) 0.479 24.859 ( 0.000 0.000 -4.278) 4.278 24.859 ( 0.000 0.000 4.278) 4.278 25.040 ( 0.000 0.000 -0.093) 0.093 25.040 ( 0.000 0.000 0.093) 0.093 ======================= Grid point 137 (52/60) ======================= q-point: ( 0.33 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 1.94e-05 1.94e-05 1.94e-05 1.94e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 45 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.632 ( 2.129 0.000 -1.660) 2.700 1.632 ( 2.129 0.000 1.660) 2.700 1.653 ( 0.384 0.000 -2.160) 2.194 1.653 ( 0.384 0.000 2.160) 2.194 1.710 ( 2.809 0.000 -0.658) 2.885 1.710 ( 2.809 0.000 0.658) 2.885 1.774 ( -2.837 0.000 -0.013) 2.837 1.774 ( -2.837 0.000 0.013) 2.837 2.156 ( -0.092 0.000 -0.964) 0.968 2.156 ( -0.092 0.000 0.964) 0.968 2.186 ( -2.340 0.000 -3.302) 4.047 2.186 ( -2.340 0.000 3.302) 4.047 2.378 ( 0.294 0.000 -1.731) 1.755 2.378 ( 0.294 0.000 1.731) 1.755 2.408 ( -2.386 0.000 -2.512) 3.465 2.408 ( -2.386 0.000 2.512) 3.465 2.757 ( 10.186 0.000 -9.025) 13.609 2.757 ( 10.186 0.000 9.025) 13.609 2.964 ( -8.289 0.000 -8.075) 11.573 2.964 ( -8.289 0.000 8.075) 11.573 3.768 ( 5.479 0.000 -1.218) 5.613 3.768 ( 5.479 0.000 1.218) 5.613 3.889 ( -5.067 0.000 -1.083) 5.181 3.889 ( -5.067 0.000 1.083) 5.181 4.407 ( 3.775 0.000 -15.520) 15.973 4.407 ( 3.775 0.000 15.520) 15.973 4.493 ( -3.498 0.000 -12.958) 13.422 4.493 ( -3.498 0.000 12.958) 13.422 4.640 ( 1.228 0.000 -18.066) 18.107 4.640 ( 1.228 0.000 18.066) 18.107 4.679 ( -1.841 0.000 -17.371) 17.468 4.679 ( -1.841 0.000 17.371) 17.468 5.050 ( 0.892 0.000 -4.444) 4.532 5.050 ( 0.892 0.000 4.444) 4.532 5.055 ( 0.426 0.000 -2.687) 2.720 5.055 ( 0.426 0.000 2.687) 2.720 5.655 ( 5.958 0.000 -6.187) 8.590 5.655 ( 5.958 0.000 6.187) 8.590 5.815 ( -7.763 0.000 -5.690) 9.625 5.815 ( -7.763 0.000 5.690) 9.625 5.989 ( 2.897 0.000 -9.580) 10.008 5.989 ( 2.897 0.000 9.580) 10.008 6.048 ( -2.404 0.000 -10.196) 10.475 6.048 ( -2.404 0.000 10.196) 10.475 6.894 ( 3.339 0.000 -3.450) 4.801 6.894 ( 3.339 0.000 3.450) 4.801 7.045 ( -9.137 0.000 -0.366) 9.145 7.045 ( -9.137 0.000 0.366) 9.145 7.212 ( 14.515 0.000 -10.483) 17.905 7.212 ( 14.515 0.000 10.483) 17.905 7.487 ( -9.429 0.000 -11.260) 14.686 7.487 ( -9.429 0.000 11.260) 14.686 8.180 ( 0.304 0.000 -7.126) 7.133 8.180 ( 0.304 0.000 7.126) 7.133 8.213 ( -1.754 0.000 -9.028) 9.197 8.213 ( -1.754 0.000 9.028) 9.197 8.442 ( 8.092 0.000 -0.873) 8.139 8.442 ( 8.092 0.000 0.873) 8.139 8.616 ( -8.048 0.000 -3.222) 8.669 8.616 ( -8.048 0.000 3.222) 8.669 9.121 ( 13.442 0.000 -0.664) 13.458 9.121 ( 13.442 0.000 0.664) 13.458 9.428 ( -14.520 0.000 -0.049) 14.521 9.428 ( -14.520 0.000 0.049) 14.521 10.184 ( 13.598 0.000 -1.277) 13.657 10.184 ( 13.598 0.000 1.277) 13.657 10.484 ( -14.227 0.000 -4.229) 14.842 10.484 ( -14.227 0.000 4.229) 14.842 11.316 ( 15.512 0.000 -6.012) 16.637 11.316 ( 15.512 0.000 6.012) 16.637 11.614 ( -11.213 0.000 -2.068) 11.402 11.614 ( -11.213 0.000 2.068) 11.402 11.935 ( 2.684 0.000 -1.125) 2.910 11.935 ( 2.684 0.000 1.125) 2.910 11.995 ( -2.467 0.000 -2.751) 3.695 11.995 ( -2.467 0.000 2.751) 3.695 13.633 ( 2.208 0.000 -1.121) 2.476 13.633 ( 2.208 0.000 1.121) 2.476 13.686 ( -2.389 0.000 -7.080) 7.472 13.686 ( -2.389 0.000 7.080) 7.472 14.514 ( 3.331 0.000 -6.935) 7.694 14.514 ( 3.331 0.000 6.935) 7.694 14.591 ( -3.302 0.000 -10.993) 11.478 14.591 ( -3.302 0.000 10.993) 11.478 17.210 ( 2.129 0.000 -4.683) 5.144 17.210 ( 2.129 0.000 4.683) 5.144 17.256 ( -1.794 0.000 -5.393) 5.684 17.256 ( -1.794 0.000 5.393) 5.684 18.796 ( 5.757 0.000 -9.719) 11.296 18.796 ( 5.757 0.000 9.719) 11.296 18.928 ( -5.463 0.000 -10.512) 11.847 18.928 ( -5.463 0.000 10.512) 11.847 20.376 ( 5.859 0.000 -21.743) 22.519 20.376 ( 5.859 0.000 21.743) 22.519 20.569 ( -11.740 0.000 -12.289) 16.996 20.569 ( -11.740 0.000 12.289) 16.996 21.580 ( 13.188 0.000 -14.288) 19.444 21.580 ( 13.188 0.000 14.288) 19.444 21.815 ( -7.972 0.000 -23.703) 25.007 21.815 ( -7.972 0.000 23.703) 25.007 24.732 ( 1.730 0.000 -6.066) 6.308 24.732 ( 1.730 0.000 6.066) 6.308 24.780 ( -2.610 0.000 -3.961) 4.744 24.780 ( -2.610 0.000 3.961) 4.744 24.929 ( 4.092 0.000 -0.686) 4.149 24.929 ( 4.092 0.000 0.686) 4.149 25.007 ( -2.938 0.000 -0.109) 2.940 25.007 ( -2.938 0.000 0.109) 2.940 ======================= Grid point 141 (53/60) ======================= q-point: ( 0.00 0.12 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 1.94e-05 1.94e-05 1.94e-05 1.94e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 48 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.589 ( 0.000 -0.686 -2.781) 2.864 1.589 ( 0.000 -0.686 2.781) 2.864 1.639 ( 0.000 -1.568 -5.544) 5.761 1.639 ( 0.000 -1.568 5.544) 5.761 1.668 ( 0.000 -0.076 -2.192) 2.193 1.668 ( 0.000 -0.076 2.192) 2.193 1.797 ( 0.000 -0.486 -4.453) 4.480 1.797 ( 0.000 -0.486 4.453) 4.480 2.159 ( 0.000 -0.447 -7.529) 7.542 2.159 ( 0.000 -0.447 7.529) 7.542 2.227 ( 0.000 0.685 -8.081) 8.110 2.227 ( 0.000 0.685 8.081) 8.110 2.388 ( 0.000 0.616 -1.422) 1.549 2.388 ( 0.000 0.616 1.422) 1.549 2.507 ( 0.000 5.123 -7.297) 8.916 2.507 ( 0.000 5.123 7.297) 8.916 2.617 ( 0.000 0.505 -11.416) 11.427 2.617 ( 0.000 0.505 11.416) 11.427 3.090 ( 0.000 2.320 -7.900) 8.233 3.090 ( 0.000 2.320 7.900) 8.233 3.667 ( 0.000 -3.147 -1.072) 3.325 3.667 ( 0.000 -3.147 1.072) 3.325 3.946 ( 0.000 -0.312 -1.981) 2.006 3.946 ( 0.000 -0.312 1.981) 2.006 4.250 ( 0.000 -9.278 -15.926) 18.431 4.250 ( 0.000 -9.278 15.926) 18.431 4.433 ( 0.000 -8.240 -12.488) 14.962 4.433 ( 0.000 -8.240 12.488) 14.962 4.709 ( 0.000 6.135 -14.519) 15.762 4.709 ( 0.000 6.135 14.519) 15.762 4.767 ( 0.000 5.177 -14.227) 15.139 4.767 ( 0.000 5.177 14.227) 15.139 5.036 ( 0.000 0.452 -8.238) 8.251 5.036 ( 0.000 0.452 8.238) 8.251 5.075 ( 0.000 2.082 -2.077) 2.941 5.075 ( 0.000 2.082 2.077) 2.941 5.651 ( 0.000 5.621 -8.867) 10.498 5.651 ( 0.000 5.621 8.867) 10.498 5.967 ( 0.000 3.830 -8.094) 8.954 5.967 ( 0.000 3.830 8.094) 8.954 5.994 ( 0.000 5.234 -6.793) 8.575 5.994 ( 0.000 5.234 6.793) 8.575 6.126 ( 0.000 4.336 -8.429) 9.479 6.126 ( 0.000 4.336 8.429) 9.479 6.965 ( 0.000 2.507 -6.172) 6.661 6.965 ( 0.000 2.507 6.172) 6.661 6.983 ( 0.000 1.388 -7.469) 7.597 6.983 ( 0.000 1.388 7.469) 7.597 7.212 ( 0.000 3.459 -3.583) 4.981 7.212 ( 0.000 3.459 3.583) 4.981 7.516 ( 0.000 -5.263 -10.932) 12.133 7.516 ( 0.000 -5.263 10.932) 12.133 8.202 ( 0.000 -2.860 -6.419) 7.028 8.202 ( 0.000 -2.860 6.419) 7.028 8.204 ( 0.000 -1.630 -2.855) 3.288 8.204 ( 0.000 -1.630 2.855) 3.288 8.299 ( 0.000 -0.137 -7.294) 7.295 8.299 ( 0.000 -0.137 7.294) 7.295 8.738 ( 0.000 -0.504 -8.898) 8.912 8.738 ( 0.000 -0.504 8.898) 8.912 9.030 ( 0.000 8.874 -5.392) 10.384 9.030 ( 0.000 8.874 5.392) 10.384 9.716 ( 0.000 6.697 -3.039) 7.354 9.716 ( 0.000 6.697 3.039) 7.354 9.961 ( 0.000 -2.067 -3.057) 3.690 9.961 ( 0.000 -2.067 3.057) 3.690 10.686 ( 0.000 -1.354 -3.488) 3.741 10.686 ( 0.000 -1.354 3.488) 3.741 11.143 ( 0.000 5.382 -7.604) 9.317 11.143 ( 0.000 5.382 7.604) 9.317 11.715 ( 0.000 -2.479 -1.723) 3.019 11.715 ( 0.000 -2.479 1.723) 3.019 11.909 ( 0.000 0.293 -2.515) 2.532 11.909 ( 0.000 0.293 2.515) 2.532 11.984 ( 0.000 -3.747 -3.823) 5.353 11.984 ( 0.000 -3.747 3.823) 5.353 13.607 ( 0.000 -0.012 -2.160) 2.160 13.607 ( 0.000 -0.012 2.160) 2.160 13.707 ( 0.000 -0.713 -10.079) 10.104 13.707 ( 0.000 -0.713 10.079) 10.104 14.442 ( 0.000 -2.735 -4.812) 5.535 14.442 ( 0.000 -2.735 4.812) 5.535 14.562 ( 0.000 -5.885 -12.846) 14.130 14.562 ( 0.000 -5.885 12.846) 14.130 17.216 ( 0.000 3.144 -6.119) 6.880 17.216 ( 0.000 3.144 6.119) 6.880 17.308 ( 0.000 3.065 -5.094) 5.945 17.308 ( 0.000 3.065 5.094) 5.945 18.625 ( 0.000 -9.086 -9.604) 13.221 18.625 ( 0.000 -9.086 9.604) 13.221 18.894 ( 0.000 -8.862 -12.403) 15.244 18.894 ( 0.000 -8.862 12.403) 15.244 20.365 ( 0.000 4.020 -21.244) 21.621 20.365 ( 0.000 4.020 21.244) 21.621 20.757 ( 0.000 0.282 -2.921) 2.934 20.757 ( 0.000 0.282 2.921) 2.934 21.378 ( 0.000 -0.031 -4.717) 4.717 21.378 ( 0.000 -0.031 4.717) 4.717 21.835 ( 0.000 -5.560 -26.624) 27.198 21.835 ( 0.000 -5.560 26.624) 27.198 24.754 ( 0.000 2.624 -4.839) 5.504 24.754 ( 0.000 2.624 4.839) 5.504 24.857 ( 0.000 1.627 -0.223) 1.643 24.857 ( 0.000 1.627 0.223) 1.643 24.866 ( 0.000 1.423 -2.646) 3.004 24.866 ( 0.000 1.423 2.646) 3.004 25.028 ( 0.000 -0.622 -2.095) 2.186 25.028 ( 0.000 -0.622 2.095) 2.186 ======================= Grid point 143 (54/60) ======================= q-point: ( 0.33 0.12 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 1.94e-05 1.94e-05 1.94e-05 1.94e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.614 ( 1.805 -1.377 -1.310) 2.622 1.614 ( 1.805 -1.377 1.310) 2.622 1.636 ( -0.046 -1.783 -2.972) 3.466 1.636 ( -0.046 -1.783 2.972) 3.466 1.702 ( 2.272 -0.775 -0.944) 2.580 1.702 ( 2.272 -0.775 0.944) 2.580 1.761 ( -2.921 -0.569 -3.805) 4.831 1.761 ( -2.921 -0.569 3.805) 4.831 2.166 ( 1.140 0.674 -3.915) 4.133 2.166 ( 1.140 0.674 3.915) 4.133 2.206 ( -1.965 1.224 -3.036) 3.818 2.206 ( -1.965 1.224 3.036) 3.818 2.386 ( 1.354 1.543 -3.178) 3.784 2.386 ( 1.354 1.543 3.178) 3.784 2.448 ( -3.729 4.068 -7.636) 9.422 2.448 ( -3.729 4.068 7.636) 9.422 2.764 ( 10.257 0.493 -8.589) 13.387 2.764 ( 10.257 0.493 8.589) 13.387 2.979 ( -9.034 1.123 -7.721) 11.937 2.979 ( -9.034 1.123 7.721) 11.937 3.749 ( 6.297 -1.827 -0.802) 6.605 3.749 ( 6.297 -1.827 0.802) 6.605 3.882 ( -5.409 -0.744 -0.909) 5.535 3.882 ( -5.409 -0.744 0.909) 5.535 4.301 ( 4.215 -8.690 -14.794) 17.668 4.301 ( 4.215 -8.690 14.794) 17.668 4.393 ( -3.649 -8.247 -13.353) 16.112 4.393 ( -3.649 -8.247 13.353) 16.113 4.717 ( 0.948 5.929 -15.046) 16.200 4.717 ( 0.948 5.929 15.046) 16.200 4.747 ( -1.572 5.355 -14.592) 15.623 4.747 ( -1.572 5.355 14.592) 15.623 5.057 ( 1.427 0.716 -6.299) 6.498 5.057 ( 1.427 0.716 6.299) 6.498 5.076 ( -0.210 1.555 -2.919) 3.314 5.076 ( -0.210 1.555 2.920) 3.314 5.713 ( 5.737 5.409 -7.773) 11.072 5.713 ( 5.737 5.409 7.773) 11.072 5.868 ( -7.579 4.877 -6.974) 11.395 5.868 ( -7.579 4.877 6.974) 11.395 6.037 ( 3.024 4.413 -8.005) 9.628 6.037 ( 3.024 4.413 8.005) 9.628 6.100 ( -2.369 4.563 -8.476) 9.913 6.100 ( -2.369 4.563 8.476) 9.913 6.919 ( 3.051 2.072 -2.510) 4.461 6.919 ( 3.051 2.072 2.510) 4.461 7.067 ( -9.199 1.589 -0.754) 9.366 7.067 ( -9.199 1.589 0.754) 9.366 7.223 ( 13.061 0.877 -8.235) 15.465 7.223 ( 13.061 0.877 8.235) 15.465 7.463 ( -7.444 -2.158 -9.366) 12.157 7.463 ( -7.444 -2.158 9.366) 12.157 8.157 ( 0.960 -2.160 -7.086) 7.469 8.157 ( 0.960 -2.160 7.086) 7.469 8.205 ( -2.234 -0.817 -9.447) 9.741 8.205 ( -2.234 -0.817 9.447) 9.741 8.424 ( 8.701 -1.058 -4.466) 9.837 8.424 ( 8.701 -1.058 4.466) 9.837 8.614 ( -8.669 -0.055 -6.663) 10.934 8.614 ( -8.669 -0.055 6.663) 10.934 9.195 ( 12.297 6.619 -4.695) 14.733 9.195 ( 12.297 6.619 4.695) 14.733 9.485 ( -14.324 5.004 -3.479) 15.567 9.485 ( -14.324 5.004 3.479) 15.567 10.190 ( 14.384 0.642 -1.579) 14.484 10.190 ( 14.384 0.642 1.579) 14.484 10.494 ( -13.692 0.724 -3.531) 14.158 10.494 ( -13.692 0.724 3.531) 14.158 11.334 ( 13.291 1.631 -5.153) 14.348 11.334 ( 13.291 1.631 5.153) 14.348 11.597 ( -10.164 -1.615 -1.881) 10.462 11.597 ( -10.164 -1.615 1.881) 10.462 11.934 ( 1.902 -0.508 -2.698) 3.340 11.934 ( 1.902 -0.508 2.698) 3.340 11.971 ( -1.318 -2.355 -3.441) 4.373 11.971 ( -1.318 -2.355 3.441) 4.373 13.628 ( 1.959 -0.324 -1.010) 2.228 13.628 ( 1.959 -0.324 1.010) 2.228 13.678 ( -2.322 -0.632 -6.849) 7.259 13.678 ( -2.322 -0.632 6.849) 7.259 14.475 ( 2.684 -3.371 -6.730) 7.991 14.475 ( 2.684 -3.371 6.730) 7.991 14.534 ( -2.435 -4.935 -10.816) 12.136 14.534 ( -2.435 -4.935 10.816) 12.136 17.240 ( 2.006 2.930 -5.807) 6.807 17.240 ( 2.006 2.930 5.807) 6.807 17.286 ( -1.914 2.885 -5.291) 6.323 17.286 ( -1.914 2.885 5.291) 6.323 18.693 ( 5.844 -9.090 -10.415) 15.008 18.693 ( 5.844 -9.090 10.415) 15.008 18.828 ( -5.719 -9.023 -11.859) 15.961 18.828 ( -5.719 -9.023 11.859) 15.961 20.424 ( 5.642 3.950 -18.320) 19.572 20.424 ( 5.642 3.950 18.320) 19.572 20.601 ( -10.362 2.611 -8.797) 13.842 20.601 ( -10.362 2.611 8.797) 13.842 21.547 ( 11.605 -2.556 -14.055) 18.405 21.547 ( 11.605 -2.556 14.055) 18.405 21.757 ( -7.197 -4.831 -23.487) 25.035 21.757 ( -7.197 -4.831 23.487) 25.035 24.768 ( 1.327 2.304 -4.570) 5.287 24.768 ( 1.327 2.304 4.570) 5.287 24.807 ( -2.217 1.853 -3.291) 4.379 24.807 ( -2.217 1.853 3.291) 4.379 24.933 ( 3.569 0.906 -0.374) 3.701 24.933 ( 3.569 0.906 0.374) 3.701 25.001 ( -2.465 -0.096 -1.549) 2.913 25.001 ( -2.465 -0.096 1.549) 2.913 ======================= Grid point 147 (55/60) ======================= q-point: ( 0.00 0.25 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 1.94e-05 1.94e-05 1.94e-05 1.94e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 48 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.575 ( 0.000 -1.191 -1.128) 1.641 1.575 ( 0.000 -1.191 1.128) 1.641 1.579 ( 0.000 -3.525 -2.497) 4.320 1.579 ( 0.000 -3.525 2.497) 4.320 1.672 ( 0.000 1.173 -1.661) 2.034 1.672 ( 0.000 1.173 1.662) 2.034 1.802 ( 0.000 0.752 -5.245) 5.299 1.802 ( 0.000 0.752 5.245) 5.299 2.160 ( 0.000 0.680 -8.187) 8.215 2.160 ( 0.000 0.680 8.187) 8.215 2.242 ( 0.000 0.211 -8.271) 8.274 2.242 ( 0.000 0.211 8.271) 8.274 2.441 ( 0.000 4.988 -1.560) 5.227 2.441 ( 0.000 4.988 1.560) 5.227 2.635 ( 0.000 1.263 -11.039) 11.111 2.635 ( 0.000 1.263 11.039) 11.111 2.650 ( 0.000 7.850 -4.484) 9.040 2.650 ( 0.000 7.850 4.484) 9.040 3.134 ( 0.000 0.923 -8.200) 8.252 3.134 ( 0.000 0.923 8.200) 8.252 3.573 ( 0.000 -5.244 -1.487) 5.451 3.573 ( 0.000 -5.244 1.487) 5.451 3.936 ( 0.000 -0.683 -2.909) 2.988 3.936 ( 0.000 -0.683 2.909) 2.988 4.020 ( 0.000 -11.126 -13.732) 17.673 4.020 ( 0.000 -11.126 13.732) 17.673 4.209 ( 0.000 -12.315 -11.890) 17.118 4.209 ( 0.000 -12.315 11.890) 17.118 4.841 ( 0.000 5.575 -10.346) 11.752 4.841 ( 0.000 5.575 10.346) 11.752 4.901 ( 0.000 6.925 -12.216) 14.042 4.901 ( 0.000 6.925 12.216) 14.042 5.054 ( 0.000 1.147 -12.023) 12.078 5.054 ( 0.000 1.147 12.023) 12.078 5.112 ( 0.000 0.980 -5.305) 5.395 5.112 ( 0.000 0.980 5.305) 5.395 5.823 ( 0.000 10.107 -11.946) 15.648 5.823 ( 0.000 10.107 11.946) 15.648 6.078 ( 0.000 6.200 -5.017) 7.975 6.078 ( 0.000 6.200 5.017) 7.975 6.148 ( 0.000 8.828 -8.709) 12.401 6.148 ( 0.000 8.828 8.709) 12.401 6.242 ( 0.000 6.110 -5.540) 8.248 6.242 ( 0.000 6.110 5.540) 8.248 6.983 ( 0.000 -1.906 -7.742) 7.973 6.983 ( 0.000 -1.906 7.742) 7.973 7.027 ( 0.000 2.621 -5.044) 5.684 7.027 ( 0.000 2.621 5.044) 5.684 7.307 ( 0.000 5.000 -5.067) 7.119 7.307 ( 0.000 5.000 5.067) 7.119 7.371 ( 0.000 -7.454 -10.057) 12.518 7.371 ( 0.000 -7.454 10.057) 12.518 8.094 ( 0.000 -6.271 -13.955) 15.300 8.094 ( 0.000 -6.271 13.955) 15.300 8.155 ( 0.000 -2.989 -5.778) 6.505 8.155 ( 0.000 -2.989 5.778) 6.505 8.362 ( 0.000 5.779 -12.649) 13.907 8.362 ( 0.000 5.779 12.649) 13.907 8.726 ( 0.000 -0.555 -11.427) 11.440 8.726 ( 0.000 -0.555 11.427) 11.440 9.266 ( 0.000 12.191 -5.969) 13.574 9.266 ( 0.000 12.191 5.969) 13.574 9.900 ( 0.000 -3.561 -3.847) 5.242 9.900 ( 0.000 -3.561 3.847) 5.242 9.908 ( 0.000 10.986 -4.602) 11.910 9.908 ( 0.000 10.986 4.602) 11.910 10.641 ( 0.000 -2.942 -1.121) 3.148 10.641 ( 0.000 -2.942 1.121) 3.148 11.282 ( 0.000 6.998 -5.927) 9.171 11.282 ( 0.000 6.998 5.927) 9.171 11.648 ( 0.000 -3.395 -3.691) 5.015 11.648 ( 0.000 -3.395 3.691) 5.015 11.853 ( 0.000 -7.809 -2.631) 8.240 11.853 ( 0.000 -7.809 2.631) 8.240 11.899 ( 0.000 -2.365 -5.779) 6.244 11.899 ( 0.000 -2.365 5.779) 6.244 13.610 ( 0.000 0.457 -2.848) 2.885 13.610 ( 0.000 0.457 2.848) 2.885 13.688 ( 0.000 -0.905 -8.955) 9.000 13.688 ( 0.000 -0.905 8.955) 9.000 14.377 ( 0.000 -3.018 -6.776) 7.417 14.377 ( 0.000 -3.018 6.776) 7.417 14.417 ( 0.000 -6.799 -12.077) 13.860 14.417 ( 0.000 -6.799 12.077) 13.860 17.324 ( 0.000 7.025 -4.112) 8.140 17.324 ( 0.000 7.025 4.112) 8.140 17.413 ( 0.000 7.128 -1.037) 7.203 17.413 ( 0.000 7.128 1.037) 7.203 18.377 ( 0.000 -13.586 -11.361) 17.710 18.377 ( 0.000 -13.586 11.361) 17.710 18.633 ( 0.000 -15.004 -16.179) 22.065 18.633 ( 0.000 -15.004 16.179) 22.065 20.460 ( 0.000 4.450 -12.404) 13.178 20.460 ( 0.000 4.450 12.404) 13.178 20.752 ( 0.000 -1.047 -9.351) 9.409 20.752 ( 0.000 -1.047 9.351) 9.409 21.397 ( 0.000 1.945 -6.251) 6.547 21.397 ( 0.000 1.945 6.251) 6.547 21.701 ( 0.000 -6.180 -26.596) 27.305 21.701 ( 0.000 -6.180 26.596) 27.305 24.769 ( 0.000 -0.846 -3.552) 3.651 24.769 ( 0.000 -0.846 3.552) 3.651 24.853 ( 0.000 -2.225 -2.756) 3.542 24.853 ( 0.000 -2.225 2.756) 3.542 24.949 ( 0.000 5.494 -3.749) 6.652 24.949 ( 0.000 5.494 3.749) 6.652 25.047 ( 0.000 2.380 -5.794) 6.264 25.047 ( 0.000 2.380 5.794) 6.264 ======================= Grid point 149 (56/60) ======================= q-point: ( 0.33 0.25 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 1.94e-05 1.94e-05 1.94e-05 1.94e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.573 ( 0.142 -2.646 -3.440) 4.343 1.573 ( 0.142 -2.646 3.440) 4.343 1.580 ( -0.169 -2.907 -2.771) 4.020 1.580 ( -0.169 -2.907 2.771) 4.020 1.701 ( 2.632 1.176 -1.646) 3.320 1.701 ( 2.632 1.177 1.646) 3.320 1.767 ( -2.958 0.967 -3.920) 5.005 1.767 ( -2.958 0.967 3.920) 5.005 2.174 ( 1.486 0.247 -6.189) 6.370 2.174 ( 1.486 0.247 6.189) 6.370 2.218 ( -2.189 -0.068 -3.891) 4.465 2.218 ( -2.189 -0.068 3.891) 4.465 2.473 ( 4.014 6.526 -3.487) 8.418 2.473 ( 4.014 6.526 3.487) 8.418 2.579 ( -4.707 7.694 -5.108) 10.366 2.579 ( -4.707 7.694 5.109) 10.366 2.774 ( 9.521 0.652 -8.695) 12.911 2.774 ( 9.521 0.652 8.695) 12.910 2.995 ( -10.287 0.058 -7.796) 12.907 2.995 ( -10.287 0.058 7.796) 12.907 3.689 ( 8.208 -3.959 -0.626) 9.134 3.689 ( 8.208 -3.959 0.626) 9.134 3.852 ( -6.488 -2.469 -1.415) 7.085 3.852 ( -6.488 -2.469 1.415) 7.085 4.086 ( 4.628 -10.332 -10.956) 15.754 4.086 ( 4.628 -10.332 10.956) 15.754 4.176 ( -3.195 -11.398 -11.092) 16.223 4.176 ( -3.195 -11.398 11.092) 16.223 4.851 ( 0.994 6.017 -10.772) 12.378 4.851 ( 0.994 6.017 10.772) 12.378 4.880 ( -1.576 6.630 -11.635) 13.484 4.880 ( -1.576 6.630 11.635) 13.484 5.075 ( 1.610 0.924 -9.593) 9.771 5.075 ( 1.610 0.924 9.593) 9.771 5.105 ( -0.869 0.841 -6.263) 6.378 5.105 ( -0.869 0.841 6.263) 6.378 5.877 ( 4.983 9.564 -10.847) 15.296 5.877 ( 4.983 9.564 10.847) 15.296 6.012 ( -6.509 8.175 -9.627) 14.208 6.012 ( -6.509 8.175 9.627) 14.208 6.163 ( 2.868 6.980 -3.893) 8.491 6.163 ( 2.868 6.980 3.893) 8.491 6.226 ( -2.115 6.875 -3.221) 7.881 6.226 ( -2.115 6.875 3.221) 7.881 6.958 ( 2.176 0.919 -1.299) 2.696 6.958 ( 2.176 0.919 1.299) 2.696 7.070 ( -5.950 -2.180 -2.918) 6.977 7.070 ( -5.950 -2.180 2.918) 6.977 7.253 ( 6.922 1.941 -2.583) 7.639 7.253 ( 6.922 1.941 2.583) 7.639 7.405 ( -3.682 -2.811 -4.114) 6.195 7.405 ( -3.682 -2.811 4.114) 6.195 8.093 ( 2.730 -3.588 -10.143) 11.099 8.093 ( 2.730 -3.588 10.143) 11.099 8.168 ( -2.234 -2.798 -7.604) 8.405 8.168 ( -2.234 -2.798 7.604) 8.405 8.438 ( 7.422 2.880 -5.898) 9.908 8.438 ( 7.422 2.880 5.898) 9.908 8.621 ( -8.372 0.765 -9.403) 12.614 8.621 ( -8.372 0.765 9.403) 12.614 9.376 ( 9.080 9.571 -5.571) 14.321 9.376 ( 9.080 9.571 5.571) 14.321 9.611 ( -12.720 5.969 -4.399) 14.723 9.611 ( -12.720 5.969 4.399) 14.723 10.220 ( 14.745 2.488 -1.160) 14.999 10.220 ( 14.745 2.488 1.160) 14.999 10.505 ( -11.291 0.044 -1.713) 11.420 10.505 ( -11.291 0.044 1.713) 11.420 11.380 ( 7.690 2.442 -3.723) 8.885 11.380 ( 7.690 2.442 3.723) 8.885 11.552 ( -7.543 -2.381 -2.575) 8.319 11.552 ( -7.543 -2.381 2.575) 8.319 11.880 ( 1.652 -5.616 -2.525) 6.375 11.880 ( 1.652 -5.616 2.525) 6.375 11.901 ( -0.244 -3.476 -4.115) 5.392 11.901 ( -0.244 -3.476 4.115) 5.392 13.624 ( 1.389 0.017 -0.879) 1.644 13.624 ( 1.389 0.017 0.879) 1.644 13.664 ( -1.989 -0.628 -6.144) 6.489 13.664 ( -1.989 -0.628 6.144) 6.489 14.393 ( 1.188 -3.837 -6.599) 7.726 14.393 ( 1.188 -3.837 6.599) 7.726 14.413 ( -0.511 -5.611 -8.793) 10.444 14.413 ( -0.511 -5.611 8.794) 10.444 17.342 ( 1.626 6.749 -3.175) 7.634 17.342 ( 1.626 6.749 3.175) 7.634 17.386 ( -2.175 6.770 -1.535) 7.274 17.386 ( -2.175 6.770 1.535) 7.274 18.443 ( 5.538 -13.815 -12.290) 19.302 18.443 ( 5.538 -13.815 12.290) 19.302 18.570 ( -5.411 -14.578 -14.747) 21.431 18.570 ( -5.411 -14.578 14.747) 21.431 20.516 ( 5.099 4.187 -9.088) 11.230 20.516 ( 5.099 4.187 9.088) 11.230 20.656 ( -7.181 1.987 -2.856) 7.980 20.656 ( -7.181 1.987 2.856) 7.980 21.498 ( 7.531 -1.586 -14.374) 16.305 21.498 ( 7.531 -1.586 14.375) 16.305 21.644 ( -5.265 -5.100 -23.420) 24.540 21.644 ( -5.265 -5.100 23.420) 24.540 24.779 ( 1.112 -1.153 -2.742) 3.175 24.779 ( 1.112 -1.153 2.742) 3.175 24.817 ( -2.309 -1.449 -1.804) 3.269 24.817 ( -2.309 -1.449 1.804) 3.269 24.990 ( 2.622 4.235 -1.180) 5.119 24.990 ( 2.622 4.235 1.180) 5.119 25.034 ( -1.326 3.075 -3.989) 5.208 25.034 ( -1.326 3.075 3.989) 5.208 ======================= Grid point 153 (57/60) ======================= q-point: ( 0.00 0.38 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 1.94e-05 1.94e-05 1.94e-05 1.94e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 48 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.517 ( 0.000 -1.852 -1.689) 2.507 1.517 ( 0.000 -1.852 1.689) 2.507 1.535 ( 0.000 -2.037 -3.012) 3.636 1.535 ( 0.000 -2.037 3.012) 3.636 1.725 ( 0.000 3.314 -3.469) 4.797 1.725 ( 0.000 3.314 3.469) 4.797 1.813 ( 0.000 -0.088 -4.768) 4.769 1.813 ( 0.000 -0.088 4.768) 4.769 2.189 ( 0.000 1.805 -8.700) 8.886 2.189 ( 0.000 1.805 8.700) 8.886 2.237 ( 0.000 -0.441 -8.156) 8.167 2.237 ( 0.000 -0.441 8.156) 8.167 2.588 ( 0.000 7.877 -8.247) 11.404 2.588 ( 0.000 7.877 8.247) 11.404 2.673 ( 0.000 2.199 -10.683) 10.907 2.673 ( 0.000 2.199 10.683) 10.907 2.809 ( 0.000 6.189 -10.084) 11.832 2.809 ( 0.000 6.189 10.084) 11.832 3.089 ( 0.000 -5.668 -8.529) 10.241 3.089 ( 0.000 -5.668 8.529) 10.241 3.492 ( 0.000 -0.620 -5.360) 5.396 3.492 ( 0.000 -0.620 5.360) 5.396 3.815 ( 0.000 -8.939 -9.355) 12.940 3.815 ( 0.000 -8.939 9.355) 12.940 3.913 ( 0.000 -1.477 -3.695) 3.979 3.913 ( 0.000 -1.477 3.695) 3.979 3.953 ( 0.000 -9.368 -8.663) 12.760 3.953 ( 0.000 -9.368 8.663) 12.760 4.946 ( 0.000 4.410 -7.147) 8.398 4.946 ( 0.000 4.410 7.147) 8.398 5.030 ( 0.000 4.721 -10.194) 11.234 5.030 ( 0.000 4.721 10.194) 11.234 5.072 ( 0.000 -0.173 -14.575) 14.576 5.072 ( 0.000 -0.173 14.575) 14.576 5.111 ( 0.000 -0.687 -10.872) 10.894 5.111 ( 0.000 -0.687 10.872) 10.894 6.047 ( 0.000 10.008 -13.342) 16.679 6.047 ( 0.000 10.008 13.342) 16.679 6.201 ( 0.000 4.266 -2.661) 5.028 6.201 ( 0.000 4.266 2.661) 5.028 6.340 ( 0.000 8.179 -10.844) 13.583 6.340 ( 0.000 8.179 10.844) 13.583 6.363 ( 0.000 4.913 -6.852) 8.431 6.363 ( 0.000 4.913 6.852) 8.431 6.913 ( 0.000 -3.560 -7.296) 8.118 6.913 ( 0.000 -3.560 7.296) 8.118 7.014 ( 0.000 -4.901 -4.061) 6.365 7.014 ( 0.000 -4.901 4.061) 6.365 7.279 ( 0.000 0.485 -8.392) 8.406 7.279 ( 0.000 0.485 8.392) 8.406 7.385 ( 0.000 1.189 -6.697) 6.802 7.385 ( 0.000 1.189 6.697) 6.802 7.985 ( 0.000 -2.792 -12.898) 13.197 7.985 ( 0.000 -2.792 12.898) 13.197 8.079 ( 0.000 -4.072 -7.270) 8.333 8.079 ( 0.000 -4.072 7.270) 8.333 8.512 ( 0.000 7.469 -12.918) 14.922 8.512 ( 0.000 7.469 12.918) 14.922 8.708 ( 0.000 -1.505 -11.520) 11.618 8.708 ( 0.000 -1.505 11.520) 11.618 9.509 ( 0.000 10.092 -4.250) 10.950 9.509 ( 0.000 10.092 4.250) 10.950 9.811 ( 0.000 -4.873 -4.677) 6.755 9.811 ( 0.000 -4.873 4.677) 6.755 10.164 ( 0.000 12.501 -3.538) 12.992 10.164 ( 0.000 12.501 3.538) 12.992 10.557 ( 0.000 -5.182 -1.715) 5.458 10.557 ( 0.000 -5.182 1.715) 5.458 11.403 ( 0.000 3.697 -11.127) 11.725 11.403 ( 0.000 3.697 11.127) 11.725 11.612 ( 0.000 1.380 -9.307) 9.409 11.612 ( 0.000 1.380 9.307) 9.409 11.652 ( 0.000 -10.009 -0.315) 10.014 11.652 ( 0.000 -10.009 0.315) 10.014 11.822 ( 0.000 -4.944 -6.323) 8.026 11.822 ( 0.000 -4.944 6.323) 8.026 13.628 ( 0.000 1.180 -3.220) 3.429 13.628 ( 0.000 1.180 3.220) 3.429 13.671 ( 0.000 -0.726 -6.073) 6.116 13.671 ( 0.000 -0.726 6.073) 6.116 14.307 ( 0.000 -3.077 -10.133) 10.590 14.307 ( 0.000 -3.077 10.133) 10.590 14.321 ( 0.000 -2.277 -9.105) 9.386 14.321 ( 0.000 -2.277 9.105) 9.386 17.510 ( 0.000 10.346 -5.649) 11.788 17.510 ( 0.000 10.346 5.649) 11.788 17.622 ( 0.000 12.572 -11.151) 16.805 17.622 ( 0.000 12.572 11.151) 16.805 18.069 ( 0.000 -14.940 -12.060) 19.200 18.069 ( 0.000 -14.940 12.060) 19.200 18.288 ( 0.000 -16.925 -18.083) 24.768 18.288 ( 0.000 -16.925 18.083) 24.768 20.549 ( 0.000 3.991 -2.159) 4.538 20.549 ( 0.000 3.991 2.159) 4.538 20.707 ( 0.000 -3.020 -12.644) 13.000 20.707 ( 0.000 -3.020 12.644) 13.000 21.454 ( 0.000 3.061 -12.984) 13.340 21.454 ( 0.000 3.061 12.984) 13.340 21.592 ( 0.000 -4.070 -25.394) 25.718 21.592 ( 0.000 -4.070 25.394) 25.718 24.748 ( 0.000 -0.707 -4.217) 4.276 24.748 ( 0.000 -0.707 4.217) 4.276 24.792 ( 0.000 -2.816 -3.930) 4.835 24.792 ( 0.000 -2.816 3.930) 4.835 25.055 ( 0.000 3.928 -4.923) 6.298 25.055 ( 0.000 3.928 4.923) 6.298 25.097 ( 0.000 1.727 -6.580) 6.802 25.097 ( 0.000 1.727 6.580) 6.802 ======================= Grid point 155 (58/60) ======================= q-point: ( 0.33 0.38 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 1.94e-05 1.94e-05 1.94e-05 1.94e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.518 ( 0.220 -1.861 -2.207) 2.895 1.518 ( 0.220 -1.861 2.207) 2.895 1.528 ( -0.582 -1.994 -2.957) 3.613 1.528 ( -0.582 -1.994 2.957) 3.613 1.745 ( 1.793 2.503 -2.424) 3.919 1.745 ( 1.793 2.503 2.424) 3.919 1.789 ( -1.965 0.786 -3.564) 4.145 1.789 ( -1.965 0.786 3.564) 4.145 2.186 ( 0.493 0.890 -6.742) 6.818 2.186 ( 0.493 0.890 6.742) 6.818 2.216 ( -1.859 0.085 -4.977) 5.314 2.216 ( -1.859 0.085 4.977) 5.314 2.622 ( 4.338 6.037 -4.262) 8.569 2.622 ( 4.338 6.037 4.262) 8.569 2.721 ( -2.403 3.657 -3.299) 5.480 2.721 ( -2.403 3.657 3.299) 5.480 2.822 ( 5.961 5.172 -10.853) 13.419 2.822 ( 5.961 5.172 10.853) 13.419 2.990 ( -7.766 0.010 -7.529) 10.816 2.990 ( -7.766 0.010 7.529) 10.816 3.577 ( 6.883 -5.736 -4.245) 9.915 3.577 ( 6.883 -5.736 4.245) 9.915 3.737 ( -7.071 -8.934 -2.597) 11.686 3.737 ( -7.071 -8.934 2.597) 11.686 3.926 ( 2.589 -3.973 -2.323) 5.280 3.926 ( 2.589 -3.973 2.323) 5.280 3.969 ( -0.575 -6.383 -4.092) 7.604 3.969 ( -0.575 -6.383 4.092) 7.604 4.960 ( 1.361 4.100 -7.653) 8.788 4.960 ( 1.361 4.100 7.653) 8.788 4.998 ( -2.035 3.768 -8.264) 9.308 4.998 ( -2.035 3.768 8.264) 9.308 5.094 ( 1.174 0.738 -12.191) 12.270 5.094 ( 1.174 0.738 12.191) 12.270 5.110 ( -0.301 -0.111 -10.587) 10.592 5.110 ( -0.301 -0.111 10.587) 10.592 6.083 ( 3.438 8.664 -12.900) 15.915 6.083 ( 3.438 8.664 12.900) 15.915 6.179 ( -4.374 6.518 -10.750) 13.311 6.179 ( -4.374 6.518 10.750) 13.311 6.307 ( 2.382 5.706 -5.417) 8.221 6.307 ( 2.382 5.706 5.417) 8.221 6.374 ( -1.952 6.595 -5.996) 9.125 6.374 ( -1.952 6.595 5.996) 9.125 6.937 ( 1.971 -2.644 -5.206) 6.162 6.937 ( 1.971 -2.644 5.206) 6.162 6.989 ( -2.434 -4.624 -1.365) 5.401 6.989 ( -2.434 -4.624 1.365) 5.401 7.285 ( 2.479 1.092 -3.237) 4.221 7.285 ( 2.479 1.092 3.237) 4.221 7.363 ( -3.172 -1.390 -3.174) 4.698 7.363 ( -3.172 -1.390 3.174) 4.698 8.028 ( 4.243 -1.799 -10.969) 11.898 8.028 ( 4.243 -1.799 10.969) 11.898 8.100 ( -0.656 -3.195 -3.267) 4.617 8.100 ( -0.656 -3.195 3.267) 4.617 8.528 ( 2.837 4.722 -7.005) 8.911 8.528 ( 2.837 4.722 7.005) 8.911 8.636 ( -5.808 0.302 -10.032) 11.596 8.636 ( -5.808 0.302 10.032) 11.597 9.568 ( 5.165 7.856 -4.306) 10.341 9.568 ( 5.165 7.856 4.306) 10.341 9.705 ( -7.157 2.227 -4.260) 8.622 9.705 ( -7.157 2.227 4.260) 8.622 10.304 ( 9.783 5.219 -1.237) 11.157 10.304 ( 9.783 5.219 1.237) 11.157 10.487 ( -6.493 -1.831 -0.950) 6.813 10.487 ( -6.493 -1.831 0.950) 6.813 11.423 ( 2.337 1.274 -9.045) 9.428 11.423 ( 2.337 1.274 9.045) 9.428 11.509 ( -5.361 -1.501 -7.001) 8.944 11.509 ( -5.361 -1.501 7.001) 8.944 11.743 ( 4.273 -5.635 -2.360) 7.455 11.743 ( 4.273 -5.635 2.360) 7.455 11.807 ( -1.665 -5.034 -4.452) 6.924 11.807 ( -1.665 -5.034 4.452) 6.924 13.631 ( 0.507 0.555 -0.687) 1.019 13.631 ( 0.507 0.555 0.687) 1.019 13.653 ( -1.371 -0.386 -4.811) 5.017 13.653 ( -1.371 -0.386 4.811) 5.017 14.319 ( 0.906 -2.605 -10.377) 10.738 14.319 ( 0.906 -2.605 10.377) 10.738 14.328 ( 0.235 -2.374 -6.428) 6.856 14.328 ( 0.235 -2.374 6.428) 6.856 17.526 ( 1.690 10.479 -7.190) 12.820 17.526 ( 1.690 10.479 7.190) 12.820 17.581 ( -3.074 11.457 -9.814) 15.396 17.581 ( -3.074 11.457 9.814) 15.396 18.130 ( 4.934 -14.958 -13.270) 20.595 18.130 ( 4.934 -14.958 13.270) 20.595 18.238 ( -4.358 -16.132 -16.340) 23.371 18.238 ( -4.358 -16.132 16.340) 23.371 20.592 ( 3.640 2.956 -3.947) 6.129 20.592 ( 3.640 2.956 3.947) 6.129 20.673 ( -3.199 -0.370 -9.366) 9.904 20.673 ( -3.199 -0.370 9.366) 9.904 21.487 ( 3.006 0.449 -16.702) 16.976 21.487 ( 3.006 0.449 16.702) 16.976 21.558 ( -2.972 -2.900 -22.737) 23.113 21.558 ( -2.972 -2.900 22.737) 23.113 24.747 ( 0.330 -1.331 -2.309) 2.686 24.747 ( 0.330 -1.331 2.309) 2.686 24.770 ( -1.596 -2.256 -2.329) 3.614 24.770 ( -1.596 -2.256 2.329) 3.614 25.077 ( 1.517 3.320 -2.012) 4.168 25.077 ( 1.517 3.320 2.012) 4.168 25.098 ( -0.253 2.333 -3.960) 4.603 25.098 ( -0.253 2.333 3.960) 4.603 ======================= Grid point 159 (59/60) ======================= q-point: ( 0.00 -0.50 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 1.94e-05 1.94e-05 1.94e-05 1.94e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 30 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.505 ( 0.000 -0.602 -1.884) 1.978 1.505 ( 0.000 0.602 -1.884) 1.978 1.505 ( 0.000 -0.602 1.884) 1.978 1.505 ( 0.000 0.602 1.884) 1.978 1.789 ( 0.000 -2.239 -3.980) 4.567 1.789 ( 0.000 2.239 -3.980) 4.567 1.789 ( 0.000 -2.239 3.980) 4.567 1.789 ( 0.000 2.239 3.980) 4.567 2.222 ( 0.000 -0.997 -9.163) 9.217 2.222 ( 0.000 0.997 -9.163) 9.217 2.222 ( 0.000 -0.997 9.163) 9.217 2.222 ( 0.000 0.998 9.163) 9.218 2.702 ( 0.000 -0.618 -10.946) 10.964 2.702 ( 0.000 0.618 -10.946) 10.964 2.702 ( 0.000 -0.618 10.946) 10.964 2.702 ( 0.000 0.618 10.946) 10.964 2.931 ( 0.000 -7.152 -14.764) 16.406 2.931 ( 0.000 7.153 -14.764) 16.406 2.931 ( 0.000 -7.153 14.764) 16.406 2.931 ( 0.000 7.153 14.764) 16.406 3.594 ( 0.000 -9.650 -8.773) 13.041 3.594 ( 0.000 9.650 -8.773) 13.041 3.594 ( 0.000 -9.650 8.773) 13.041 3.594 ( 0.000 9.650 8.773) 13.041 3.883 ( 0.000 -0.680 -3.580) 3.644 3.883 ( 0.000 0.680 -3.580) 3.644 3.883 ( 0.000 -0.680 3.580) 3.644 3.883 ( 0.000 0.680 3.580) 3.644 5.029 ( 0.000 -3.323 -7.442) 8.150 5.029 ( 0.000 3.323 -7.442) 8.150 5.029 ( 0.000 -3.323 7.442) 8.150 5.029 ( 0.000 3.323 7.442) 8.150 5.095 ( 0.000 -1.470 -10.509) 10.611 5.095 ( 0.000 1.470 -10.509) 10.611 5.095 ( 0.000 -1.470 10.509) 10.611 5.095 ( 0.000 1.470 10.509) 10.611 6.208 ( 0.000 -3.917 -11.356) 12.012 6.208 ( 0.000 3.917 -11.356) 12.012 6.208 ( 0.000 -3.917 11.356) 12.012 6.208 ( 0.000 3.917 11.356) 12.012 6.433 ( 0.000 -0.070 -12.184) 12.184 6.433 ( 0.000 0.070 -12.184) 12.184 6.433 ( 0.000 -0.070 12.184) 12.184 6.433 ( 0.000 0.070 12.184) 12.184 6.899 ( 0.000 -3.344 -4.279) 5.431 6.899 ( 0.000 3.344 -4.279) 5.431 6.899 ( 0.000 -3.344 4.279) 5.431 6.899 ( 0.000 3.344 4.279) 5.431 7.345 ( 0.000 -3.906 -9.379) 10.159 7.345 ( 0.000 3.906 -9.379) 10.159 7.345 ( 0.000 -3.906 9.379) 10.159 7.345 ( 0.000 3.906 9.379) 10.159 7.996 ( 0.000 -2.995 -8.514) 9.026 7.996 ( 0.000 2.995 -8.514) 9.026 7.996 ( 0.000 -2.995 8.514) 9.026 7.996 ( 0.000 2.995 8.514) 9.026 8.646 ( 0.000 -4.586 -12.149) 12.986 8.646 ( 0.000 4.586 -12.149) 12.986 8.646 ( 0.000 -4.586 12.149) 12.986 8.646 ( 0.000 4.586 12.149) 12.986 9.688 ( 0.000 -6.883 -4.656) 8.309 9.688 ( 0.000 6.883 -4.656) 8.309 9.688 ( 0.000 -6.883 4.656) 8.309 9.688 ( 0.000 6.883 4.656) 8.309 10.405 ( 0.000 -9.441 -0.840) 9.479 10.405 ( 0.000 -9.441 0.840) 9.479 10.405 ( 0.000 9.441 -0.840) 9.479 10.405 ( 0.000 9.441 0.840) 9.479 11.479 ( 0.000 -5.231 -6.372) 8.244 11.479 ( 0.000 5.231 -6.372) 8.244 11.479 ( 0.000 -5.231 6.372) 8.244 11.479 ( 0.000 5.231 6.372) 8.244 11.702 ( 0.000 -5.717 -6.903) 8.963 11.702 ( 0.000 5.717 -6.903) 8.963 11.702 ( 0.000 -5.717 6.903) 8.963 11.702 ( 0.000 5.717 6.903) 8.963 13.653 ( 0.000 -1.025 -3.022) 3.192 13.653 ( 0.000 1.025 -3.022) 3.192 13.653 ( 0.000 -1.025 3.022) 3.192 13.653 ( 0.000 1.025 3.022) 3.192 14.286 ( 0.000 -0.710 -9.601) 9.627 14.286 ( 0.000 0.710 -9.601) 9.627 14.286 ( 0.000 -0.710 9.601) 9.627 14.286 ( 0.000 0.710 9.601) 9.627 17.763 ( 0.000 -13.387 -10.866) 17.243 17.763 ( 0.000 13.387 -10.866) 17.243 17.763 ( 0.000 -13.387 10.867) 17.243 17.763 ( 0.000 13.387 10.867) 17.243 17.932 ( 0.000 -16.094 -17.066) 23.458 17.932 ( 0.000 16.094 -17.066) 23.458 17.932 ( 0.000 -16.094 17.066) 23.458 17.932 ( 0.000 16.094 17.066) 23.458 20.632 ( 0.000 -3.816 -8.553) 9.366 20.632 ( 0.000 3.816 -8.553) 9.366 20.632 ( 0.000 -3.816 8.553) 9.366 20.632 ( 0.000 3.816 8.553) 9.366 21.519 ( 0.000 -3.043 -20.508) 20.733 21.519 ( 0.000 3.043 -20.509) 20.733 21.519 ( 0.000 -3.043 20.509) 20.733 21.519 ( 0.000 3.043 20.509) 20.733 24.750 ( 0.000 -1.024 -4.301) 4.421 24.750 ( 0.000 1.024 -4.301) 4.421 24.750 ( 0.000 -1.024 4.301) 4.422 24.750 ( 0.000 1.024 4.301) 4.422 25.107 ( 0.000 -0.902 -5.896) 5.965 25.107 ( 0.000 0.902 -5.896) 5.965 25.107 ( 0.000 -0.902 5.896) 5.965 25.107 ( 0.000 0.902 5.896) 5.965 ======================= Grid point 163 (60/60) ======================= q-point: ( 0.33 -0.50 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 1.94e-05 1.94e-05 1.94e-05 1.94e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 45 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.502 ( -0.131 0.000 -1.872) 1.877 1.502 ( -0.131 -0.000 1.872) 1.877 1.502 ( -0.177 0.000 -2.529) 2.535 1.502 ( -0.177 0.000 2.529) 2.535 1.787 ( -0.059 -0.000 -3.369) 3.369 1.787 ( -0.059 -0.000 3.369) 3.369 1.788 ( -0.082 0.000 -2.408) 2.410 1.788 ( -0.082 0.000 2.408) 2.410 2.200 ( -0.180 0.000 -7.400) 7.403 2.200 ( -0.180 0.000 7.400) 7.403 2.218 ( -1.350 0.000 -5.902) 6.054 2.218 ( -1.350 0.000 5.902) 6.054 2.690 ( 2.098 0.000 -4.919) 5.348 2.690 ( 2.098 0.000 4.920) 5.348 2.740 ( -1.084 0.000 -10.036) 10.095 2.740 ( -1.084 0.000 10.036) 10.095 2.942 ( 2.710 0.000 -18.812) 19.006 2.942 ( 2.710 0.000 18.812) 19.006 2.970 ( 0.898 0.000 -15.564) 15.590 2.970 ( 0.898 0.000 15.564) 15.590 3.551 ( -2.319 0.000 -7.278) 7.638 3.551 ( -2.319 0.000 7.278) 7.638 3.553 ( -2.493 0.000 -11.640) 11.904 3.553 ( -2.493 -0.000 11.640) 11.904 3.898 ( 0.993 0.000 -1.125) 1.500 3.898 ( 0.993 -0.000 1.125) 1.500 3.902 ( 0.749 0.000 -2.216) 2.339 3.902 ( 0.749 0.000 2.216) 2.339 5.015 ( -0.045 0.000 -15.909) 15.909 5.015 ( -0.045 0.000 15.909) 15.909 5.026 ( -0.761 0.000 -12.896) 12.918 5.026 ( -0.761 -0.000 12.896) 12.918 5.106 ( 0.694 0.000 -10.167) 10.191 5.106 ( 0.694 0.000 10.167) 10.191 5.107 ( 0.502 -0.000 -11.800) 11.810 5.107 ( 0.502 -0.000 11.800) 11.810 6.190 ( 1.479 0.000 -13.470) 13.551 6.190 ( 1.479 0.000 13.470) 13.551 6.250 ( -2.175 0.000 -9.543) 9.788 6.250 ( -2.175 0.000 9.543) 9.788 6.373 ( 2.645 0.000 -9.939) 10.285 6.373 ( 2.645 0.000 9.939) 10.285 6.459 ( -2.510 0.000 -10.138) 10.444 6.459 ( -2.510 0.000 10.138) 10.444 6.903 ( 1.103 0.000 -6.881) 6.969 6.903 ( 1.103 -0.000 6.881) 6.969 6.916 ( 0.297 0.000 -8.228) 8.234 6.916 ( 0.297 0.000 8.228) 8.234 7.312 ( -0.758 0.000 -8.173) 8.208 7.312 ( -0.758 0.000 8.173) 8.208 7.332 ( -1.951 0.000 -8.634) 8.851 7.332 ( -1.951 -0.000 8.634) 8.851 8.020 ( 3.304 -0.000 -12.375) 12.809 8.020 ( 3.304 0.000 12.375) 12.809 8.054 ( 1.503 0.000 -3.472) 3.783 8.054 ( 1.503 0.000 3.472) 3.783 8.598 ( -1.207 0.000 -8.573) 8.658 8.598 ( -1.207 0.000 8.573) 8.658 8.627 ( -2.706 0.000 -14.535) 14.785 8.627 ( -2.706 0.000 14.535) 14.785 9.682 ( 0.750 0.000 -5.746) 5.795 9.682 ( 0.750 -0.000 5.746) 5.795 9.701 ( -0.347 0.000 -5.265) 5.277 9.701 ( -0.347 0.000 5.265) 5.277 10.408 ( 1.307 0.000 -1.658) 2.112 10.408 ( 1.307 0.000 1.658) 2.112 10.428 ( 0.177 0.000 -1.220) 1.233 10.428 ( 0.177 0.000 1.220) 1.233 11.441 ( -0.017 -0.000 -7.425) 7.425 11.441 ( -0.017 0.000 7.425) 7.425 11.480 ( -2.457 0.000 -9.244) 9.565 11.480 ( -2.457 0.000 9.244) 9.565 11.699 ( 1.680 0.000 -6.181) 6.405 11.699 ( 1.680 0.000 6.181) 6.405 11.727 ( -0.147 -0.000 -8.027) 8.028 11.727 ( -0.147 -0.000 8.027) 8.028 13.641 ( -0.376 0.000 -4.699) 4.714 13.641 ( -0.376 0.000 4.699) 4.714 13.646 ( -0.709 0.000 -7.342) 7.376 13.646 ( -0.709 -0.000 7.342) 7.376 14.296 ( 0.815 0.000 -12.134) 12.161 14.296 ( 0.815 -0.000 12.134) 12.161 14.300 ( 0.585 0.000 -5.919) 5.948 14.300 ( 0.585 0.000 5.919) 5.948 17.740 ( 0.701 0.000 -14.541) 14.558 17.740 ( 0.701 0.000 14.541) 14.558 17.782 ( -1.830 -0.000 -12.082) 12.220 17.782 ( -1.830 -0.000 12.082) 12.220 17.907 ( 1.285 0.000 -14.334) 14.392 17.907 ( 1.285 -0.000 14.334) 14.392 17.946 ( -1.090 0.000 -14.653) 14.694 17.946 ( -1.090 0.000 14.653) 14.694 20.637 ( 1.159 -0.000 -14.489) 14.535 20.637 ( 1.159 0.000 14.489) 14.535 20.653 ( 0.282 0.000 -13.782) 13.785 20.653 ( 0.282 0.000 13.782) 13.785 21.503 ( 0.032 0.000 -25.150) 25.150 21.503 ( 0.032 0.000 25.150) 25.150 21.520 ( -0.888 0.000 -25.635) 25.651 21.520 ( -0.888 0.000 25.635) 25.651 24.734 ( -0.449 0.000 -1.450) 1.518 24.734 ( -0.449 0.000 1.450) 1.518 24.741 ( -0.897 0.000 -3.354) 3.472 24.741 ( -0.897 0.000 3.354) 3.472 25.116 ( 0.814 0.000 -2.720) 2.839 25.116 ( 0.814 0.000 2.720) 2.839 25.121 ( 0.487 0.000 -3.409) 3.444 25.121 ( 0.487 0.000 3.409) 3.444 =================== 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 3/25920 10.0 160.174 158.676 215.921 0.000 0.000 -0.000 3/25920 20.0 35.318 28.843 52.594 0.000 0.000 -0.000 3/25920 30.0 17.361 13.190 26.565 0.000 0.000 -0.000 3/25920 40.0 11.100 8.322 17.734 0.000 0.000 -0.000 3/25920 50.0 8.048 6.095 13.418 0.000 0.000 -0.000 3/25920 60.0 6.286 4.844 10.852 0.000 0.000 -0.000 3/25920 70.0 5.159 4.047 9.140 0.000 0.000 -0.000 3/25920 80.0 4.385 3.494 7.908 0.000 0.000 -0.000 3/25920 90.0 3.822 3.087 6.978 0.000 0.000 -0.000 3/25920 100.0 3.397 2.772 6.249 0.000 0.000 -0.000 3/25920 110.0 3.063 2.522 5.663 0.000 0.000 -0.000 3/25920 120.0 2.795 2.317 5.183 0.000 0.000 -0.000 3/25920 130.0 2.574 2.145 4.781 0.000 0.000 -0.000 3/25920 140.0 2.388 2.000 4.441 0.000 0.000 -0.000 3/25920 150.0 2.229 1.874 4.150 0.000 0.000 -0.000 3/25920 160.0 2.093 1.765 3.898 0.000 0.000 -0.000 3/25920 170.0 1.973 1.669 3.678 0.000 0.000 -0.000 3/25920 180.0 1.867 1.584 3.483 0.000 0.000 -0.000 3/25920 190.0 1.773 1.507 3.310 0.000 0.000 -0.000 3/25920 200.0 1.689 1.439 3.155 0.000 0.000 -0.000 3/25920 210.0 1.613 1.376 3.015 0.000 0.000 -0.000 3/25920 220.0 1.544 1.320 2.888 0.000 0.000 -0.000 3/25920 230.0 1.481 1.268 2.773 0.000 0.000 -0.000 3/25920 240.0 1.423 1.220 2.667 0.000 0.000 -0.000 3/25920 250.0 1.370 1.176 2.569 0.000 0.000 -0.000 3/25920 260.0 1.321 1.135 2.479 0.000 0.000 -0.000 3/25920 270.0 1.276 1.097 2.396 0.000 0.000 -0.000 3/25920 280.0 1.233 1.062 2.318 0.000 0.000 -0.000 3/25920 290.0 1.194 1.029 2.245 0.000 0.000 -0.000 3/25920 300.0 1.157 0.998 2.177 0.000 0.000 -0.000 3/25920 310.0 1.122 0.968 2.113 0.000 0.000 -0.000 3/25920 320.0 1.089 0.941 2.053 0.000 0.000 -0.000 3/25920 330.0 1.059 0.915 1.996 0.000 0.000 -0.000 3/25920 340.0 1.030 0.890 1.943 0.000 0.000 -0.000 3/25920 350.0 1.002 0.867 1.892 0.000 0.000 -0.000 3/25920 360.0 0.976 0.845 1.844 0.000 0.000 -0.000 3/25920 370.0 0.952 0.824 1.798 0.000 0.000 -0.000 3/25920 380.0 0.928 0.804 1.755 0.000 0.000 -0.000 3/25920 390.0 0.906 0.785 1.713 0.000 0.000 -0.000 3/25920 400.0 0.885 0.767 1.674 0.000 0.000 -0.000 3/25920 410.0 0.864 0.750 1.636 0.000 0.000 -0.000 3/25920 420.0 0.845 0.733 1.600 0.000 0.000 -0.000 3/25920 430.0 0.826 0.718 1.566 0.000 0.000 -0.000 3/25920 440.0 0.809 0.702 1.533 0.000 0.000 -0.000 3/25920 450.0 0.792 0.688 1.501 0.000 0.000 -0.000 3/25920 460.0 0.775 0.674 1.471 0.000 0.000 -0.000 3/25920 470.0 0.760 0.661 1.441 0.000 0.000 -0.000 3/25920 480.0 0.745 0.648 1.413 0.000 0.000 -0.000 3/25920 490.0 0.730 0.635 1.386 0.000 0.000 -0.000 3/25920 500.0 0.717 0.623 1.360 0.000 0.000 -0.000 3/25920 510.0 0.703 0.612 1.335 0.000 0.000 -0.000 3/25920 520.0 0.690 0.601 1.311 0.000 0.000 -0.000 3/25920 530.0 0.678 0.590 1.288 0.000 0.000 -0.000 3/25920 540.0 0.666 0.580 1.265 0.000 0.000 -0.000 3/25920 550.0 0.654 0.570 1.243 0.000 0.000 -0.000 3/25920 560.0 0.643 0.560 1.222 0.000 0.000 -0.000 3/25920 570.0 0.632 0.551 1.202 0.000 0.000 -0.000 3/25920 580.0 0.622 0.542 1.182 0.000 0.000 -0.000 3/25920 590.0 0.612 0.533 1.163 0.000 0.000 -0.000 3/25920 600.0 0.602 0.524 1.145 0.000 0.000 -0.000 3/25920 610.0 0.592 0.516 1.127 0.000 0.000 -0.000 3/25920 620.0 0.583 0.508 1.110 0.000 0.000 -0.000 3/25920 630.0 0.574 0.501 1.093 0.000 0.000 -0.000 3/25920 640.0 0.566 0.493 1.077 0.000 0.000 -0.000 3/25920 650.0 0.557 0.486 1.061 0.000 0.000 -0.000 3/25920 660.0 0.549 0.479 1.045 0.000 0.000 -0.000 3/25920 670.0 0.541 0.472 1.030 0.000 0.000 -0.000 3/25920 680.0 0.533 0.465 1.016 0.000 0.000 -0.000 3/25920 690.0 0.526 0.459 1.002 0.000 0.000 -0.000 3/25920 700.0 0.519 0.452 0.988 0.000 0.000 -0.000 3/25920 710.0 0.512 0.446 0.974 0.000 0.000 -0.000 3/25920 720.0 0.505 0.440 0.961 0.000 0.000 -0.000 3/25920 730.0 0.498 0.434 0.949 0.000 0.000 -0.000 3/25920 740.0 0.491 0.429 0.936 0.000 0.000 -0.000 3/25920 750.0 0.485 0.423 0.924 0.000 0.000 -0.000 3/25920 760.0 0.479 0.418 0.912 0.000 0.000 -0.000 3/25920 770.0 0.473 0.413 0.901 0.000 0.000 -0.000 3/25920 780.0 0.467 0.407 0.890 0.000 0.000 -0.000 3/25920 790.0 0.461 0.402 0.879 0.000 0.000 -0.000 3/25920 800.0 0.456 0.398 0.868 0.000 0.000 -0.000 3/25920 810.0 0.450 0.393 0.858 0.000 0.000 -0.000 3/25920 820.0 0.445 0.388 0.848 0.000 0.000 -0.000 3/25920 830.0 0.439 0.384 0.838 0.000 0.000 -0.000 3/25920 840.0 0.434 0.379 0.828 0.000 0.000 -0.000 3/25920 850.0 0.429 0.375 0.819 0.000 0.000 -0.000 3/25920 860.0 0.425 0.371 0.809 0.000 0.000 -0.000 3/25920 870.0 0.420 0.366 0.800 0.000 0.000 -0.000 3/25920 880.0 0.415 0.362 0.791 0.000 0.000 -0.000 3/25920 890.0 0.411 0.358 0.783 0.000 0.000 -0.000 3/25920 900.0 0.406 0.355 0.774 0.000 0.000 -0.000 3/25920 910.0 0.402 0.351 0.766 0.000 0.000 -0.000 3/25920 920.0 0.397 0.347 0.758 0.000 0.000 -0.000 3/25920 930.0 0.393 0.343 0.750 0.000 0.000 -0.000 3/25920 940.0 0.389 0.340 0.742 0.000 0.000 -0.000 3/25920 950.0 0.385 0.336 0.734 0.000 0.000 -0.000 3/25920 960.0 0.381 0.333 0.727 0.000 0.000 -0.000 3/25920 970.0 0.377 0.330 0.720 0.000 0.000 -0.000 3/25920 980.0 0.373 0.326 0.712 0.000 0.000 -0.000 3/25920 990.0 0.370 0.323 0.705 0.000 0.000 -0.000 3/25920 1000.0 0.366 0.320 0.699 0.000 0.000 -0.000 3/25920 Thermal conductivity related properties were written into "kappa-m3810.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-09 02:41:36]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|