----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-09 04:11:18]------------------------- Compiled with OpenMP support (max 128 threads). Running in phonopy.load mode. Python version 3.14.2 Spglib version 2.6.1 Crystal structure was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". Unit of length: angstrom Settings: Supercell: [3 1 1] Primitive matrix: [0.5 0.5 0. ] [-0.5 0.5 0. ] [0. 0. 1.] Spacegroup: Cmcm (63) Number of symmetry operations in supercell: 48 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 2.012493065000000 -7.042657319999999 0.000000000000000 b 2.012493065000000 7.042657319999999 0.000000000000000 c 0.000000000000000 0.000000000000000 16.517607089999998 Atomic positions (fractional): *1 K 0.05933927236937 0.94066072763063 0.25000000000000 39.098 2 K 0.94066072763063 0.05933927236937 0.75000000000000 39.098 *3 Tm 0.19220817283862 0.80779182716138 0.59280456200111 168.934 4 Tm 0.80779182716138 0.19220817283862 0.09280456200111 168.934 5 Tm 0.80779182716138 0.19220817283862 0.40719543799889 168.934 6 Tm 0.19220817283862 0.80779182716138 0.90719543799889 168.934 *7 Cu 0.41380712255884 0.58619287744116 0.52645784809328 63.546 8 Cu 0.58619287744116 0.41380712255884 0.02645784809328 63.546 9 Cu 0.58619287744116 0.41380712255884 0.47354215190672 63.546 10 Cu 0.41380712255884 0.58619287744116 0.97354215190672 63.546 *11 Cu 0.66008285735675 0.33991714264325 0.75000000000000 63.546 12 Cu 0.33991714264325 0.66008285735675 0.25000000000000 63.546 *13 Se 0.25258535049547 0.74741464950453 0.75000000000000 78.960 14 Se 0.74741464950453 0.25258535049547 0.25000000000000 78.960 *15 Se 0.55807051837896 0.44192948162104 0.62036293984712 78.960 16 Se 0.44192948162104 0.55807051837896 0.12036293984712 78.960 17 Se 0.44192948162104 0.55807051837896 0.37963706015288 78.960 18 Se 0.55807051837896 0.44192948162104 0.87963706015288 78.960 *19 Se 0.16489195755403 0.83510804244597 0.42678874309745 78.960 20 Se 0.83510804244598 0.16489195755402 0.92678874309745 78.960 21 Se 0.83510804244598 0.16489195755402 0.57321125690255 78.960 22 Se 0.16489195755403 0.83510804244597 0.07321125690255 78.960 -------------------------------- unit cell --------------------------------- Lattice vectors: a 4.024986130000000 0.000000000000000 0.000000000000000 b 0.000000000000000 14.085314639999998 0.000000000000000 c 0.000000000000000 0.000000000000000 16.517607089999998 Atomic positions (fractional): *1 K 0.50000000000000 0.44066072763063 0.25000000000000 39.098 > 1 2 K 0.00000000000000 0.05933927236937 0.75000000000000 39.098 > 2 3 K 0.00000000000000 0.94066072763063 0.25000000000000 39.098 > 1 4 K 0.50000000000000 0.55933927236937 0.75000000000000 39.098 > 2 *5 Tm 0.50000000000000 0.30779182716138 0.59280456200111 168.934 > 3 6 Tm 0.00000000000000 0.19220817283862 0.09280456200111 168.934 > 4 7 Tm 0.00000000000000 0.19220817283862 0.40719543799889 168.934 > 5 8 Tm 0.50000000000000 0.30779182716138 0.90719543799889 168.934 > 6 9 Tm 0.00000000000000 0.80779182716138 0.59280456200111 168.934 > 3 10 Tm 0.50000000000000 0.69220817283862 0.09280456200111 168.934 > 4 11 Tm 0.50000000000000 0.69220817283862 0.40719543799889 168.934 > 5 12 Tm 0.00000000000000 0.80779182716138 0.90719543799889 168.934 > 6 *13 Cu 0.50000000000000 0.08619287744116 0.52645784809328 63.546 > 7 14 Cu 0.00000000000000 0.41380712255884 0.02645784809328 63.546 > 8 15 Cu 0.00000000000000 0.41380712255884 0.47354215190672 63.546 > 9 16 Cu 0.50000000000000 0.08619287744116 0.97354215190672 63.546 > 10 *17 Cu 0.00000000000000 0.33991714264325 0.75000000000000 63.546 > 11 18 Cu 0.50000000000000 0.16008285735675 0.25000000000000 63.546 > 12 19 Cu 0.00000000000000 0.58619287744116 0.52645784809328 63.546 > 7 20 Cu 0.50000000000000 0.91380712255884 0.02645784809328 63.546 > 8 21 Cu 0.50000000000000 0.91380712255884 0.47354215190672 63.546 > 9 22 Cu 0.00000000000000 0.58619287744116 0.97354215190672 63.546 > 10 23 Cu 0.50000000000000 0.83991714264325 0.75000000000000 63.546 > 11 24 Cu 0.00000000000000 0.66008285735675 0.25000000000000 63.546 > 12 *25 Se 0.50000000000000 0.24741464950453 0.75000000000000 78.960 > 13 26 Se 0.00000000000000 0.25258535049547 0.25000000000000 78.960 > 14 *27 Se 0.00000000000000 0.44192948162104 0.62036293984712 78.960 > 15 28 Se 0.50000000000000 0.05807051837896 0.12036293984712 78.960 > 16 29 Se 0.50000000000000 0.05807051837896 0.37963706015288 78.960 > 17 30 Se 0.00000000000000 0.44192948162104 0.87963706015288 78.960 > 18 *31 Se 0.50000000000000 0.33510804244597 0.42678874309745 78.960 > 19 32 Se 0.00000000000000 0.16489195755402 0.92678874309745 78.960 > 20 33 Se 0.00000000000000 0.16489195755402 0.57321125690255 78.960 > 21 34 Se 0.50000000000000 0.33510804244597 0.07321125690255 78.960 > 22 35 Se 0.00000000000000 0.74741464950453 0.75000000000000 78.960 > 13 36 Se 0.50000000000000 0.75258535049547 0.25000000000000 78.960 > 14 37 Se 0.50000000000000 0.94192948162104 0.62036293984712 78.960 > 15 38 Se 0.00000000000000 0.55807051837896 0.12036293984712 78.960 > 16 39 Se 0.00000000000000 0.55807051837896 0.37963706015288 78.960 > 17 40 Se 0.50000000000000 0.94192948162104 0.87963706015288 78.960 > 18 41 Se 0.00000000000000 0.83510804244598 0.42678874309745 78.960 > 19 42 Se 0.50000000000000 0.66489195755402 0.92678874309745 78.960 > 20 43 Se 0.50000000000000 0.66489195755402 0.57321125690255 78.960 > 21 44 Se 0.00000000000000 0.83510804244598 0.07321125690255 78.960 > 22 -------------------------------- super cell -------------------------------- Lattice vectors: a 12.074958390000001 0.000000000000000 0.000000000000000 b 0.000000000000000 14.085314639999998 0.000000000000000 c 0.000000000000000 0.000000000000000 16.517607089999998 Atomic positions (fractional): *1 K 0.16666666666667 0.44066072763063 0.25000000000000 39.098 > 1 2 K 0.50000000000000 0.44066072763063 0.25000000000000 39.098 > 1 3 K 0.83333333333333 0.44066072763063 0.25000000000000 39.098 > 1 4 K 0.00000000000000 0.05933927236937 0.75000000000000 39.098 > 2 5 K 0.33333333333333 0.05933927236937 0.75000000000000 39.098 > 2 6 K 0.66666666666667 0.05933927236937 0.75000000000000 39.098 > 2 7 K 0.00000000000000 0.94066072763063 0.25000000000000 39.098 > 1 8 K 0.33333333333333 0.94066072763063 0.25000000000000 39.098 > 1 9 K 0.66666666666667 0.94066072763063 0.25000000000000 39.098 > 1 10 K 0.16666666666667 0.55933927236937 0.75000000000000 39.098 > 2 11 K 0.50000000000000 0.55933927236937 0.75000000000000 39.098 > 2 12 K 0.83333333333333 0.55933927236937 0.75000000000000 39.098 > 2 *13 Tm 0.16666666666667 0.30779182716138 0.59280456200111 168.934 > 3 14 Tm 0.50000000000000 0.30779182716138 0.59280456200111 168.934 > 3 15 Tm 0.83333333333333 0.30779182716138 0.59280456200111 168.934 > 3 16 Tm 0.00000000000000 0.19220817283862 0.09280456200111 168.934 > 4 17 Tm 0.33333333333333 0.19220817283862 0.09280456200111 168.934 > 4 18 Tm 0.66666666666667 0.19220817283862 0.09280456200111 168.934 > 4 19 Tm 0.00000000000000 0.19220817283862 0.40719543799889 168.934 > 5 20 Tm 0.33333333333333 0.19220817283862 0.40719543799889 168.934 > 5 21 Tm 0.66666666666667 0.19220817283862 0.40719543799889 168.934 > 5 22 Tm 0.16666666666667 0.30779182716138 0.90719543799889 168.934 > 6 23 Tm 0.50000000000000 0.30779182716138 0.90719543799889 168.934 > 6 24 Tm 0.83333333333333 0.30779182716138 0.90719543799889 168.934 > 6 25 Tm 0.00000000000000 0.80779182716138 0.59280456200111 168.934 > 3 26 Tm 0.33333333333333 0.80779182716138 0.59280456200111 168.934 > 3 27 Tm 0.66666666666667 0.80779182716138 0.59280456200111 168.934 > 3 28 Tm 0.16666666666667 0.69220817283862 0.09280456200111 168.934 > 4 29 Tm 0.50000000000000 0.69220817283862 0.09280456200111 168.934 > 4 30 Tm 0.83333333333333 0.69220817283862 0.09280456200111 168.934 > 4 31 Tm 0.16666666666667 0.69220817283862 0.40719543799889 168.934 > 5 32 Tm 0.50000000000000 0.69220817283862 0.40719543799889 168.934 > 5 33 Tm 0.83333333333333 0.69220817283862 0.40719543799889 168.934 > 5 34 Tm 0.00000000000000 0.80779182716138 0.90719543799889 168.934 > 6 35 Tm 0.33333333333333 0.80779182716138 0.90719543799889 168.934 > 6 36 Tm 0.66666666666667 0.80779182716138 0.90719543799889 168.934 > 6 *37 Cu 0.16666666666667 0.08619287744116 0.52645784809328 63.546 > 7 38 Cu 0.50000000000000 0.08619287744116 0.52645784809328 63.546 > 7 39 Cu 0.83333333333333 0.08619287744116 0.52645784809328 63.546 > 7 40 Cu 0.00000000000000 0.41380712255884 0.02645784809328 63.546 > 8 41 Cu 0.33333333333333 0.41380712255884 0.02645784809328 63.546 > 8 42 Cu 0.66666666666667 0.41380712255884 0.02645784809328 63.546 > 8 43 Cu 0.00000000000000 0.41380712255884 0.47354215190672 63.546 > 9 44 Cu 0.33333333333333 0.41380712255884 0.47354215190672 63.546 > 9 45 Cu 0.66666666666667 0.41380712255884 0.47354215190672 63.546 > 9 46 Cu 0.16666666666667 0.08619287744116 0.97354215190672 63.546 > 10 47 Cu 0.50000000000000 0.08619287744116 0.97354215190672 63.546 > 10 48 Cu 0.83333333333333 0.08619287744116 0.97354215190672 63.546 > 10 *49 Cu 0.00000000000000 0.33991714264325 0.75000000000000 63.546 > 11 50 Cu 0.33333333333333 0.33991714264325 0.75000000000000 63.546 > 11 51 Cu 0.66666666666667 0.33991714264325 0.75000000000000 63.546 > 11 52 Cu 0.16666666666667 0.16008285735675 0.25000000000000 63.546 > 12 53 Cu 0.50000000000000 0.16008285735675 0.25000000000000 63.546 > 12 54 Cu 0.83333333333333 0.16008285735675 0.25000000000000 63.546 > 12 55 Cu 0.00000000000000 0.58619287744116 0.52645784809328 63.546 > 7 56 Cu 0.33333333333333 0.58619287744116 0.52645784809328 63.546 > 7 57 Cu 0.66666666666667 0.58619287744116 0.52645784809328 63.546 > 7 58 Cu 0.16666666666667 0.91380712255884 0.02645784809328 63.546 > 8 59 Cu 0.50000000000000 0.91380712255884 0.02645784809328 63.546 > 8 60 Cu 0.83333333333333 0.91380712255884 0.02645784809328 63.546 > 8 61 Cu 0.16666666666667 0.91380712255884 0.47354215190672 63.546 > 9 62 Cu 0.50000000000000 0.91380712255884 0.47354215190672 63.546 > 9 63 Cu 0.83333333333333 0.91380712255884 0.47354215190672 63.546 > 9 64 Cu 0.00000000000000 0.58619287744116 0.97354215190672 63.546 > 10 65 Cu 0.33333333333333 0.58619287744116 0.97354215190672 63.546 > 10 66 Cu 0.66666666666667 0.58619287744116 0.97354215190672 63.546 > 10 67 Cu 0.16666666666667 0.83991714264325 0.75000000000000 63.546 > 11 68 Cu 0.50000000000000 0.83991714264325 0.75000000000000 63.546 > 11 69 Cu 0.83333333333333 0.83991714264325 0.75000000000000 63.546 > 11 70 Cu 0.00000000000000 0.66008285735675 0.25000000000000 63.546 > 12 71 Cu 0.33333333333333 0.66008285735675 0.25000000000000 63.546 > 12 72 Cu 0.66666666666667 0.66008285735675 0.25000000000000 63.546 > 12 *73 Se 0.16666666666667 0.24741464950453 0.75000000000000 78.960 > 13 74 Se 0.50000000000000 0.24741464950453 0.75000000000000 78.960 > 13 75 Se 0.83333333333333 0.24741464950453 0.75000000000000 78.960 > 13 76 Se 0.00000000000000 0.25258535049547 0.25000000000000 78.960 > 14 77 Se 0.33333333333333 0.25258535049547 0.25000000000000 78.960 > 14 78 Se 0.66666666666667 0.25258535049547 0.25000000000000 78.960 > 14 *79 Se 0.00000000000000 0.44192948162104 0.62036293984712 78.960 > 15 80 Se 0.33333333333333 0.44192948162104 0.62036293984712 78.960 > 15 81 Se 0.66666666666667 0.44192948162104 0.62036293984712 78.960 > 15 82 Se 0.16666666666667 0.05807051837896 0.12036293984712 78.960 > 16 83 Se 0.50000000000000 0.05807051837896 0.12036293984712 78.960 > 16 84 Se 0.83333333333333 0.05807051837896 0.12036293984712 78.960 > 16 85 Se 0.16666666666667 0.05807051837896 0.37963706015288 78.960 > 17 86 Se 0.50000000000000 0.05807051837896 0.37963706015288 78.960 > 17 87 Se 0.83333333333333 0.05807051837896 0.37963706015288 78.960 > 17 88 Se 0.00000000000000 0.44192948162104 0.87963706015288 78.960 > 18 89 Se 0.33333333333333 0.44192948162104 0.87963706015288 78.960 > 18 90 Se 0.66666666666667 0.44192948162104 0.87963706015288 78.960 > 18 *91 Se 0.16666666666667 0.33510804244597 0.42678874309745 78.960 > 19 92 Se 0.50000000000000 0.33510804244597 0.42678874309745 78.960 > 19 93 Se 0.83333333333333 0.33510804244597 0.42678874309745 78.960 > 19 94 Se 0.00000000000000 0.16489195755402 0.92678874309745 78.960 > 20 95 Se 0.33333333333333 0.16489195755402 0.92678874309745 78.960 > 20 96 Se 0.66666666666667 0.16489195755402 0.92678874309745 78.960 > 20 97 Se 0.00000000000000 0.16489195755402 0.57321125690255 78.960 > 21 98 Se 0.33333333333333 0.16489195755402 0.57321125690255 78.960 > 21 99 Se 0.66666666666667 0.16489195755402 0.57321125690255 78.960 > 21 100 Se 0.16666666666667 0.33510804244597 0.07321125690255 78.960 > 22 101 Se 0.50000000000000 0.33510804244597 0.07321125690255 78.960 > 22 102 Se 0.83333333333333 0.33510804244597 0.07321125690255 78.960 > 22 103 Se 0.00000000000000 0.74741464950453 0.75000000000000 78.960 > 13 104 Se 0.33333333333333 0.74741464950453 0.75000000000000 78.960 > 13 105 Se 0.66666666666667 0.74741464950453 0.75000000000000 78.960 > 13 106 Se 0.16666666666667 0.75258535049547 0.25000000000000 78.960 > 14 107 Se 0.50000000000000 0.75258535049547 0.25000000000000 78.960 > 14 108 Se 0.83333333333333 0.75258535049547 0.25000000000000 78.960 > 14 109 Se 0.16666666666667 0.94192948162104 0.62036293984712 78.960 > 15 110 Se 0.50000000000000 0.94192948162104 0.62036293984712 78.960 > 15 111 Se 0.83333333333333 0.94192948162104 0.62036293984712 78.960 > 15 112 Se 0.00000000000000 0.55807051837896 0.12036293984712 78.960 > 16 113 Se 0.33333333333333 0.55807051837896 0.12036293984712 78.960 > 16 114 Se 0.66666666666667 0.55807051837896 0.12036293984712 78.960 > 16 115 Se 0.00000000000000 0.55807051837896 0.37963706015288 78.960 > 17 116 Se 0.33333333333333 0.55807051837896 0.37963706015288 78.960 > 17 117 Se 0.66666666666667 0.55807051837896 0.37963706015288 78.960 > 17 118 Se 0.16666666666667 0.94192948162104 0.87963706015288 78.960 > 18 119 Se 0.50000000000000 0.94192948162104 0.87963706015288 78.960 > 18 120 Se 0.83333333333333 0.94192948162104 0.87963706015288 78.960 > 18 121 Se 0.00000000000000 0.83510804244598 0.42678874309745 78.960 > 19 122 Se 0.33333333333333 0.83510804244598 0.42678874309745 78.960 > 19 123 Se 0.66666666666667 0.83510804244598 0.42678874309745 78.960 > 19 124 Se 0.16666666666667 0.66489195755402 0.92678874309745 78.960 > 20 125 Se 0.50000000000000 0.66489195755402 0.92678874309745 78.960 > 20 126 Se 0.83333333333333 0.66489195755402 0.92678874309745 78.960 > 20 127 Se 0.16666666666667 0.66489195755402 0.57321125690255 78.960 > 21 128 Se 0.50000000000000 0.66489195755402 0.57321125690255 78.960 > 21 129 Se 0.83333333333333 0.66489195755402 0.57321125690255 78.960 > 21 130 Se 0.00000000000000 0.83510804244598 0.07321125690255 78.960 > 22 131 Se 0.33333333333333 0.83510804244598 0.07321125690255 78.960 > 22 132 Se 0.66666666666667 0.83510804244598 0.07321125690255 78.960 > 22 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 11.1290512 0.0000000 0.0000000 0.0000000 8.7876644 0.0000000 0.0000000 0.0000000 10.7861373 -------------------------- Born effective charges -------------------------- 1 K 1.1195143 0.0000000 0.0000000 0.0000000 1.5097282 0.0000000 0.0000000 0.0000000 1.6138427 2 K 1.1195143 0.0000000 0.0000000 0.0000000 1.5097282 0.0000000 0.0000000 0.0000000 1.6138427 3 Tm 4.5084080 0.0000000 0.0000000 0.0000000 2.8997892 0.9458157 0.0000000 0.0269209 4.1166736 4 Tm 4.5084080 0.0000000 0.0000000 0.0000000 2.8997892 -0.9458157 0.0000000 -0.0269209 4.1166736 5 Tm 4.5084080 0.0000000 0.0000000 0.0000000 2.8997892 0.9458157 0.0000000 0.0269209 4.1166736 6 Tm 4.5084080 0.0000000 0.0000000 0.0000000 2.8997892 -0.9458157 0.0000000 -0.0269209 4.1166736 7 Cu 0.9816425 0.0000000 0.0000000 0.0000000 1.3574413 -0.4376869 0.0000000 -0.2424680 1.0592195 8 Cu 0.9816425 0.0000000 0.0000000 0.0000000 1.3574413 0.4376869 0.0000000 0.2424680 1.0592195 9 Cu 0.9816425 0.0000000 0.0000000 0.0000000 1.3574413 -0.4376869 0.0000000 -0.2424680 1.0592195 10 Cu 0.9816425 0.0000000 0.0000000 0.0000000 1.3574413 0.4376869 0.0000000 0.2424680 1.0592195 11 Cu 0.7463865 0.0000000 0.0000000 0.0000000 0.5885745 0.0000000 0.0000000 0.0000000 1.2976334 12 Cu 0.7463865 0.0000000 0.0000000 0.0000000 0.5885745 0.0000000 0.0000000 0.0000000 1.2976334 13 Se -1.6620967 0.0000000 0.0000000 0.0000000 -1.8279629 0.0000000 0.0000000 0.0000000 -4.1180243 14 Se -1.6620967 0.0000000 0.0000000 0.0000000 -1.8279629 0.0000000 0.0000000 0.0000000 -4.1180243 15 Se -2.4116109 0.0000000 0.0000000 0.0000000 -2.2927633 0.0246278 0.0000000 0.4335345 -2.5264052 16 Se -2.4116109 0.0000000 0.0000000 0.0000000 -2.2927633 -0.0246278 0.0000000 -0.4335345 -2.5264052 17 Se -2.4116109 0.0000000 0.0000000 0.0000000 -2.2927633 0.0246278 0.0000000 0.4335345 -2.5264052 18 Se -2.4116109 0.0000000 0.0000000 0.0000000 -2.2927633 -0.0246278 0.0000000 -0.4335345 -2.5264052 19 Se -3.1803417 0.0000000 0.0000000 0.0000000 -2.0996373 -0.1398479 0.0000000 -0.4163141 -2.0462138 20 Se -3.1803417 0.0000000 0.0000000 0.0000000 -2.0996373 0.1398479 0.0000000 0.4163141 -2.0462138 21 Se -3.1803417 0.0000000 0.0000000 0.0000000 -2.0996373 -0.1398479 0.0000000 -0.4163141 -2.0462138 22 Se -3.1803417 0.0000000 0.0000000 0.0000000 -2.0996373 0.1398479 0.0000000 0.4163141 -2.0462138 ---------------------------------------------------------------------------- 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: 396/396 Permutation basis: 15339/15339 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 1844 Number of blocks in projector: 1844 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: 448 Use standard eigh solver. --- Eigsh_solver_block: 2 / 6 --- Block_size: 304 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 304 Use standard eigh solver. --- Eigsh_solver_block: 4 / 6 --- Block_size: 304 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 260 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 224 Use standard eigh solver. Tree of FC basis block matrices: - (1844, 1815), data: False |-- (224, 224), data: True |-- (260, 260), data: True |-- (304, 297), data: True |-- (304, 297), data: True |-- (304, 297), data: True |-- (448, 440), data: True ----- Solver_atoms: 1 -- 132 / 132 Time (Solver_compr_matrix_reshape): 0.004 Solver_block: 100 / 400 - Time: 3.382 Solver_block: 200 / 400 - Time: 3.413 Solver_block: 300 / 400 - Time: 3.407 Solver_block: 400 / 400 - Time: 3.406 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 13.665 --------------------------------- Symfc end -------------------------------- Max drift of force constants: 0.00000000 (zz) 0.00000000 (zz) Permutation basis: 396/396 Permutation basis: 15339/15339 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 1844 Number of blocks in projector: 1844 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: 448 Use standard eigh solver. --- Eigsh_solver_block: 2 / 6 --- Block_size: 304 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 304 Use standard eigh solver. --- Eigsh_solver_block: 4 / 6 --- Block_size: 304 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 260 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 224 Use standard eigh solver. Tree of FC basis block matrices: - (1844, 1815), data: False |-- (224, 224), data: True |-- (260, 260), data: True |-- (304, 297), data: True |-- (304, 297), data: True |-- (304, 297), data: True |-- (448, 440), data: True Max drift after symmetrization by symfc projector: 0.00000000 (zz) 0.00000000 (zz) Force constants are written into "force_constants.hdf5". ---------------------------------------------------------------------------- One of the following run modes may be specified for phonon calculations. - Mesh sampling (MESH, --mesh) - Q-points (QPOINTS, --qpoints) - Band structure (BAND, --band) - Animation (ANIME, --anime) - Modulation (MODULATION, --modulation) - Characters of Irreps (IRREPS, --irreps) - Create displacements (CREATE_DISPLACEMENTS, -d) ---------------------------------------------------------------------------- Summary of calculation was written in "phonopy.yaml". -------------------------[time 2026-01-09 04:11:52]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-09 04:11:53]------------------------- 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): [3 1 1] Primitive matrix: [0.5 0.5 0. ] [-0.5 0.5 0. ] [0. 0. 1.] Spacegroup: Cmcm (63) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 2.012493065000000 -7.042657319999999 0.000000000000000 b 2.012493065000000 7.042657319999999 0.000000000000000 c 0.000000000000000 0.000000000000000 16.517607089999998 Atomic positions (fractional): 1 K 0.05933927236937 0.94066072763063 0.25000000000000 39.098 2 K 0.94066072763063 0.05933927236937 0.75000000000000 39.098 3 Tm 0.19220817283862 0.80779182716138 0.59280456200111 168.934 4 Tm 0.80779182716138 0.19220817283862 0.09280456200111 168.934 5 Tm 0.80779182716138 0.19220817283862 0.40719543799889 168.934 6 Tm 0.19220817283862 0.80779182716138 0.90719543799889 168.934 7 Cu 0.41380712255884 0.58619287744116 0.52645784809328 63.546 8 Cu 0.58619287744116 0.41380712255884 0.02645784809328 63.546 9 Cu 0.58619287744116 0.41380712255884 0.47354215190672 63.546 10 Cu 0.41380712255884 0.58619287744116 0.97354215190672 63.546 11 Cu 0.66008285735675 0.33991714264325 0.75000000000000 63.546 12 Cu 0.33991714264325 0.66008285735675 0.25000000000000 63.546 13 Se 0.25258535049547 0.74741464950453 0.75000000000000 78.960 14 Se 0.74741464950453 0.25258535049547 0.25000000000000 78.960 15 Se 0.55807051837896 0.44192948162104 0.62036293984712 78.960 16 Se 0.44192948162104 0.55807051837896 0.12036293984712 78.960 17 Se 0.44192948162104 0.55807051837896 0.37963706015288 78.960 18 Se 0.55807051837896 0.44192948162104 0.87963706015288 78.960 19 Se 0.16489195755403 0.83510804244597 0.42678874309745 78.960 20 Se 0.83510804244598 0.16489195755402 0.92678874309745 78.960 21 Se 0.83510804244598 0.16489195755402 0.57321125690255 78.960 22 Se 0.16489195755403 0.83510804244597 0.07321125690255 78.960 -------------------------------- supercell --------------------------------- Lattice vectors: a 12.074958390000001 0.000000000000000 0.000000000000000 b 0.000000000000000 14.085314639999998 0.000000000000000 c 0.000000000000000 0.000000000000000 16.517607089999998 Atomic positions (fractional): 1 K 0.16666666666667 0.44066072763063 0.25000000000000 39.098 > 1 2 K 0.50000000000000 0.44066072763063 0.25000000000000 39.098 > 1 3 K 0.83333333333333 0.44066072763063 0.25000000000000 39.098 > 1 4 K 0.00000000000000 0.05933927236937 0.75000000000000 39.098 > 4 5 K 0.33333333333333 0.05933927236937 0.75000000000000 39.098 > 4 6 K 0.66666666666667 0.05933927236937 0.75000000000000 39.098 > 4 7 K 0.00000000000000 0.94066072763063 0.25000000000000 39.098 > 1 8 K 0.33333333333333 0.94066072763063 0.25000000000000 39.098 > 1 9 K 0.66666666666667 0.94066072763063 0.25000000000000 39.098 > 1 10 K 0.16666666666667 0.55933927236937 0.75000000000000 39.098 > 4 11 K 0.50000000000000 0.55933927236937 0.75000000000000 39.098 > 4 12 K 0.83333333333333 0.55933927236937 0.75000000000000 39.098 > 4 13 Tm 0.16666666666667 0.30779182716138 0.59280456200111 168.934 > 13 14 Tm 0.50000000000000 0.30779182716138 0.59280456200111 168.934 > 13 15 Tm 0.83333333333333 0.30779182716138 0.59280456200111 168.934 > 13 16 Tm 0.00000000000000 0.19220817283862 0.09280456200111 168.934 > 16 17 Tm 0.33333333333333 0.19220817283862 0.09280456200111 168.934 > 16 18 Tm 0.66666666666667 0.19220817283862 0.09280456200111 168.934 > 16 19 Tm 0.00000000000000 0.19220817283862 0.40719543799889 168.934 > 19 20 Tm 0.33333333333333 0.19220817283862 0.40719543799889 168.934 > 19 21 Tm 0.66666666666667 0.19220817283862 0.40719543799889 168.934 > 19 22 Tm 0.16666666666667 0.30779182716138 0.90719543799889 168.934 > 22 23 Tm 0.50000000000000 0.30779182716138 0.90719543799889 168.934 > 22 24 Tm 0.83333333333333 0.30779182716138 0.90719543799889 168.934 > 22 25 Tm 0.00000000000000 0.80779182716138 0.59280456200111 168.934 > 13 26 Tm 0.33333333333333 0.80779182716138 0.59280456200111 168.934 > 13 27 Tm 0.66666666666667 0.80779182716138 0.59280456200111 168.934 > 13 28 Tm 0.16666666666667 0.69220817283862 0.09280456200111 168.934 > 16 29 Tm 0.50000000000000 0.69220817283862 0.09280456200111 168.934 > 16 30 Tm 0.83333333333333 0.69220817283862 0.09280456200111 168.934 > 16 31 Tm 0.16666666666667 0.69220817283862 0.40719543799889 168.934 > 19 32 Tm 0.50000000000000 0.69220817283862 0.40719543799889 168.934 > 19 33 Tm 0.83333333333333 0.69220817283862 0.40719543799889 168.934 > 19 34 Tm 0.00000000000000 0.80779182716138 0.90719543799889 168.934 > 22 35 Tm 0.33333333333333 0.80779182716138 0.90719543799889 168.934 > 22 36 Tm 0.66666666666667 0.80779182716138 0.90719543799889 168.934 > 22 37 Cu 0.16666666666667 0.08619287744116 0.52645784809328 63.546 > 37 38 Cu 0.50000000000000 0.08619287744116 0.52645784809328 63.546 > 37 39 Cu 0.83333333333333 0.08619287744116 0.52645784809328 63.546 > 37 40 Cu 0.00000000000000 0.41380712255884 0.02645784809328 63.546 > 40 41 Cu 0.33333333333333 0.41380712255884 0.02645784809328 63.546 > 40 42 Cu 0.66666666666667 0.41380712255884 0.02645784809328 63.546 > 40 43 Cu 0.00000000000000 0.41380712255884 0.47354215190672 63.546 > 43 44 Cu 0.33333333333333 0.41380712255884 0.47354215190672 63.546 > 43 45 Cu 0.66666666666667 0.41380712255884 0.47354215190672 63.546 > 43 46 Cu 0.16666666666667 0.08619287744116 0.97354215190672 63.546 > 46 47 Cu 0.50000000000000 0.08619287744116 0.97354215190672 63.546 > 46 48 Cu 0.83333333333333 0.08619287744116 0.97354215190672 63.546 > 46 49 Cu 0.00000000000000 0.33991714264325 0.75000000000000 63.546 > 49 50 Cu 0.33333333333333 0.33991714264325 0.75000000000000 63.546 > 49 51 Cu 0.66666666666667 0.33991714264325 0.75000000000000 63.546 > 49 52 Cu 0.16666666666667 0.16008285735675 0.25000000000000 63.546 > 52 53 Cu 0.50000000000000 0.16008285735675 0.25000000000000 63.546 > 52 54 Cu 0.83333333333333 0.16008285735675 0.25000000000000 63.546 > 52 55 Cu 0.00000000000000 0.58619287744116 0.52645784809328 63.546 > 37 56 Cu 0.33333333333333 0.58619287744116 0.52645784809328 63.546 > 37 57 Cu 0.66666666666667 0.58619287744116 0.52645784809328 63.546 > 37 58 Cu 0.16666666666667 0.91380712255884 0.02645784809328 63.546 > 40 59 Cu 0.50000000000000 0.91380712255884 0.02645784809328 63.546 > 40 60 Cu 0.83333333333333 0.91380712255884 0.02645784809328 63.546 > 40 61 Cu 0.16666666666667 0.91380712255884 0.47354215190672 63.546 > 43 62 Cu 0.50000000000000 0.91380712255884 0.47354215190672 63.546 > 43 63 Cu 0.83333333333333 0.91380712255884 0.47354215190672 63.546 > 43 64 Cu 0.00000000000000 0.58619287744116 0.97354215190672 63.546 > 46 65 Cu 0.33333333333333 0.58619287744116 0.97354215190672 63.546 > 46 66 Cu 0.66666666666667 0.58619287744116 0.97354215190672 63.546 > 46 67 Cu 0.16666666666667 0.83991714264325 0.75000000000000 63.546 > 49 68 Cu 0.50000000000000 0.83991714264325 0.75000000000000 63.546 > 49 69 Cu 0.83333333333333 0.83991714264325 0.75000000000000 63.546 > 49 70 Cu 0.00000000000000 0.66008285735675 0.25000000000000 63.546 > 52 71 Cu 0.33333333333333 0.66008285735675 0.25000000000000 63.546 > 52 72 Cu 0.66666666666667 0.66008285735675 0.25000000000000 63.546 > 52 73 Se 0.16666666666667 0.24741464950453 0.75000000000000 78.960 > 73 74 Se 0.50000000000000 0.24741464950453 0.75000000000000 78.960 > 73 75 Se 0.83333333333333 0.24741464950453 0.75000000000000 78.960 > 73 76 Se 0.00000000000000 0.25258535049547 0.25000000000000 78.960 > 76 77 Se 0.33333333333333 0.25258535049547 0.25000000000000 78.960 > 76 78 Se 0.66666666666667 0.25258535049547 0.25000000000000 78.960 > 76 79 Se 0.00000000000000 0.44192948162104 0.62036293984712 78.960 > 79 80 Se 0.33333333333333 0.44192948162104 0.62036293984712 78.960 > 79 81 Se 0.66666666666667 0.44192948162104 0.62036293984712 78.960 > 79 82 Se 0.16666666666667 0.05807051837896 0.12036293984712 78.960 > 82 83 Se 0.50000000000000 0.05807051837896 0.12036293984712 78.960 > 82 84 Se 0.83333333333333 0.05807051837896 0.12036293984712 78.960 > 82 85 Se 0.16666666666667 0.05807051837896 0.37963706015288 78.960 > 85 86 Se 0.50000000000000 0.05807051837896 0.37963706015288 78.960 > 85 87 Se 0.83333333333333 0.05807051837896 0.37963706015288 78.960 > 85 88 Se 0.00000000000000 0.44192948162104 0.87963706015288 78.960 > 88 89 Se 0.33333333333333 0.44192948162104 0.87963706015288 78.960 > 88 90 Se 0.66666666666667 0.44192948162104 0.87963706015288 78.960 > 88 91 Se 0.16666666666667 0.33510804244597 0.42678874309745 78.960 > 91 92 Se 0.50000000000000 0.33510804244597 0.42678874309745 78.960 > 91 93 Se 0.83333333333333 0.33510804244597 0.42678874309745 78.960 > 91 94 Se 0.00000000000000 0.16489195755402 0.92678874309745 78.960 > 94 95 Se 0.33333333333333 0.16489195755402 0.92678874309745 78.960 > 94 96 Se 0.66666666666667 0.16489195755402 0.92678874309745 78.960 > 94 97 Se 0.00000000000000 0.16489195755402 0.57321125690255 78.960 > 97 98 Se 0.33333333333333 0.16489195755402 0.57321125690255 78.960 > 97 99 Se 0.66666666666667 0.16489195755402 0.57321125690255 78.960 > 97 100 Se 0.16666666666667 0.33510804244597 0.07321125690255 78.960 > 100 101 Se 0.50000000000000 0.33510804244597 0.07321125690255 78.960 > 100 102 Se 0.83333333333333 0.33510804244597 0.07321125690255 78.960 > 100 103 Se 0.00000000000000 0.74741464950453 0.75000000000000 78.960 > 73 104 Se 0.33333333333333 0.74741464950453 0.75000000000000 78.960 > 73 105 Se 0.66666666666667 0.74741464950453 0.75000000000000 78.960 > 73 106 Se 0.16666666666667 0.75258535049547 0.25000000000000 78.960 > 76 107 Se 0.50000000000000 0.75258535049547 0.25000000000000 78.960 > 76 108 Se 0.83333333333333 0.75258535049547 0.25000000000000 78.960 > 76 109 Se 0.16666666666667 0.94192948162104 0.62036293984712 78.960 > 79 110 Se 0.50000000000000 0.94192948162104 0.62036293984712 78.960 > 79 111 Se 0.83333333333333 0.94192948162104 0.62036293984712 78.960 > 79 112 Se 0.00000000000000 0.55807051837896 0.12036293984712 78.960 > 82 113 Se 0.33333333333333 0.55807051837896 0.12036293984712 78.960 > 82 114 Se 0.66666666666667 0.55807051837896 0.12036293984712 78.960 > 82 115 Se 0.00000000000000 0.55807051837896 0.37963706015288 78.960 > 85 116 Se 0.33333333333333 0.55807051837896 0.37963706015288 78.960 > 85 117 Se 0.66666666666667 0.55807051837896 0.37963706015288 78.960 > 85 118 Se 0.16666666666667 0.94192948162104 0.87963706015288 78.960 > 88 119 Se 0.50000000000000 0.94192948162104 0.87963706015288 78.960 > 88 120 Se 0.83333333333333 0.94192948162104 0.87963706015288 78.960 > 88 121 Se 0.00000000000000 0.83510804244598 0.42678874309745 78.960 > 91 122 Se 0.33333333333333 0.83510804244598 0.42678874309745 78.960 > 91 123 Se 0.66666666666667 0.83510804244598 0.42678874309745 78.960 > 91 124 Se 0.16666666666667 0.66489195755402 0.92678874309745 78.960 > 94 125 Se 0.50000000000000 0.66489195755402 0.92678874309745 78.960 > 94 126 Se 0.83333333333333 0.66489195755402 0.92678874309745 78.960 > 94 127 Se 0.16666666666667 0.66489195755402 0.57321125690255 78.960 > 97 128 Se 0.50000000000000 0.66489195755402 0.57321125690255 78.960 > 97 129 Se 0.83333333333333 0.66489195755402 0.57321125690255 78.960 > 97 130 Se 0.00000000000000 0.83510804244598 0.07321125690255 78.960 > 100 131 Se 0.33333333333333 0.83510804244598 0.07321125690255 78.960 > 100 132 Se 0.66666666666667 0.83510804244598 0.07321125690255 78.960 > 100 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 11.1290512 0.0000000 0.0000000 0.0000000 8.7876644 0.0000000 0.0000000 0.0000000 10.7861373 -------------------------- Born effective charges -------------------------- 1 K 1.1195143 0.0000000 0.0000000 0.0000000 1.5097282 0.0000000 0.0000000 0.0000000 1.6138427 2 K 1.1195143 0.0000000 0.0000000 0.0000000 1.5097282 0.0000000 0.0000000 0.0000000 1.6138427 3 Tm 4.5084080 0.0000000 0.0000000 0.0000000 2.8997892 0.9458157 0.0000000 0.0269209 4.1166736 4 Tm 4.5084080 0.0000000 0.0000000 0.0000000 2.8997892 -0.9458157 0.0000000 -0.0269209 4.1166736 5 Tm 4.5084080 0.0000000 0.0000000 0.0000000 2.8997892 0.9458157 0.0000000 0.0269209 4.1166736 6 Tm 4.5084080 0.0000000 0.0000000 0.0000000 2.8997892 -0.9458157 0.0000000 -0.0269209 4.1166736 7 Cu 0.9816425 0.0000000 0.0000000 0.0000000 1.3574413 -0.4376869 0.0000000 -0.2424680 1.0592195 8 Cu 0.9816425 0.0000000 0.0000000 0.0000000 1.3574413 0.4376869 0.0000000 0.2424680 1.0592195 9 Cu 0.9816425 0.0000000 0.0000000 0.0000000 1.3574413 -0.4376869 0.0000000 -0.2424680 1.0592195 10 Cu 0.9816425 0.0000000 0.0000000 0.0000000 1.3574413 0.4376869 0.0000000 0.2424680 1.0592195 11 Cu 0.7463865 0.0000000 0.0000000 0.0000000 0.5885745 0.0000000 0.0000000 0.0000000 1.2976334 12 Cu 0.7463865 0.0000000 0.0000000 0.0000000 0.5885745 0.0000000 0.0000000 0.0000000 1.2976334 13 Se -1.6620967 0.0000000 0.0000000 0.0000000 -1.8279629 0.0000000 0.0000000 0.0000000 -4.1180243 14 Se -1.6620967 0.0000000 0.0000000 0.0000000 -1.8279629 0.0000000 0.0000000 0.0000000 -4.1180243 15 Se -2.4116109 0.0000000 0.0000000 0.0000000 -2.2927633 0.0246278 0.0000000 0.4335345 -2.5264052 16 Se -2.4116109 0.0000000 0.0000000 0.0000000 -2.2927633 -0.0246278 0.0000000 -0.4335345 -2.5264052 17 Se -2.4116109 0.0000000 0.0000000 0.0000000 -2.2927633 0.0246278 0.0000000 0.4335345 -2.5264052 18 Se -2.4116109 0.0000000 0.0000000 0.0000000 -2.2927633 -0.0246278 0.0000000 -0.4335345 -2.5264052 19 Se -3.1803417 0.0000000 0.0000000 0.0000000 -2.0996373 -0.1398479 0.0000000 -0.4163141 -2.0462138 20 Se -3.1803417 0.0000000 0.0000000 0.0000000 -2.0996373 0.1398479 0.0000000 0.4163141 -2.0462138 21 Se -3.1803417 0.0000000 0.0000000 0.0000000 -2.0996373 -0.1398479 0.0000000 -0.4163141 -2.0462138 22 Se -3.1803417 0.0000000 0.0000000 0.0000000 -2.0996373 0.1398479 0.0000000 0.4163141 -2.0462138 ---------------------------------------------------------------------------- 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[ 13, 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[ 37, 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[ 73, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 79, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 91, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Expanding fc3. Symmetrizing fc3 by traditional approach (N=3). Symmetrizing fc2 by traditional approach (N=3). Max drift of fc3: 0.00000000 (yyy) 0.00000000 (yyy) 0.00000000 (yyy) fc3 was written into "fc3.hdf5". Max drift of fc2: -0.00000000 (yz) -0.00000000 (yz) 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 04:12:20]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-09 04:12:20]------------------------- 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): [3 1 1] Primitive matrix: [0.5 0.5 0. ] [-0.5 0.5 0. ] [0. 0. 1.] Spacegroup: Cmcm (63) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 2.012493065000000 -7.042657319999999 0.000000000000000 b 2.012493065000000 7.042657319999999 0.000000000000000 c 0.000000000000000 0.000000000000000 16.517607089999998 Atomic positions (fractional): 1 K 0.05933927236937 0.94066072763063 0.25000000000000 39.098 2 K 0.94066072763063 0.05933927236937 0.75000000000000 39.098 3 Tm 0.19220817283862 0.80779182716138 0.59280456200111 168.934 4 Tm 0.80779182716138 0.19220817283862 0.09280456200111 168.934 5 Tm 0.80779182716138 0.19220817283862 0.40719543799889 168.934 6 Tm 0.19220817283862 0.80779182716138 0.90719543799889 168.934 7 Cu 0.41380712255884 0.58619287744116 0.52645784809328 63.546 8 Cu 0.58619287744116 0.41380712255884 0.02645784809328 63.546 9 Cu 0.58619287744116 0.41380712255884 0.47354215190672 63.546 10 Cu 0.41380712255884 0.58619287744116 0.97354215190672 63.546 11 Cu 0.66008285735675 0.33991714264325 0.75000000000000 63.546 12 Cu 0.33991714264325 0.66008285735675 0.25000000000000 63.546 13 Se 0.25258535049547 0.74741464950453 0.75000000000000 78.960 14 Se 0.74741464950453 0.25258535049547 0.25000000000000 78.960 15 Se 0.55807051837896 0.44192948162104 0.62036293984712 78.960 16 Se 0.44192948162104 0.55807051837896 0.12036293984712 78.960 17 Se 0.44192948162104 0.55807051837896 0.37963706015288 78.960 18 Se 0.55807051837896 0.44192948162104 0.87963706015288 78.960 19 Se 0.16489195755403 0.83510804244597 0.42678874309745 78.960 20 Se 0.83510804244598 0.16489195755402 0.92678874309745 78.960 21 Se 0.83510804244598 0.16489195755402 0.57321125690255 78.960 22 Se 0.16489195755403 0.83510804244597 0.07321125690255 78.960 -------------------------------- supercell --------------------------------- Lattice vectors: a 12.074958390000001 0.000000000000000 0.000000000000000 b 0.000000000000000 14.085314639999998 0.000000000000000 c 0.000000000000000 0.000000000000000 16.517607089999998 Atomic positions (fractional): 1 K 0.16666666666667 0.44066072763063 0.25000000000000 39.098 > 1 2 K 0.50000000000000 0.44066072763063 0.25000000000000 39.098 > 1 3 K 0.83333333333333 0.44066072763063 0.25000000000000 39.098 > 1 4 K 0.00000000000000 0.05933927236937 0.75000000000000 39.098 > 4 5 K 0.33333333333333 0.05933927236937 0.75000000000000 39.098 > 4 6 K 0.66666666666667 0.05933927236937 0.75000000000000 39.098 > 4 7 K 0.00000000000000 0.94066072763063 0.25000000000000 39.098 > 1 8 K 0.33333333333333 0.94066072763063 0.25000000000000 39.098 > 1 9 K 0.66666666666667 0.94066072763063 0.25000000000000 39.098 > 1 10 K 0.16666666666667 0.55933927236937 0.75000000000000 39.098 > 4 11 K 0.50000000000000 0.55933927236937 0.75000000000000 39.098 > 4 12 K 0.83333333333333 0.55933927236937 0.75000000000000 39.098 > 4 13 Tm 0.16666666666667 0.30779182716138 0.59280456200111 168.934 > 13 14 Tm 0.50000000000000 0.30779182716138 0.59280456200111 168.934 > 13 15 Tm 0.83333333333333 0.30779182716138 0.59280456200111 168.934 > 13 16 Tm 0.00000000000000 0.19220817283862 0.09280456200111 168.934 > 16 17 Tm 0.33333333333333 0.19220817283862 0.09280456200111 168.934 > 16 18 Tm 0.66666666666667 0.19220817283862 0.09280456200111 168.934 > 16 19 Tm 0.00000000000000 0.19220817283862 0.40719543799889 168.934 > 19 20 Tm 0.33333333333333 0.19220817283862 0.40719543799889 168.934 > 19 21 Tm 0.66666666666667 0.19220817283862 0.40719543799889 168.934 > 19 22 Tm 0.16666666666667 0.30779182716138 0.90719543799889 168.934 > 22 23 Tm 0.50000000000000 0.30779182716138 0.90719543799889 168.934 > 22 24 Tm 0.83333333333333 0.30779182716138 0.90719543799889 168.934 > 22 25 Tm 0.00000000000000 0.80779182716138 0.59280456200111 168.934 > 13 26 Tm 0.33333333333333 0.80779182716138 0.59280456200111 168.934 > 13 27 Tm 0.66666666666667 0.80779182716138 0.59280456200111 168.934 > 13 28 Tm 0.16666666666667 0.69220817283862 0.09280456200111 168.934 > 16 29 Tm 0.50000000000000 0.69220817283862 0.09280456200111 168.934 > 16 30 Tm 0.83333333333333 0.69220817283862 0.09280456200111 168.934 > 16 31 Tm 0.16666666666667 0.69220817283862 0.40719543799889 168.934 > 19 32 Tm 0.50000000000000 0.69220817283862 0.40719543799889 168.934 > 19 33 Tm 0.83333333333333 0.69220817283862 0.40719543799889 168.934 > 19 34 Tm 0.00000000000000 0.80779182716138 0.90719543799889 168.934 > 22 35 Tm 0.33333333333333 0.80779182716138 0.90719543799889 168.934 > 22 36 Tm 0.66666666666667 0.80779182716138 0.90719543799889 168.934 > 22 37 Cu 0.16666666666667 0.08619287744116 0.52645784809328 63.546 > 37 38 Cu 0.50000000000000 0.08619287744116 0.52645784809328 63.546 > 37 39 Cu 0.83333333333333 0.08619287744116 0.52645784809328 63.546 > 37 40 Cu 0.00000000000000 0.41380712255884 0.02645784809328 63.546 > 40 41 Cu 0.33333333333333 0.41380712255884 0.02645784809328 63.546 > 40 42 Cu 0.66666666666667 0.41380712255884 0.02645784809328 63.546 > 40 43 Cu 0.00000000000000 0.41380712255884 0.47354215190672 63.546 > 43 44 Cu 0.33333333333333 0.41380712255884 0.47354215190672 63.546 > 43 45 Cu 0.66666666666667 0.41380712255884 0.47354215190672 63.546 > 43 46 Cu 0.16666666666667 0.08619287744116 0.97354215190672 63.546 > 46 47 Cu 0.50000000000000 0.08619287744116 0.97354215190672 63.546 > 46 48 Cu 0.83333333333333 0.08619287744116 0.97354215190672 63.546 > 46 49 Cu 0.00000000000000 0.33991714264325 0.75000000000000 63.546 > 49 50 Cu 0.33333333333333 0.33991714264325 0.75000000000000 63.546 > 49 51 Cu 0.66666666666667 0.33991714264325 0.75000000000000 63.546 > 49 52 Cu 0.16666666666667 0.16008285735675 0.25000000000000 63.546 > 52 53 Cu 0.50000000000000 0.16008285735675 0.25000000000000 63.546 > 52 54 Cu 0.83333333333333 0.16008285735675 0.25000000000000 63.546 > 52 55 Cu 0.00000000000000 0.58619287744116 0.52645784809328 63.546 > 37 56 Cu 0.33333333333333 0.58619287744116 0.52645784809328 63.546 > 37 57 Cu 0.66666666666667 0.58619287744116 0.52645784809328 63.546 > 37 58 Cu 0.16666666666667 0.91380712255884 0.02645784809328 63.546 > 40 59 Cu 0.50000000000000 0.91380712255884 0.02645784809328 63.546 > 40 60 Cu 0.83333333333333 0.91380712255884 0.02645784809328 63.546 > 40 61 Cu 0.16666666666667 0.91380712255884 0.47354215190672 63.546 > 43 62 Cu 0.50000000000000 0.91380712255884 0.47354215190672 63.546 > 43 63 Cu 0.83333333333333 0.91380712255884 0.47354215190672 63.546 > 43 64 Cu 0.00000000000000 0.58619287744116 0.97354215190672 63.546 > 46 65 Cu 0.33333333333333 0.58619287744116 0.97354215190672 63.546 > 46 66 Cu 0.66666666666667 0.58619287744116 0.97354215190672 63.546 > 46 67 Cu 0.16666666666667 0.83991714264325 0.75000000000000 63.546 > 49 68 Cu 0.50000000000000 0.83991714264325 0.75000000000000 63.546 > 49 69 Cu 0.83333333333333 0.83991714264325 0.75000000000000 63.546 > 49 70 Cu 0.00000000000000 0.66008285735675 0.25000000000000 63.546 > 52 71 Cu 0.33333333333333 0.66008285735675 0.25000000000000 63.546 > 52 72 Cu 0.66666666666667 0.66008285735675 0.25000000000000 63.546 > 52 73 Se 0.16666666666667 0.24741464950453 0.75000000000000 78.960 > 73 74 Se 0.50000000000000 0.24741464950453 0.75000000000000 78.960 > 73 75 Se 0.83333333333333 0.24741464950453 0.75000000000000 78.960 > 73 76 Se 0.00000000000000 0.25258535049547 0.25000000000000 78.960 > 76 77 Se 0.33333333333333 0.25258535049547 0.25000000000000 78.960 > 76 78 Se 0.66666666666667 0.25258535049547 0.25000000000000 78.960 > 76 79 Se 0.00000000000000 0.44192948162104 0.62036293984712 78.960 > 79 80 Se 0.33333333333333 0.44192948162104 0.62036293984712 78.960 > 79 81 Se 0.66666666666667 0.44192948162104 0.62036293984712 78.960 > 79 82 Se 0.16666666666667 0.05807051837896 0.12036293984712 78.960 > 82 83 Se 0.50000000000000 0.05807051837896 0.12036293984712 78.960 > 82 84 Se 0.83333333333333 0.05807051837896 0.12036293984712 78.960 > 82 85 Se 0.16666666666667 0.05807051837896 0.37963706015288 78.960 > 85 86 Se 0.50000000000000 0.05807051837896 0.37963706015288 78.960 > 85 87 Se 0.83333333333333 0.05807051837896 0.37963706015288 78.960 > 85 88 Se 0.00000000000000 0.44192948162104 0.87963706015288 78.960 > 88 89 Se 0.33333333333333 0.44192948162104 0.87963706015288 78.960 > 88 90 Se 0.66666666666667 0.44192948162104 0.87963706015288 78.960 > 88 91 Se 0.16666666666667 0.33510804244597 0.42678874309745 78.960 > 91 92 Se 0.50000000000000 0.33510804244597 0.42678874309745 78.960 > 91 93 Se 0.83333333333333 0.33510804244597 0.42678874309745 78.960 > 91 94 Se 0.00000000000000 0.16489195755402 0.92678874309745 78.960 > 94 95 Se 0.33333333333333 0.16489195755402 0.92678874309745 78.960 > 94 96 Se 0.66666666666667 0.16489195755402 0.92678874309745 78.960 > 94 97 Se 0.00000000000000 0.16489195755402 0.57321125690255 78.960 > 97 98 Se 0.33333333333333 0.16489195755402 0.57321125690255 78.960 > 97 99 Se 0.66666666666667 0.16489195755402 0.57321125690255 78.960 > 97 100 Se 0.16666666666667 0.33510804244597 0.07321125690255 78.960 > 100 101 Se 0.50000000000000 0.33510804244597 0.07321125690255 78.960 > 100 102 Se 0.83333333333333 0.33510804244597 0.07321125690255 78.960 > 100 103 Se 0.00000000000000 0.74741464950453 0.75000000000000 78.960 > 73 104 Se 0.33333333333333 0.74741464950453 0.75000000000000 78.960 > 73 105 Se 0.66666666666667 0.74741464950453 0.75000000000000 78.960 > 73 106 Se 0.16666666666667 0.75258535049547 0.25000000000000 78.960 > 76 107 Se 0.50000000000000 0.75258535049547 0.25000000000000 78.960 > 76 108 Se 0.83333333333333 0.75258535049547 0.25000000000000 78.960 > 76 109 Se 0.16666666666667 0.94192948162104 0.62036293984712 78.960 > 79 110 Se 0.50000000000000 0.94192948162104 0.62036293984712 78.960 > 79 111 Se 0.83333333333333 0.94192948162104 0.62036293984712 78.960 > 79 112 Se 0.00000000000000 0.55807051837896 0.12036293984712 78.960 > 82 113 Se 0.33333333333333 0.55807051837896 0.12036293984712 78.960 > 82 114 Se 0.66666666666667 0.55807051837896 0.12036293984712 78.960 > 82 115 Se 0.00000000000000 0.55807051837896 0.37963706015288 78.960 > 85 116 Se 0.33333333333333 0.55807051837896 0.37963706015288 78.960 > 85 117 Se 0.66666666666667 0.55807051837896 0.37963706015288 78.960 > 85 118 Se 0.16666666666667 0.94192948162104 0.87963706015288 78.960 > 88 119 Se 0.50000000000000 0.94192948162104 0.87963706015288 78.960 > 88 120 Se 0.83333333333333 0.94192948162104 0.87963706015288 78.960 > 88 121 Se 0.00000000000000 0.83510804244598 0.42678874309745 78.960 > 91 122 Se 0.33333333333333 0.83510804244598 0.42678874309745 78.960 > 91 123 Se 0.66666666666667 0.83510804244598 0.42678874309745 78.960 > 91 124 Se 0.16666666666667 0.66489195755402 0.92678874309745 78.960 > 94 125 Se 0.50000000000000 0.66489195755402 0.92678874309745 78.960 > 94 126 Se 0.83333333333333 0.66489195755402 0.92678874309745 78.960 > 94 127 Se 0.16666666666667 0.66489195755402 0.57321125690255 78.960 > 97 128 Se 0.50000000000000 0.66489195755402 0.57321125690255 78.960 > 97 129 Se 0.83333333333333 0.66489195755402 0.57321125690255 78.960 > 97 130 Se 0.00000000000000 0.83510804244598 0.07321125690255 78.960 > 100 131 Se 0.33333333333333 0.83510804244598 0.07321125690255 78.960 > 100 132 Se 0.66666666666667 0.83510804244598 0.07321125690255 78.960 > 100 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 11.1290512 0.0000000 0.0000000 0.0000000 8.7876644 0.0000000 0.0000000 0.0000000 10.7861373 -------------------------- Born effective charges -------------------------- 1 K 1.1195143 0.0000000 0.0000000 0.0000000 1.5097282 0.0000000 0.0000000 0.0000000 1.6138427 2 K 1.1195143 0.0000000 0.0000000 0.0000000 1.5097282 0.0000000 0.0000000 0.0000000 1.6138427 3 Tm 4.5084080 0.0000000 0.0000000 0.0000000 2.8997892 0.9458157 0.0000000 0.0269209 4.1166736 4 Tm 4.5084080 0.0000000 0.0000000 0.0000000 2.8997892 -0.9458157 0.0000000 -0.0269209 4.1166736 5 Tm 4.5084080 0.0000000 0.0000000 0.0000000 2.8997892 0.9458157 0.0000000 0.0269209 4.1166736 6 Tm 4.5084080 0.0000000 0.0000000 0.0000000 2.8997892 -0.9458157 0.0000000 -0.0269209 4.1166736 7 Cu 0.9816425 0.0000000 0.0000000 0.0000000 1.3574413 -0.4376869 0.0000000 -0.2424680 1.0592195 8 Cu 0.9816425 0.0000000 0.0000000 0.0000000 1.3574413 0.4376869 0.0000000 0.2424680 1.0592195 9 Cu 0.9816425 0.0000000 0.0000000 0.0000000 1.3574413 -0.4376869 0.0000000 -0.2424680 1.0592195 10 Cu 0.9816425 0.0000000 0.0000000 0.0000000 1.3574413 0.4376869 0.0000000 0.2424680 1.0592195 11 Cu 0.7463865 0.0000000 0.0000000 0.0000000 0.5885745 0.0000000 0.0000000 0.0000000 1.2976334 12 Cu 0.7463865 0.0000000 0.0000000 0.0000000 0.5885745 0.0000000 0.0000000 0.0000000 1.2976334 13 Se -1.6620967 0.0000000 0.0000000 0.0000000 -1.8279629 0.0000000 0.0000000 0.0000000 -4.1180243 14 Se -1.6620967 0.0000000 0.0000000 0.0000000 -1.8279629 0.0000000 0.0000000 0.0000000 -4.1180243 15 Se -2.4116109 0.0000000 0.0000000 0.0000000 -2.2927633 0.0246278 0.0000000 0.4335345 -2.5264052 16 Se -2.4116109 0.0000000 0.0000000 0.0000000 -2.2927633 -0.0246278 0.0000000 -0.4335345 -2.5264052 17 Se -2.4116109 0.0000000 0.0000000 0.0000000 -2.2927633 0.0246278 0.0000000 0.4335345 -2.5264052 18 Se -2.4116109 0.0000000 0.0000000 0.0000000 -2.2927633 -0.0246278 0.0000000 -0.4335345 -2.5264052 19 Se -3.1803417 0.0000000 0.0000000 0.0000000 -2.0996373 -0.1398479 0.0000000 -0.4163141 -2.0462138 20 Se -3.1803417 0.0000000 0.0000000 0.0000000 -2.0996373 0.1398479 0.0000000 0.4163141 -2.0462138 21 Se -3.1803417 0.0000000 0.0000000 0.0000000 -2.0996373 -0.1398479 0.0000000 -0.4163141 -2.0462138 22 Se -3.1803417 0.0000000 0.0000000 0.0000000 -2.0996373 0.1398479 0.0000000 0.4163141 -2.0462138 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: 0.00000000 (yyy) 0.00000000 (yyy) 0.00000000 (yyy) Max drift of fc2: 0.00000000 (zz) 0.00000000 (zz) --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperature: 0.0 10.0 20.0 30.0 40.0 ... 1000.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 Length for sampling mesh generation: 50.00 Generating grid system ... [ 13 13 3 ] 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: 293, Lambda: 0.18 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/98) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 98 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| -0.000 ( 0.000 0.000 0.000) 0.000 -0.000 ( 0.000 0.000 0.000) 0.000 -0.000 ( 0.000 0.000 0.000) 0.000 0.913 ( 0.000 0.000 0.000) 0.000 0.959 ( 0.000 0.000 0.000) 0.000 1.430 ( 0.000 0.000 0.000) 0.000 1.450 ( 0.000 0.000 0.000) 0.000 1.621 ( 0.000 0.000 0.000) 0.000 1.750 ( 0.000 0.000 0.000) 0.000 1.816 ( 0.000 0.000 0.000) 0.000 1.827 ( 0.000 0.000 0.000) 0.000 1.951 ( 0.000 0.000 0.000) 0.000 1.998 ( 0.000 0.000 0.000) 0.000 2.094 ( 0.000 0.000 0.000) 0.000 2.267 ( 0.000 0.000 0.000) 0.000 2.267 ( 0.000 0.000 0.000) 0.000 2.409 ( 0.000 0.000 0.000) 0.000 2.426 ( 0.000 0.000 0.000) 0.000 2.444 ( 0.000 0.000 0.000) 0.000 2.529 ( 0.000 0.000 0.000) 0.000 2.658 ( 0.000 0.000 0.000) 0.000 2.673 ( 0.000 0.000 0.000) 0.000 2.693 ( 0.000 0.000 0.000) 0.000 2.725 ( 0.000 0.000 0.000) 0.000 2.740 ( 0.000 0.000 0.000) 0.000 2.854 ( 0.000 0.000 0.000) 0.000 2.934 ( 0.000 0.000 0.000) 0.000 3.096 ( 0.000 0.000 0.000) 0.000 3.226 ( 0.000 0.000 0.000) 0.000 3.331 ( 0.000 0.000 0.000) 0.000 3.403 ( 0.000 0.000 0.000) 0.000 3.513 ( 0.000 0.000 0.000) 0.000 3.586 ( 0.000 0.000 0.000) 0.000 3.629 ( 0.000 0.000 0.000) 0.000 3.751 ( 0.000 0.000 0.000) 0.000 3.920 ( 0.000 0.000 0.000) 0.000 3.952 ( 0.000 0.000 0.000) 0.000 3.961 ( 0.000 0.000 0.000) 0.000 4.000 ( 0.000 0.000 0.000) 0.000 4.039 ( 0.000 0.000 0.000) 0.000 4.523 ( 0.000 0.000 0.000) 0.000 4.563 ( 0.000 0.000 0.000) 0.000 4.601 ( 0.000 0.000 0.000) 0.000 4.639 ( 0.000 0.000 0.000) 0.000 4.835 ( 0.000 0.000 0.000) 0.000 4.873 ( 0.000 0.000 0.000) 0.000 5.088 ( 0.000 0.000 0.000) 0.000 5.191 ( 0.000 0.000 0.000) 0.000 5.241 ( 0.000 0.000 0.000) 0.000 5.260 ( 0.000 0.000 0.000) 0.000 5.292 ( 0.000 0.000 0.000) 0.000 5.307 ( 0.000 0.000 0.000) 0.000 5.375 ( 0.000 0.000 0.000) 0.000 5.391 ( 0.000 0.000 0.000) 0.000 5.561 ( 0.000 0.000 0.000) 0.000 5.585 ( 0.000 0.000 0.000) 0.000 5.750 ( 0.000 0.000 0.000) 0.000 5.760 ( 0.000 0.000 0.000) 0.000 5.779 ( 0.000 0.000 0.000) 0.000 5.781 ( 0.000 0.000 0.000) 0.000 5.808 ( 0.000 0.000 0.000) 0.000 5.894 ( 0.000 0.000 0.000) 0.000 6.121 ( 0.000 0.000 0.000) 0.000 6.155 ( 0.000 0.000 0.000) 0.000 6.174 ( 0.000 0.000 0.000) 0.000 6.540 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/98) ======================= q-point: ( 0.08 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 170 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.398 ( 19.119 -5.206 0.000) 19.815 0.404 ( 20.389 -2.799 0.000) 20.580 0.776 ( 36.866 -9.821 0.000) 38.152 1.017 ( 5.921 -1.171 0.000) 6.035 1.112 ( 16.994 -3.135 0.000) 17.281 1.372 ( -2.160 -0.775 0.000) 2.295 1.489 ( 4.786 2.248 0.000) 5.287 1.812 ( 13.902 -2.393 0.000) 14.106 1.831 ( 1.129 0.474 0.000) 1.224 1.834 ( 7.685 -0.227 0.000) 7.689 1.905 ( 7.337 0.673 0.000) 7.368 1.996 ( -0.143 0.351 0.000) 0.379 2.022 ( 7.257 0.797 0.000) 7.301 2.093 ( 0.085 0.011 0.000) 0.086 2.214 ( -3.433 0.218 0.000) 3.440 2.231 ( -2.789 -0.195 0.000) 2.796 2.435 ( 0.839 0.084 0.000) 0.844 2.437 ( 2.674 -0.359 0.000) 2.698 2.464 ( 1.254 -1.998 0.000) 2.359 2.589 ( 0.223 0.583 0.000) 0.624 2.671 ( 0.554 0.411 0.000) 0.690 2.728 ( 4.831 1.473 0.000) 5.051 2.730 ( 0.961 -0.838 0.000) 1.275 2.753 ( 2.046 -2.481 0.000) 3.216 2.792 ( 9.415 0.576 0.000) 9.432 2.899 ( 4.226 0.179 0.000) 4.230 2.948 ( 0.464 0.349 0.000) 0.581 3.114 ( 1.982 1.060 0.000) 2.247 3.248 ( 2.449 1.482 0.000) 2.863 3.320 ( 0.708 4.911 0.000) 4.962 3.431 ( 0.526 -6.206 0.000) 6.228 3.509 ( -0.302 -0.023 0.000) 0.303 3.585 ( -0.377 -1.032 0.000) 1.098 3.641 ( -0.795 -3.532 0.000) 3.621 3.718 ( -2.891 -0.029 0.000) 2.891 3.879 ( -3.915 0.793 0.000) 3.994 4.001 ( 3.794 -0.301 0.000) 3.806 4.024 ( 6.433 -0.309 0.000) 6.441 4.066 ( 2.573 -0.251 0.000) 2.585 4.512 ( 0.763 6.628 0.000) 6.672 4.569 ( 0.814 -1.180 0.000) 1.434 4.576 ( -1.731 1.787 0.000) 2.488 4.612 ( 3.876 9.175 0.000) 9.960 4.637 ( -0.396 -0.269 0.000) 0.479 4.833 ( -0.466 -0.654 0.000) 0.803 4.881 ( -6.911 -9.783 0.000) 11.978 5.106 ( 0.944 -1.568 0.000) 1.830 5.197 ( 0.669 -0.035 0.000) 0.670 5.241 ( -0.377 -0.922 0.000) 0.996 5.260 ( -0.059 -0.065 0.000) 0.088 5.299 ( 0.606 -0.254 0.000) 0.658 5.300 ( 0.087 2.033 0.000) 2.035 5.373 ( -1.053 -2.798 0.000) 2.989 5.389 ( -0.430 -0.582 0.000) 0.724 5.554 ( -1.457 -1.498 0.000) 2.090 5.561 ( -2.281 0.420 0.000) 2.320 5.666 ( -8.607 -0.146 0.000) 8.608 5.730 ( -1.978 0.160 0.000) 1.984 5.804 ( 1.814 1.150 0.000) 2.148 5.821 ( 1.294 -1.316 0.000) 1.845 5.955 ( 4.038 0.116 0.000) 4.039 6.113 ( 1.249 0.446 0.000) 1.326 6.132 ( 1.097 -0.255 0.000) 1.127 6.205 ( 2.568 0.096 0.000) 2.570 6.350 ( 1.270 5.523 0.000) 5.667 6.517 ( -1.871 1.182 0.000) 2.213 ======================= Grid point 2 (3/98) ======================= q-point: ( 0.15 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 170 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.782 ( 17.983 -4.681 0.000) 18.582 0.806 ( 20.379 -0.685 0.000) 20.390 1.183 ( 10.175 -1.651 0.000) 10.308 1.395 ( 3.521 -2.427 0.000) 4.277 1.488 ( 18.240 -1.500 0.000) 18.301 1.489 ( 31.687 -6.301 0.000) 32.308 1.604 ( 8.717 3.823 0.000) 9.518 1.858 ( 2.780 0.847 0.000) 2.906 1.986 ( 0.369 1.065 0.000) 1.127 2.014 ( 4.055 2.362 0.000) 4.693 2.020 ( 8.475 0.789 0.000) 8.512 2.075 ( 9.471 -0.183 0.000) 9.473 2.113 ( 2.690 -1.408 0.000) 3.037 2.192 ( 9.113 1.178 0.000) 9.189 2.193 ( -0.923 -0.648 0.000) 1.128 2.211 ( 5.287 -0.721 0.000) 5.336 2.448 ( 0.289 -0.338 0.000) 0.445 2.497 ( 2.068 -1.175 0.000) 2.379 2.537 ( 6.344 -2.543 0.000) 6.835 2.598 ( 1.718 -0.457 0.000) 1.778 2.695 ( 2.618 0.663 0.000) 2.701 2.774 ( 2.868 -0.298 0.000) 2.883 2.775 ( 3.645 -1.047 0.000) 3.793 2.873 ( 6.486 -1.042 0.000) 6.569 2.944 ( 0.300 0.998 0.000) 1.042 3.003 ( 11.196 0.552 0.000) 11.209 3.013 ( 7.110 -0.942 0.000) 7.172 3.152 ( 2.894 2.741 0.000) 3.985 3.286 ( 2.198 2.628 0.000) 3.426 3.315 ( 0.970 3.039 0.000) 3.190 3.474 ( 0.109 -6.242 0.000) 6.243 3.504 ( -0.129 0.173 0.000) 0.216 3.586 ( -0.117 -1.164 0.000) 1.170 3.640 ( -0.811 -1.058 0.000) 1.333 3.652 ( -3.930 -0.161 0.000) 3.933 3.773 ( -6.403 0.314 0.000) 6.411 4.091 ( 4.858 -0.918 0.000) 4.944 4.136 ( 4.366 -0.940 0.000) 4.466 4.162 ( 6.962 -0.562 0.000) 6.985 4.488 ( -0.439 2.558 0.000) 2.596 4.534 ( -1.576 0.897 0.000) 1.814 4.601 ( 2.897 3.408 0.000) 4.473 4.633 ( 0.260 0.224 0.000) 0.343 4.642 ( 1.704 -0.630 0.000) 1.816 4.793 ( -4.931 -1.487 0.000) 5.150 4.823 ( -1.221 -1.259 0.000) 1.754 5.126 ( 0.555 0.012 0.000) 0.555 5.219 ( 1.627 0.529 0.000) 1.710 5.239 ( -0.097 -0.802 0.000) 0.808 5.261 ( 0.296 0.168 0.000) 0.341 5.294 ( 0.406 1.997 0.000) 2.038 5.319 ( 1.497 0.217 0.000) 1.513 5.365 ( -1.246 -2.537 0.000) 2.827 5.382 ( -0.416 -0.281 0.000) 0.503 5.499 ( -6.661 -0.658 0.000) 6.693 5.504 ( -2.867 0.943 0.000) 3.018 5.541 ( -2.158 -0.799 0.000) 2.301 5.679 ( -2.912 0.296 0.000) 2.927 5.816 ( 0.498 1.402 0.000) 1.488 5.861 ( 1.145 -1.655 0.000) 2.012 6.031 ( 3.947 0.210 0.000) 3.952 6.139 ( 1.354 -0.017 0.000) 1.354 6.167 ( 2.347 -0.243 0.000) 2.360 6.246 ( 1.495 0.409 0.000) 1.550 6.340 ( 0.196 3.220 0.000) 3.226 6.469 ( -1.961 1.641 0.000) 2.557 ======================= Grid point 3 (4/98) ======================= q-point: ( 0.23 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 170 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.128 ( 15.596 -3.804 0.000) 16.053 1.178 ( 18.447 1.593 0.000) 18.515 1.405 ( 12.030 -0.267 0.000) 12.033 1.517 ( 7.031 -3.436 0.000) 7.826 1.738 ( 7.664 1.816 0.000) 7.876 1.759 ( 9.383 4.348 0.000) 10.342 1.931 ( 4.385 1.547 0.000) 4.649 1.946 ( 10.750 4.315 0.000) 11.583 1.975 ( -0.501 0.980 0.000) 1.101 2.067 ( 5.410 -0.209 0.000) 5.414 2.089 ( 1.604 3.000 0.000) 3.402 2.168 ( 2.272 4.687 0.000) 5.209 2.214 ( 2.517 -0.534 0.000) 2.573 2.257 ( 7.880 -4.115 0.000) 8.890 2.309 ( 4.664 2.050 0.000) 5.095 2.398 ( 10.339 -3.227 0.000) 10.831 2.447 ( -0.792 -1.508 0.000) 1.704 2.533 ( 0.651 -1.596 0.000) 1.723 2.669 ( 8.853 -1.797 0.000) 9.034 2.725 ( 8.125 -1.274 0.000) 8.225 2.773 ( 6.075 1.367 0.000) 6.227 2.866 ( 6.524 -0.996 0.000) 6.600 2.875 ( 5.407 -0.771 0.000) 5.462 2.944 ( 0.081 -0.852 0.000) 0.856 2.975 ( 3.265 -0.649 0.000) 3.329 3.150 ( 5.977 1.645 0.000) 6.199 3.206 ( 5.309 -0.764 0.000) 5.363 3.228 ( 11.330 -1.148 0.000) 11.388 3.290 ( -0.750 1.615 0.000) 1.781 3.317 ( 1.152 1.756 0.000) 2.100 3.499 ( -0.249 -3.841 0.000) 3.849 3.504 ( 0.583 1.115 0.000) 1.259 3.575 ( -2.584 0.603 0.000) 2.653 3.597 ( -0.050 -0.433 0.000) 0.436 3.612 ( -3.503 -1.355 0.000) 3.756 3.658 ( -4.499 -1.428 0.000) 4.720 4.190 ( 4.602 -2.216 0.000) 5.108 4.241 ( 5.639 -1.712 0.000) 5.893 4.275 ( 4.186 -0.826 0.000) 4.266 4.469 ( -0.635 0.707 0.000) 0.950 4.514 ( -0.166 0.141 0.000) 0.218 4.640 ( 2.871 2.477 0.000) 3.792 4.654 ( 2.052 0.023 0.000) 2.053 4.662 ( -0.490 0.650 0.000) 0.814 4.740 ( -0.563 -1.272 0.000) 1.391 4.800 ( -1.903 -1.672 0.000) 2.534 5.128 ( 0.087 1.091 0.000) 1.094 5.217 ( -1.582 1.114 0.000) 1.935 5.270 ( 1.036 1.110 0.000) 1.519 5.271 ( 2.697 -0.064 0.000) 2.698 5.290 ( 0.328 1.930 0.000) 1.958 5.338 ( 0.004 1.260 0.000) 1.260 5.353 ( -0.692 -0.541 0.000) 0.879 5.395 ( 2.684 0.084 0.000) 2.686 5.402 ( -3.064 -0.216 0.000) 3.072 5.463 ( -0.384 0.808 0.000) 0.894 5.519 ( -0.737 -0.311 0.000) 0.800 5.626 ( -2.344 0.092 0.000) 2.346 5.811 ( -0.176 1.375 0.000) 1.386 5.872 ( -0.704 -1.247 0.000) 1.432 6.098 ( 2.972 0.477 0.000) 3.010 6.157 ( 0.250 -0.442 0.000) 0.508 6.220 ( 2.795 -0.384 0.000) 2.822 6.252 ( -0.605 0.675 0.000) 0.907 6.322 ( -0.350 2.470 0.000) 2.494 6.429 ( -1.320 1.606 0.000) 2.079 ======================= Grid point 4 (5/98) ======================= q-point: ( 0.31 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 170 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.411 ( 12.052 -2.344 0.000) 12.278 1.477 ( 13.761 2.906 0.000) 14.064 1.626 ( 10.878 1.377 0.000) 10.965 1.684 ( 8.149 -2.982 0.000) 8.678 1.821 ( 3.432 2.722 0.000) 4.380 1.876 ( 4.344 5.853 0.000) 7.289 1.948 ( -1.209 2.096 0.000) 2.420 1.969 ( 0.535 1.736 0.000) 1.816 2.011 ( 2.152 0.776 0.000) 2.287 2.091 ( 0.286 1.906 0.000) 1.927 2.126 ( 1.865 6.871 0.000) 7.120 2.163 ( 1.545 5.297 0.000) 5.517 2.250 ( 0.564 0.479 0.000) 0.740 2.350 ( 0.895 1.024 0.000) 1.360 2.403 ( 4.747 -3.811 0.000) 6.088 2.447 ( -0.191 -2.532 0.000) 2.539 2.528 ( 1.846 -0.262 0.000) 1.865 2.536 ( -0.222 0.137 0.000) 0.261 2.821 ( 2.180 1.495 0.000) 2.643 2.874 ( 3.910 3.234 0.000) 5.074 2.910 ( 3.505 -0.725 0.000) 3.579 2.963 ( 4.410 -1.437 0.000) 4.639 2.990 ( 8.493 -1.940 0.000) 8.712 3.000 ( -0.178 -1.198 0.000) 1.211 3.020 ( 7.123 -2.405 0.000) 7.519 3.177 ( -0.673 -2.022 0.000) 2.131 3.245 ( -2.978 -0.505 0.000) 3.020 3.293 ( 3.436 0.701 0.000) 3.506 3.415 ( 5.124 -1.771 0.000) 5.421 3.455 ( 10.184 -1.198 0.000) 10.254 3.504 ( -1.973 -3.122 0.000) 3.693 3.518 ( 1.935 2.027 0.000) 2.802 3.551 ( 1.846 2.618 0.000) 3.203 3.577 ( 4.652 -1.781 0.000) 4.982 3.617 ( 1.868 0.223 0.000) 1.881 3.641 ( 1.069 -3.567 0.000) 3.724 4.283 ( 3.235 -2.324 0.000) 3.984 4.338 ( 2.044 -2.405 0.000) 3.156 4.355 ( 4.895 -1.841 0.000) 5.230 4.457 ( -0.374 0.159 0.000) 0.406 4.526 ( 1.540 0.211 0.000) 1.554 4.632 ( -1.185 1.331 0.000) 1.782 4.682 ( 2.091 0.704 0.000) 2.207 4.702 ( 2.584 -0.367 0.000) 2.609 4.758 ( 0.812 -0.429 0.000) 0.918 4.771 ( -2.017 -1.684 0.000) 2.627 5.127 ( 0.847 1.625 0.000) 1.832 5.164 ( -2.387 1.925 0.000) 3.066 5.276 ( -0.346 2.833 0.000) 2.854 5.288 ( 0.414 2.660 0.000) 2.692 5.302 ( -0.453 0.560 0.000) 0.720 5.319 ( 0.767 1.142 0.000) 1.376 5.376 ( 3.631 0.251 0.000) 3.640 5.385 ( 1.263 0.858 0.000) 1.527 5.478 ( 5.310 0.083 0.000) 5.311 5.480 ( 2.069 0.172 0.000) 2.076 5.519 ( 0.991 -0.035 0.000) 0.991 5.594 ( -0.934 -0.388 0.000) 1.011 5.798 ( -0.359 1.199 0.000) 1.251 5.855 ( -1.358 -0.705 0.000) 1.530 6.120 ( -0.992 0.757 0.000) 1.248 6.155 ( -0.496 -0.552 0.000) 0.742 6.216 ( -2.601 0.876 0.000) 2.744 6.267 ( 1.653 -0.504 0.000) 1.728 6.303 ( -0.390 1.689 0.000) 1.734 6.398 ( -1.113 1.442 0.000) 1.822 ======================= Grid point 5 (6/98) ======================= q-point: ( 0.38 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 170 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.610 ( 7.915 -0.604 0.000) 7.938 1.663 ( 7.261 2.554 0.000) 7.697 1.780 ( 4.976 2.731 0.000) 5.676 1.830 ( 3.325 0.249 0.000) 3.334 1.851 ( 1.659 1.944 0.000) 2.556 1.855 ( 0.474 5.549 0.000) 5.570 1.903 ( -1.485 2.160 0.000) 2.621 1.972 ( 1.029 0.818 0.000) 1.314 2.017 ( -0.910 1.507 0.000) 1.760 2.084 ( -0.269 0.775 0.000) 0.820 2.156 ( 3.095 1.316 0.000) 3.364 2.187 ( 4.367 3.930 0.000) 5.875 2.243 ( -0.552 0.156 0.000) 0.573 2.347 ( -0.325 0.859 0.000) 0.919 2.465 ( 0.625 -2.218 0.000) 2.305 2.481 ( 1.666 -2.756 0.000) 3.220 2.516 ( -0.692 1.743 0.000) 1.876 2.534 ( -0.577 0.872 0.000) 1.046 2.824 ( -0.787 1.219 0.000) 1.451 2.860 ( -2.481 2.524 0.000) 3.539 2.870 ( -3.992 0.358 0.000) 4.008 2.969 ( -3.086 -0.232 0.000) 3.095 2.982 ( -1.572 0.100 0.000) 1.575 3.084 ( 0.654 -0.755 0.000) 0.999 3.145 ( 3.669 -2.156 0.000) 4.256 3.212 ( -0.881 -1.432 0.000) 1.681 3.277 ( 5.166 -1.487 0.000) 5.376 3.357 ( 4.281 -0.855 0.000) 4.366 3.433 ( -1.811 -1.675 0.000) 2.467 3.505 ( 0.082 -4.030 0.000) 4.031 3.562 ( 3.546 1.784 0.000) 3.970 3.576 ( 2.306 -0.747 0.000) 2.424 3.611 ( 5.119 2.781 0.000) 5.826 3.659 ( 2.607 1.038 0.000) 2.806 3.758 ( 10.700 -2.207 0.000) 10.926 3.796 ( 10.160 -2.421 0.000) 10.444 4.316 ( -0.216 -0.483 0.000) 0.530 4.395 ( 1.597 -4.056 0.000) 4.359 4.426 ( 0.876 -0.222 0.000) 0.903 4.461 ( 1.246 -1.388 0.000) 1.865 4.572 ( 3.326 0.109 0.000) 3.327 4.612 ( -0.187 0.899 0.000) 0.918 4.707 ( 0.457 -0.176 0.000) 0.489 4.734 ( -1.251 -1.233 0.000) 1.757 4.762 ( 2.040 -0.667 0.000) 2.146 4.767 ( 0.455 0.373 0.000) 0.588 5.121 ( -1.017 1.655 0.000) 1.943 5.137 ( 0.355 1.941 0.000) 1.973 5.244 ( -1.134 2.952 0.000) 3.163 5.253 ( 0.111 3.163 0.000) 3.165 5.274 ( -1.594 1.229 0.000) 2.012 5.358 ( 1.336 0.910 0.000) 1.617 5.433 ( 3.867 0.018 0.000) 3.867 5.455 ( 4.059 0.010 0.000) 4.059 5.525 ( 2.322 -0.145 0.000) 2.326 5.536 ( 1.777 0.920 0.000) 2.001 5.579 ( 2.806 -0.943 0.000) 2.961 5.630 ( 5.886 -0.340 0.000) 5.896 5.786 ( -0.284 0.841 0.000) 0.888 5.834 ( -1.046 -0.318 0.000) 1.093 6.057 ( -4.696 0.431 0.000) 4.716 6.118 ( -4.371 -0.009 0.000) 4.371 6.166 ( -1.269 1.048 0.000) 1.645 6.284 ( -0.074 -0.297 0.000) 0.306 6.290 ( -0.346 0.748 0.000) 0.824 6.372 ( -0.895 0.998 0.000) 1.341 ======================= Grid point 6 (7/98) ======================= q-point: ( 0.46 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 170 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.717 ( 2.845 0.180 0.000) 2.851 1.718 ( 0.307 2.575 0.000) 2.594 1.788 ( 0.459 1.334 0.000) 1.411 1.819 ( 2.023 0.070 0.000) 2.024 1.833 ( -2.200 1.133 0.000) 2.474 1.871 ( -1.566 1.485 0.000) 2.158 1.938 ( 3.695 0.294 0.000) 3.707 1.983 ( -0.475 0.235 0.000) 0.529 2.007 ( 0.786 1.244 0.000) 1.472 2.073 ( -0.416 0.135 0.000) 0.437 2.198 ( 1.383 -0.529 0.000) 1.481 2.237 ( 0.026 0.161 0.000) 0.163 2.263 ( 3.520 0.419 0.000) 3.545 2.331 ( -0.923 0.725 0.000) 1.174 2.487 ( 0.575 -1.093 0.000) 1.235 2.498 ( -0.347 0.599 0.000) 0.692 2.506 ( 0.028 -1.086 0.000) 1.087 2.519 ( -0.268 0.876 0.000) 0.916 2.788 ( -1.254 1.144 0.000) 1.697 2.798 ( -2.679 -0.081 0.000) 2.680 2.803 ( -1.555 1.069 0.000) 1.887 2.915 ( -1.899 -0.103 0.000) 1.902 2.959 ( -0.418 -0.162 0.000) 0.448 3.095 ( 0.064 -0.476 0.000) 0.480 3.192 ( 0.964 -0.665 0.000) 1.171 3.209 ( -0.374 -0.548 0.000) 0.663 3.332 ( 1.908 0.293 0.000) 1.930 3.398 ( -2.233 -1.271 0.000) 2.569 3.452 ( 3.649 -0.841 0.000) 3.744 3.505 ( -1.540 -0.806 0.000) 1.738 3.611 ( 1.649 0.419 0.000) 1.702 3.617 ( 1.303 -0.668 0.000) 1.464 3.681 ( 2.499 0.933 0.000) 2.667 3.695 ( 1.405 0.978 0.000) 1.712 3.924 ( 4.487 -0.488 0.000) 4.514 3.958 ( 4.788 -1.234 0.000) 4.944 4.305 ( -0.608 -0.115 0.000) 0.618 4.417 ( -0.719 0.198 0.000) 0.746 4.428 ( 0.260 -1.682 0.000) 1.702 4.493 ( 0.719 -0.733 0.000) 1.027 4.613 ( 0.388 0.117 0.000) 0.405 4.642 ( 3.713 0.167 0.000) 3.716 4.701 ( -2.632 -0.806 0.000) 2.752 4.703 ( -0.462 0.182 0.000) 0.496 4.781 ( 0.742 -0.277 0.000) 0.792 4.809 ( 1.635 -0.420 0.000) 1.688 5.103 ( -0.262 0.812 0.000) 0.853 5.107 ( -1.288 1.565 0.000) 2.027 5.217 ( 0.060 1.275 0.000) 1.276 5.235 ( -1.657 0.577 0.000) 1.754 5.285 ( 3.404 0.931 0.000) 3.529 5.345 ( -1.990 0.355 0.000) 2.021 5.491 ( 1.517 -0.088 0.000) 1.520 5.515 ( 1.773 -0.041 0.000) 1.774 5.546 ( 0.056 0.151 0.000) 0.161 5.560 ( 0.992 -0.100 0.000) 0.997 5.681 ( 6.377 -0.505 0.000) 6.396 5.737 ( 2.778 -0.035 0.000) 2.778 5.778 ( -0.127 0.329 0.000) 0.353 5.821 ( -0.382 -0.087 0.000) 0.392 5.966 ( -2.903 0.345 0.000) 2.923 6.017 ( -5.133 0.096 0.000) 5.134 6.145 ( -0.527 0.436 0.000) 0.684 6.277 ( -0.423 -0.032 0.000) 0.424 6.281 ( -0.216 0.185 0.000) 0.285 6.356 ( -0.359 0.314 0.000) 0.477 ======================= Grid point 14 (8/98) ======================= q-point: ( 0.08 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 98 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.755 ( 18.824 -0.000 0.000) 18.824 0.804 ( 21.258 -0.000 0.000) 21.258 1.174 ( 10.661 -0.000 0.000) 10.661 1.382 ( 3.398 -0.000 0.000) 3.398 1.450 ( 33.999 -0.000 0.000) 33.999 1.479 ( 19.280 -0.000 0.000) 19.280 1.627 ( 8.883 -0.000 0.000) 8.883 1.862 ( 2.744 -0.000 0.000) 2.744 1.992 ( -0.013 0.000 0.000) 0.013 2.026 ( 10.394 -0.000 0.000) 10.394 2.031 ( 2.879 -0.000 0.000) 2.879 2.068 ( 11.173 -0.000 0.000) 11.173 2.104 ( 1.216 -0.000 0.000) 1.216 2.190 ( -1.080 0.000 0.000) 1.080 2.197 ( 9.569 -0.000 0.000) 9.569 2.210 ( 5.204 -0.000 0.000) 5.204 2.447 ( 0.131 -0.000 0.000) 0.131 2.489 ( 1.662 -0.000 0.000) 1.662 2.523 ( 7.071 -0.000 0.000) 7.071 2.596 ( 0.877 -0.000 0.000) 0.877 2.698 ( 2.547 -0.000 0.000) 2.547 2.769 ( 3.864 -0.000 0.000) 3.864 2.773 ( 2.802 -0.000 0.000) 2.802 2.867 ( 6.794 -0.000 0.000) 6.794 2.950 ( -0.094 0.000 0.000) 0.094 3.006 ( 11.355 -0.000 0.000) 11.355 3.007 ( 6.781 -0.000 0.000) 6.781 3.169 ( 3.075 -0.000 0.000) 3.075 3.301 ( 1.912 -0.000 0.000) 1.912 3.338 ( -0.328 0.000 0.000) 0.328 3.429 ( 1.284 -0.000 0.000) 1.284 3.506 ( 0.083 -0.000 0.000) 0.083 3.579 ( 0.080 -0.000 0.000) 0.080 3.635 ( -0.264 0.000 0.000) 0.264 3.652 ( -3.870 0.000 0.000) 3.870 3.775 ( -6.790 0.000 0.000) 6.790 4.086 ( 4.704 -0.000 0.000) 4.704 4.131 ( 4.225 -0.000 0.000) 4.225 4.159 ( 6.996 -0.000 0.000) 6.996 4.503 ( -1.935 0.000 0.000) 1.935 4.539 ( -2.095 0.000 0.000) 2.095 4.608 ( 3.588 -0.000 0.000) 3.588 4.633 ( 0.290 -0.000 0.000) 0.290 4.654 ( 0.313 -0.000 0.000) 0.313 4.781 ( -3.708 0.000 0.000) 3.708 4.816 ( -1.199 0.000 0.000) 1.199 5.126 ( 1.011 -0.000 0.000) 1.011 5.221 ( 1.863 -0.000 0.000) 1.863 5.236 ( -0.057 0.000 0.000) 0.057 5.262 ( 0.462 -0.000 0.000) 0.462 5.311 ( 0.382 -0.000 0.000) 0.382 5.320 ( 1.668 -0.000 0.000) 1.668 5.346 ( -0.719 0.000 0.000) 0.719 5.381 ( -0.154 0.000 0.000) 0.154 5.495 ( -6.478 0.000 0.000) 6.478 5.509 ( -2.892 0.000 0.000) 2.892 5.536 ( -2.063 0.000 0.000) 2.063 5.681 ( -2.938 0.000 0.000) 2.938 5.826 ( 0.293 -0.000 0.000) 0.293 5.849 ( 1.429 -0.000 0.000) 1.429 6.032 ( 3.950 -0.000 0.000) 3.950 6.139 ( 1.244 -0.000 0.000) 1.244 6.165 ( 2.376 -0.000 0.000) 2.376 6.248 ( 1.534 -0.000 0.000) 1.534 6.358 ( -0.556 0.000 0.000) 0.556 6.478 ( -2.145 0.000 0.000) 2.145 ======================= Grid point 15 (9/98) ======================= q-point: ( 0.15 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 170 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.100 ( 16.500 -1.336 0.000) 16.554 1.193 ( 19.061 0.826 0.000) 19.079 1.404 ( 12.782 -0.002 0.000) 12.782 1.491 ( 7.335 -1.181 0.000) 7.429 1.751 ( 8.363 0.586 0.000) 8.383 1.792 ( 9.306 1.573 0.000) 9.438 1.941 ( 4.660 0.441 0.000) 4.681 1.981 ( 11.845 1.789 0.000) 11.979 1.982 ( -0.653 0.340 0.000) 0.737 2.062 ( 7.932 -0.319 0.000) 7.938 2.122 ( 0.967 2.387 0.000) 2.576 2.204 ( 3.602 1.711 0.000) 3.987 2.206 ( 4.961 -1.198 0.000) 5.104 2.220 ( 6.403 -1.721 0.000) 6.630 2.323 ( 3.373 0.309 0.000) 3.387 2.375 ( 10.030 -0.744 0.000) 10.058 2.436 ( -1.184 -0.488 0.000) 1.281 2.519 ( 1.301 -0.807 0.000) 1.531 2.657 ( 7.318 -0.420 0.000) 7.330 2.711 ( 10.179 -0.868 0.000) 10.215 2.782 ( 6.497 0.360 0.000) 6.507 2.860 ( 6.096 -0.238 0.000) 6.100 2.869 ( 5.801 -0.327 0.000) 5.810 2.938 ( -0.954 -0.191 0.000) 0.973 2.970 ( 3.375 -0.242 0.000) 3.384 3.159 ( 8.705 0.226 0.000) 8.707 3.207 ( 0.648 0.400 0.000) 0.762 3.219 ( 10.880 -0.455 0.000) 10.890 3.302 ( -1.753 0.543 0.000) 1.835 3.335 ( 1.185 1.126 0.000) 1.635 3.464 ( 1.510 -2.023 0.000) 2.525 3.512 ( 0.734 0.397 0.000) 0.834 3.583 ( -1.660 0.732 0.000) 1.814 3.591 ( 0.141 -0.652 0.000) 0.667 3.602 ( -3.531 -0.478 0.000) 3.563 3.646 ( -5.750 -0.569 0.000) 5.778 4.173 ( 4.260 -0.808 0.000) 4.336 4.228 ( 5.618 -0.633 0.000) 5.654 4.269 ( 4.137 -0.240 0.000) 4.144 4.473 ( -1.097 0.135 0.000) 1.106 4.515 ( -0.240 0.033 0.000) 0.242 4.653 ( 1.823 -0.057 0.000) 1.824 4.662 ( 1.761 1.239 0.000) 2.153 4.666 ( 0.597 0.153 0.000) 0.616 4.729 ( -0.785 -0.663 0.000) 1.027 4.788 ( -1.797 -0.572 0.000) 1.886 5.137 ( 0.299 0.433 0.000) 0.526 5.226 ( -1.197 0.480 0.000) 1.290 5.268 ( 2.825 -0.212 0.000) 2.833 5.278 ( 1.206 0.357 0.000) 1.257 5.311 ( 0.099 1.429 0.000) 1.432 5.344 ( 0.187 -0.851 0.000) 0.871 5.348 ( 0.468 0.551 0.000) 0.723 5.396 ( 2.559 0.090 0.000) 2.561 5.399 ( -2.574 -0.168 0.000) 2.580 5.470 ( -0.658 0.317 0.000) 0.730 5.517 ( -0.535 -0.154 0.000) 0.556 5.627 ( -2.511 0.057 0.000) 2.511 5.824 ( -0.266 0.815 0.000) 0.857 5.860 ( -0.430 -0.764 0.000) 0.877 6.101 ( 3.123 0.163 0.000) 3.128 6.154 ( 0.072 -0.172 0.000) 0.186 6.217 ( 2.758 -0.135 0.000) 2.762 6.257 ( -0.582 0.256 0.000) 0.635 6.341 ( -0.875 0.921 0.000) 1.271 6.441 ( -1.544 0.580 0.000) 1.649 ======================= Grid point 16 (10/98) ======================= q-point: ( 0.23 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 170 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.391 ( 13.051 -1.235 0.000) 13.109 1.501 ( 13.369 1.468 0.000) 13.449 1.639 ( 11.393 0.862 0.000) 11.425 1.661 ( 9.284 -1.296 0.000) 9.374 1.844 ( 3.317 1.543 0.000) 3.658 1.925 ( 4.760 3.063 0.000) 5.661 1.962 ( -1.310 0.606 0.000) 1.444 1.986 ( 0.509 1.119 0.000) 1.229 2.016 ( 1.053 0.246 0.000) 1.082 2.112 ( -0.552 1.569 0.000) 1.664 2.194 ( 0.370 5.092 0.000) 5.105 2.214 ( 2.207 3.887 0.000) 4.470 2.261 ( 0.849 1.475 0.000) 1.702 2.354 ( 0.440 -0.411 0.000) 0.603 2.362 ( 5.260 -3.588 0.000) 6.368 2.425 ( -0.011 -1.307 0.000) 1.307 2.519 ( 3.340 -0.706 0.000) 3.414 2.540 ( 0.486 0.191 0.000) 0.522 2.839 ( 2.790 1.661 0.000) 3.247 2.898 ( 4.415 -1.464 0.000) 4.652 2.906 ( 4.374 2.519 0.000) 5.047 2.948 ( 9.405 -1.151 0.000) 9.475 2.973 ( 5.663 -1.001 0.000) 5.751 2.983 ( 3.200 -1.835 0.000) 3.689 3.002 ( 3.351 -0.885 0.000) 3.466 3.158 ( -3.798 -1.419 0.000) 4.054 3.241 ( -3.780 -0.292 0.000) 3.792 3.302 ( 4.499 0.771 0.000) 4.564 3.402 ( 4.511 -0.453 0.000) 4.533 3.429 ( 5.869 -2.810 0.000) 6.508 3.498 ( 2.362 0.757 0.000) 2.480 3.532 ( 1.786 0.613 0.000) 1.888 3.559 ( 4.133 -1.187 0.000) 4.300 3.574 ( 2.142 1.517 0.000) 2.625 3.604 ( 1.044 -2.861 0.000) 3.045 3.622 ( 2.578 0.524 0.000) 2.631 4.259 ( 3.831 -1.783 0.000) 4.225 4.321 ( 1.260 -0.860 0.000) 1.525 4.339 ( 5.102 -1.097 0.000) 5.218 4.457 ( -0.708 -0.089 0.000) 0.714 4.528 ( 1.665 0.216 0.000) 1.679 4.645 ( -1.209 1.003 0.000) 1.571 4.688 ( 1.375 0.334 0.000) 1.415 4.697 ( 2.456 -0.341 0.000) 2.480 4.754 ( 1.513 -0.223 0.000) 1.529 4.757 ( -1.752 -0.869 0.000) 1.956 5.142 ( 0.868 0.989 0.000) 1.316 5.183 ( -2.356 1.326 0.000) 2.703 5.300 ( -0.397 1.315 0.000) 1.373 5.305 ( 0.017 0.216 0.000) 0.217 5.307 ( 2.094 0.933 0.000) 2.293 5.330 ( -1.048 0.979 0.000) 1.434 5.378 ( 3.509 0.035 0.000) 3.509 5.394 ( 1.619 0.675 0.000) 1.754 5.479 ( 5.543 0.131 0.000) 5.545 5.483 ( 1.852 0.209 0.000) 1.863 5.518 ( 0.836 -0.161 0.000) 0.851 5.591 ( -1.167 -0.230 0.000) 1.189 5.811 ( -0.478 1.075 0.000) 1.176 5.847 ( -1.176 -0.776 0.000) 1.409 6.128 ( -1.473 0.666 0.000) 1.616 6.148 ( 0.047 -0.626 0.000) 0.627 6.224 ( -2.529 0.535 0.000) 2.584 6.263 ( 1.714 -0.267 0.000) 1.735 6.318 ( -0.927 1.000 0.000) 1.364 6.411 ( -1.346 0.801 0.000) 1.566 ======================= Grid point 17 (11/98) ======================= q-point: ( 0.31 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 170 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.604 ( 8.662 -0.381 0.000) 8.670 1.682 ( 6.535 0.967 0.000) 6.606 1.805 ( 5.706 1.839 0.000) 5.995 1.828 ( 6.217 -0.094 0.000) 6.218 1.870 ( 0.384 1.498 0.000) 1.547 1.917 ( -2.223 4.644 0.000) 5.148 1.922 ( -1.975 1.345 0.000) 2.390 1.980 ( 0.323 0.563 0.000) 0.650 2.034 ( 0.223 1.780 0.000) 1.794 2.091 ( -0.883 0.544 0.000) 1.037 2.166 ( 0.366 0.564 0.000) 0.673 2.232 ( 2.287 4.034 0.000) 4.637 2.249 ( -0.467 0.895 0.000) 1.010 2.355 ( -0.186 0.412 0.000) 0.452 2.444 ( 1.223 -1.591 0.000) 2.007 2.452 ( 2.289 -2.393 0.000) 3.311 2.528 ( -1.337 0.595 0.000) 1.463 2.542 ( -0.223 0.484 0.000) 0.533 2.838 ( -1.274 1.224 0.000) 1.767 2.873 ( -3.057 0.126 0.000) 3.059 2.879 ( -3.680 1.061 0.000) 3.830 2.973 ( -2.500 0.828 0.000) 2.634 2.988 ( -1.860 1.077 0.000) 2.149 3.068 ( -0.096 -2.120 0.000) 2.123 3.123 ( 4.514 -1.837 0.000) 4.874 3.199 ( -0.725 -1.041 0.000) 1.269 3.266 ( 8.430 -0.485 0.000) 8.444 3.339 ( 1.506 -2.410 0.000) 2.842 3.422 ( -0.553 -0.218 0.000) 0.595 3.468 ( 1.730 -2.638 0.000) 3.155 3.572 ( 2.112 -0.154 0.000) 2.118 3.575 ( 2.822 0.669 0.000) 2.900 3.634 ( 4.269 1.563 0.000) 4.546 3.675 ( 3.201 1.689 0.000) 3.619 3.738 ( 11.306 -1.403 0.000) 11.393 3.770 ( 10.692 -2.137 0.000) 10.904 4.311 ( 0.152 -0.285 0.000) 0.323 4.356 ( 2.131 -3.113 0.000) 3.773 4.421 ( 2.166 -0.537 0.000) 2.232 4.447 ( 0.103 -1.082 0.000) 1.087 4.575 ( 3.364 0.393 0.000) 3.387 4.625 ( -0.198 1.333 0.000) 1.347 4.706 ( 0.521 -0.021 0.000) 0.522 4.725 ( -1.178 -0.438 0.000) 1.257 4.754 ( 2.219 -0.897 0.000) 2.393 4.769 ( 0.160 0.096 0.000) 0.186 5.138 ( -1.403 1.344 0.000) 1.943 5.155 ( 0.516 1.326 0.000) 1.423 5.270 ( -1.629 1.914 0.000) 2.514 5.283 ( -1.606 0.804 0.000) 1.796 5.283 ( -0.999 1.946 0.000) 2.188 5.364 ( 1.374 0.125 0.000) 1.380 5.437 ( 3.384 0.562 0.000) 3.430 5.455 ( 3.962 -0.046 0.000) 3.963 5.525 ( 2.295 0.007 0.000) 2.295 5.545 ( 1.362 0.706 0.000) 1.534 5.569 ( 2.976 -0.815 0.000) 3.086 5.626 ( 6.073 -0.358 0.000) 6.084 5.796 ( -0.453 0.953 0.000) 1.055 5.829 ( -0.955 -0.554 0.000) 1.104 6.061 ( -4.697 0.331 0.000) 4.708 6.118 ( -4.167 -0.073 0.000) 4.167 6.176 ( -1.511 0.739 0.000) 1.682 6.281 ( 0.103 -0.196 0.000) 0.221 6.297 ( -0.757 0.603 0.000) 0.968 6.381 ( -1.244 0.708 0.000) 1.432 ======================= Grid point 18 (12/98) ======================= q-point: ( 0.38 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 170 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.721 ( 3.248 0.394 0.000) 3.272 1.746 ( 0.116 2.163 0.000) 2.166 1.804 ( -1.436 1.455 0.000) 2.045 1.823 ( -1.302 1.077 0.000) 1.690 1.842 ( -3.176 0.448 0.000) 3.208 1.883 ( -1.823 0.580 0.000) 1.913 1.940 ( 3.138 0.127 0.000) 3.141 1.983 ( -0.821 -0.124 0.000) 0.831 2.024 ( -0.142 1.771 0.000) 1.776 2.074 ( -0.662 -0.065 0.000) 0.665 2.193 ( 1.839 -0.509 0.000) 1.908 2.243 ( 0.142 0.885 0.000) 0.896 2.268 ( 2.071 0.417 0.000) 2.113 2.340 ( -1.103 0.774 0.000) 1.348 2.478 ( 1.664 -0.687 0.000) 1.800 2.493 ( 1.137 -1.157 0.000) 1.622 2.494 ( -1.791 -0.828 0.000) 1.973 2.530 ( -0.536 0.820 0.000) 0.980 2.789 ( -2.553 -0.681 0.000) 2.643 2.806 ( -2.877 1.228 0.000) 3.128 2.808 ( -2.860 -0.074 0.000) 2.861 2.919 ( -1.586 0.839 0.000) 1.794 2.960 ( -0.264 0.258 0.000) 0.369 3.080 ( 0.045 -2.180 0.000) 2.180 3.184 ( 1.592 -0.745 0.000) 1.758 3.203 ( 0.233 -0.560 0.000) 0.607 3.336 ( 2.325 0.501 0.000) 2.379 3.384 ( -1.223 -1.181 0.000) 1.700 3.453 ( 4.836 0.808 0.000) 4.903 3.505 ( 0.359 0.702 0.000) 0.788 3.609 ( 1.596 -0.841 0.000) 1.804 3.616 ( 1.271 0.352 0.000) 1.319 3.689 ( 1.563 0.735 0.000) 1.727 3.707 ( 0.431 1.042 0.000) 1.128 3.916 ( 4.911 -0.887 0.000) 4.990 3.943 ( 5.690 -1.553 0.000) 5.898 4.301 ( -0.689 -0.495 0.000) 0.849 4.412 ( 2.131 -1.307 0.000) 2.500 4.416 ( -1.043 -0.310 0.000) 1.088 4.484 ( 1.454 -0.873 0.000) 1.696 4.623 ( 0.635 1.420 0.000) 1.555 4.646 ( 4.003 0.494 0.000) 4.033 4.695 ( -2.103 -0.178 0.000) 2.110 4.706 ( -0.346 0.412 0.000) 0.538 4.773 ( 0.292 -0.972 0.000) 1.015 4.802 ( 1.790 -0.813 0.000) 1.966 5.112 ( -0.926 0.741 0.000) 1.185 5.123 ( -2.450 1.310 0.000) 2.779 5.230 ( -1.215 0.979 0.000) 1.561 5.240 ( -2.315 0.272 0.000) 2.331 5.295 ( 2.449 0.843 0.000) 2.590 5.347 ( -2.523 0.047 0.000) 2.523 5.492 ( 1.701 0.238 0.000) 1.718 5.513 ( 1.743 -0.157 0.000) 1.750 5.546 ( -0.271 -0.172 0.000) 0.321 5.559 ( 1.115 0.023 0.000) 1.115 5.676 ( 6.484 -0.400 0.000) 6.496 5.736 ( 3.096 -0.065 0.000) 3.097 5.784 ( -0.367 0.596 0.000) 0.700 5.819 ( -0.355 -0.347 0.000) 0.496 5.971 ( -3.024 0.416 0.000) 3.053 6.017 ( -5.294 -0.027 0.000) 5.294 6.150 ( -0.955 0.380 0.000) 1.028 6.276 ( -0.364 -0.033 0.000) 0.365 6.283 ( -0.429 0.196 0.000) 0.472 6.359 ( -0.699 0.293 0.000) 0.758 ======================= Grid point 19 (13/98) ======================= q-point: (-0.54 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 170 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.697 ( -2.775 -1.116 0.000) 2.991 1.718 ( -2.810 0.292 0.000) 2.825 1.775 ( -2.200 -1.055 0.000) 2.440 1.813 ( -4.016 -1.240 0.000) 4.204 1.817 ( 1.076 -1.750 0.000) 2.054 1.854 ( 1.638 -1.441 0.000) 2.182 1.934 ( -4.034 -0.335 0.000) 4.048 1.978 ( 0.240 -0.485 0.000) 0.541 1.999 ( -1.815 -0.259 0.000) 1.833 2.071 ( 0.172 -0.254 0.000) 0.307 2.205 ( -1.230 0.709 0.000) 1.420 2.239 ( 0.048 0.521 0.000) 0.523 2.258 ( -4.138 -0.504 0.000) 4.169 2.326 ( 0.560 -0.145 0.000) 0.578 2.480 ( -0.588 -2.132 0.000) 2.212 2.501 ( 0.655 1.334 0.000) 1.487 2.513 ( -0.748 -0.618 0.000) 0.970 2.516 ( 1.036 0.824 0.000) 1.324 2.773 ( 0.663 -1.399 0.000) 1.548 2.786 ( 0.174 -1.948 0.000) 1.956 2.797 ( 2.353 -0.341 0.000) 2.378 2.921 ( 2.181 0.874 0.000) 2.349 2.962 ( 0.643 0.327 0.000) 0.721 3.092 ( 0.114 -0.807 0.000) 0.815 3.198 ( -0.193 0.481 0.000) 0.518 3.214 ( 0.951 0.341 0.000) 1.010 3.328 ( -1.845 -0.333 0.000) 1.875 3.410 ( 2.321 0.919 0.000) 2.497 3.472 ( -2.394 2.632 0.000) 3.558 3.522 ( 3.284 2.231 0.000) 3.970 3.607 ( -2.384 -0.302 0.000) 2.403 3.624 ( -0.460 0.525 0.000) 0.698 3.668 ( -4.165 -1.359 0.000) 4.381 3.688 ( -1.515 -0.271 0.000) 1.539 3.925 ( -4.019 -0.286 0.000) 4.029 3.969 ( -3.581 0.639 0.000) 3.638 4.303 ( 0.603 -0.475 0.000) 0.768 4.411 ( 0.322 -0.856 0.000) 0.915 4.448 ( 1.634 1.840 0.000) 2.461 4.499 ( -0.104 0.316 0.000) 0.333 4.622 ( -0.029 1.757 0.000) 1.758 4.643 ( -3.288 0.371 0.000) 3.309 4.702 ( 0.490 0.135 0.000) 0.509 4.712 ( 3.181 1.147 0.000) 3.381 4.778 ( -0.783 -0.760 0.000) 1.092 4.811 ( -1.382 -0.097 0.000) 1.386 5.091 ( -0.296 -1.436 0.000) 1.467 5.095 ( -0.557 -0.720 0.000) 0.911 5.203 ( -1.379 -1.222 0.000) 1.843 5.227 ( 0.794 -0.847 0.000) 1.161 5.276 ( -4.360 -0.848 0.000) 4.441 5.340 ( 1.316 -0.545 0.000) 1.425 5.494 ( -1.240 0.431 0.000) 1.313 5.514 ( -1.778 -0.110 0.000) 1.782 5.543 ( -0.385 -0.494 0.000) 0.626 5.562 ( -0.855 0.211 0.000) 0.881 5.686 ( -6.224 0.487 0.000) 6.243 5.737 ( -2.444 -0.011 0.000) 2.444 5.777 ( -0.141 0.013 0.000) 0.142 5.821 ( 0.414 -0.174 0.000) 0.449 5.963 ( 2.606 -0.176 0.000) 2.612 6.015 ( 5.075 -0.204 0.000) 5.079 6.141 ( 0.059 -0.386 0.000) 0.391 6.277 ( 0.486 0.019 0.000) 0.487 6.280 ( 0.011 -0.127 0.000) 0.127 6.352 ( -0.003 -0.255 0.000) 0.255 ======================= Grid point 20 (14/98) ======================= q-point: (-0.46 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 170 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.618 ( -6.977 0.798 0.000) 7.023 1.626 ( -7.813 -4.175 0.000) 8.858 1.747 ( -4.358 -3.155 0.000) 5.380 1.779 ( -0.607 -5.976 0.000) 6.007 1.830 ( -2.465 -1.920 0.000) 3.125 1.849 ( -3.618 1.478 0.000) 3.908 1.876 ( -0.007 -2.509 0.000) 2.509 1.963 ( -1.503 -0.824 0.000) 1.714 1.997 ( 1.578 -2.236 0.000) 2.737 2.076 ( -0.083 -0.676 0.000) 0.681 2.137 ( -6.662 -2.121 0.000) 6.992 2.154 ( -5.368 -1.842 0.000) 5.675 2.245 ( 0.647 0.430 0.000) 0.777 2.339 ( 0.306 -0.523 0.000) 0.606 2.491 ( 0.280 -2.829 0.000) 2.842 2.492 ( -0.166 2.782 0.000) 2.787 2.509 ( -0.963 2.357 0.000) 2.546 2.523 ( 0.996 -1.228 0.000) 1.581 2.813 ( 1.485 -0.652 0.000) 1.622 2.827 ( 1.675 -3.346 0.000) 3.741 2.866 ( 4.042 -0.328 0.000) 4.055 2.976 ( 3.339 0.831 0.000) 3.441 2.983 ( 1.295 0.106 0.000) 1.299 3.086 ( -1.151 -0.293 0.000) 1.188 3.169 ( -2.654 2.257 0.000) 3.484 3.229 ( 1.191 1.487 0.000) 1.905 3.294 ( -2.131 1.212 0.000) 2.452 3.364 ( -5.893 0.710 0.000) 5.936 3.449 ( 0.487 0.920 0.000) 1.041 3.538 ( -4.761 -2.534 0.000) 5.394 3.554 ( 1.798 4.794 0.000) 5.120 3.574 ( -6.158 -3.782 0.000) 7.226 3.591 ( -1.831 2.138 0.000) 2.815 3.655 ( -1.907 0.131 0.000) 1.912 3.781 ( -9.716 1.704 0.000) 9.865 3.823 ( -9.497 2.594 0.000) 9.845 4.319 ( 0.530 0.053 0.000) 0.532 4.423 ( -0.226 -0.835 0.000) 0.865 4.443 ( -0.634 4.550 0.000) 4.594 4.476 ( -1.671 1.199 0.000) 2.056 4.574 ( -3.287 0.540 0.000) 3.331 4.610 ( -0.151 0.706 0.000) 0.722 4.711 ( -0.330 0.657 0.000) 0.735 4.751 ( 0.525 1.604 0.000) 1.688 4.760 ( -0.624 -0.800 0.000) 1.015 4.768 ( -1.088 0.419 0.000) 1.166 5.103 ( 0.736 -1.608 0.000) 1.768 5.114 ( 0.176 -2.341 0.000) 2.348 5.208 ( 0.375 -3.461 0.000) 3.481 5.217 ( -1.655 -3.446 0.000) 3.823 5.257 ( 1.221 -1.881 0.000) 2.243 5.344 ( -1.613 -1.534 0.000) 2.226 5.437 ( -4.105 0.701 0.000) 4.164 5.455 ( -4.155 -0.121 0.000) 4.157 5.525 ( -1.971 -1.099 0.000) 2.257 5.528 ( -2.313 0.319 0.000) 2.334 5.589 ( -2.695 0.931 0.000) 2.851 5.633 ( -5.865 0.178 0.000) 5.868 5.778 ( 0.096 -0.561 0.000) 0.569 5.836 ( 1.147 0.063 0.000) 1.149 6.052 ( 4.683 -0.420 0.000) 4.702 6.118 ( 4.573 -0.094 0.000) 4.574 6.154 ( 0.956 -1.126 0.000) 1.478 6.282 ( -0.093 -0.659 0.000) 0.665 6.288 ( 0.336 0.353 0.000) 0.488 6.360 ( 0.419 -1.073 0.000) 1.152 ======================= Grid point 21 (15/98) ======================= q-point: (-0.38 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 170 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.441 ( -13.308 -3.427 0.000) 13.743 1.441 ( -10.496 3.211 0.000) 10.976 1.610 ( -9.931 -1.352 0.000) 10.023 1.725 ( -6.810 4.403 0.000) 8.109 1.787 ( -3.772 -3.445 0.000) 5.109 1.800 ( -3.421 -7.769 0.000) 8.489 1.913 ( 0.452 -4.146 0.000) 4.170 1.952 ( -0.282 -1.421 0.000) 1.448 1.994 ( -5.989 -2.902 0.000) 6.655 2.056 ( -1.085 -5.266 0.000) 5.377 2.074 ( -0.677 -1.222 0.000) 1.397 2.105 ( -1.427 -5.025 0.000) 5.224 2.249 ( -0.387 0.217 0.000) 0.443 2.335 ( -1.606 -1.529 0.000) 2.218 2.443 ( -4.144 3.480 0.000) 5.411 2.479 ( 0.177 3.176 0.000) 3.181 2.516 ( 0.629 -1.777 0.000) 1.885 2.542 ( 0.127 0.575 0.000) 0.589 2.807 ( -2.495 -0.900 0.000) 2.652 2.837 ( -3.546 -3.537 0.000) 5.008 2.915 ( -2.001 0.212 0.000) 2.012 2.978 ( -1.414 1.270 0.000) 1.900 3.009 ( -8.021 1.417 0.000) 8.146 3.011 ( 0.529 0.850 0.000) 1.002 3.052 ( -7.760 3.230 0.000) 8.405 3.200 ( -3.886 2.061 0.000) 4.399 3.251 ( 1.629 0.513 0.000) 1.707 3.288 ( -2.148 -0.212 0.000) 2.159 3.426 ( -4.159 -0.281 0.000) 4.169 3.473 ( -9.729 3.316 0.000) 10.279 3.487 ( -1.976 -3.459 0.000) 3.983 3.519 ( -0.812 -3.327 0.000) 3.425 3.559 ( 1.379 6.042 0.000) 6.198 3.595 ( -5.704 1.554 0.000) 5.912 3.619 ( -1.467 0.517 0.000) 1.556 3.678 ( -1.454 3.084 0.000) 3.410 4.304 ( -2.172 1.359 0.000) 2.562 4.376 ( -4.429 1.730 0.000) 4.754 4.376 ( -3.174 4.532 0.000) 5.533 4.452 ( -0.316 -0.561 0.000) 0.644 4.525 ( -1.544 0.087 0.000) 1.547 4.618 ( 0.886 -1.118 0.000) 1.426 4.674 ( -3.051 -0.713 0.000) 3.133 4.704 ( -2.886 -0.070 0.000) 2.886 4.764 ( 0.156 0.670 0.000) 0.688 4.793 ( 2.428 2.362 0.000) 3.387 5.109 ( -0.718 -1.670 0.000) 1.817 5.143 ( 2.500 -1.818 0.000) 3.091 5.240 ( 0.498 -3.665 0.000) 3.699 5.251 ( 0.967 -3.870 0.000) 3.989 5.290 ( 1.122 -1.631 0.000) 1.980 5.304 ( -1.961 -1.711 0.000) 2.602 5.373 ( -4.025 -0.385 0.000) 4.043 5.378 ( -1.147 -0.314 0.000) 1.189 5.478 ( -4.812 -0.030 0.000) 4.812 5.480 ( -2.333 0.057 0.000) 2.334 5.519 ( -1.384 -0.191 0.000) 1.397 5.599 ( 0.761 0.433 0.000) 0.876 5.786 ( 0.204 -1.023 0.000) 1.043 5.862 ( 1.600 0.488 0.000) 1.673 6.112 ( 0.655 -0.808 0.000) 1.040 6.159 ( 0.929 0.235 0.000) 0.958 6.206 ( 2.713 -0.884 0.000) 2.854 6.274 ( -1.568 0.697 0.000) 1.715 6.283 ( -0.386 -1.857 0.000) 1.897 6.380 ( 0.782 -1.817 0.000) 1.978 ======================= Grid point 22 (16/98) ======================= q-point: (-0.31 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 170 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.165 ( -16.414 -0.418 0.000) 16.419 1.181 ( -14.055 5.713 0.000) 15.172 1.412 ( -10.465 1.132 0.000) 10.526 1.564 ( -6.850 4.909 0.000) 8.427 1.702 ( -9.290 -5.562 0.000) 10.828 1.711 ( -6.790 -3.112 0.000) 7.469 1.891 ( -9.072 -5.612 0.000) 10.667 1.905 ( -3.655 -3.199 0.000) 4.857 1.962 ( 0.333 -1.288 0.000) 1.330 2.053 ( -3.117 -3.719 0.000) 4.853 2.062 ( -1.493 -1.845 0.000) 2.373 2.117 ( -0.782 -3.411 0.000) 3.499 2.220 ( -2.134 0.555 0.000) 2.205 2.284 ( -4.981 -2.383 0.000) 5.521 2.302 ( -8.088 4.062 0.000) 9.050 2.435 ( -10.057 3.212 0.000) 10.558 2.469 ( 0.231 2.448 0.000) 2.459 2.548 ( 0.480 0.895 0.000) 1.015 2.699 ( -10.761 3.669 0.000) 11.369 2.733 ( -5.762 0.131 0.000) 5.764 2.751 ( -5.617 -2.495 0.000) 6.146 2.882 ( -7.152 1.871 0.000) 7.393 2.885 ( -5.029 1.051 0.000) 5.137 2.957 ( -1.284 1.579 0.000) 2.035 2.984 ( -3.022 0.918 0.000) 3.159 3.127 ( -4.951 -2.336 0.000) 5.474 3.227 ( -7.753 2.637 0.000) 8.189 3.239 ( -11.232 0.571 0.000) 11.247 3.267 ( -0.931 -2.647 0.000) 2.806 3.305 ( -2.737 0.097 0.000) 2.739 3.489 ( 0.302 -1.452 0.000) 1.483 3.539 ( 1.596 3.156 0.000) 3.537 3.569 ( 3.852 -0.642 0.000) 3.905 3.602 ( 0.113 0.396 0.000) 0.412 3.632 ( 3.645 2.292 0.000) 4.306 3.674 ( 2.621 1.475 0.000) 3.008 4.219 ( -4.935 2.828 0.000) 5.688 4.263 ( -5.650 2.324 0.000) 6.109 4.289 ( -4.448 1.878 0.000) 4.829 4.456 ( -0.302 -1.771 0.000) 1.796 4.511 ( -0.086 -0.331 0.000) 0.342 4.612 ( -4.209 -2.632 0.000) 4.964 4.651 ( -2.526 -0.540 0.000) 2.583 4.652 ( 1.659 -1.268 0.000) 2.088 4.756 ( 0.314 1.605 0.000) 1.635 4.824 ( 2.077 2.563 0.000) 3.299 5.115 ( 0.283 -1.185 0.000) 1.219 5.203 ( 1.991 -1.258 0.000) 2.355 5.254 ( -0.611 -1.884 0.000) 1.981 5.257 ( -0.521 -2.364 0.000) 2.420 5.283 ( -1.641 0.448 0.000) 1.701 5.323 ( 0.757 -1.425 0.000) 1.613 5.353 ( 1.676 -0.562 0.000) 1.768 5.394 ( -2.554 0.008 0.000) 2.554 5.404 ( 3.534 0.205 0.000) 3.540 5.453 ( -0.172 -0.905 0.000) 0.921 5.522 ( 1.126 0.162 0.000) 1.138 5.625 ( 2.107 0.054 0.000) 2.108 5.796 ( 0.094 -1.359 0.000) 1.362 5.886 ( 1.100 1.208 0.000) 1.633 6.091 ( -2.815 -0.782 0.000) 2.921 6.163 ( -0.476 0.553 0.000) 0.730 6.225 ( -2.868 0.578 0.000) 2.926 6.243 ( 0.636 -0.873 0.000) 1.080 6.290 ( -0.441 -3.271 0.000) 3.300 6.408 ( 0.948 -2.274 0.000) 2.464 ======================= Grid point 23 (17/98) ======================= q-point: (-0.23 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 170 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.831 ( -16.947 4.531 0.000) 17.542 0.853 ( -15.936 8.117 0.000) 17.884 1.212 ( -8.818 3.690 0.000) 9.559 1.429 ( -4.383 3.243 0.000) 5.453 1.507 ( -15.387 1.718 0.000) 15.482 1.536 ( -16.784 -2.556 0.000) 16.978 1.587 ( -16.309 5.663 0.000) 17.264 1.844 ( -2.920 -1.805 0.000) 3.433 1.971 ( -0.885 -1.454 0.000) 1.702 1.986 ( -4.943 -2.762 0.000) 5.663 2.012 ( -5.588 -0.553 0.000) 5.616 2.061 ( -8.127 -2.407 0.000) 8.476 2.131 ( -4.808 1.884 0.000) 5.164 2.180 ( -8.325 -0.625 0.000) 8.348 2.201 ( 0.422 0.691 0.000) 0.810 2.224 ( -5.261 1.462 0.000) 5.461 2.455 ( -0.775 0.902 0.000) 1.189 2.513 ( -3.161 1.878 0.000) 3.677 2.566 ( -3.382 1.888 0.000) 3.873 2.613 ( -4.345 2.704 0.000) 5.117 2.682 ( -2.658 -1.623 0.000) 3.115 2.780 ( -3.164 0.733 0.000) 3.248 2.790 ( -3.277 1.477 0.000) 3.595 2.889 ( -5.723 1.779 0.000) 5.993 2.930 ( -1.783 -1.505 0.000) 2.333 2.995 ( -10.372 -0.659 0.000) 10.393 3.027 ( -7.549 1.584 0.000) 7.714 3.121 ( -3.306 -2.482 0.000) 4.134 3.247 ( -2.849 -4.363 0.000) 5.211 3.282 ( -1.919 -2.807 0.000) 3.400 3.504 ( 0.688 0.121 0.000) 0.699 3.538 ( 0.242 4.772 0.000) 4.778 3.599 ( 0.541 1.135 0.000) 1.257 3.656 ( 4.154 0.512 0.000) 4.185 3.661 ( 2.174 2.864 0.000) 3.596 3.767 ( 5.420 -0.908 0.000) 5.495 4.106 ( -5.276 1.786 0.000) 5.570 4.150 ( -4.718 1.700 0.000) 5.014 4.172 ( -6.912 1.153 0.000) 7.008 4.450 ( -2.260 -4.415 0.000) 4.959 4.521 ( 0.535 -1.397 0.000) 1.496 4.547 ( -4.804 -5.155 0.000) 7.046 4.626 ( -0.514 -1.135 0.000) 1.246 4.666 ( -0.003 2.733 0.000) 2.733 4.803 ( 5.609 0.199 0.000) 5.612 4.843 ( 1.289 2.367 0.000) 2.695 5.125 ( 0.348 -0.223 0.000) 0.414 5.207 ( -1.383 -1.591 0.000) 2.108 5.254 ( 0.224 1.950 0.000) 1.963 5.258 ( 0.171 -0.397 0.000) 0.432 5.277 ( 0.203 -1.123 0.000) 1.141 5.316 ( -1.040 -0.152 0.000) 1.051 5.386 ( 1.023 0.403 0.000) 1.100 5.392 ( 2.382 2.186 0.000) 3.232 5.489 ( 2.780 -1.637 0.000) 3.226 5.508 ( 7.129 1.093 0.000) 7.213 5.553 ( 2.545 1.323 0.000) 2.868 5.675 ( 2.851 -0.341 0.000) 2.871 5.800 ( -0.482 -1.418 0.000) 1.497 5.880 ( -0.936 1.883 0.000) 2.103 6.027 ( -3.969 -0.541 0.000) 4.006 6.139 ( -1.725 -0.087 0.000) 1.727 6.171 ( -2.268 0.441 0.000) 2.311 6.240 ( -1.383 -0.661 0.000) 1.533 6.295 ( -1.579 -4.696 0.000) 4.954 6.444 ( 1.474 -2.846 0.000) 3.205 ======================= Grid point 24 (18/98) ======================= q-point: (-0.15 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 170 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.484 ( -14.190 11.780 0.000) 18.442 0.498 ( -14.942 12.074 0.000) 19.211 0.949 ( -28.810 19.605 0.000) 34.848 1.045 ( -6.565 3.787 0.000) 7.579 1.174 ( -13.762 7.804 0.000) 15.821 1.376 ( -0.434 -1.133 0.000) 1.213 1.465 ( -3.048 -0.311 0.000) 3.064 1.820 ( -0.885 -1.561 0.000) 1.794 1.838 ( -7.723 0.613 0.000) 7.747 1.844 ( -11.026 2.311 0.000) 11.266 1.893 ( -7.405 -1.277 0.000) 7.515 1.990 ( 0.246 -0.588 0.000) 0.638 2.006 ( -7.517 -1.986 0.000) 7.775 2.093 ( -0.299 0.014 0.000) 0.300 2.216 ( 2.587 0.999 0.000) 2.774 2.234 ( 2.695 0.238 0.000) 2.705 2.433 ( -1.082 -0.182 0.000) 1.098 2.442 ( -2.920 0.596 0.000) 2.980 2.502 ( -0.798 4.521 0.000) 4.591 2.579 ( -0.213 -1.085 0.000) 1.106 2.662 ( -0.584 -1.213 0.000) 1.346 2.716 ( -4.492 -0.568 0.000) 4.527 2.745 ( -3.292 1.673 0.000) 3.693 2.784 ( -6.896 -0.732 0.000) 6.935 2.786 ( -2.211 3.243 0.000) 3.925 2.895 ( -3.605 -0.575 0.000) 3.650 2.942 ( -1.463 -0.479 0.000) 1.540 3.093 ( -1.529 -2.666 0.000) 3.074 3.218 ( -2.298 -3.963 0.000) 4.581 3.265 ( -1.490 -4.442 0.000) 4.686 3.504 ( -0.310 6.220 0.000) 6.228 3.511 ( 0.371 0.644 0.000) 0.743 3.603 ( 0.728 1.998 0.000) 2.126 3.698 ( 4.687 5.645 0.000) 7.337 3.720 ( 2.713 0.289 0.000) 2.728 3.863 ( 3.451 -2.055 0.000) 4.016 4.008 ( -3.881 0.882 0.000) 3.980 4.031 ( -6.437 0.870 0.000) 6.496 4.071 ( -2.780 0.707 0.000) 2.868 4.398 ( -10.187 -13.036 0.000) 16.545 4.486 ( -4.003 -5.789 0.000) 7.038 4.547 ( 0.773 -3.216 0.000) 3.307 4.634 ( 0.431 -0.968 0.000) 1.060 4.641 ( -0.035 5.219 0.000) 5.219 4.847 ( 0.468 1.917 0.000) 1.973 4.951 ( 10.280 1.952 0.000) 10.464 5.136 ( 2.187 2.944 0.000) 3.667 5.196 ( -0.459 -0.619 0.000) 0.771 5.252 ( 0.541 0.785 0.000) 0.953 5.261 ( 0.101 0.091 0.000) 0.136 5.284 ( 0.147 0.124 0.000) 0.192 5.305 ( 0.012 0.952 0.000) 0.952 5.400 ( 0.803 1.401 0.000) 1.614 5.413 ( 1.573 4.190 0.000) 4.476 5.552 ( 2.421 -1.168 0.000) 2.688 5.584 ( 3.449 3.702 0.000) 5.060 5.669 ( 8.403 0.435 0.000) 8.415 5.727 ( 2.024 -0.342 0.000) 2.053 5.791 ( -1.211 -1.107 0.000) 1.641 5.837 ( -1.957 1.578 0.000) 2.514 5.952 ( -4.096 -0.493 0.000) 4.125 6.102 ( -2.824 -1.754 0.000) 3.325 6.138 ( -0.902 0.727 0.000) 1.159 6.203 ( -2.383 -0.235 0.000) 2.394 6.266 ( -5.808 -7.701 0.000) 9.645 6.492 ( 1.559 -3.195 0.000) 3.555 ======================= Grid point 25 (19/98) ======================= q-point: (-0.08 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 98 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.216 ( -0.000 19.659 0.000) 19.659 0.232 ( -0.000 20.857 0.000) 20.857 0.400 ( -0.000 36.217 0.000) 36.217 0.930 ( -0.000 3.069 0.000) 3.069 1.004 ( -0.000 7.923 0.000) 7.923 1.405 ( 0.000 -6.465 0.000) 6.465 1.444 ( -0.000 2.388 0.000) 2.388 1.684 ( -0.000 5.807 0.000) 5.807 1.753 ( -0.000 0.591 0.000) 0.591 1.814 ( 0.000 -0.491 0.000) 0.491 1.822 ( 0.000 -1.014 0.000) 1.014 1.942 ( 0.000 -1.634 0.000) 1.634 1.995 ( 0.000 -0.436 0.000) 0.436 2.093 ( 0.000 -0.175 0.000) 0.175 2.260 ( 0.000 -0.994 0.000) 0.994 2.268 ( -0.000 0.233 0.000) 0.233 2.410 ( -0.000 0.046 0.000) 0.046 2.423 ( 0.000 -0.406 0.000) 0.406 2.487 ( -0.000 2.872 0.000) 2.872 2.536 ( -0.000 1.206 0.000) 1.206 2.657 ( 0.000 -0.101 0.000) 0.101 2.665 ( 0.000 -1.249 0.000) 1.249 2.683 ( 0.000 -1.664 0.000) 1.664 2.756 ( -0.000 2.571 0.000) 2.571 2.787 ( -0.000 1.710 0.000) 1.710 2.852 ( 0.000 -0.437 0.000) 0.437 2.929 ( 0.000 -0.797 0.000) 0.797 3.089 ( 0.000 -1.449 0.000) 1.449 3.212 ( 0.000 -2.590 0.000) 2.590 3.283 ( 0.000 -6.028 0.000) 6.028 3.465 ( -0.000 7.540 0.000) 7.540 3.513 ( -0.000 0.211 0.000) 0.211 3.600 ( -0.000 2.193 0.000) 2.193 3.750 ( 0.000 -0.198 0.000) 0.198 3.894 ( 0.000 -4.229 0.000) 4.229 3.955 ( -0.000 0.614 0.000) 0.614 3.964 ( -0.000 0.548 0.000) 0.548 3.973 ( 0.000 -0.812 0.000) 0.812 4.003 ( -0.000 0.551 0.000) 0.551 4.041 ( -0.000 0.380 0.000) 0.380 4.480 ( 0.000 -4.984 0.000) 4.984 4.576 ( 0.000 -3.734 0.000) 3.734 4.611 ( -0.000 5.679 0.000) 5.679 4.643 ( 0.000 -0.143 0.000) 0.143 4.843 ( -0.000 1.300 0.000) 1.300 5.077 ( 0.000 -2.023 0.000) 2.023 5.193 ( -0.000 0.187 0.000) 0.187 5.241 ( 0.000 -0.784 0.000) 0.784 5.256 ( -0.000 1.725 0.000) 1.725 5.283 ( 0.000 -1.402 0.000) 1.402 5.287 ( 0.000 -1.844 0.000) 1.844 5.322 ( -0.000 0.712 0.000) 0.712 5.402 ( -0.000 1.643 0.000) 1.643 5.405 ( -0.000 4.305 0.000) 4.305 5.582 ( 0.000 -0.653 0.000) 0.653 5.748 ( 0.000 -0.304 0.000) 0.304 5.757 ( 0.000 -0.463 0.000) 0.463 5.777 ( 0.000 -0.400 0.000) 0.400 5.784 ( -0.000 0.558 0.000) 0.558 5.812 ( -0.000 0.625 0.000) 0.625 5.884 ( -0.000 1.130 0.000) 1.130 5.899 ( 0.000 -1.044 0.000) 1.044 6.125 ( -0.000 0.710 0.000) 0.710 6.155 ( -0.000 0.074 0.000) 0.074 6.175 ( -0.000 0.081 0.000) 0.081 6.526 ( 0.000 -2.580 0.000) 2.580 ======================= Grid point 28 (20/98) ======================= q-point: ( 0.15 0.15 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 98 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.384 ( 13.395 -0.000 0.000) 13.395 1.509 ( 13.063 -0.000 0.000) 13.063 1.643 ( 11.551 -0.000 0.000) 11.551 1.654 ( 9.757 -0.000 0.000) 9.757 1.853 ( 3.300 -0.000 0.000) 3.300 1.942 ( 4.757 -0.000 0.000) 4.757 1.965 ( -1.308 0.000 0.000) 1.308 1.992 ( 0.500 -0.000 0.000) 0.500 2.017 ( 0.918 -0.000 0.000) 0.918 2.121 ( -1.053 0.000 0.000) 1.053 2.224 ( -1.934 0.000 0.000) 1.934 2.239 ( 3.979 -0.000 0.000) 3.979 2.273 ( 0.581 -0.000 0.000) 0.581 2.337 ( 5.948 -0.000 0.000) 5.948 2.348 ( 0.432 -0.000 0.000) 0.432 2.418 ( 0.094 -0.000 0.000) 0.094 2.515 ( 3.832 -0.000 0.000) 3.832 2.541 ( 0.884 -0.000 0.000) 0.884 2.851 ( 3.692 -0.000 0.000) 3.692 2.886 ( 4.038 -0.000 0.000) 4.038 2.923 ( 4.697 -0.000 0.000) 4.697 2.941 ( 11.520 -0.000 0.000) 11.520 2.968 ( 4.370 -0.000 0.000) 4.370 2.970 ( 4.230 -0.000 0.000) 4.230 2.998 ( 2.030 -0.000 0.000) 2.030 3.149 ( -4.840 0.000 0.000) 4.840 3.239 ( -4.055 0.000 0.000) 4.055 3.307 ( 4.939 -0.000 0.000) 4.939 3.406 ( 6.706 -0.000 0.000) 6.706 3.406 ( 1.863 -0.000 0.000) 1.863 3.503 ( 3.729 -0.000 0.000) 3.729 3.535 ( 1.733 -0.000 0.000) 1.733 3.554 ( 4.079 -0.000 0.000) 4.079 3.583 ( 2.108 -0.000 0.000) 2.108 3.586 ( 0.931 -0.000 0.000) 0.931 3.625 ( 2.962 -0.000 0.000) 2.962 4.249 ( 3.938 -0.000 0.000) 3.938 4.317 ( 1.057 -0.000 0.000) 1.057 4.333 ( 5.173 -0.000 0.000) 5.173 4.456 ( -0.805 0.000 0.000) 0.805 4.529 ( 1.733 -0.000 0.000) 1.733 4.651 ( -1.222 0.000 0.000) 1.222 4.690 ( 1.131 -0.000 0.000) 1.131 4.695 ( 2.437 -0.000 0.000) 2.437 4.752 ( -1.674 0.000 0.000) 1.674 4.753 ( 1.771 -0.000 0.000) 1.771 5.147 ( 0.866 -0.000 0.000) 0.866 5.191 ( -2.363 0.000 0.000) 2.363 5.302 ( 0.238 -0.000 0.000) 0.238 5.310 ( -0.560 0.000 0.000) 0.560 5.311 ( 2.497 -0.000 0.000) 2.497 5.337 ( -1.556 0.000 0.000) 1.556 5.378 ( 3.570 -0.000 0.000) 3.570 5.398 ( 1.817 -0.000 0.000) 1.817 5.480 ( 5.621 -0.000 0.000) 5.621 5.484 ( 1.768 -0.000 0.000) 1.768 5.517 ( 0.779 -0.000 0.000) 0.779 5.589 ( -1.276 0.000 0.000) 1.276 5.818 ( -0.517 0.000 0.000) 0.517 5.842 ( -1.114 0.000 0.000) 1.114 6.133 ( -2.322 0.000 0.000) 2.322 6.143 ( 0.919 -0.000 0.000) 0.919 6.227 ( -2.506 0.000 0.000) 2.506 6.261 ( 1.737 -0.000 0.000) 1.737 6.324 ( -1.119 0.000 0.000) 1.119 6.415 ( -1.430 0.000 0.000) 1.430 ======================= Grid point 29 (21/98) ======================= q-point: ( 0.23 0.15 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 170 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.602 ( 9.074 -0.130 0.000) 9.075 1.687 ( 6.166 0.193 0.000) 6.169 1.819 ( 6.183 0.647 0.000) 6.217 1.828 ( 6.808 0.049 0.000) 6.808 1.882 ( -0.543 0.574 0.000) 0.791 1.932 ( -1.846 0.441 0.000) 1.898 1.949 ( -2.328 1.303 0.000) 2.667 1.984 ( -0.291 0.188 0.000) 0.346 2.054 ( 1.305 1.373 0.000) 1.894 2.095 ( -1.381 0.166 0.000) 1.391 2.169 ( -1.985 0.002 0.000) 1.985 2.259 ( -0.614 0.648 0.000) 0.893 2.266 ( 0.779 1.866 0.000) 2.021 2.356 ( 0.152 -0.094 0.000) 0.178 2.427 ( 3.151 -1.124 0.000) 3.345 2.436 ( 1.343 -0.540 0.000) 1.447 2.532 ( -1.649 0.135 0.000) 1.655 2.544 ( -0.327 0.042 0.000) 0.330 2.849 ( -2.878 0.648 0.000) 2.950 2.872 ( -1.156 -0.159 0.000) 1.167 2.885 ( -4.431 0.172 0.000) 4.435 2.983 ( -2.343 0.673 0.000) 2.437 3.007 ( -1.402 2.176 0.000) 2.589 3.040 ( -1.265 -2.648 0.000) 2.935 3.107 ( 5.175 -0.838 0.000) 5.242 3.191 ( -0.641 -0.378 0.000) 0.744 3.266 ( 11.715 0.211 0.000) 11.717 3.315 ( -0.957 -1.485 0.000) 1.767 3.425 ( -0.813 0.466 0.000) 0.936 3.447 ( 3.671 -1.215 0.000) 3.867 3.571 ( 1.950 -0.032 0.000) 1.950 3.579 ( 2.612 0.114 0.000) 2.614 3.646 ( 3.955 0.585 0.000) 3.998 3.690 ( 3.251 0.714 0.000) 3.329 3.729 ( 11.422 -0.212 0.000) 11.424 3.752 ( 11.072 -1.100 0.000) 11.127 4.313 ( 0.370 0.659 0.000) 0.756 4.328 ( 2.365 -1.928 0.000) 3.051 4.417 ( 3.357 -0.198 0.000) 3.363 4.439 ( -1.015 -0.450 0.000) 1.110 4.579 ( 3.393 0.199 0.000) 3.399 4.636 ( -0.114 0.619 0.000) 0.629 4.706 ( 0.539 -0.025 0.000) 0.539 4.724 ( -1.239 0.074 0.000) 1.241 4.745 ( 2.455 -0.550 0.000) 2.516 4.769 ( -0.051 0.003 0.000) 0.052 5.148 ( -1.692 0.535 0.000) 1.775 5.165 ( 0.526 0.477 0.000) 0.710 5.284 ( -1.816 0.632 0.000) 1.923 5.287 ( -1.816 0.129 0.000) 1.820 5.300 ( -1.336 0.829 0.000) 1.573 5.363 ( 1.512 -0.092 0.000) 1.515 5.442 ( 3.014 0.326 0.000) 3.031 5.455 ( 3.901 -0.024 0.000) 3.901 5.525 ( 2.259 0.026 0.000) 2.259 5.551 ( 0.410 0.377 0.000) 0.558 5.562 ( 3.697 -0.439 0.000) 3.723 5.623 ( 6.273 -0.160 0.000) 6.275 5.805 ( -0.577 0.637 0.000) 0.859 5.823 ( -0.878 -0.489 0.000) 1.004 6.064 ( -4.697 0.126 0.000) 4.699 6.117 ( -4.035 -0.041 0.000) 4.035 6.181 ( -1.645 0.267 0.000) 1.667 6.280 ( 0.193 -0.068 0.000) 0.205 6.302 ( -1.003 0.232 0.000) 1.030 6.387 ( -1.430 0.256 0.000) 1.452 ======================= Grid point 30 (22/98) ======================= q-point: ( 0.31 0.15 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 170 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.725 ( 3.758 0.304 0.000) 3.771 1.760 ( 1.623 0.485 0.000) 1.694 1.819 ( -3.199 1.269 0.000) 3.442 1.843 ( -3.613 -0.194 0.000) 3.618 1.845 ( -4.327 2.528 0.000) 5.011 1.883 ( -2.871 -0.583 0.000) 2.930 1.940 ( 2.554 -0.006 0.000) 2.554 1.981 ( -1.012 -0.222 0.000) 1.036 2.043 ( -1.066 1.555 0.000) 1.885 2.073 ( -0.761 -0.104 0.000) 0.768 2.186 ( 2.741 -0.712 0.000) 2.832 2.254 ( 0.063 0.860 0.000) 0.863 2.272 ( 0.333 0.346 0.000) 0.480 2.346 ( -1.111 0.327 0.000) 1.158 2.472 ( 2.414 -0.296 0.000) 2.432 2.482 ( 2.077 -0.822 0.000) 2.234 2.486 ( -2.307 -0.512 0.000) 2.363 2.535 ( -0.845 0.068 0.000) 0.848 2.781 ( -3.143 -0.585 0.000) 3.197 2.805 ( -3.585 -0.364 0.000) 3.604 2.818 ( -3.935 0.945 0.000) 4.047 2.929 ( -1.619 0.819 0.000) 1.814 2.965 ( -0.756 0.669 0.000) 1.009 3.052 ( 0.882 -2.475 0.000) 2.627 3.176 ( 2.055 -0.546 0.000) 2.126 3.198 ( 0.670 -0.334 0.000) 0.748 3.343 ( 3.166 0.756 0.000) 3.255 3.373 ( -0.965 -0.927 0.000) 1.338 3.464 ( 5.857 0.986 0.000) 5.940 3.517 ( 2.378 1.227 0.000) 2.676 3.599 ( 1.213 -0.901 0.000) 1.511 3.619 ( 1.220 0.179 0.000) 1.233 3.697 ( 1.088 0.595 0.000) 1.240 3.715 ( -0.619 0.499 0.000) 0.795 3.907 ( 4.915 -0.496 0.000) 4.940 3.926 ( 6.430 -1.304 0.000) 6.561 4.296 ( -0.874 -0.343 0.000) 0.939 4.400 ( 3.599 -0.820 0.000) 3.691 4.412 ( -1.314 -0.278 0.000) 1.343 4.475 ( 2.062 -0.604 0.000) 2.149 4.639 ( 0.943 1.359 0.000) 1.654 4.651 ( 4.001 0.338 0.000) 4.015 4.697 ( -1.562 0.327 0.000) 1.595 4.711 ( -0.000 0.422 0.000) 0.422 4.762 ( -0.561 -1.036 0.000) 1.179 4.793 ( 1.852 -0.774 0.000) 2.008 5.119 ( -1.376 0.455 0.000) 1.449 5.135 ( -3.116 0.742 0.000) 3.203 5.238 ( -2.133 0.511 0.000) 2.193 5.242 ( -2.677 0.078 0.000) 2.678 5.303 ( 1.758 0.545 0.000) 1.841 5.346 ( -2.829 -0.122 0.000) 2.832 5.495 ( 1.798 0.316 0.000) 1.826 5.512 ( 1.709 -0.131 0.000) 1.714 5.543 ( -0.546 -0.268 0.000) 0.608 5.560 ( 1.189 0.052 0.000) 1.191 5.672 ( 6.529 -0.214 0.000) 6.533 5.736 ( 3.324 -0.050 0.000) 3.325 5.791 ( -0.572 0.612 0.000) 0.838 5.814 ( -0.292 -0.454 0.000) 0.540 5.975 ( -2.991 0.297 0.000) 3.006 6.017 ( -5.497 -0.071 0.000) 5.497 6.153 ( -1.250 0.222 0.000) 1.270 6.276 ( -0.322 -0.021 0.000) 0.323 6.285 ( -0.594 0.128 0.000) 0.607 6.362 ( -0.939 0.178 0.000) 0.956 ======================= Grid point 31 (23/98) ======================= q-point: (-0.62 0.15 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 170 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.694 ( -5.834 0.684 0.000) 5.874 1.724 ( -3.218 0.870 0.000) 3.334 1.765 ( -3.571 -0.752 0.000) 3.650 1.791 ( -4.494 -2.568 0.000) 5.176 1.796 ( 0.344 -1.981 0.000) 2.011 1.842 ( 0.958 -0.917 0.000) 1.327 1.931 ( -4.137 -0.218 0.000) 4.143 1.973 ( 0.194 -0.442 0.000) 0.483 2.001 ( -2.534 0.431 0.000) 2.570 2.069 ( 0.037 -0.198 0.000) 0.201 2.214 ( -1.301 0.912 0.000) 1.589 2.246 ( -0.063 0.646 0.000) 0.650 2.251 ( -3.852 -0.761 0.000) 3.926 2.328 ( 0.301 0.335 0.000) 0.451 2.461 ( -1.198 -1.078 0.000) 1.611 2.501 ( -2.132 -1.665 0.000) 2.706 2.515 ( 1.774 1.147 0.000) 2.113 2.523 ( 1.947 0.532 0.000) 2.018 2.761 ( 0.818 -0.785 0.000) 1.134 2.764 ( -0.916 -1.797 0.000) 2.017 2.790 ( 2.056 -0.902 0.000) 2.245 2.931 ( 2.180 0.854 0.000) 2.341 2.966 ( 0.703 0.312 0.000) 0.769 3.081 ( 0.691 -0.965 0.000) 1.187 3.202 ( 0.603 0.270 0.000) 0.660 3.217 ( 1.344 0.136 0.000) 1.351 3.325 ( -2.024 -0.312 0.000) 2.048 3.419 ( 2.316 0.699 0.000) 2.419 3.501 ( -2.115 2.169 0.000) 3.030 3.552 ( 4.166 3.084 0.000) 5.183 3.605 ( -3.177 -0.103 0.000) 3.179 3.628 ( 0.973 0.128 0.000) 0.982 3.654 ( -5.592 -1.094 0.000) 5.698 3.687 ( -1.440 -0.010 0.000) 1.440 3.919 ( -3.742 -0.761 0.000) 3.819 3.973 ( -2.345 0.129 0.000) 2.348 4.296 ( 0.633 -0.625 0.000) 0.890 4.400 ( -0.084 -0.914 0.000) 0.918 4.466 ( 3.181 1.371 0.000) 3.464 4.500 ( 0.228 -0.016 0.000) 0.228 4.649 ( 0.700 2.887 0.000) 2.971 4.649 ( -2.785 0.704 0.000) 2.873 4.705 ( 0.387 0.390 0.000) 0.549 4.725 ( 3.590 1.106 0.000) 3.756 4.764 ( -0.657 -1.874 0.000) 1.986 4.807 ( -1.088 -0.521 0.000) 1.206 5.077 ( -1.928 -0.978 0.000) 2.162 5.088 ( -1.424 -0.507 0.000) 1.512 5.192 ( -2.387 -0.790 0.000) 2.514 5.218 ( -0.060 -0.851 0.000) 0.853 5.268 ( -5.094 -0.597 0.000) 5.129 5.334 ( 0.703 -0.483 0.000) 0.853 5.500 ( -0.925 0.639 0.000) 1.124 5.513 ( -1.760 -0.154 0.000) 1.766 5.536 ( -0.694 -0.696 0.000) 0.983 5.564 ( -0.748 0.202 0.000) 0.774 5.691 ( -6.074 0.347 0.000) 6.083 5.737 ( -2.171 -0.035 0.000) 2.171 5.778 ( -0.404 0.237 0.000) 0.468 5.818 ( 0.477 -0.309 0.000) 0.569 5.962 ( 2.225 -0.031 0.000) 2.225 6.013 ( 5.122 -0.214 0.000) 5.126 6.137 ( -0.339 -0.259 0.000) 0.426 6.277 ( 0.536 0.006 0.000) 0.536 6.279 ( -0.145 -0.063 0.000) 0.158 6.350 ( -0.301 -0.156 0.000) 0.339 ======================= Grid point 32 (24/98) ======================= q-point: (-0.54 0.15 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 170 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.577 ( -8.252 -4.337 0.000) 9.322 1.627 ( -6.027 1.005 0.000) 6.110 1.713 ( -4.117 -3.049 0.000) 5.123 1.721 ( -3.286 -4.395 0.000) 5.487 1.811 ( -2.025 -1.490 0.000) 2.514 1.850 ( -2.439 -2.168 0.000) 3.263 1.866 ( -0.849 1.543 0.000) 1.761 1.955 ( -1.793 -0.632 0.000) 1.901 1.971 ( 0.576 -2.189 0.000) 2.264 2.070 ( -0.196 -0.437 0.000) 0.479 2.114 ( -9.045 -1.861 0.000) 9.235 2.143 ( -6.187 -0.411 0.000) 6.201 2.250 ( 0.632 0.555 0.000) 0.841 2.337 ( 0.005 0.084 0.000) 0.084 2.458 ( 0.279 -2.968 0.000) 2.982 2.508 ( 1.400 -1.485 0.000) 2.041 2.524 ( 0.290 2.811 0.000) 2.826 2.532 ( -0.411 1.765 0.000) 1.812 2.790 ( 1.266 -3.315 0.000) 3.549 2.811 ( 2.604 0.211 0.000) 2.612 2.862 ( 4.086 -0.399 0.000) 4.106 2.983 ( 1.051 -0.072 0.000) 1.053 2.985 ( 3.245 0.785 0.000) 3.338 3.080 ( -1.353 -0.589 0.000) 1.476 3.193 ( -1.463 2.098 0.000) 2.558 3.244 ( 1.746 1.263 0.000) 2.155 3.300 ( -0.414 0.062 0.000) 0.418 3.377 ( -6.293 1.732 0.000) 6.527 3.451 ( -2.089 -0.550 0.000) 2.161 3.510 ( -6.245 -2.394 0.000) 6.688 3.533 ( -7.201 -3.590 0.000) 8.047 3.601 ( 2.372 3.444 0.000) 4.182 3.624 ( -0.043 3.880 0.000) 3.880 3.659 ( -1.472 0.480 0.000) 1.548 3.793 ( -8.718 0.473 0.000) 8.731 3.851 ( -8.695 2.358 0.000) 9.009 4.317 ( 0.866 -0.315 0.000) 0.921 4.409 ( -0.136 -1.441 0.000) 1.447 4.485 ( -1.568 0.417 0.000) 1.622 4.491 ( 0.368 3.885 0.000) 3.902 4.584 ( -3.097 1.364 0.000) 3.384 4.628 ( -0.890 2.467 0.000) 2.623 4.720 ( -0.539 0.868 0.000) 1.022 4.749 ( -0.015 -1.063 0.000) 1.063 4.760 ( -3.242 -0.116 0.000) 3.244 4.779 ( 2.793 1.699 0.000) 3.269 5.086 ( 0.665 -1.479 0.000) 1.621 5.087 ( 1.039 -2.531 0.000) 2.736 5.171 ( -0.604 -2.989 0.000) 3.050 5.182 ( -3.599 -2.802 0.000) 4.561 5.235 ( 0.738 -2.065 0.000) 2.193 5.327 ( -2.033 -1.508 0.000) 2.532 5.447 ( -4.178 1.127 0.000) 4.327 5.453 ( -4.225 -0.176 0.000) 4.228 5.513 ( -2.022 -1.246 0.000) 2.375 5.532 ( -2.287 0.355 0.000) 2.314 5.599 ( -2.440 0.809 0.000) 2.570 5.634 ( -6.083 -0.016 0.000) 6.083 5.774 ( -0.104 -0.253 0.000) 0.273 5.836 ( 1.266 -0.109 0.000) 1.271 6.048 ( 4.649 -0.324 0.000) 4.660 6.116 ( 4.740 -0.143 0.000) 4.742 6.142 ( 0.618 -0.954 0.000) 1.136 6.276 ( -0.436 -0.443 0.000) 0.621 6.291 ( 0.681 0.346 0.000) 0.764 6.349 ( -0.134 -0.923 0.000) 0.933 ======================= Grid point 33 (25/98) ======================= q-point: (-0.46 0.15 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 170 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.407 ( -11.511 -2.677 0.000) 11.819 1.480 ( -8.518 3.739 0.000) 9.302 1.598 ( -8.515 -0.874 0.000) 8.560 1.710 ( -3.296 -8.207 0.000) 8.844 1.747 ( -4.497 -3.737 0.000) 5.847 1.779 ( -5.061 5.151 0.000) 7.221 1.864 ( -0.446 -4.608 0.000) 4.630 1.937 ( -0.320 -1.289 0.000) 1.328 1.944 ( -9.736 -5.427 0.000) 11.146 2.020 ( -1.185 -1.854 0.000) 2.200 2.055 ( -0.704 -4.155 0.000) 4.214 2.064 ( -0.692 -0.593 0.000) 0.911 2.253 ( -0.408 0.424 0.000) 0.589 2.318 ( -2.496 -1.584 0.000) 2.956 2.480 ( -3.589 3.160 0.000) 4.782 2.495 ( 1.809 -1.825 0.000) 2.569 2.513 ( 0.159 3.044 0.000) 3.048 2.544 ( 1.139 -0.162 0.000) 1.150 2.798 ( -3.325 -3.523 0.000) 4.844 2.802 ( -3.568 -0.139 0.000) 3.571 2.916 ( -0.904 0.055 0.000) 0.906 2.989 ( -0.039 0.816 0.000) 0.817 3.019 ( 0.270 0.603 0.000) 0.661 3.019 ( -5.937 0.471 0.000) 5.956 3.090 ( -7.606 3.761 0.000) 8.485 3.220 ( -7.541 1.483 0.000) 7.685 3.255 ( -0.487 0.078 0.000) 0.493 3.288 ( -2.124 0.167 0.000) 2.131 3.417 ( -1.407 -0.989 0.000) 1.720 3.447 ( -1.356 -3.745 0.000) 3.982 3.481 ( 0.514 -3.556 0.000) 3.593 3.523 ( -8.873 5.369 0.000) 10.371 3.610 ( -6.277 1.105 0.000) 6.373 3.626 ( 0.293 5.761 0.000) 5.768 3.626 ( -1.342 0.842 0.000) 1.584 3.705 ( -2.526 1.834 0.000) 3.122 4.315 ( -1.456 0.689 0.000) 1.611 4.388 ( -3.258 0.208 0.000) 3.265 4.431 ( -3.658 5.082 0.000) 6.261 4.448 ( -1.478 -0.071 0.000) 1.479 4.529 ( -1.828 0.792 0.000) 1.993 4.608 ( -0.431 -0.793 0.000) 0.902 4.668 ( -3.655 -0.428 0.000) 3.680 4.699 ( -3.360 -0.909 0.000) 3.481 4.773 ( 1.086 1.059 0.000) 1.517 4.821 ( 2.840 2.701 0.000) 3.919 5.093 ( -0.396 -1.125 0.000) 1.193 5.126 ( 2.726 -1.275 0.000) 3.010 5.198 ( 0.939 -3.876 0.000) 3.988 5.206 ( 2.138 -4.265 0.000) 4.771 5.267 ( 1.498 -2.438 0.000) 2.862 5.282 ( -2.531 -2.179 0.000) 3.340 5.368 ( -4.327 -0.355 0.000) 4.342 5.379 ( -1.343 0.368 0.000) 1.393 5.477 ( -3.885 -0.129 0.000) 3.887 5.481 ( -2.572 0.226 0.000) 2.582 5.516 ( -2.217 -0.275 0.000) 2.234 5.603 ( 0.740 0.380 0.000) 0.832 5.776 ( 0.026 -0.731 0.000) 0.732 5.866 ( 1.866 0.284 0.000) 1.888 6.103 ( 0.289 -0.818 0.000) 0.867 6.159 ( 1.422 -0.182 0.000) 1.434 6.198 ( 2.809 -0.604 0.000) 2.873 6.264 ( -1.215 -1.497 0.000) 1.928 6.282 ( -1.480 0.856 0.000) 1.710 6.360 ( 0.431 -1.901 0.000) 1.949 ======================= Grid point 34 (26/98) ======================= q-point: (-0.38 0.15 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 170 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.175 ( -12.641 2.374 0.000) 12.862 1.250 ( -12.297 6.824 0.000) 14.064 1.432 ( -8.072 2.555 0.000) 8.466 1.598 ( -9.266 -1.565 0.000) 9.398 1.665 ( -6.221 1.828 0.000) 6.484 1.670 ( -6.288 -4.287 0.000) 7.610 1.823 ( -7.379 -7.003 0.000) 10.173 1.861 ( -2.871 -4.953 0.000) 5.725 1.949 ( 0.476 -1.103 0.000) 1.201 1.990 ( -2.714 -6.510 0.000) 7.053 2.049 ( -1.321 -0.694 0.000) 1.493 2.096 ( 0.405 -1.210 0.000) 1.276 2.225 ( -1.995 0.428 0.000) 2.040 2.258 ( -4.590 -2.451 0.000) 5.203 2.345 ( -8.447 3.725 0.000) 9.232 2.465 ( -9.113 2.369 0.000) 9.416 2.499 ( -0.180 2.900 0.000) 2.906 2.551 ( 1.224 -0.219 0.000) 1.243 2.714 ( -5.104 -1.723 0.000) 5.387 2.720 ( -5.357 -3.204 0.000) 6.242 2.757 ( -10.338 4.719 0.000) 11.365 2.899 ( -5.057 1.406 0.000) 5.249 2.906 ( -7.825 2.292 0.000) 8.154 2.976 ( -1.704 1.631 0.000) 2.359 2.996 ( -2.720 1.233 0.000) 2.986 3.104 ( -5.404 -1.616 0.000) 5.640 3.226 ( -5.705 -1.782 0.000) 5.977 3.233 ( -2.719 -3.582 0.000) 4.496 3.272 ( -11.909 4.670 0.000) 12.792 3.324 ( -6.148 3.055 0.000) 6.866 3.474 ( 1.781 -1.283 0.000) 2.195 3.560 ( 5.140 -0.898 0.000) 5.218 3.565 ( 2.004 1.597 0.000) 2.563 3.607 ( -0.070 0.560 0.000) 0.565 3.661 ( 3.486 2.848 0.000) 4.501 3.686 ( 0.981 0.547 0.000) 1.123 4.247 ( -4.701 2.194 0.000) 5.188 4.289 ( -5.529 2.309 0.000) 5.991 4.319 ( -5.228 3.556 0.000) 6.322 4.432 ( -1.530 -2.397 0.000) 2.844 4.507 ( -0.586 -0.472 0.000) 0.753 4.582 ( -4.932 -2.882 0.000) 5.712 4.637 ( 1.779 -1.311 0.000) 2.210 4.640 ( -3.205 -1.468 0.000) 3.525 4.774 ( 0.277 1.693 0.000) 1.716 4.855 ( 2.197 2.979 0.000) 3.701 5.105 ( 0.718 -0.567 0.000) 0.915 5.191 ( 2.195 -0.986 0.000) 2.407 5.229 ( 0.007 -2.471 0.000) 2.471 5.230 ( 0.651 -2.339 0.000) 2.428 5.290 ( -0.850 0.666 0.000) 1.080 5.307 ( 1.902 -1.375 0.000) 2.347 5.341 ( 2.500 -1.705 0.000) 3.026 5.395 ( -2.321 0.162 0.000) 2.327 5.407 ( 3.750 0.278 0.000) 3.760 5.445 ( -0.870 -0.662 0.000) 1.093 5.522 ( 1.595 -0.185 0.000) 1.606 5.627 ( 1.965 0.330 0.000) 1.992 5.782 ( -0.002 -1.156 0.000) 1.156 5.898 ( 1.561 1.032 0.000) 1.872 6.081 ( -2.769 -1.062 0.000) 2.966 6.169 ( -0.662 0.518 0.000) 0.841 6.232 ( -2.982 0.691 0.000) 3.061 6.234 ( 0.556 -0.914 0.000) 1.070 6.254 ( -1.092 -3.095 0.000) 3.282 6.381 ( 0.548 -2.463 0.000) 2.524 ======================= Grid point 35 (27/98) ======================= q-point: (-0.31 0.15 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 170 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.908 ( -11.562 9.438 0.000) 14.926 0.953 ( -13.518 9.896 0.000) 16.753 1.264 ( -7.061 5.875 0.000) 9.185 1.437 ( -8.502 -3.010 0.000) 9.019 1.519 ( -11.397 0.252 0.000) 11.400 1.520 ( -8.159 1.997 0.000) 8.400 1.655 ( -11.763 5.037 0.000) 12.796 1.817 ( -3.054 -3.062 0.000) 4.324 1.948 ( -5.213 -4.596 0.000) 6.949 1.958 ( -0.616 -0.680 0.000) 0.918 2.009 ( -3.839 -0.137 0.000) 3.842 2.035 ( -7.795 -1.976 0.000) 8.042 2.152 ( -6.354 1.902 0.000) 6.633 2.182 ( -9.117 0.901 0.000) 9.161 2.206 ( -0.465 0.172 0.000) 0.496 2.238 ( -4.147 0.870 0.000) 4.238 2.469 ( -1.532 1.692 0.000) 2.283 2.539 ( -3.762 2.709 0.000) 4.636 2.579 ( -3.000 1.093 0.000) 3.193 2.647 ( -3.980 2.619 0.000) 4.765 2.660 ( -2.459 -2.473 0.000) 3.488 2.789 ( -3.783 0.922 0.000) 3.894 2.806 ( -3.094 1.458 0.000) 3.420 2.910 ( -4.839 2.115 0.000) 5.281 2.915 ( -4.374 -0.963 0.000) 4.479 2.990 ( -7.892 -0.288 0.000) 7.898 3.046 ( -8.235 1.779 0.000) 8.425 3.102 ( -5.380 -0.766 0.000) 5.434 3.194 ( -3.543 -5.165 0.000) 6.264 3.255 ( -2.513 -2.145 0.000) 3.304 3.508 ( 1.535 0.740 0.000) 1.705 3.572 ( -0.293 1.577 0.000) 1.604 3.608 ( 0.850 0.509 0.000) 0.991 3.663 ( 4.602 0.700 0.000) 4.655 3.699 ( 3.173 3.547 0.000) 4.759 3.754 ( 4.286 -1.232 0.000) 4.459 4.129 ( -5.773 2.330 0.000) 6.225 4.172 ( -5.134 2.137 0.000) 5.561 4.188 ( -7.003 1.906 0.000) 7.258 4.394 ( -5.079 -5.436 0.000) 7.439 4.499 ( -5.278 -3.715 0.000) 6.454 4.504 ( -0.362 -1.561 0.000) 1.603 4.607 ( -1.202 -2.360 0.000) 2.648 4.691 ( 2.335 1.561 0.000) 2.809 4.801 ( 4.470 -0.272 0.000) 4.478 4.872 ( 1.320 2.906 0.000) 3.192 5.122 ( 0.966 -0.322 0.000) 1.018 5.188 ( -1.671 -1.770 0.000) 2.434 5.252 ( 0.885 -0.738 0.000) 1.152 5.268 ( 1.627 -0.602 0.000) 1.735 5.281 ( 0.473 2.740 0.000) 2.780 5.317 ( -0.470 0.256 0.000) 0.535 5.390 ( 1.560 0.152 0.000) 1.567 5.410 ( 3.849 1.114 0.000) 4.007 5.470 ( 2.623 -1.731 0.000) 3.142 5.522 ( 7.664 1.273 0.000) 7.769 5.568 ( 3.332 1.338 0.000) 3.591 5.673 ( 2.814 0.044 0.000) 2.814 5.786 ( -0.371 -1.267 0.000) 1.320 5.901 ( -0.717 1.871 0.000) 2.003 6.018 ( -4.101 -1.040 0.000) 4.231 6.136 ( -2.496 -0.469 0.000) 2.539 6.176 ( -2.156 0.555 0.000) 2.226 6.232 ( -1.203 -0.794 0.000) 1.441 6.245 ( -2.217 -4.051 0.000) 4.618 6.410 ( 0.847 -3.346 0.000) 3.452 ======================= Grid point 36 (28/98) ======================= q-point: (-0.23 0.15 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 170 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.643 ( -8.380 16.285 0.000) 18.315 0.646 ( -10.933 14.503 0.000) 18.163 1.097 ( -7.078 5.656 0.000) 9.061 1.165 ( -18.647 18.024 0.000) 25.934 1.273 ( -9.118 9.867 0.000) 13.435 1.349 ( -4.040 -2.094 0.000) 4.550 1.498 ( -0.818 5.813 0.000) 5.870 1.796 ( -1.008 -2.898 0.000) 3.069 1.847 ( -7.386 0.942 0.000) 7.446 1.847 ( -7.846 -1.778 0.000) 8.045 1.879 ( -7.295 -1.166 0.000) 7.387 1.983 ( -8.330 -2.200 0.000) 8.615 1.986 ( 0.458 0.008 0.000) 0.458 2.094 ( -0.601 0.091 0.000) 0.608 2.234 ( 2.490 -0.375 0.000) 2.518 2.240 ( 2.160 3.294 0.000) 3.939 2.431 ( -1.631 -0.090 0.000) 1.633 2.450 ( -3.520 0.826 0.000) 3.615 2.548 ( -0.579 2.099 0.000) 2.178 2.576 ( -0.520 2.329 0.000) 2.386 2.645 ( -0.519 -1.724 0.000) 1.800 2.714 ( -4.492 -0.036 0.000) 4.492 2.757 ( -9.540 0.075 0.000) 9.541 2.782 ( 0.070 0.719 0.000) 0.722 2.822 ( -1.982 3.329 0.000) 3.875 2.888 ( -3.328 -0.642 0.000) 3.390 2.939 ( -2.836 -0.162 0.000) 2.840 3.058 ( -1.556 -3.679 0.000) 3.995 3.165 ( -2.242 -5.412 0.000) 5.858 3.225 ( -1.884 -2.988 0.000) 3.533 3.524 ( 0.841 1.733 0.000) 1.926 3.557 ( 0.369 3.157 0.000) 3.179 3.623 ( 1.118 1.368 0.000) 1.767 3.726 ( 2.514 1.003 0.000) 2.707 3.748 ( 4.364 3.337 0.000) 5.494 3.838 ( 3.398 -2.208 0.000) 4.052 4.020 ( -4.104 1.376 0.000) 4.328 4.043 ( -6.494 1.328 0.000) 6.628 4.081 ( -3.206 1.062 0.000) 3.378 4.274 ( -12.597 -9.277 0.000) 15.644 4.436 ( -3.016 -3.763 0.000) 4.822 4.512 ( -0.084 -3.023 0.000) 3.024 4.614 ( 0.114 -2.730 0.000) 2.732 4.695 ( 0.557 4.635 0.000) 4.668 4.873 ( 0.445 2.718 0.000) 2.754 4.944 ( 8.046 -2.294 0.000) 8.367 5.155 ( 3.200 0.550 0.000) 3.247 5.179 ( -0.439 -2.351 0.000) 2.392 5.261 ( 0.087 0.026 0.000) 0.090 5.266 ( -0.064 2.053 0.000) 2.054 5.298 ( 1.390 1.704 0.000) 2.199 5.318 ( 1.035 1.373 0.000) 1.719 5.415 ( 1.178 1.115 0.000) 1.621 5.460 ( 2.548 4.208 0.000) 4.919 5.536 ( 2.667 -1.598 0.000) 3.109 5.627 ( 5.039 3.909 0.000) 6.377 5.675 ( 8.227 0.737 0.000) 8.260 5.724 ( 2.101 -0.117 0.000) 2.104 5.780 ( -0.825 -0.931 0.000) 1.244 5.855 ( -2.458 1.634 0.000) 2.952 5.943 ( -4.356 -1.259 0.000) 4.535 6.075 ( -5.795 -3.025 0.000) 6.537 6.148 ( -0.539 1.078 0.000) 1.205 6.200 ( -2.233 -0.443 0.000) 2.276 6.205 ( -4.154 -3.353 0.000) 5.338 6.450 ( 1.044 -4.317 0.000) 4.441 ======================= Grid point 37 (29/98) ======================= q-point: (-0.15 0.15 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 98 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.428 ( -0.000 19.002 0.000) 19.002 0.452 ( -0.000 19.257 0.000) 19.257 0.786 ( -0.000 34.122 0.000) 34.122 0.977 ( -0.000 5.216 0.000) 5.216 1.122 ( -0.000 12.953 0.000) 12.953 1.336 ( 0.000 -5.588 0.000) 5.588 1.481 ( -0.000 4.260 0.000) 4.260 1.737 ( -0.000 3.121 0.000) 3.121 1.762 ( -0.000 1.036 0.000) 1.036 1.804 ( 0.000 -2.393 0.000) 2.393 1.807 ( 0.000 -0.681 0.000) 0.681 1.917 ( 0.000 -2.745 0.000) 2.745 1.992 ( 0.000 -0.110 0.000) 0.110 2.091 ( 0.000 -0.146 0.000) 0.146 2.259 ( -0.000 1.397 0.000) 1.397 2.269 ( 0.000 -0.148 0.000) 0.148 2.410 ( 0.000 -0.126 0.000) 0.126 2.417 ( 0.000 -0.740 0.000) 0.740 2.528 ( -0.000 4.430 0.000) 4.430 2.553 ( -0.000 1.765 0.000) 1.765 2.651 ( 0.000 -1.289 0.000) 1.289 2.656 ( 0.000 -0.170 0.000) 0.170 2.661 ( 0.000 -2.232 0.000) 2.232 2.790 ( -0.000 3.345 0.000) 3.345 2.808 ( -0.000 1.815 0.000) 1.815 2.845 ( 0.000 -0.685 0.000) 0.685 2.917 ( 0.000 -1.393 0.000) 1.393 3.063 ( 0.000 -3.217 0.000) 3.217 3.171 ( 0.000 -4.679 0.000) 4.679 3.226 ( 0.000 -4.141 0.000) 4.141 3.522 ( -0.000 1.627 0.000) 1.627 3.542 ( -0.000 6.113 0.000) 6.113 3.626 ( -0.000 2.346 0.000) 2.346 3.749 ( -0.000 0.156 0.000) 0.156 3.839 ( 0.000 -5.182 0.000) 5.182 3.952 ( 0.000 -3.017 0.000) 3.017 3.965 ( -0.000 1.089 0.000) 1.089 3.972 ( -0.000 0.968 0.000) 0.968 4.011 ( -0.000 0.981 0.000) 0.981 4.047 ( -0.000 0.679 0.000) 0.679 4.429 ( 0.000 -4.233 0.000) 4.233 4.532 ( 0.000 -4.040 0.000) 4.040 4.630 ( 0.000 -2.191 0.000) 2.191 4.673 ( -0.000 5.395 0.000) 5.395 4.863 ( -0.000 2.360 0.000) 2.360 5.046 ( 0.000 -3.451 0.000) 3.451 5.188 ( 0.000 -1.606 0.000) 1.606 5.227 ( 0.000 -1.895 0.000) 1.895 5.258 ( -0.000 0.531 0.000) 0.531 5.269 ( 0.000 -0.987 0.000) 0.987 5.300 ( -0.000 2.655 0.000) 2.655 5.335 ( -0.000 1.471 0.000) 1.471 5.421 ( -0.000 1.538 0.000) 1.538 5.458 ( -0.000 5.219 0.000) 5.219 5.572 ( 0.000 -1.131 0.000) 1.131 5.745 ( 0.000 -0.246 0.000) 0.246 5.751 ( 0.000 -0.559 0.000) 0.559 5.772 ( 0.000 -0.476 0.000) 0.476 5.792 ( -0.000 0.723 0.000) 0.723 5.821 ( -0.000 0.870 0.000) 0.870 5.882 ( 0.000 -1.847 0.000) 1.847 5.901 ( -0.000 1.831 0.000) 1.831 6.136 ( -0.000 1.309 0.000) 1.309 6.157 ( -0.000 0.132 0.000) 0.132 6.176 ( -0.000 0.141 0.000) 0.141 6.487 ( 0.000 -4.390 0.000) 4.390 ======================= Grid point 42 (30/98) ======================= q-point: ( 0.23 0.23 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 98 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.726 ( 3.994 -0.000 0.000) 3.994 1.762 ( 2.001 -0.000 0.000) 2.001 1.828 ( -4.393 0.000 0.000) 4.393 1.840 ( -3.263 0.000 0.000) 3.263 1.870 ( -2.011 0.000 0.000) 2.011 1.870 ( -6.428 0.000 0.000) 6.428 1.940 ( 2.280 -0.000 0.000) 2.280 1.979 ( -1.026 0.000 0.000) 1.026 2.053 ( -1.747 0.000 0.000) 1.747 2.072 ( -0.771 0.000 0.000) 0.771 2.181 ( 3.410 -0.000 0.000) 3.410 2.259 ( -0.039 0.000 0.000) 0.039 2.274 ( -0.484 0.000 0.000) 0.484 2.348 ( -1.091 0.000 0.000) 1.091 2.471 ( 2.675 -0.000 0.000) 2.675 2.477 ( 2.481 -0.000 0.000) 2.481 2.483 ( -2.244 0.000 0.000) 2.244 2.534 ( -1.009 0.000 0.000) 1.009 2.778 ( -3.370 0.000 0.000) 3.370 2.803 ( -3.797 0.000 0.000) 3.797 2.824 ( -4.513 0.000 0.000) 4.513 2.934 ( -1.707 0.000 0.000) 1.707 2.970 ( -1.595 0.000 0.000) 1.595 3.036 ( 2.010 -0.000 0.000) 2.010 3.173 ( 2.245 -0.000 0.000) 2.245 3.196 ( 0.821 -0.000 0.000) 0.821 3.349 ( 4.428 -0.000 0.000) 4.428 3.366 ( -1.903 0.000 0.000) 1.903 3.470 ( 6.188 -0.000 0.000) 6.188 3.525 ( 3.704 -0.000 0.000) 3.704 3.593 ( 0.602 -0.000 0.000) 0.602 3.619 ( 1.246 -0.000 0.000) 1.246 3.701 ( 0.947 -0.000 0.000) 0.947 3.718 ( -1.062 0.000 0.000) 1.062 3.905 ( 4.484 -0.000 0.000) 4.484 3.918 ( 7.080 -0.000 0.000) 7.080 4.294 ( -1.000 0.000 0.000) 1.000 4.395 ( 4.188 -0.000 0.000) 4.188 4.410 ( -1.439 0.000 0.000) 1.439 4.472 ( 2.311 -0.000 0.000) 2.311 4.648 ( 1.119 -0.000 0.000) 1.119 4.653 ( 3.898 -0.000 0.000) 3.898 4.699 ( -1.266 0.000 0.000) 1.266 4.714 ( 0.380 -0.000 0.000) 0.380 4.755 ( -1.206 0.000 0.000) 1.206 4.788 ( 1.863 -0.000 0.000) 1.863 5.121 ( -1.540 0.000 0.000) 1.540 5.139 ( -3.328 0.000 0.000) 3.328 5.241 ( -2.477 0.000 0.000) 2.477 5.242 ( -2.772 0.000 0.000) 2.772 5.306 ( 1.518 -0.000 0.000) 1.518 5.346 ( -2.933 0.000 0.000) 2.933 5.497 ( 1.842 -0.000 0.000) 1.842 5.511 ( 1.694 -0.000 0.000) 1.694 5.541 ( -0.671 0.000 0.000) 0.671 5.560 ( 1.213 -0.000 0.000) 1.213 5.671 ( 6.538 -0.000 0.000) 6.538 5.735 ( 3.408 -0.000 0.000) 3.408 5.795 ( -0.712 0.000 0.000) 0.712 5.811 ( -0.201 0.000 0.000) 0.201 5.976 ( -2.943 0.000 0.000) 2.943 6.016 ( -5.600 0.000 0.000) 5.600 6.154 ( -1.355 0.000 0.000) 1.355 6.276 ( -0.308 0.000 0.000) 0.308 6.286 ( -0.656 0.000 0.000) 0.656 6.363 ( -1.025 0.000 0.000) 1.025 ======================= Grid point 43 (31/98) ======================= q-point: (-0.69 0.23 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 170 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.707 ( -8.862 1.224 0.000) 8.946 1.735 ( -4.195 0.974 0.000) 4.307 1.758 ( -4.115 -0.628 0.000) 4.162 1.764 ( -3.760 -1.887 0.000) 4.207 1.778 ( 0.406 -1.042 0.000) 1.118 1.834 ( 0.584 -0.379 0.000) 0.697 1.929 ( -4.149 -0.065 0.000) 4.149 1.970 ( 0.228 -0.175 0.000) 0.288 2.005 ( -2.844 0.279 0.000) 2.858 2.067 ( -0.018 -0.069 0.000) 0.072 2.223 ( -1.390 0.726 0.000) 1.568 2.243 ( -3.332 -0.655 0.000) 3.396 2.252 ( -0.206 0.277 0.000) 0.345 2.331 ( 0.385 0.164 0.000) 0.419 2.460 ( -1.627 0.923 0.000) 1.871 2.479 ( -3.313 -2.055 0.000) 3.899 2.524 ( 2.303 0.370 0.000) 2.332 2.528 ( 2.699 0.284 0.000) 2.714 2.750 ( -1.602 -0.733 0.000) 1.762 2.757 ( 1.520 -0.046 0.000) 1.521 2.781 ( 1.589 -0.636 0.000) 1.712 2.937 ( 2.095 0.336 0.000) 2.122 2.968 ( 0.674 0.134 0.000) 0.687 3.074 ( 1.165 -0.391 0.000) 1.229 3.204 ( 1.140 0.082 0.000) 1.143 3.217 ( 1.514 0.029 0.000) 1.515 3.322 ( -2.191 -0.121 0.000) 2.194 3.424 ( 2.425 0.261 0.000) 2.439 3.516 ( -2.074 0.721 0.000) 2.196 3.582 ( 3.439 1.954 0.000) 3.955 3.604 ( -3.662 -0.000 0.000) 3.662 3.626 ( 2.814 -0.417 0.000) 2.845 3.645 ( -6.408 -0.419 0.000) 6.421 3.687 ( -1.375 0.018 0.000) 1.375 3.911 ( -3.700 -0.426 0.000) 3.725 3.973 ( -1.547 -0.026 0.000) 1.547 4.291 ( 0.656 -0.272 0.000) 0.710 4.393 ( -0.344 -0.373 0.000) 0.507 4.476 ( 4.034 0.481 0.000) 4.062 4.500 ( 0.345 -0.052 0.000) 0.349 4.656 ( -2.324 0.382 0.000) 2.355 4.678 ( 2.118 1.852 0.000) 2.813 4.712 ( -0.235 1.024 0.000) 1.051 4.734 ( 3.746 0.530 0.000) 3.783 4.740 ( -0.837 -2.271 0.000) 2.421 4.802 ( -0.909 -0.376 0.000) 0.983 5.070 ( -2.986 -0.341 0.000) 3.005 5.084 ( -2.035 -0.185 0.000) 2.044 5.186 ( -2.879 -0.238 0.000) 2.889 5.211 ( -0.612 -0.385 0.000) 0.723 5.263 ( -5.481 -0.215 0.000) 5.485 5.330 ( 0.341 -0.192 0.000) 0.391 5.506 ( -0.598 0.439 0.000) 0.742 5.511 ( -1.741 -0.069 0.000) 1.742 5.529 ( -1.004 -0.463 0.000) 1.106 5.566 ( -0.691 0.081 0.000) 0.695 5.693 ( -5.981 0.126 0.000) 5.982 5.736 ( -2.018 -0.019 0.000) 2.018 5.781 ( -0.602 0.154 0.000) 0.621 5.815 ( 0.562 -0.171 0.000) 0.588 5.962 ( 1.941 0.010 0.000) 1.941 6.011 ( 5.202 -0.093 0.000) 5.203 6.135 ( -0.568 -0.090 0.000) 0.575 6.277 ( 0.562 0.001 0.000) 0.562 6.278 ( -0.229 -0.018 0.000) 0.229 6.349 ( -0.468 -0.051 0.000) 0.470 ======================= Grid point 44 (32/98) ======================= q-point: (-0.62 0.23 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 170 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.538 ( -8.939 -2.678 0.000) 9.332 1.640 ( -5.176 1.318 0.000) 5.341 1.682 ( -4.314 -2.517 0.000) 4.994 1.684 ( -4.776 -2.341 0.000) 5.319 1.798 ( -0.343 -0.773 0.000) 0.846 1.831 ( -5.320 -1.263 0.000) 5.467 1.879 ( 2.338 0.599 0.000) 2.414 1.950 ( -1.974 -0.335 0.000) 2.003 1.954 ( -1.758 -0.857 0.000) 1.955 2.066 ( -0.213 -0.206 0.000) 0.297 2.098 ( -10.465 -1.083 0.000) 10.521 2.142 ( -6.695 0.085 0.000) 6.696 2.256 ( 0.569 0.356 0.000) 0.671 2.339 ( -0.815 0.190 0.000) 0.837 2.431 ( 0.894 -1.809 0.000) 2.018 2.493 ( 1.788 -1.134 0.000) 2.117 2.545 ( -0.052 0.942 0.000) 0.944 2.553 ( 0.687 2.031 0.000) 2.144 2.758 ( 1.018 -2.302 0.000) 2.517 2.816 ( 3.287 0.667 0.000) 3.354 2.857 ( 4.564 -0.523 0.000) 4.593 2.982 ( 0.703 -0.167 0.000) 0.722 2.992 ( 3.084 0.439 0.000) 3.115 3.075 ( -1.370 -0.369 0.000) 1.419 3.213 ( -0.293 1.372 0.000) 1.403 3.255 ( 2.427 0.765 0.000) 2.545 3.299 ( -0.034 -0.240 0.000) 0.242 3.398 ( -5.599 1.977 0.000) 5.938 3.439 ( -4.242 -1.375 0.000) 4.459 3.489 ( -7.851 -1.368 0.000) 7.969 3.499 ( -8.014 -2.355 0.000) 8.353 3.629 ( 1.822 1.698 0.000) 2.491 3.663 ( -1.217 0.344 0.000) 1.265 3.666 ( 1.932 3.307 0.000) 3.830 3.792 ( -8.125 -0.431 0.000) 8.137 3.872 ( -7.972 1.387 0.000) 8.092 4.314 ( 1.141 -0.293 0.000) 1.178 4.395 ( -0.214 -1.046 0.000) 1.068 4.486 ( -1.497 -0.043 0.000) 1.498 4.523 ( 0.756 1.880 0.000) 2.026 4.603 ( -2.307 1.783 0.000) 2.916 4.659 ( -1.837 3.086 0.000) 3.591 4.719 ( -2.402 -1.424 0.000) 2.793 4.745 ( 2.776 0.470 0.000) 2.816 4.754 ( -3.916 -0.696 0.000) 3.978 4.797 ( 3.392 1.369 0.000) 3.657 5.061 ( 1.573 -1.927 0.000) 2.488 5.071 ( 0.633 -1.170 0.000) 1.330 5.146 ( -1.445 -1.507 0.000) 2.088 5.158 ( -5.074 -1.459 0.000) 5.280 5.215 ( 0.318 -1.441 0.000) 1.476 5.313 ( -2.373 -0.918 0.000) 2.544 5.451 ( -4.262 -0.124 0.000) 4.263 5.461 ( -4.401 1.211 0.000) 4.565 5.499 ( -1.809 -1.235 0.000) 2.190 5.535 ( -2.266 0.224 0.000) 2.277 5.606 ( -1.952 0.526 0.000) 2.022 5.633 ( -6.565 -0.117 0.000) 6.566 5.772 ( -0.279 -0.056 0.000) 0.284 5.835 ( 1.382 -0.126 0.000) 1.388 6.046 ( 4.605 -0.174 0.000) 4.609 6.115 ( 4.887 -0.097 0.000) 4.888 6.134 ( 0.309 -0.553 0.000) 0.633 6.272 ( -0.633 -0.211 0.000) 0.667 6.295 ( 1.057 0.235 0.000) 1.083 6.341 ( -0.662 -0.554 0.000) 0.863 ======================= Grid point 45 (33/98) ======================= q-point: (-0.54 0.23 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 170 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.386 ( -8.507 -1.154 0.000) 8.585 1.521 ( -6.334 3.741 0.000) 7.356 1.591 ( -6.614 -0.392 0.000) 6.625 1.627 ( -4.037 -6.713 0.000) 7.834 1.707 ( -5.896 -3.473 0.000) 6.843 1.818 ( -1.528 -3.664 0.000) 3.970 1.835 ( -4.307 4.859 0.000) 6.493 1.891 ( -10.659 -3.847 0.000) 11.332 1.925 ( -0.436 -0.938 0.000) 1.035 2.004 ( -0.715 -1.480 0.000) 1.643 2.015 ( -2.248 -3.007 0.000) 3.754 2.060 ( -0.603 -0.248 0.000) 0.652 2.257 ( -0.503 0.341 0.000) 0.608 2.300 ( -3.466 -1.582 0.000) 3.809 2.481 ( 2.858 -0.744 0.000) 2.954 2.510 ( -2.980 2.266 0.000) 3.744 2.539 ( 1.906 -0.722 0.000) 2.038 2.544 ( -0.002 2.554 0.000) 2.554 2.762 ( -3.248 -2.980 0.000) 4.408 2.803 ( -4.935 0.294 0.000) 4.943 2.916 ( -0.339 -0.005 0.000) 0.339 2.995 ( 0.873 0.314 0.000) 0.928 3.022 ( -4.459 0.040 0.000) 4.459 3.024 ( 0.011 0.345 0.000) 0.345 3.133 ( -7.102 4.106 0.000) 8.204 3.231 ( -8.413 0.651 0.000) 8.438 3.249 ( -3.673 -1.242 0.000) 3.877 3.291 ( -4.659 0.300 0.000) 4.669 3.408 ( 2.432 -0.660 0.000) 2.520 3.412 ( 0.123 -2.408 0.000) 2.411 3.443 ( 1.861 -3.142 0.000) 3.651 3.584 ( -7.255 5.421 0.000) 9.057 3.619 ( -7.529 0.649 0.000) 7.557 3.635 ( -1.302 0.702 0.000) 1.479 3.678 ( -0.199 3.322 0.000) 3.328 3.718 ( -3.943 0.736 0.000) 4.011 4.320 ( -0.907 0.334 0.000) 0.966 4.382 ( -2.152 -0.975 0.000) 2.363 4.451 ( -2.034 0.392 0.000) 2.071 4.478 ( -3.547 3.090 0.000) 4.704 4.546 ( -2.407 2.607 0.000) 3.548 4.602 ( -2.833 -0.260 0.000) 2.844 4.663 ( -3.509 -0.415 0.000) 3.533 4.683 ( -4.029 -1.920 0.000) 4.463 4.786 ( 1.500 1.324 0.000) 2.000 4.850 ( 3.123 2.377 0.000) 3.925 5.085 ( 0.012 -0.286 0.000) 0.286 5.116 ( 3.146 -0.743 0.000) 3.233 5.159 ( 1.440 -2.990 0.000) 3.319 5.161 ( 3.456 -3.707 0.000) 5.068 5.240 ( 1.521 -2.352 0.000) 2.801 5.259 ( -3.026 -1.869 0.000) 3.557 5.365 ( -4.432 -0.244 0.000) 4.439 5.385 ( -1.620 0.621 0.000) 1.735 5.474 ( -2.661 -0.298 0.000) 2.678 5.484 ( -2.749 0.222 0.000) 2.758 5.513 ( -3.345 -0.169 0.000) 3.349 5.607 ( 0.830 0.259 0.000) 0.870 5.770 ( -0.149 -0.420 0.000) 0.446 5.868 ( 2.105 0.136 0.000) 2.110 6.094 ( -0.087 -0.668 0.000) 0.674 6.156 ( 1.872 -0.332 0.000) 1.901 6.193 ( 2.855 -0.330 0.000) 2.874 6.251 ( -1.851 -0.861 0.000) 2.042 6.292 ( -1.441 1.005 0.000) 1.757 6.340 ( 0.170 -1.739 0.000) 1.748 ======================= Grid point 46 (34/98) ======================= q-point: (-0.46 0.23 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 170 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.218 ( -7.726 5.528 0.000) 9.500 1.326 ( -10.691 7.054 0.000) 12.808 1.468 ( -4.964 3.969 0.000) 6.356 1.549 ( -8.829 -5.458 0.000) 10.380 1.619 ( -6.371 -4.942 0.000) 8.063 1.717 ( -7.859 3.081 0.000) 8.441 1.742 ( -4.084 -5.169 0.000) 6.588 1.799 ( -2.858 -6.131 0.000) 6.764 1.929 ( -3.756 -4.413 0.000) 5.795 1.939 ( 1.015 -0.654 0.000) 1.207 2.045 ( -1.105 -0.116 0.000) 1.111 2.083 ( 1.398 -1.333 0.000) 1.931 2.229 ( -2.092 0.210 0.000) 2.103 2.229 ( -4.383 -2.856 0.000) 5.231 2.383 ( -8.888 3.263 0.000) 9.468 2.489 ( -8.179 2.092 0.000) 8.442 2.529 ( -0.293 2.570 0.000) 2.587 2.547 ( 1.493 -0.449 0.000) 1.559 2.684 ( -5.192 -3.251 0.000) 6.126 2.686 ( -4.572 -3.035 0.000) 5.488 2.806 ( -9.045 3.681 0.000) 9.765 2.915 ( -5.298 1.432 0.000) 5.488 2.930 ( -8.309 1.951 0.000) 8.535 2.992 ( -1.688 1.307 0.000) 2.135 3.013 ( -2.715 2.008 0.000) 3.377 3.093 ( -5.972 -0.531 0.000) 5.995 3.189 ( -4.042 -4.270 0.000) 5.880 3.204 ( -4.495 -2.063 0.000) 4.946 3.327 ( -13.462 4.953 0.000) 14.344 3.365 ( -7.218 4.210 0.000) 8.356 3.462 ( 3.264 -0.821 0.000) 3.366 3.550 ( 6.279 -0.939 0.000) 6.349 3.577 ( 2.380 0.831 0.000) 2.521 3.613 ( -0.396 0.581 0.000) 0.703 3.677 ( 0.403 -1.078 0.000) 1.151 3.697 ( 2.011 2.228 0.000) 3.001 4.266 ( -4.190 1.417 0.000) 4.423 4.310 ( -5.023 1.375 0.000) 5.208 4.363 ( -5.988 4.253 0.000) 7.345 4.410 ( -2.766 -1.349 0.000) 3.078 4.503 ( -1.345 -0.135 0.000) 1.352 4.548 ( -4.870 -3.264 0.000) 5.863 4.618 ( -3.928 -2.570 0.000) 4.694 4.625 ( 0.777 -0.858 0.000) 1.157 4.791 ( 0.231 1.316 0.000) 1.336 4.886 ( 2.117 2.683 0.000) 3.417 5.104 ( 1.150 0.573 0.000) 1.285 5.183 ( 2.233 -0.405 0.000) 2.270 5.201 ( 0.541 -2.754 0.000) 2.806 5.208 ( 1.766 -1.782 0.000) 2.509 5.293 ( 3.395 -1.192 0.000) 3.598 5.296 ( 1.331 0.186 0.000) 1.344 5.320 ( 2.294 -1.846 0.000) 2.944 5.398 ( -2.552 0.278 0.000) 2.567 5.410 ( 4.100 0.348 0.000) 4.114 5.439 ( -1.530 -0.412 0.000) 1.584 5.519 ( 1.984 -0.459 0.000) 2.036 5.632 ( 2.038 0.514 0.000) 2.102 5.771 ( -0.112 -0.842 0.000) 0.849 5.908 ( 2.005 0.768 0.000) 2.147 6.068 ( -2.874 -1.162 0.000) 3.100 6.174 ( -0.783 0.434 0.000) 0.895 6.219 ( -1.294 -2.065 0.000) 2.437 6.231 ( 0.239 -0.957 0.000) 0.986 6.240 ( -3.148 0.694 0.000) 3.223 6.356 ( 0.252 -2.145 0.000) 2.160 ======================= Grid point 47 (35/98) ======================= q-point: (-0.38 0.23 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 170 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.032 ( -6.650 12.781 0.000) 14.408 1.064 ( -11.237 10.235 0.000) 15.200 1.338 ( -5.860 7.549 0.000) 9.556 1.392 ( -9.100 -4.181 0.000) 10.014 1.509 ( -7.189 -2.159 0.000) 7.506 1.549 ( -7.884 1.680 0.000) 8.061 1.696 ( -3.099 3.015 0.000) 4.323 1.775 ( -2.683 -4.659 0.000) 5.376 1.889 ( -4.266 -5.764 0.000) 7.171 1.957 ( 0.211 0.500 0.000) 0.543 2.009 ( -3.007 0.274 0.000) 3.019 2.017 ( -7.816 -1.621 0.000) 7.983 2.172 ( -7.164 1.629 0.000) 7.347 2.199 ( -10.335 1.924 0.000) 10.513 2.205 ( -1.999 -0.441 0.000) 2.047 2.241 ( -2.738 -0.237 0.000) 2.748 2.492 ( -2.314 2.401 0.000) 3.334 2.561 ( -1.638 1.064 0.000) 1.953 2.606 ( -6.018 4.055 0.000) 7.257 2.630 ( -2.054 -2.828 0.000) 3.495 2.660 ( -2.115 0.035 0.000) 2.115 2.798 ( -4.671 0.660 0.000) 4.717 2.821 ( -3.259 1.188 0.000) 3.469 2.912 ( -6.299 0.473 0.000) 6.317 2.934 ( -4.126 2.253 0.000) 4.701 2.988 ( -5.269 -0.216 0.000) 5.273 3.064 ( -9.723 1.558 0.000) 9.847 3.105 ( -7.424 1.013 0.000) 7.492 3.137 ( -4.026 -5.214 0.000) 6.587 3.237 ( -3.674 -0.974 0.000) 3.801 3.519 ( 2.570 1.235 0.000) 2.852 3.577 ( -1.385 -0.402 0.000) 1.442 3.612 ( 0.862 0.199 0.000) 0.885 3.669 ( 5.206 0.370 0.000) 5.219 3.716 ( 2.733 -1.018 0.000) 2.917 3.755 ( 4.135 1.943 0.000) 4.569 4.154 ( -6.040 2.155 0.000) 6.413 4.195 ( -5.490 2.127 0.000) 5.888 4.214 ( -7.452 2.823 0.000) 7.969 4.339 ( -6.714 -4.417 0.000) 8.036 4.463 ( -5.110 -2.983 0.000) 5.917 4.488 ( -0.883 -1.399 0.000) 1.655 4.575 ( -1.969 -3.334 0.000) 3.872 4.697 ( 4.740 -0.489 0.000) 4.765 4.802 ( 2.393 0.466 0.000) 2.438 4.903 ( 1.239 2.680 0.000) 2.952 5.120 ( 1.068 0.007 0.000) 1.068 5.171 ( -2.028 -1.202 0.000) 2.357 5.242 ( 1.731 -1.117 0.000) 2.061 5.261 ( 2.475 -0.656 0.000) 2.561 5.313 ( 1.079 3.071 0.000) 3.255 5.322 ( 0.112 0.840 0.000) 0.847 5.389 ( 1.735 -0.393 0.000) 1.779 5.414 ( 5.179 -0.481 0.000) 5.202 5.455 ( 2.824 -0.964 0.000) 2.984 5.536 ( 8.045 1.272 0.000) 8.145 5.580 ( 4.274 0.722 0.000) 4.335 5.678 ( 2.975 0.787 0.000) 3.077 5.773 ( -0.247 -1.021 0.000) 1.050 5.920 ( -0.467 1.646 0.000) 1.711 6.004 ( -4.439 -1.577 0.000) 4.710 6.128 ( -3.659 -1.057 0.000) 3.808 6.182 ( -2.043 0.553 0.000) 2.116 6.208 ( -1.525 -2.341 0.000) 2.794 6.226 ( -1.157 -0.552 0.000) 1.282 6.374 ( 0.260 -3.090 0.000) 3.101 ======================= Grid point 48 (36/98) ======================= q-point: (-0.31 0.23 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 170 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.806 ( -8.014 14.619 0.000) 16.672 0.821 ( -6.929 15.728 0.000) 17.186 1.162 ( -7.789 5.942 0.000) 9.797 1.265 ( -5.598 0.255 0.000) 5.604 1.379 ( -3.900 9.183 0.000) 9.977 1.397 ( -5.132 10.088 0.000) 11.318 1.587 ( -2.531 10.507 0.000) 10.808 1.759 ( -1.218 -3.750 0.000) 3.943 1.813 ( -6.101 -3.863 0.000) 7.221 1.859 ( -7.150 1.207 0.000) 7.251 1.870 ( -6.843 -0.529 0.000) 6.863 1.959 ( -9.445 -2.216 0.000) 9.702 1.991 ( 0.770 0.894 0.000) 1.180 2.095 ( -0.855 0.069 0.000) 0.858 2.225 ( 2.150 -1.341 0.000) 2.534 2.282 ( 3.210 4.101 0.000) 5.208 2.432 ( -2.554 0.236 0.000) 2.565 2.461 ( -4.772 1.148 0.000) 4.908 2.548 ( -0.465 -0.401 0.000) 0.614 2.624 ( -0.534 4.447 0.000) 4.479 2.625 ( -0.160 -1.884 0.000) 1.891 2.713 ( -4.563 -0.089 0.000) 4.564 2.751 ( -9.516 -0.683 0.000) 9.541 2.794 ( 0.580 1.041 0.000) 1.192 2.857 ( -1.872 2.952 0.000) 3.495 2.884 ( -4.073 -0.025 0.000) 4.073 2.939 ( -4.084 0.088 0.000) 4.085 3.016 ( -2.314 -3.718 0.000) 4.379 3.104 ( -2.316 -5.714 0.000) 6.165 3.198 ( -1.775 -1.976 0.000) 2.656 3.548 ( 1.554 2.509 0.000) 2.952 3.566 ( 0.100 -1.382 0.000) 1.386 3.632 ( 1.216 0.353 0.000) 1.266 3.741 ( 2.768 1.589 0.000) 3.191 3.769 ( 2.156 0.038 0.000) 2.156 3.822 ( 3.800 -0.051 0.000) 3.801 4.037 ( -4.484 1.640 0.000) 4.775 4.060 ( -6.707 1.714 0.000) 6.922 4.094 ( -3.801 1.249 0.000) 4.001 4.195 ( -10.971 -5.301 0.000) 12.185 4.401 ( -2.847 -2.792 0.000) 3.988 4.483 ( -0.573 -2.241 0.000) 2.313 4.577 ( -0.220 -3.838 0.000) 3.844 4.740 ( 1.104 3.500 0.000) 3.670 4.904 ( 0.427 2.818 0.000) 2.850 4.913 ( 6.656 -3.148 0.000) 7.362 5.152 ( -0.803 -2.261 0.000) 2.399 5.153 ( 2.470 -0.568 0.000) 2.535 5.261 ( 0.206 0.010 0.000) 0.206 5.291 ( 0.434 1.874 0.000) 1.924 5.316 ( 1.378 1.746 0.000) 2.224 5.334 ( 1.707 1.419 0.000) 2.219 5.423 ( 1.340 0.222 0.000) 1.359 5.502 ( 4.040 3.365 0.000) 5.258 5.520 ( 2.827 -1.230 0.000) 3.083 5.660 ( 4.968 1.721 0.000) 5.258 5.687 ( 8.204 1.671 0.000) 8.372 5.727 ( 2.281 0.841 0.000) 2.431 5.771 ( -0.490 -0.736 0.000) 0.884 5.872 ( -2.949 1.549 0.000) 3.331 5.924 ( -4.944 -2.280 0.000) 5.444 6.045 ( -6.439 -2.175 0.000) 6.796 6.160 ( -0.071 1.216 0.000) 1.218 6.181 ( -2.087 -1.137 0.000) 2.377 6.198 ( -1.737 -0.189 0.000) 1.747 6.402 ( 0.485 -4.366 0.000) 4.392 ======================= Grid point 49 (37/98) ======================= q-point: (-0.23 0.23 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 98 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.630 ( -0.000 17.929 0.000) 17.929 0.648 ( -0.000 16.541 0.000) 16.541 1.039 ( -0.000 5.985 0.000) 5.985 1.128 ( -0.000 25.686 0.000) 25.686 1.273 ( -0.000 14.231 0.000) 14.231 1.301 ( -0.000 1.615 0.000) 1.615 1.534 ( -0.000 5.294 0.000) 5.294 1.747 ( 0.000 -0.871 0.000) 0.871 1.770 ( 0.000 -3.734 0.000) 3.734 1.775 ( -0.000 1.230 0.000) 1.230 1.800 ( 0.000 -0.481 0.000) 0.481 1.884 ( 0.000 -3.182 0.000) 3.182 1.995 ( -0.000 0.776 0.000) 0.776 2.091 ( -0.000 0.024 0.000) 0.024 2.263 ( 0.000 -1.123 0.000) 1.123 2.294 ( -0.000 4.838 0.000) 4.838 2.406 ( 0.000 -0.539 0.000) 0.539 2.408 ( 0.000 -0.931 0.000) 0.931 2.572 ( -0.000 1.480 0.000) 1.480 2.582 ( -0.000 5.183 0.000) 5.183 2.636 ( 0.000 -2.267 0.000) 2.267 2.637 ( 0.000 -1.211 0.000) 1.211 2.654 ( 0.000 -0.193 0.000) 0.193 2.823 ( -0.000 0.834 0.000) 0.834 2.826 ( -0.000 3.158 0.000) 3.158 2.838 ( 0.000 -0.597 0.000) 0.597 2.900 ( 0.000 -1.646 0.000) 1.646 3.021 ( 0.000 -4.314 0.000) 4.314 3.113 ( 0.000 -5.737 0.000) 5.737 3.192 ( 0.000 -2.241 0.000) 2.241 3.548 ( -0.000 2.981 0.000) 2.981 3.582 ( -0.000 0.335 0.000) 0.335 3.644 ( -0.000 0.831 0.000) 0.831 3.758 ( -0.000 1.605 0.000) 1.605 3.797 ( 0.000 -1.955 0.000) 1.955 3.910 ( 0.000 -4.493 0.000) 4.493 3.978 ( -0.000 1.309 0.000) 1.309 3.984 ( -0.000 1.171 0.000) 1.171 4.023 ( -0.000 1.192 0.000) 1.192 4.056 ( -0.000 0.832 0.000) 0.832 4.389 ( 0.000 -3.154 0.000) 3.154 4.492 ( 0.000 -3.114 0.000) 3.114 4.597 ( 0.000 -3.654 0.000) 3.654 4.727 ( -0.000 4.492 0.000) 4.492 4.892 ( -0.000 2.839 0.000) 2.839 5.005 ( 0.000 -3.949 0.000) 3.949 5.161 ( 0.000 -2.850 0.000) 2.850 5.202 ( 0.000 -2.394 0.000) 2.394 5.263 ( 0.000 -0.103 0.000) 0.103 5.279 ( -0.000 2.650 0.000) 2.650 5.324 ( -0.000 1.688 0.000) 1.688 5.352 ( -0.000 1.604 0.000) 1.604 5.433 ( -0.000 0.736 0.000) 0.736 5.516 ( -0.000 5.175 0.000) 5.175 5.559 ( 0.000 -1.067 0.000) 1.067 5.743 ( -0.000 0.022 0.000) 0.022 5.745 ( 0.000 -0.515 0.000) 0.515 5.767 ( 0.000 -0.410 0.000) 0.410 5.800 ( -0.000 0.707 0.000) 0.707 5.830 ( -0.000 0.879 0.000) 0.879 5.859 ( 0.000 -2.195 0.000) 2.195 5.923 ( -0.000 2.066 0.000) 2.066 6.153 ( -0.000 1.671 0.000) 1.671 6.158 ( -0.000 0.160 0.000) 0.160 6.178 ( -0.000 0.168 0.000) 0.168 6.434 ( 0.000 -5.017 0.000) 5.017 ======================= Grid point 56 (38/98) ======================= q-point: (-0.69 0.31 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 98 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.523 ( -9.307 0.000 0.000) 9.307 1.654 ( -4.094 0.000 0.000) 4.094 1.661 ( -5.206 0.000 0.000) 5.206 1.671 ( -5.191 0.000 0.000) 5.191 1.794 ( 0.804 -0.000 0.000) 0.804 1.824 ( -6.844 0.000 0.000) 6.844 1.881 ( 3.769 -0.000 0.000) 3.769 1.948 ( -2.040 0.000 0.000) 2.040 1.950 ( -2.861 0.000 0.000) 2.861 2.065 ( -0.212 0.000 0.000) 0.212 2.092 ( -11.087 0.000 0.000) 11.087 2.143 ( -6.810 0.000 0.000) 6.810 2.258 ( 0.538 -0.000 0.000) 0.538 2.340 ( -1.426 0.000 0.000) 1.426 2.421 ( 1.457 -0.000 0.000) 1.457 2.486 ( 1.941 -0.000 0.000) 1.941 2.550 ( 0.008 -0.000 0.000) 0.008 2.566 ( 0.937 -0.000 0.000) 0.937 2.744 ( 0.903 -0.000 0.000) 0.903 2.821 ( 3.338 -0.000 0.000) 3.338 2.853 ( 5.019 -0.000 0.000) 5.019 2.981 ( 0.500 -0.000 0.000) 0.500 2.994 ( 3.015 -0.000 0.000) 3.015 3.073 ( -1.351 0.000 0.000) 1.351 3.221 ( 0.256 -0.000 0.000) 0.256 3.260 ( 2.770 -0.000 0.000) 2.770 3.297 ( 0.012 -0.000 0.000) 0.012 3.415 ( -3.710 0.000 0.000) 3.710 3.426 ( -6.563 0.000 0.000) 6.563 3.482 ( -9.629 0.000 0.000) 9.629 3.485 ( -7.341 0.000 0.000) 7.341 3.638 ( 1.793 -0.000 0.000) 1.793 3.665 ( -1.131 0.000 0.000) 1.131 3.686 ( 2.588 -0.000 0.000) 2.588 3.789 ( -8.119 0.000 0.000) 8.119 3.880 ( -7.678 0.000 0.000) 7.678 4.312 ( 1.246 -0.000 0.000) 1.246 4.389 ( -0.264 0.000 0.000) 0.264 4.486 ( -1.500 0.000 0.000) 1.500 4.533 ( 0.683 -0.000 0.000) 0.683 4.614 ( -1.619 0.000 0.000) 1.619 4.686 ( -3.172 0.000 0.000) 3.172 4.701 ( -1.508 0.000 0.000) 1.508 4.749 ( 3.310 -0.000 0.000) 3.310 4.750 ( -4.241 0.000 0.000) 4.241 4.805 ( 3.571 -0.000 0.000) 3.571 5.050 ( 1.626 -0.000 0.000) 1.626 5.064 ( 0.535 -0.000 0.000) 0.535 5.138 ( -1.716 0.000 0.000) 1.716 5.150 ( -5.541 0.000 0.000) 5.541 5.206 ( 0.147 -0.000 0.000) 0.147 5.308 ( -2.502 0.000 0.000) 2.502 5.450 ( -4.273 0.000 0.000) 4.273 5.469 ( -5.153 0.000 0.000) 5.153 5.490 ( -1.050 0.000 0.000) 1.050 5.536 ( -2.258 0.000 0.000) 2.258 5.609 ( -1.581 0.000 0.000) 1.581 5.632 ( -6.937 0.000 0.000) 6.937 5.772 ( -0.353 0.000 0.000) 0.353 5.834 ( 1.434 -0.000 0.000) 1.434 6.045 ( 4.585 -0.000 0.000) 4.585 6.115 ( 4.969 -0.000 0.000) 4.969 6.131 ( 0.161 -0.000 0.000) 0.161 6.271 ( -0.695 0.000 0.000) 0.695 6.296 ( 1.250 -0.000 0.000) 1.250 6.338 ( -0.911 0.000 0.000) 0.911 ======================= Grid point 58 (39/98) ======================= q-point: (-0.62 0.31 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 170 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.380 ( -5.563 -0.096 0.000) 5.564 1.557 ( -4.736 2.447 0.000) 5.331 1.572 ( -5.661 -2.756 0.000) 6.296 1.587 ( -4.154 -0.582 0.000) 4.195 1.676 ( -8.117 -1.767 0.000) 8.307 1.789 ( -2.423 -1.439 0.000) 2.818 1.856 ( -12.234 -1.078 0.000) 12.281 1.887 ( -3.123 2.607 0.000) 4.068 1.917 ( -0.505 -0.345 0.000) 0.612 1.978 ( 4.336 -2.187 0.000) 4.856 2.000 ( -7.425 -0.407 0.000) 7.436 2.058 ( -0.538 -0.066 0.000) 0.542 2.260 ( -0.576 0.126 0.000) 0.590 2.287 ( -4.060 -0.750 0.000) 4.128 2.478 ( 3.500 0.019 0.000) 3.500 2.527 ( -2.360 0.791 0.000) 2.489 2.532 ( 2.254 -0.484 0.000) 2.305 2.566 ( -0.324 1.189 0.000) 1.233 2.737 ( -3.278 -1.320 0.000) 3.534 2.806 ( -5.923 0.186 0.000) 5.926 2.916 ( -0.142 -0.015 0.000) 0.143 2.997 ( 1.527 0.041 0.000) 1.527 3.022 ( -3.871 -0.009 0.000) 3.871 3.027 ( -0.142 0.110 0.000) 0.180 3.177 ( -5.555 3.596 0.000) 6.617 3.226 ( -7.430 -2.654 0.000) 7.889 3.235 ( -7.888 0.145 0.000) 7.889 3.294 ( -7.415 0.143 0.000) 7.416 3.398 ( 0.725 -0.078 0.000) 0.730 3.403 ( 5.219 -0.222 0.000) 5.224 3.415 ( 3.578 -1.873 0.000) 4.039 3.623 ( -8.972 0.311 0.000) 8.978 3.636 ( -2.807 3.293 0.000) 4.327 3.641 ( -1.287 0.268 0.000) 1.315 3.689 ( -5.761 -0.854 0.000) 5.824 3.729 ( -2.182 0.936 0.000) 2.374 4.322 ( -0.560 0.099 0.000) 0.568 4.373 ( -1.821 -0.509 0.000) 1.891 4.454 ( -1.735 0.120 0.000) 1.740 4.497 ( -3.293 0.663 0.000) 3.359 4.580 ( -2.476 2.617 0.000) 3.602 4.601 ( -4.941 0.067 0.000) 4.942 4.659 ( -2.939 -0.272 0.000) 2.952 4.660 ( -4.981 -1.868 0.000) 5.320 4.798 ( 1.388 0.673 0.000) 1.542 4.869 ( 3.229 1.016 0.000) 3.385 5.086 ( -0.060 0.230 0.000) 0.238 5.109 ( 3.655 -0.490 0.000) 3.688 5.130 ( 4.891 -1.737 0.000) 5.191 5.138 ( 1.701 -0.877 0.000) 1.914 5.220 ( 1.392 -1.037 0.000) 1.736 5.244 ( -3.421 -0.749 0.000) 3.502 5.363 ( -4.448 -0.088 0.000) 4.449 5.390 ( -1.826 0.311 0.000) 1.852 5.471 ( -1.800 -0.186 0.000) 1.809 5.486 ( -2.842 0.089 0.000) 2.844 5.512 ( -4.111 -0.043 0.000) 4.111 5.609 ( 0.921 0.093 0.000) 0.926 5.767 ( -0.261 -0.135 0.000) 0.294 5.869 ( 2.251 0.038 0.000) 2.252 6.089 ( -0.335 -0.266 0.000) 0.427 6.153 ( 2.111 -0.147 0.000) 2.116 6.191 ( 2.861 -0.115 0.000) 2.864 6.245 ( -2.147 -0.262 0.000) 2.163 6.304 ( -1.775 0.997 0.000) 2.036 6.323 ( 0.378 -1.261 0.000) 1.316 ======================= Grid point 59 (40/98) ======================= q-point: (-0.54 0.31 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 170 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.291 ( -2.564 7.260 0.000) 7.700 1.401 ( -9.338 6.590 0.000) 11.429 1.489 ( -6.383 -5.529 0.000) 8.445 1.507 ( -2.565 1.371 0.000) 2.909 1.573 ( -5.655 -2.087 0.000) 6.027 1.650 ( -10.226 -6.414 0.000) 12.071 1.731 ( -4.309 -5.931 0.000) 7.331 1.785 ( -4.768 4.219 0.000) 6.367 1.896 ( -4.075 -1.580 0.000) 4.370 1.934 ( 1.625 -0.254 0.000) 1.645 2.045 ( -0.914 0.028 0.000) 0.914 2.068 ( 2.572 -1.188 0.000) 2.833 2.199 ( -4.815 -2.372 0.000) 5.368 2.230 ( -2.291 0.054 0.000) 2.291 2.414 ( -9.336 2.189 0.000) 9.589 2.510 ( -7.972 1.702 0.000) 8.152 2.544 ( 2.255 -0.031 0.000) 2.255 2.552 ( -0.265 1.500 0.000) 1.524 2.652 ( -4.948 -2.276 0.000) 5.447 2.653 ( -5.357 -2.712 0.000) 6.004 2.835 ( -7.038 1.657 0.000) 7.231 2.928 ( -5.362 0.864 0.000) 5.431 2.946 ( -8.161 0.973 0.000) 8.218 3.003 ( -1.625 0.778 0.000) 1.802 3.041 ( -3.493 3.096 0.000) 4.667 3.091 ( -6.484 0.156 0.000) 6.486 3.141 ( -4.575 -4.362 0.000) 6.321 3.184 ( -4.020 -1.390 0.000) 4.253 3.371 ( -12.826 2.873 0.000) 13.144 3.411 ( -9.439 3.823 0.000) 10.184 3.456 ( 4.283 -0.353 0.000) 4.298 3.541 ( 7.068 -0.605 0.000) 7.094 3.588 ( 2.441 1.461 0.000) 2.845 3.619 ( -0.680 0.363 0.000) 0.771 3.651 ( 0.375 -3.207 0.000) 3.229 3.719 ( 0.918 1.494 0.000) 1.753 4.279 ( -3.831 0.791 0.000) 3.911 4.317 ( -4.223 0.035 0.000) 4.223 4.403 ( -5.970 2.755 0.000) 6.575 4.406 ( -3.654 0.534 0.000) 3.692 4.508 ( -2.521 1.336 0.000) 2.853 4.515 ( -4.975 -2.648 0.000) 5.636 4.586 ( -4.407 -3.285 0.000) 5.497 4.618 ( -0.096 -0.432 0.000) 0.443 4.802 ( 0.049 0.669 0.000) 0.671 4.910 ( 1.861 1.606 0.000) 2.458 5.117 ( 1.616 1.713 0.000) 2.355 5.170 ( 0.699 -2.755 0.000) 2.842 5.182 ( 2.350 0.156 0.000) 2.355 5.192 ( 2.460 -0.994 0.000) 2.653 5.282 ( 4.757 -0.725 0.000) 4.812 5.287 ( 4.799 -1.433 0.000) 5.008 5.311 ( 0.559 0.045 0.000) 0.560 5.401 ( -3.148 0.211 0.000) 3.155 5.414 ( 4.621 0.283 0.000) 4.630 5.435 ( -2.073 -0.218 0.000) 2.084 5.513 ( 2.209 -0.404 0.000) 2.246 5.637 ( 2.242 0.396 0.000) 2.276 5.764 ( -0.202 -0.445 0.000) 0.488 5.914 ( 2.332 0.415 0.000) 2.368 6.057 ( -3.063 -0.810 0.000) 3.168 6.179 ( -0.788 0.461 0.000) 0.914 6.198 ( -2.021 -1.498 0.000) 2.516 6.225 ( 0.642 -0.279 0.000) 0.700 6.247 ( -3.360 0.496 0.000) 3.397 6.336 ( 0.147 -1.310 0.000) 1.318 ======================= Grid point 60 (41/98) ======================= q-point: (-0.46 0.31 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 170 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.172 ( -9.399 9.352 0.000) 13.259 1.179 ( -4.009 13.725 0.000) 14.299 1.354 ( -8.337 -2.642 0.000) 8.745 1.419 ( -8.049 5.755 0.000) 9.895 1.479 ( -1.742 -1.751 0.000) 2.470 1.539 ( -5.754 -3.822 0.000) 6.908 1.715 ( -1.445 -6.311 0.000) 6.474 1.724 ( 0.325 1.507 0.000) 1.541 1.838 ( -3.693 -2.715 0.000) 4.583 1.967 ( 1.412 1.136 0.000) 1.813 1.998 ( -8.086 -1.696 0.000) 8.262 2.014 ( -2.769 0.391 0.000) 2.796 2.185 ( -4.724 0.501 0.000) 4.751 2.200 ( -6.640 -0.098 0.000) 6.641 2.216 ( -7.423 1.064 0.000) 7.499 2.234 ( -4.508 -0.826 0.000) 4.583 2.520 ( -2.774 2.623 0.000) 3.818 2.570 ( -1.000 0.811 0.000) 1.288 2.600 ( -1.606 -2.650 0.000) 3.099 2.627 ( -1.418 -1.445 0.000) 2.025 2.681 ( -5.643 4.716 0.000) 7.354 2.803 ( -5.686 0.207 0.000) 5.689 2.830 ( -3.955 0.499 0.000) 3.986 2.922 ( -6.430 1.060 0.000) 6.516 2.960 ( -3.781 2.431 0.000) 4.495 2.985 ( -4.284 -0.383 0.000) 4.301 3.083 ( -4.095 -4.612 0.000) 6.168 3.083 ( -11.406 2.014 0.000) 11.583 3.116 ( -7.577 0.648 0.000) 7.605 3.233 ( -6.000 -0.015 0.000) 6.000 3.533 ( 3.531 1.171 0.000) 3.721 3.568 ( -2.600 -1.014 0.000) 2.790 3.614 ( 0.656 0.150 0.000) 0.673 3.671 ( 5.790 -0.022 0.000) 5.790 3.696 ( 1.470 -2.100 0.000) 2.564 3.777 ( 4.856 1.688 0.000) 5.141 4.174 ( -6.056 1.471 0.000) 6.232 4.216 ( -5.622 1.400 0.000) 5.794 4.247 ( -8.174 2.997 0.000) 8.706 4.302 ( -7.509 -2.148 0.000) 7.810 4.433 ( -4.640 -2.438 0.000) 5.242 4.476 ( -1.123 -0.662 0.000) 1.303 4.536 ( -2.413 -3.633 0.000) 4.362 4.686 ( 5.821 -1.156 0.000) 5.935 4.808 ( 1.293 0.599 0.000) 1.425 4.928 ( 1.099 1.827 0.000) 2.132 5.123 ( 0.765 0.461 0.000) 0.893 5.162 ( -2.295 -0.453 0.000) 2.339 5.229 ( 2.540 -1.219 0.000) 2.817 5.253 ( 2.838 -0.735 0.000) 2.932 5.334 ( 0.766 1.324 0.000) 1.530 5.345 ( 1.190 2.571 0.000) 2.833 5.381 ( 1.520 -0.972 0.000) 1.804 5.405 ( 5.828 -0.817 0.000) 5.885 5.447 ( 3.951 -0.721 0.000) 4.016 5.549 ( 8.291 1.145 0.000) 8.369 5.583 ( 4.852 -0.077 0.000) 4.852 5.689 ( 3.486 1.182 0.000) 3.681 5.764 ( -0.145 -0.672 0.000) 0.687 5.936 ( -0.234 1.160 0.000) 1.183 5.986 ( -4.960 -1.651 0.000) 5.227 6.115 ( -4.398 -1.025 0.000) 4.516 6.188 ( -1.966 0.420 0.000) 2.010 6.191 ( -0.829 -0.874 0.000) 1.205 6.222 ( -1.005 -0.309 0.000) 1.052 6.345 ( -0.158 -2.175 0.000) 2.181 ======================= Grid point 61 (42/98) ======================= q-point: (-0.38 0.31 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 170 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.959 ( -5.966 13.190 0.000) 14.476 0.975 ( -8.449 12.035 0.000) 14.705 1.221 ( -8.396 4.496 0.000) 9.524 1.257 ( -3.035 -0.601 0.000) 3.094 1.461 ( 0.220 5.250 0.000) 5.254 1.485 ( 1.229 5.567 0.000) 5.701 1.707 ( -1.208 9.868 0.000) 9.942 1.721 ( -0.639 -2.643 0.000) 2.719 1.775 ( -4.016 -2.630 0.000) 4.800 1.865 ( -6.034 -0.753 0.000) 6.081 1.873 ( -7.297 1.374 0.000) 7.426 1.939 ( -11.111 -0.977 0.000) 11.154 2.004 ( 1.136 1.328 0.000) 1.747 2.095 ( -1.081 -0.031 0.000) 1.081 2.205 ( 1.699 -2.072 0.000) 2.680 2.325 ( 5.413 3.585 0.000) 6.492 2.437 ( -3.817 0.652 0.000) 3.872 2.475 ( -6.594 1.481 0.000) 6.758 2.552 ( -1.651 1.688 0.000) 2.361 2.605 ( 0.366 -1.729 0.000) 1.768 2.652 ( -0.020 0.355 0.000) 0.355 2.711 ( -4.562 -0.447 0.000) 4.583 2.753 ( -7.042 1.047 0.000) 7.119 2.801 ( -1.603 0.143 0.000) 1.609 2.886 ( -2.034 2.375 0.000) 3.127 2.888 ( -5.320 0.717 0.000) 5.368 2.939 ( -4.511 -0.093 0.000) 4.512 2.979 ( -4.014 -3.022 0.000) 5.024 3.045 ( -2.316 -4.874 0.000) 5.397 3.180 ( -1.483 -1.357 0.000) 2.011 3.538 ( -1.193 -2.983 0.000) 3.213 3.575 ( 1.946 2.077 0.000) 2.846 3.634 ( 1.275 0.337 0.000) 1.319 3.743 ( 1.563 -4.150 0.000) 4.435 3.758 ( 3.563 1.397 0.000) 3.827 3.841 ( 3.055 2.750 0.000) 4.110 4.054 ( -4.896 1.464 0.000) 5.110 4.080 ( -7.202 1.905 0.000) 7.450 4.107 ( -4.432 1.186 0.000) 4.588 4.154 ( -8.702 -2.447 0.000) 9.040 4.375 ( -2.539 -1.935 0.000) 3.192 4.463 ( -0.713 -1.293 0.000) 1.477 4.533 ( -0.378 -3.987 0.000) 4.004 4.771 ( 1.898 2.081 0.000) 2.816 4.881 ( 5.617 -2.574 0.000) 6.179 4.932 ( 0.463 2.262 0.000) 2.309 5.132 ( -1.162 -1.356 0.000) 1.786 5.147 ( 1.679 -0.494 0.000) 1.751 5.261 ( 0.567 -0.161 0.000) 0.590 5.299 ( 1.423 -0.121 0.000) 1.428 5.338 ( 0.292 2.030 0.000) 2.051 5.349 ( 1.895 1.496 0.000) 2.414 5.420 ( 1.438 -0.627 0.000) 1.569 5.507 ( 3.809 -0.593 0.000) 3.855 5.537 ( 4.787 2.394 0.000) 5.352 5.668 ( 4.746 0.107 0.000) 4.747 5.706 ( 7.363 1.324 0.000) 7.481 5.744 ( 2.732 2.213 0.000) 3.516 5.764 ( -0.209 -0.520 0.000) 0.560 5.888 ( -3.391 1.261 0.000) 3.617 5.895 ( -5.410 -2.788 0.000) 6.086 6.028 ( -5.348 -0.903 0.000) 5.424 6.173 ( 0.400 1.070 0.000) 1.142 6.174 ( -1.184 -0.373 0.000) 1.242 6.197 ( -1.474 -0.100 0.000) 1.478 6.358 ( 0.017 -3.471 0.000) 3.471 ======================= Grid point 62 (43/98) ======================= q-point: (-0.31 0.31 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 98 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.809 ( -0.000 12.709 0.000) 12.709 0.817 ( -0.000 16.169 0.000) 16.169 1.103 ( -0.000 5.391 0.000) 5.391 1.229 ( -0.000 0.403 0.000) 0.403 1.417 ( -0.000 11.130 0.000) 11.130 1.470 ( -0.000 19.943 0.000) 19.943 1.593 ( -0.000 5.468 0.000) 5.468 1.729 ( 0.000 -3.168 0.000) 3.168 1.739 ( -0.000 1.417 0.000) 1.417 1.788 ( -0.000 1.138 0.000) 1.138 1.797 ( 0.000 -0.202 0.000) 0.202 1.850 ( 0.000 -3.032 0.000) 3.032 2.008 ( -0.000 1.460 0.000) 1.460 2.091 ( -0.000 0.021 0.000) 0.021 2.245 ( 0.000 -2.176 0.000) 2.176 2.357 ( -0.000 6.447 0.000) 6.447 2.397 ( 0.000 -0.920 0.000) 0.920 2.398 ( 0.000 -0.934 0.000) 0.934 2.584 ( -0.000 0.646 0.000) 0.646 2.602 ( 0.000 -2.121 0.000) 2.121 2.624 ( 0.000 -1.253 0.000) 1.253 2.649 ( -0.000 5.315 0.000) 5.315 2.652 ( 0.000 -0.170 0.000) 0.170 2.821 ( 0.000 -1.592 0.000) 1.592 2.834 ( 0.000 -0.166 0.000) 0.166 2.857 ( -0.000 2.413 0.000) 2.413 2.882 ( 0.000 -1.557 0.000) 1.557 2.974 ( 0.000 -3.939 0.000) 3.939 3.051 ( 0.000 -5.425 0.000) 5.425 3.173 ( 0.000 -1.251 0.000) 1.251 3.553 ( 0.000 -4.463 0.000) 4.463 3.582 ( -0.000 2.909 0.000) 2.909 3.647 ( -0.000 0.075 0.000) 0.075 3.783 ( -0.000 2.719 0.000) 2.719 3.783 ( 0.000 -2.555 0.000) 2.555 3.872 ( 0.000 -1.006 0.000) 1.006 3.992 ( -0.000 1.210 0.000) 1.210 3.997 ( -0.000 1.126 0.000) 1.126 4.036 ( -0.000 1.126 0.000) 1.126 4.065 ( -0.000 0.801 0.000) 0.801 4.361 ( 0.000 -2.061 0.000) 2.061 4.465 ( 0.000 -1.888 0.000) 1.888 4.554 ( 0.000 -4.141 0.000) 4.141 4.770 ( -0.000 3.297 0.000) 3.297 4.923 ( -0.000 2.679 0.000) 2.679 4.963 ( 0.000 -3.557 0.000) 3.557 5.132 ( 0.000 -2.216 0.000) 2.216 5.178 ( 0.000 -1.949 0.000) 1.949 5.264 ( -0.000 0.224 0.000) 0.224 5.305 ( -0.000 1.667 0.000) 1.667 5.338 ( -0.000 1.018 0.000) 1.018 5.369 ( -0.000 1.419 0.000) 1.419 5.436 ( 0.000 -0.153 0.000) 0.153 5.545 ( 0.000 -0.368 0.000) 0.368 5.573 ( -0.000 4.132 0.000) 4.132 5.740 ( 0.000 -0.411 0.000) 0.411 5.745 ( -0.000 0.251 0.000) 0.251 5.763 ( 0.000 -0.303 0.000) 0.303 5.807 ( -0.000 0.586 0.000) 0.586 5.836 ( 0.000 -1.967 0.000) 1.967 5.839 ( -0.000 0.739 0.000) 0.739 5.945 ( -0.000 1.844 0.000) 1.844 6.160 ( -0.000 0.151 0.000) 0.151 6.172 ( -0.000 1.670 0.000) 1.670 6.179 ( -0.000 0.156 0.000) 0.156 6.381 ( 0.000 -4.476 0.000) 4.476 ======================= Grid point 71 (44/98) ======================= q-point: (-0.62 0.38 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 98 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.348 ( 1.897 -0.000 0.000) 1.897 1.443 ( -6.505 0.000 0.000) 6.505 1.460 ( -9.835 0.000 0.000) 9.835 1.482 ( -3.993 0.000 0.000) 3.993 1.580 ( -0.119 0.000 0.000) 0.119 1.612 ( -12.615 0.000 0.000) 12.615 1.690 ( -6.880 0.000 0.000) 6.880 1.808 ( -5.753 0.000 0.000) 5.753 1.889 ( -3.597 0.000 0.000) 3.597 1.933 ( 1.892 -0.000 0.000) 1.892 2.045 ( -0.842 0.000 0.000) 0.842 2.061 ( 3.356 -0.000 0.000) 3.356 2.185 ( -5.250 0.000 0.000) 5.250 2.230 ( -2.389 0.000 0.000) 2.389 2.427 ( -9.566 0.000 0.000) 9.566 2.521 ( -8.303 0.000 0.000) 8.303 2.545 ( 3.247 -0.000 0.000) 3.247 2.560 ( -0.274 0.000 0.000) 0.274 2.636 ( -6.073 0.000 0.000) 6.073 2.639 ( -4.749 0.000 0.000) 4.749 2.843 ( -6.280 0.000 0.000) 6.280 2.933 ( -5.294 0.000 0.000) 5.294 2.951 ( -7.928 0.000 0.000) 7.928 3.008 ( -1.587 0.000 0.000) 1.587 3.069 ( -4.351 0.000 0.000) 4.351 3.093 ( -6.736 0.000 0.000) 6.736 3.107 ( -4.348 0.000 0.000) 4.348 3.176 ( -3.851 0.000 0.000) 3.851 3.387 ( -11.916 0.000 0.000) 11.916 3.434 ( -10.934 0.000 0.000) 10.934 3.454 ( 4.635 -0.000 0.000) 4.635 3.538 ( 7.353 -0.000 0.000) 7.353 3.611 ( -2.389 0.000 0.000) 2.389 3.617 ( 5.506 -0.000 0.000) 5.506 3.621 ( -0.790 0.000 0.000) 0.790 3.727 ( 0.290 -0.000 0.000) 0.290 4.283 ( -3.695 0.000 0.000) 3.695 4.317 ( -3.927 0.000 0.000) 3.927 4.411 ( -3.747 0.000 0.000) 3.747 4.418 ( -5.551 0.000 0.000) 5.551 4.498 ( -5.234 0.000 0.000) 5.234 4.524 ( -3.525 0.000 0.000) 3.525 4.559 ( -4.427 0.000 0.000) 4.427 4.615 ( -0.381 0.000 0.000) 0.381 4.805 ( -0.063 0.000 0.000) 0.063 4.919 ( 1.709 -0.000 0.000) 1.709 5.137 ( 4.434 -0.000 0.000) 4.434 5.145 ( -1.914 0.000 0.000) 1.914 5.184 ( 3.676 -0.000 0.000) 3.676 5.186 ( 1.385 -0.000 0.000) 1.385 5.278 ( 5.243 -0.000 0.000) 5.243 5.278 ( 5.317 -0.000 0.000) 5.317 5.312 ( 0.882 -0.000 0.000) 0.882 5.402 ( -3.434 0.000 0.000) 3.434 5.415 ( 4.854 -0.000 0.000) 4.854 5.434 ( -2.302 0.000 0.000) 2.302 5.511 ( 2.279 -0.000 0.000) 2.279 5.640 ( 2.350 -0.000 0.000) 2.350 5.761 ( -0.237 0.000 0.000) 0.237 5.917 ( 2.452 -0.000 0.000) 2.452 6.052 ( -3.160 0.000 0.000) 3.160 6.184 ( 0.829 -0.000 0.000) 0.829 6.187 ( -3.746 0.000 0.000) 3.746 6.223 ( 0.656 -0.000 0.000) 0.656 6.250 ( -3.486 0.000 0.000) 3.486 6.329 ( 0.158 -0.000 0.000) 0.158 ======================= Grid point 73 (45/98) ======================= q-point: (-0.54 0.38 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 170 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.259 ( -8.600 5.695 0.000) 10.315 1.317 ( -4.032 8.635 0.000) 9.530 1.338 ( -9.924 1.659 0.000) 10.062 1.407 ( -6.610 -3.721 0.000) 7.585 1.470 ( 1.106 -7.839 0.000) 7.916 1.529 ( -3.399 6.861 0.000) 7.657 1.642 ( 1.359 -6.435 0.000) 6.577 1.725 ( -1.344 -0.567 0.000) 1.459 1.832 ( -2.736 0.689 0.000) 2.821 1.978 ( 2.570 0.622 0.000) 2.644 1.983 ( -8.582 -0.818 0.000) 8.621 2.017 ( -2.885 0.152 0.000) 2.889 2.183 ( -2.077 -0.312 0.000) 2.100 2.204 ( -10.814 0.352 0.000) 10.819 2.217 ( 5.645 -0.448 0.000) 5.663 2.231 ( -16.543 0.170 0.000) 16.543 2.547 ( -3.098 2.273 0.000) 3.843 2.573 ( -1.071 -2.207 0.000) 2.453 2.581 ( -1.541 1.310 0.000) 2.023 2.604 ( 0.508 -2.067 0.000) 2.128 2.727 ( -4.612 2.604 0.000) 5.296 2.804 ( -6.456 -0.009 0.000) 6.456 2.832 ( -5.115 -0.083 0.000) 5.116 2.931 ( -5.887 0.523 0.000) 5.910 2.981 ( -4.614 -0.221 0.000) 4.619 2.986 ( -3.955 2.184 0.000) 4.518 3.039 ( -3.692 -2.988 0.000) 4.750 3.104 ( -9.530 1.600 0.000) 9.663 3.117 ( -10.131 -0.327 0.000) 10.136 3.233 ( -7.893 -0.079 0.000) 7.894 3.542 ( 4.103 0.480 0.000) 4.131 3.560 ( -2.901 -0.356 0.000) 2.923 3.615 ( 0.434 0.077 0.000) 0.441 3.670 ( 6.185 -0.080 0.000) 6.186 3.677 ( 0.199 -1.065 0.000) 1.083 3.790 ( 5.518 0.563 0.000) 5.546 4.185 ( -6.040 0.541 0.000) 6.064 4.224 ( -5.456 0.295 0.000) 5.464 4.273 ( -8.751 1.384 0.000) 8.860 4.291 ( -8.208 -0.273 0.000) 8.213 4.412 ( -4.022 -1.073 0.000) 4.163 4.476 ( -1.266 0.815 0.000) 1.506 4.500 ( -2.423 -2.676 0.000) 3.610 4.676 ( 6.019 -0.516 0.000) 6.042 4.813 ( 1.011 0.216 0.000) 1.034 4.942 ( 0.993 0.637 0.000) 1.180 5.128 ( 0.341 0.341 0.000) 0.482 5.160 ( -2.438 -0.040 0.000) 2.438 5.218 ( 3.142 -0.595 0.000) 3.198 5.247 ( 2.866 -0.369 0.000) 2.890 5.350 ( 1.790 1.410 0.000) 2.279 5.364 ( 0.834 0.860 0.000) 1.198 5.368 ( 0.709 -1.276 0.000) 1.460 5.401 ( 6.328 0.106 0.000) 6.329 5.439 ( 4.964 -0.605 0.000) 5.001 5.559 ( 8.758 0.648 0.000) 8.782 5.580 ( 4.712 -0.329 0.000) 4.724 5.700 ( 4.004 0.579 0.000) 4.045 5.759 ( -0.089 -0.236 0.000) 0.252 5.945 ( -0.089 0.423 0.000) 0.432 5.972 ( -5.395 -0.740 0.000) 5.446 6.108 ( -4.538 -0.376 0.000) 4.553 6.186 ( -0.573 -0.206 0.000) 0.609 6.191 ( -1.938 0.160 0.000) 1.945 6.220 ( -0.938 -0.098 0.000) 0.943 6.328 ( -0.361 -0.787 0.000) 0.865 ======================= Grid point 74 (46/98) ======================= q-point: (-0.46 0.38 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 170 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.076 ( -10.625 6.174 0.000) 12.289 1.086 ( -4.822 9.523 0.000) 10.674 1.254 ( -7.965 1.470 0.000) 8.099 1.257 ( -2.241 0.472 0.000) 2.290 1.488 ( 0.037 0.119 0.000) 0.125 1.524 ( 2.937 1.987 0.000) 3.546 1.708 ( 2.584 -0.001 0.000) 2.584 1.755 ( -3.707 0.133 0.000) 3.710 1.790 ( 4.399 4.032 0.000) 5.967 1.847 ( -5.291 -2.337 0.000) 5.784 1.887 ( -7.719 1.145 0.000) 7.803 1.942 ( -11.044 1.167 0.000) 11.105 2.017 ( 1.307 0.897 0.000) 1.585 2.095 ( -1.265 0.089 0.000) 1.268 2.183 ( 1.261 -1.846 0.000) 2.236 2.355 ( 7.953 1.731 0.000) 8.140 2.445 ( -5.117 0.707 0.000) 5.166 2.488 ( -7.102 0.758 0.000) 7.143 2.589 ( 0.863 -1.150 0.000) 1.438 2.592 ( -3.143 5.059 0.000) 5.956 2.647 ( -1.297 0.048 0.000) 1.298 2.705 ( -4.419 -0.537 0.000) 4.451 2.749 ( -3.469 -2.900 0.000) 4.522 2.804 ( -5.812 0.760 0.000) 5.862 2.897 ( -6.276 0.827 0.000) 6.330 2.908 ( -2.582 1.664 0.000) 3.072 2.935 ( -2.409 -0.649 0.000) 2.495 2.953 ( -7.333 -1.632 0.000) 7.512 3.001 ( -1.962 -3.075 0.000) 3.648 3.169 ( -1.172 -0.765 0.000) 1.399 3.515 ( -1.851 -1.100 0.000) 2.154 3.589 ( 1.363 0.629 0.000) 1.501 3.641 ( 2.074 0.834 0.000) 2.235 3.694 ( 0.368 -4.141 0.000) 4.157 3.770 ( 4.377 0.748 0.000) 4.441 3.869 ( 3.124 1.922 0.000) 3.668 4.067 ( -5.180 0.862 0.000) 5.251 4.099 ( -7.849 1.387 0.000) 7.970 4.119 ( -4.868 0.870 0.000) 4.945 4.137 ( -7.195 -0.979 0.000) 7.261 4.359 ( -2.143 -1.021 0.000) 2.374 4.455 ( -0.761 -0.210 0.000) 0.789 4.494 ( -0.250 -3.002 0.000) 3.012 4.786 ( 3.047 0.732 0.000) 3.134 4.859 ( 4.479 -1.249 0.000) 4.650 4.952 ( 0.510 1.204 0.000) 1.308 5.123 ( -1.388 -0.432 0.000) 1.454 5.144 ( 1.111 -0.130 0.000) 1.118 5.258 ( 0.982 -0.272 0.000) 1.019 5.294 ( 1.608 -0.626 0.000) 1.726 5.355 ( -0.227 0.979 0.000) 1.005 5.366 ( 1.745 1.471 0.000) 2.282 5.410 ( 1.567 -1.092 0.000) 1.910 5.504 ( 4.003 0.105 0.000) 4.004 5.556 ( 5.874 1.140 0.000) 5.984 5.668 ( 4.393 -0.095 0.000) 4.394 5.716 ( 6.984 0.569 0.000) 7.007 5.759 ( -0.018 -0.272 0.000) 0.273 5.770 ( 3.174 2.223 0.000) 3.875 5.866 ( -5.807 -2.378 0.000) 6.275 5.899 ( -3.704 0.724 0.000) 3.774 6.023 ( -4.426 -0.263 0.000) 4.434 6.171 ( -0.856 -0.114 0.000) 0.864 6.183 ( 0.753 0.631 0.000) 0.982 6.196 ( -1.314 -0.038 0.000) 1.315 6.328 ( -0.281 -1.909 0.000) 1.930 ======================= Grid point 75 (47/98) ======================= q-point: (-0.38 0.38 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 98 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.922 ( -0.000 7.951 0.000) 7.951 0.978 ( -0.000 12.899 0.000) 12.899 1.153 ( -0.000 3.705 0.000) 3.705 1.232 ( -0.000 0.477 0.000) 0.477 1.491 ( -0.000 1.653 0.000) 1.653 1.581 ( -0.000 1.308 0.000) 1.308 1.650 ( -0.000 4.911 0.000) 4.911 1.721 ( -0.000 2.536 0.000) 2.536 1.792 ( 0.000 -1.072 0.000) 1.072 1.799 ( -0.000 0.795 0.000) 0.795 1.822 ( 0.000 -1.757 0.000) 1.757 1.833 ( -0.000 13.889 0.000) 13.889 2.024 ( -0.000 1.178 0.000) 1.178 2.091 ( 0.000 -0.073 0.000) 0.073 2.218 ( 0.000 -2.523 0.000) 2.523 2.387 ( 0.000 -0.928 0.000) 0.928 2.388 ( 0.000 -0.680 0.000) 0.680 2.432 ( -0.000 7.322 0.000) 7.322 2.580 ( 0.000 -1.459 0.000) 1.459 2.586 ( 0.000 -0.067 0.000) 0.067 2.610 ( 0.000 -1.158 0.000) 1.158 2.650 ( 0.000 -0.113 0.000) 0.113 2.704 ( -0.000 4.174 0.000) 4.174 2.780 ( 0.000 -6.135 0.000) 6.135 2.835 ( -0.000 0.368 0.000) 0.368 2.867 ( 0.000 -1.289 0.000) 1.289 2.878 ( -0.000 1.386 0.000) 1.386 2.941 ( 0.000 -2.056 0.000) 2.056 3.000 ( 0.000 -3.729 0.000) 3.729 3.163 ( 0.000 -0.704 0.000) 0.704 3.509 ( 0.000 -2.942 0.000) 2.942 3.601 ( -0.000 0.408 0.000) 0.408 3.657 ( -0.000 1.763 0.000) 1.763 3.730 ( 0.000 -6.008 0.000) 6.008 3.812 ( -0.000 2.355 0.000) 2.355 3.887 ( -0.000 2.413 0.000) 2.413 4.003 ( -0.000 0.828 0.000) 0.828 4.008 ( -0.000 0.829 0.000) 0.829 4.047 ( -0.000 0.797 0.000) 0.797 4.073 ( -0.000 0.581 0.000) 0.581 4.343 ( 0.000 -1.116 0.000) 1.116 4.450 ( 0.000 -0.787 0.000) 0.787 4.511 ( 0.000 -3.500 0.000) 3.500 4.799 ( -0.000 1.988 0.000) 1.988 4.930 ( 0.000 -2.463 0.000) 2.463 4.948 ( -0.000 1.849 0.000) 1.849 5.114 ( 0.000 -1.086 0.000) 1.086 5.161 ( 0.000 -1.096 0.000) 1.096 5.267 ( -0.000 0.143 0.000) 0.143 5.311 ( 0.000 -0.285 0.000) 0.285 5.349 ( -0.000 0.972 0.000) 0.972 5.383 ( -0.000 1.252 0.000) 1.252 5.431 ( 0.000 -0.807 0.000) 0.807 5.543 ( -0.000 0.069 0.000) 0.069 5.612 ( -0.000 2.858 0.000) 2.858 5.736 ( 0.000 -0.266 0.000) 0.266 5.748 ( -0.000 0.315 0.000) 0.315 5.760 ( 0.000 -0.185 0.000) 0.185 5.812 ( -0.000 0.386 0.000) 0.386 5.817 ( 0.000 -1.338 0.000) 1.338 5.846 ( -0.000 0.491 0.000) 0.491 5.962 ( -0.000 1.272 0.000) 1.272 6.161 ( -0.000 0.108 0.000) 0.108 6.181 ( -0.000 0.109 0.000) 0.109 6.188 ( -0.000 1.245 0.000) 1.245 6.340 ( 0.000 -3.045 0.000) 3.045 ======================= Grid point 86 (48/98) ======================= q-point: (-0.54 0.46 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 98 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.109 ( -11.327 0.000 0.000) 11.327 1.146 ( -4.705 0.000 0.000) 4.705 1.258 ( -6.909 0.000 0.000) 6.909 1.261 ( -2.357 0.000 0.000) 2.357 1.485 ( -1.651 0.000 0.000) 1.651 1.534 ( 2.761 -0.000 0.000) 2.761 1.710 ( 4.903 -0.000 0.000) 4.903 1.759 ( -0.438 0.000 0.000) 0.438 1.812 ( 4.005 -0.000 0.000) 4.005 1.829 ( -6.249 0.000 0.000) 6.249 1.895 ( -7.908 0.000 0.000) 7.908 1.951 ( -9.479 0.000 0.000) 9.479 2.022 ( 1.216 -0.000 0.000) 1.216 2.096 ( -1.266 0.000 0.000) 1.266 2.171 ( 1.062 -0.000 0.000) 1.062 2.364 ( 8.919 -0.000 0.000) 8.919 2.449 ( -5.738 0.000 0.000) 5.738 2.492 ( -6.970 0.000 0.000) 6.970 2.582 ( 1.100 -0.000 0.000) 1.100 2.619 ( 0.257 -0.000 0.000) 0.257 2.686 ( -1.819 0.000 0.000) 1.819 2.697 ( -7.920 0.000 0.000) 7.920 2.701 ( -4.312 0.000 0.000) 4.312 2.810 ( -6.406 0.000 0.000) 6.406 2.902 ( -6.661 0.000 0.000) 6.661 2.919 ( -3.136 0.000 0.000) 3.136 2.930 ( -0.844 0.000 0.000) 0.844 2.944 ( -8.884 0.000 0.000) 8.884 2.982 ( -1.490 0.000 0.000) 1.490 3.164 ( -1.018 0.000 0.000) 1.018 3.511 ( -1.892 0.000 0.000) 1.892 3.592 ( 0.928 -0.000 0.000) 0.928 3.647 ( 2.580 -0.000 0.000) 2.580 3.668 ( -0.266 0.000 0.000) 0.266 3.774 ( 4.710 -0.000 0.000) 4.710 3.879 ( 3.232 -0.000 0.000) 3.232 4.072 ( -5.281 0.000 0.000) 5.281 4.107 ( -8.165 0.000 0.000) 8.165 4.125 ( -4.487 0.000 0.000) 4.487 4.130 ( -7.258 0.000 0.000) 7.258 4.353 ( -1.953 0.000 0.000) 1.953 4.456 ( -1.051 0.000 0.000) 1.051 4.475 ( 0.144 -0.000 0.000) 0.144 4.789 ( 3.712 -0.000 0.000) 3.712 4.853 ( 3.848 -0.000 0.000) 3.848 4.958 ( 0.521 -0.000 0.000) 0.521 5.121 ( -1.453 0.000 0.000) 1.453 5.143 ( 0.896 -0.000 0.000) 0.896 5.256 ( 1.164 -0.000 0.000) 1.164 5.290 ( 1.612 -0.000 0.000) 1.612 5.360 ( -0.373 0.000 0.000) 0.373 5.377 ( 1.539 -0.000 0.000) 1.539 5.402 ( 1.726 -0.000 0.000) 1.726 5.506 ( 4.035 -0.000 0.000) 4.035 5.562 ( 6.285 -0.000 0.000) 6.285 5.667 ( 4.249 -0.000 0.000) 4.249 5.719 ( 6.953 -0.000 0.000) 6.953 5.758 ( 0.051 -0.000 0.000) 0.051 5.784 ( 3.888 -0.000 0.000) 3.888 5.850 ( -6.560 0.000 0.000) 6.560 5.903 ( -3.818 0.000 0.000) 3.818 6.021 ( -4.104 0.000 0.000) 4.104 6.171 ( -0.771 0.000 0.000) 0.771 6.186 ( 0.885 -0.000 0.000) 0.885 6.196 ( -1.262 0.000 0.000) 1.262 6.318 ( -0.382 0.000 0.000) 0.382 ======================= Grid point 88 (49/98) ======================= q-point: (-0.46 0.46 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 98 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.981 ( -0.000 2.690 0.000) 2.690 1.085 ( -0.000 5.725 0.000) 5.725 1.181 ( -0.000 1.317 0.000) 1.317 1.238 ( -0.000 0.386 0.000) 0.386 1.477 ( 0.000 -2.065 0.000) 2.065 1.574 ( 0.000 -0.915 0.000) 0.915 1.696 ( -0.000 2.886 0.000) 2.886 1.761 ( -0.000 2.900 0.000) 2.900 1.772 ( 0.000 -1.865 0.000) 1.865 1.805 ( -0.000 0.284 0.000) 0.284 1.813 ( 0.000 -0.149 0.000) 0.149 1.955 ( -0.000 6.373 0.000) 6.373 2.030 ( -0.000 0.105 0.000) 0.105 2.091 ( -0.000 0.117 0.000) 0.117 2.195 ( 0.000 -1.245 0.000) 1.245 2.380 ( 0.000 -0.389 0.000) 0.389 2.383 ( 0.000 -0.251 0.000) 0.251 2.505 ( -0.000 4.201 0.000) 4.201 2.585 ( 0.000 -0.145 0.000) 0.145 2.588 ( -0.000 4.501 0.000) 4.501 2.600 ( 0.000 -0.511 0.000) 0.511 2.649 ( 0.000 -0.040 0.000) 0.040 2.685 ( 0.000 -9.183 0.000) 9.183 2.741 ( -0.000 1.232 0.000) 1.232 2.841 ( -0.000 0.585 0.000) 0.585 2.855 ( 0.000 -0.848 0.000) 0.848 2.887 ( -0.000 0.392 0.000) 0.392 2.928 ( 0.000 -0.478 0.000) 0.478 2.972 ( 0.000 -1.256 0.000) 1.256 3.158 ( 0.000 -0.236 0.000) 0.236 3.493 ( 0.000 -0.288 0.000) 0.288 3.600 ( 0.000 -0.217 0.000) 0.217 3.675 ( 0.000 -3.151 0.000) 3.151 3.675 ( -0.000 1.020 0.000) 1.020 3.830 ( -0.000 0.918 0.000) 0.918 3.908 ( -0.000 1.082 0.000) 1.082 4.010 ( -0.000 0.291 0.000) 0.291 4.014 ( -0.000 0.307 0.000) 0.307 4.053 ( -0.000 0.286 0.000) 0.286 4.077 ( -0.000 0.213 0.000) 0.213 4.336 ( 0.000 -0.346 0.000) 0.346 4.447 ( 0.000 -0.009 0.000) 0.009 4.482 ( 0.000 -1.574 0.000) 1.574 4.813 ( -0.000 0.659 0.000) 0.659 4.911 ( 0.000 -0.882 0.000) 0.882 4.962 ( -0.000 0.620 0.000) 0.620 5.107 ( 0.000 -0.224 0.000) 0.224 5.154 ( 0.000 -0.315 0.000) 0.315 5.267 ( -0.000 0.012 0.000) 0.012 5.306 ( 0.000 -0.382 0.000) 0.382 5.356 ( -0.000 0.312 0.000) 0.312 5.396 ( -0.000 0.857 0.000) 0.857 5.421 ( 0.000 -0.773 0.000) 0.773 5.545 ( -0.000 0.166 0.000) 0.166 5.633 ( -0.000 0.987 0.000) 0.987 5.734 ( 0.000 -0.092 0.000) 0.092 5.751 ( -0.000 0.152 0.000) 0.152 5.759 ( 0.000 -0.062 0.000) 0.062 5.807 ( 0.000 -0.479 0.000) 0.479 5.815 ( -0.000 0.135 0.000) 0.135 5.850 ( -0.000 0.172 0.000) 0.172 5.972 ( -0.000 0.454 0.000) 0.454 6.162 ( -0.000 0.039 0.000) 0.039 6.182 ( -0.000 0.039 0.000) 0.039 6.197 ( -0.000 0.462 0.000) 0.462 6.317 ( 0.000 -1.076 0.000) 1.076 ======================= Grid point 175 (50/98) ======================= q-point: ( 0.00 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 98 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.406 ( 0.000 0.000 19.150) 19.150 0.407 ( 0.000 0.000 19.475) 19.475 0.750 ( 0.000 0.000 -14.068) 14.068 0.752 ( 0.000 0.000 14.009) 14.009 0.780 ( 0.000 0.000 5.904) 5.904 1.373 ( 0.000 0.000 -23.085) 23.085 1.522 ( 0.000 0.000 7.044) 7.044 1.584 ( 0.000 0.000 9.782) 9.782 1.662 ( 0.000 0.000 -6.293) 6.293 1.761 ( 0.000 0.000 -6.652) 6.652 1.874 ( 0.000 0.000 3.340) 3.340 1.930 ( 0.000 0.000 -2.012) 2.012 2.015 ( 0.000 0.000 1.490) 1.490 2.061 ( 0.000 0.000 -2.644) 2.644 2.282 ( 0.000 0.000 0.926) 0.926 2.282 ( 0.000 0.000 0.981) 0.981 2.411 ( 0.000 0.000 0.196) 0.196 2.418 ( 0.000 0.000 -0.492) 0.492 2.500 ( 0.000 0.000 5.990) 5.990 2.561 ( 0.000 0.000 2.735) 2.735 2.623 ( 0.000 0.000 -2.947) 2.947 2.650 ( 0.000 0.000 -5.762) 5.762 2.702 ( 0.000 0.000 0.189) 0.189 2.736 ( 0.000 0.000 -4.771) 4.771 2.796 ( 0.000 0.000 9.402) 9.402 2.880 ( 0.000 0.000 2.032) 2.032 2.918 ( 0.000 0.000 -1.470) 1.470 3.026 ( 0.000 0.000 -10.791) 10.791 3.244 ( 0.000 0.000 2.518) 2.518 3.305 ( 0.000 0.000 -2.410) 2.410 3.421 ( 0.000 0.000 2.816) 2.816 3.503 ( 0.000 0.000 -4.206) 4.206 3.631 ( 0.000 0.000 4.801) 4.801 3.710 ( 0.000 0.000 -0.856) 0.856 3.854 ( 0.000 0.000 6.040) 6.040 3.921 ( 0.000 0.000 -0.497) 0.497 3.953 ( 0.000 0.000 0.089) 0.089 3.956 ( 0.000 0.000 -0.284) 0.284 4.012 ( 0.000 0.000 0.980) 0.980 4.031 ( 0.000 0.000 -0.780) 0.780 4.564 ( 0.000 0.000 3.632) 3.632 4.579 ( 0.000 0.000 2.036) 2.036 4.622 ( 0.000 0.000 -1.090) 1.090 4.626 ( 0.000 0.000 -1.601) 1.601 4.836 ( 0.000 0.000 -2.184) 2.184 4.861 ( 0.000 0.000 -4.913) 4.913 5.129 ( 0.000 0.000 2.768) 2.768 5.190 ( 0.000 0.000 -3.229) 3.229 5.285 ( 0.000 0.000 0.912) 0.912 5.292 ( 0.000 0.000 -0.009) 0.009 5.331 ( 0.000 0.000 1.994) 1.994 5.373 ( 0.000 0.000 -1.735) 1.735 5.417 ( 0.000 0.000 4.430) 4.430 5.503 ( 0.000 0.000 -3.748) 3.748 5.646 ( 0.000 0.000 3.580) 3.580 5.712 ( 0.000 0.000 -2.759) 2.759 5.763 ( 0.000 0.000 0.267) 0.267 5.770 ( 0.000 0.000 -0.442) 0.442 5.792 ( 0.000 0.000 0.613) 0.613 5.803 ( 0.000 0.000 -0.453) 0.453 5.804 ( 0.000 0.000 2.697) 2.697 5.863 ( 0.000 0.000 -2.702) 2.702 6.160 ( 0.000 0.000 0.436) 0.436 6.169 ( 0.000 0.000 -0.421) 0.421 6.546 ( 0.000 0.000 0.463) 0.463 6.554 ( 0.000 0.000 -0.264) 0.264 ======================= Grid point 176 (51/98) ======================= q-point: ( 0.08 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 254 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.566 ( 14.047 -1.199 13.468) 19.497 0.672 ( 14.944 -3.338 16.031) 22.169 0.855 ( 8.513 -0.934 -13.001) 15.568 0.959 ( 16.191 -3.098 -11.979) 20.378 1.001 ( 23.294 -6.799 20.483) 31.755 1.364 ( 3.515 -1.196 -8.026) 8.843 1.597 ( 2.962 1.640 7.294) 8.042 1.693 ( 10.028 -2.840 -5.662) 11.861 1.764 ( 9.186 -0.454 -3.645) 9.893 1.791 ( 4.820 -0.192 -4.361) 6.503 1.953 ( 6.957 0.604 2.760) 7.508 2.002 ( 6.391 1.090 -1.796) 6.727 2.015 ( 1.309 0.219 1.639) 2.109 2.062 ( 0.985 0.483 -2.395) 2.635 2.230 ( -3.730 -0.202 1.072) 3.886 2.239 ( -3.341 -0.264 0.310) 3.366 2.432 ( 1.106 0.020 -0.162) 1.118 2.434 ( 1.987 -0.211 -0.466) 2.051 2.506 ( 0.761 -1.034 5.043) 5.204 2.591 ( 0.622 0.250 -0.713) 0.979 2.688 ( 0.258 0.549 -0.682) 0.913 2.705 ( 0.812 -0.228 -1.862) 2.044 2.714 ( 5.318 -0.640 -0.826) 5.420 2.741 ( 8.909 0.259 -4.597) 10.028 2.807 ( 1.388 -0.537 8.254) 8.388 2.916 ( 3.071 0.895 1.375) 3.482 2.934 ( 1.807 -0.469 -1.513) 2.404 3.045 ( 1.978 -0.301 -9.108) 9.325 3.217 ( 0.094 2.493 2.011) 3.205 3.288 ( 0.219 4.500 -2.630) 5.216 3.437 ( 0.198 -4.830 3.179) 5.786 3.517 ( -0.006 -2.671 -3.545) 4.439 3.623 ( -0.585 -0.785 4.243) 4.355 3.684 ( -0.375 -0.485 1.317) 1.453 3.817 ( -3.014 0.695 5.348) 6.179 3.873 ( -4.010 0.888 -0.465) 4.134 4.015 ( 3.788 -0.319 1.100) 3.957 4.029 ( 5.042 -0.289 -0.044) 5.051 4.086 ( 6.011 -0.204 2.864) 6.661 4.227 ( 12.204 1.031 -12.667) 17.620 4.554 ( 1.250 4.581 2.143) 5.210 4.594 ( -0.302 3.434 -0.550) 3.491 4.605 ( 0.409 -3.874 1.447) 4.155 4.636 ( -0.751 -3.062 -0.680) 3.226 4.811 ( -1.933 1.057 -1.539) 2.687 4.841 ( -2.081 -0.514 -4.156) 4.676 5.136 ( 0.405 -0.684 2.303) 2.437 5.190 ( -0.044 -0.204 -2.934) 2.942 5.284 ( -0.059 -0.134 0.959) 0.970 5.294 ( 0.223 0.016 -0.193) 0.295 5.328 ( -0.072 0.852 2.124) 2.289 5.368 ( -0.698 -0.397 -1.362) 1.581 5.396 ( -2.515 -1.003 5.357) 6.003 5.484 ( -3.204 0.264 -0.183) 3.220 5.500 ( -8.192 -1.648 6.389) 10.519 5.614 ( -3.711 -0.268 1.520) 4.019 5.636 ( -8.119 0.001 -2.082) 8.382 5.685 ( -2.370 0.123 -3.294) 4.060 5.817 ( 2.274 0.663 0.887) 2.529 5.826 ( 1.959 -0.515 0.072) 2.027 5.954 ( 5.008 0.145 0.370) 5.024 5.995 ( 6.363 0.097 -4.171) 7.609 6.173 ( 1.066 -0.013 1.100) 1.532 6.194 ( 2.045 0.062 -0.965) 2.262 6.465 ( -4.167 3.345 4.824) 7.198 6.512 ( -2.516 1.547 -0.725) 3.041 ======================= Grid point 177 (52/98) ======================= q-point: ( 0.15 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 254 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.885 ( 17.868 -0.124 7.665) 19.442 0.953 ( 13.463 -4.054 12.573) 18.862 1.075 ( 13.418 -0.499 -7.988) 15.623 1.230 ( 10.097 -2.595 -11.755) 15.712 1.557 ( 25.941 -3.195 4.874) 26.587 1.576 ( 15.522 -1.096 3.437) 15.936 1.677 ( 6.568 0.976 6.107) 9.022 1.813 ( 5.587 -0.313 -5.196) 7.636 1.950 ( 8.313 0.172 -1.151) 8.394 1.994 ( 8.135 0.323 -2.855) 8.628 2.000 ( 3.509 0.610 -0.460) 3.592 2.054 ( 1.550 0.775 -3.700) 4.085 2.125 ( 5.077 -0.415 3.819) 6.367 2.178 ( 2.651 -0.072 -1.284) 2.946 2.212 ( 5.623 0.147 0.879) 5.693 2.223 ( 7.275 -0.499 0.206) 7.295 2.452 ( 0.893 -0.284 0.586) 1.105 2.473 ( 1.697 -0.877 -1.485) 2.420 2.559 ( 4.202 -2.011 2.671) 5.370 2.606 ( 1.557 -0.493 -0.044) 1.634 2.697 ( 1.798 0.500 -1.550) 2.426 2.717 ( 1.436 -1.005 -3.979) 4.348 2.828 ( 3.985 -0.825 6.518) 7.684 2.880 ( 6.484 1.642 1.554) 6.867 2.948 ( 10.502 -0.359 -4.355) 11.375 2.954 ( 2.699 0.788 -0.820) 2.928 3.014 ( 5.374 -0.812 0.813) 5.495 3.100 ( 3.337 -0.657 -6.349) 7.202 3.223 ( 1.699 2.866 -0.439) 3.361 3.280 ( 1.082 2.735 -2.741) 4.021 3.464 ( -0.209 -3.892 2.582) 4.675 3.527 ( -0.100 -1.005 -2.415) 2.618 3.620 ( -0.461 -0.463 4.317) 4.367 3.693 ( 0.386 -0.518 0.358) 0.738 3.742 ( -3.983 0.786 4.149) 5.805 3.765 ( -6.287 0.487 1.079) 6.398 4.103 ( 4.759 -1.067 0.975) 4.973 4.122 ( 4.732 -1.105 -0.829) 4.929 4.219 ( 6.317 -0.274 4.980) 8.049 4.359 ( 3.493 1.043 -8.503) 9.252 4.576 ( 1.928 2.744 -0.166) 3.358 4.577 ( 1.499 2.178 1.228) 2.915 4.628 ( -0.250 -0.818 -0.380) 0.936 4.638 ( 0.080 -2.137 -0.464) 2.189 4.766 ( -2.185 -0.435 -0.223) 2.239 4.804 ( -1.602 -0.716 -2.693) 3.214 5.144 ( 0.073 0.170 1.651) 1.661 5.189 ( -0.165 0.353 -2.607) 2.636 5.286 ( 0.326 0.391 1.143) 1.251 5.300 ( 0.436 0.854 -0.223) 0.984 5.321 ( -0.545 0.829 2.356) 2.557 5.335 ( -1.295 -0.287 4.866) 5.044 5.366 ( -0.599 0.324 0.258) 0.728 5.411 ( -2.074 -1.861 3.056) 4.136 5.456 ( -1.976 -0.747 -3.191) 3.827 5.479 ( -6.276 -0.643 -3.387) 7.161 5.568 ( -2.358 0.204 2.697) 3.588 5.634 ( -2.623 0.251 -3.466) 4.354 5.841 ( 0.720 1.015 1.695) 2.103 5.863 ( 1.007 -0.595 -0.262) 1.198 6.039 ( 4.087 -0.007 1.110) 4.235 6.083 ( 3.626 -0.203 -3.161) 4.815 6.194 ( 1.082 0.070 1.583) 1.919 6.228 ( 1.294 0.284 -1.592) 2.071 6.398 ( -1.515 2.668 3.918) 4.976 6.455 ( -2.118 1.949 -1.600) 3.293 ======================= Grid point 178 (53/98) ======================= q-point: ( 0.23 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 254 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.219 ( 16.406 0.642 5.075) 17.185 1.230 ( 13.470 -2.696 6.512) 15.203 1.346 ( 14.469 0.709 -3.921) 15.008 1.430 ( 9.959 -2.762 -7.529) 12.786 1.765 ( 6.203 2.198 2.517) 7.046 1.791 ( 7.282 2.195 0.934) 7.662 1.915 ( 6.360 4.177 0.095) 7.610 1.947 ( 6.005 3.180 -1.678) 6.999 2.001 ( 0.980 0.968 3.339) 3.612 2.076 ( 0.907 0.089 -1.643) 1.879 2.089 ( 6.152 1.654 1.034) 6.454 2.128 ( 3.970 4.405 -2.690) 6.511 2.210 ( 3.880 -2.303 0.185) 4.516 2.228 ( 6.239 -2.639 -1.354) 6.909 2.378 ( 7.103 0.609 4.741) 8.562 2.417 ( 8.100 -1.507 0.823) 8.280 2.477 ( 2.349 -1.386 2.470) 3.680 2.514 ( 1.716 -1.935 -1.400) 2.941 2.659 ( 4.978 -0.768 -1.001) 5.135 2.696 ( 6.898 -2.030 -4.004) 8.230 2.760 ( 5.736 -0.034 -0.879) 5.803 2.781 ( 4.961 -0.916 -3.521) 6.152 2.918 ( 5.379 0.761 4.662) 7.158 2.957 ( 3.971 2.383 0.549) 4.664 3.024 ( 2.910 -1.594 2.470) 4.136 3.099 ( 4.096 -0.593 -3.916) 5.698 3.155 ( 8.122 -2.004 -1.780) 8.553 3.187 ( 5.276 0.872 -4.965) 7.297 3.262 ( 4.638 0.012 -0.073) 4.638 3.300 ( 2.504 0.442 -1.881) 3.163 3.464 ( -1.535 -1.831 2.145) 3.211 3.519 ( -0.970 -0.363 -2.043) 2.291 3.592 ( -2.746 -0.282 2.203) 3.532 3.630 ( -5.389 -1.568 -1.341) 5.771 3.686 ( -1.384 0.168 4.947) 5.140 3.713 ( 0.485 1.199 3.571) 3.798 4.205 ( 4.897 -2.502 1.244) 5.638 4.229 ( 5.395 -2.248 -0.922) 5.917 4.312 ( 3.298 -0.374 3.179) 4.596 4.393 ( 1.009 0.275 -4.583) 4.701 4.567 ( -0.661 0.619 2.766) 2.911 4.626 ( 0.603 1.231 -2.653) 2.986 4.633 ( 1.644 0.930 -0.348) 1.920 4.646 ( 2.058 0.006 -0.791) 2.205 4.752 ( 0.124 -1.347 1.489) 2.011 4.787 ( -1.018 -1.332 -1.469) 2.229 5.136 ( -0.374 0.975 1.034) 1.470 5.175 ( -1.007 0.886 -2.674) 2.992 5.282 ( -0.642 1.510 0.912) 1.877 5.295 ( -0.445 1.534 -0.192) 1.609 5.314 ( 1.623 1.037 2.499) 3.155 5.346 ( 1.213 0.149 0.338) 1.268 5.353 ( -0.327 0.880 1.172) 1.502 5.398 ( -1.244 -0.229 -0.479) 1.353 5.407 ( 0.211 -0.448 0.763) 0.910 5.438 ( 0.126 0.048 -2.475) 2.479 5.536 ( -0.775 0.088 2.039) 2.183 5.591 ( -1.587 0.053 -2.827) 3.243 5.836 ( -0.525 1.039 1.890) 2.219 5.866 ( -0.766 -0.283 -0.846) 1.176 6.108 ( 2.895 -0.024 1.139) 3.111 6.141 ( 1.933 -0.585 -1.723) 2.655 6.211 ( 0.813 0.220 0.425) 0.943 6.235 ( -0.344 0.502 -1.431) 1.555 6.365 ( -0.663 2.081 2.971) 3.687 6.414 ( -1.215 1.774 -1.597) 2.678 ======================= Grid point 179 (54/98) ======================= q-point: ( 0.31 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 254 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.471 ( 10.613 -1.789 4.395) 11.626 1.497 ( 12.456 2.139 1.409) 12.717 1.600 ( 12.248 1.574 -1.349) 12.422 1.638 ( 10.034 -1.627 -3.976) 10.915 1.840 ( 3.101 3.136 2.199) 4.928 1.884 ( 2.702 3.200 -1.113) 4.334 1.954 ( 1.616 3.180 0.897) 3.678 1.986 ( 2.194 1.694 -1.781) 3.294 2.007 ( 0.077 1.154 3.709) 3.885 2.073 ( -0.111 1.357 -1.485) 2.014 2.122 ( 0.755 5.375 -0.830) 5.491 2.135 ( 1.010 5.002 -2.058) 5.502 2.290 ( 2.165 0.026 2.770) 3.516 2.330 ( 2.553 -0.141 -1.391) 2.910 2.454 ( 1.494 -1.516 4.286) 4.785 2.467 ( 0.038 -1.613 1.560) 2.245 2.528 ( 0.798 0.089 0.281) 0.851 2.562 ( 0.771 -0.948 1.544) 1.969 2.757 ( 3.152 -0.403 -6.725) 7.438 2.795 ( 3.680 0.265 -7.727) 8.562 2.865 ( 2.805 2.240 2.572) 4.416 2.918 ( 4.299 2.092 -2.092) 5.219 2.989 ( 0.769 -0.808 3.085) 3.281 3.039 ( 2.215 -1.306 -0.463) 2.612 3.093 ( 7.183 -0.902 3.392) 7.995 3.172 ( 5.668 -0.332 -2.772) 6.318 3.231 ( 1.835 -0.510 0.000) 1.904 3.269 ( 2.946 -0.183 -1.864) 3.491 3.371 ( 1.074 -3.546 0.423) 3.729 3.416 ( 2.260 -5.943 -3.462) 7.240 3.473 ( 7.003 0.070 1.703) 7.208 3.516 ( 2.934 0.312 -1.914) 3.517 3.581 ( 3.247 -2.616 0.664) 4.223 3.600 ( 1.063 -3.418 -0.742) 3.656 3.683 ( 1.376 1.826 5.768) 6.205 3.717 ( 1.413 3.130 3.221) 4.708 4.307 ( 3.621 -2.769 2.023) 4.987 4.339 ( 4.117 -2.731 -0.539) 4.970 4.361 ( 2.113 -1.400 1.088) 2.759 4.407 ( 0.701 -0.334 -3.239) 3.331 4.556 ( 0.191 0.792 1.936) 2.101 4.602 ( -0.819 1.233 -2.455) 2.867 4.680 ( 1.892 -0.046 0.216) 1.905 4.693 ( 2.191 -0.293 -0.773) 2.342 4.765 ( 0.423 -0.537 0.689) 0.971 4.775 ( -0.859 -0.964 -0.061) 1.293 5.127 ( 0.344 1.482 0.270) 1.545 5.146 ( -1.139 1.487 -1.410) 2.345 5.260 ( -0.254 2.526 -0.134) 2.542 5.271 ( -0.922 2.433 -0.975) 2.778 5.328 ( -0.773 1.795 1.044) 2.215 5.334 ( 0.143 1.729 0.520) 1.811 5.386 ( 2.979 0.366 1.160) 3.218 5.400 ( 1.999 -0.027 0.570) 2.079 5.463 ( 3.978 0.421 -0.457) 4.026 5.475 ( 4.425 -0.125 -0.999) 4.538 5.537 ( 0.692 -0.128 1.727) 1.865 5.575 ( -0.153 -0.337 -1.711) 1.750 5.816 ( -0.799 0.909 1.534) 1.954 5.845 ( -1.277 -0.033 -1.065) 1.663 6.134 ( -0.941 0.198 1.196) 1.534 6.153 ( -0.844 -0.608 -0.352) 1.098 6.208 ( -1.701 0.857 -0.371) 1.940 6.224 ( 0.447 0.268 -2.065) 2.130 6.348 ( -0.202 1.280 2.490) 2.807 6.386 ( -0.814 1.398 -1.215) 2.023 ======================= Grid point 180 (55/98) ======================= q-point: ( 0.38 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 254 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.645 ( 6.927 0.078 2.471) 7.354 1.669 ( 6.722 1.904 0.147) 6.988 1.773 ( 5.773 2.425 -0.051) 6.262 1.797 ( 4.493 1.249 -1.928) 5.046 1.851 ( 1.532 3.045 0.479) 3.442 1.864 ( -0.652 2.986 -0.390) 3.081 1.961 ( 0.452 2.381 3.254) 4.057 1.998 ( -0.189 0.800 0.703) 1.081 2.005 ( -0.031 0.768 1.248) 1.466 2.062 ( -0.286 1.489 -1.519) 2.146 2.137 ( 3.727 1.887 -1.632) 4.485 2.153 ( 3.047 1.760 -1.660) 3.891 2.302 ( 0.167 1.248 3.521) 3.739 2.343 ( -0.105 0.954 -0.655) 1.162 2.468 ( -0.077 -1.046 0.325) 1.098 2.477 ( -0.029 -1.070 0.430) 1.153 2.530 ( -0.558 -0.321 1.129) 1.300 2.552 ( -1.322 -0.143 0.547) 1.438 2.789 ( 0.576 0.897 -3.740) 3.889 2.842 ( 0.619 1.210 -6.601) 6.740 2.856 ( -1.018 1.881 1.115) 2.412 2.887 ( -3.570 1.492 -0.600) 3.916 2.951 ( -2.594 0.001 0.245) 2.606 3.005 ( -3.627 0.793 -4.150) 5.569 3.218 ( 1.715 -0.393 3.489) 3.908 3.233 ( -1.846 -2.381 2.076) 3.659 3.327 ( 4.181 -1.678 -0.740) 4.566 3.341 ( 7.065 -0.702 -2.658) 7.581 3.406 ( 2.559 -3.981 3.218) 5.723 3.475 ( 2.479 -4.309 -2.589) 5.604 3.572 ( 2.096 -0.447 0.123) 2.147 3.579 ( 2.809 0.036 -0.041) 2.809 3.677 ( 2.740 1.129 3.013) 4.226 3.685 ( 2.355 1.128 1.803) 3.173 3.780 ( 9.805 -0.606 1.693) 9.968 3.798 ( 9.357 -1.032 0.117) 9.414 4.345 ( -0.093 -0.817 2.708) 2.830 4.404 ( 0.437 -0.998 -1.971) 2.252 4.410 ( 1.915 -2.920 1.048) 3.646 4.444 ( 2.521 -2.342 -1.459) 3.738 4.569 ( 1.470 0.852 -0.075) 1.701 4.587 ( -0.117 0.969 -1.786) 2.035 4.698 ( -0.126 -0.570 0.299) 0.655 4.719 ( 0.138 -0.228 -1.424) 1.449 4.774 ( 0.781 -0.622 0.982) 1.401 4.781 ( 1.122 -0.296 0.353) 1.213 5.120 ( -0.705 1.596 0.003) 1.745 5.127 ( -0.076 1.787 -0.687) 1.916 5.241 ( -0.358 2.870 -0.093) 2.894 5.245 ( 0.430 2.887 -0.510) 2.963 5.295 ( -1.221 1.426 1.761) 2.574 5.334 ( 0.355 1.115 -1.880) 2.214 5.438 ( 2.966 0.495 0.805) 3.113 5.456 ( 2.821 -0.057 -0.636) 2.892 5.545 ( 3.525 0.412 1.346) 3.796 5.552 ( 1.563 -0.056 0.991) 1.852 5.579 ( 4.250 -0.807 0.558) 4.362 5.612 ( 5.649 -0.342 -1.670) 5.901 5.799 ( -0.543 0.661 1.141) 1.426 5.823 ( -0.936 0.089 -1.046) 1.407 6.072 ( -4.767 0.211 1.331) 4.954 6.102 ( -4.648 0.010 -1.414) 4.858 6.178 ( -0.891 0.796 1.370) 1.818 6.223 ( -0.429 0.292 -2.944) 2.989 6.339 ( -0.330 0.542 1.993) 2.092 6.366 ( -0.691 0.847 -0.685) 1.290 ======================= Grid point 181 (56/98) ======================= q-point: ( 0.46 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 254 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.720 ( 0.831 1.789 0.431) 2.019 1.726 ( 0.984 1.097 0.125) 1.479 1.802 ( 1.626 0.628 1.339) 2.198 1.821 ( 2.009 0.026 -0.142) 2.014 1.850 ( -1.387 1.334 1.038) 2.186 1.868 ( -0.926 1.561 -0.604) 1.913 1.984 ( 2.507 0.494 2.483) 3.562 1.997 ( 1.653 0.810 -0.393) 1.883 2.009 ( -0.098 -0.020 1.848) 1.851 2.041 ( -1.530 0.726 -1.007) 1.970 2.199 ( 1.882 -0.757 -1.533) 2.543 2.207 ( 2.000 -0.419 -0.492) 2.102 2.302 ( 0.721 1.329 2.391) 2.829 2.332 ( -0.363 0.958 -0.327) 1.075 2.469 ( -0.168 -0.053 -0.922) 0.938 2.479 ( -0.100 -0.575 -1.093) 1.239 2.521 ( -0.328 -0.760 0.842) 1.181 2.529 ( -0.829 0.217 0.263) 0.896 2.779 ( -0.573 0.832 -0.253) 1.041 2.800 ( -1.815 0.514 0.703) 2.013 2.817 ( -2.113 0.788 0.109) 2.258 2.843 ( -0.812 -0.018 -6.105) 6.159 2.923 ( -0.689 0.432 -0.221) 0.843 2.965 ( 0.019 0.623 -5.775) 5.808 3.209 ( -1.066 -1.343 0.759) 1.876 3.215 ( -0.977 -1.004 0.041) 1.402 3.405 ( 2.135 -1.013 1.639) 2.876 3.416 ( 1.384 0.035 0.579) 1.501 3.481 ( 2.341 -1.353 3.250) 4.228 3.517 ( 0.160 -1.233 0.443) 1.320 3.606 ( 1.021 -0.371 -0.273) 1.120 3.619 ( 1.118 -0.179 -0.436) 1.214 3.700 ( 1.018 1.259 1.798) 2.420 3.714 ( 1.373 1.425 1.063) 2.247 3.935 ( 4.420 -0.604 1.040) 4.581 3.954 ( 4.645 -0.939 -0.550) 4.771 4.339 ( -0.477 -0.316 3.111) 3.163 4.398 ( -0.576 -0.127 -1.929) 2.017 4.452 ( 0.849 -1.517 2.090) 2.718 4.489 ( 0.919 -1.040 -0.721) 1.564 4.580 ( 0.131 0.631 -1.972) 2.075 4.596 ( 1.027 0.206 -3.241) 3.406 4.691 ( -0.538 -0.291 0.839) 1.039 4.711 ( -0.542 0.119 -0.725) 0.913 4.799 ( 0.948 -0.560 1.148) 1.590 4.811 ( 1.232 -0.493 -0.072) 1.329 5.100 ( -0.483 0.962 -0.169) 1.090 5.102 ( -0.919 1.251 -0.333) 1.588 5.227 ( 0.411 1.292 0.837) 1.594 5.241 ( -0.607 1.135 -0.114) 1.292 5.290 ( 1.576 0.427 0.975) 1.902 5.324 ( -1.150 0.266 -1.822) 2.171 5.484 ( 1.546 0.133 -0.043) 1.552 5.494 ( 1.044 0.042 -1.015) 1.457 5.570 ( 0.464 -0.075 1.077) 1.175 5.574 ( 0.630 -0.055 0.657) 0.912 5.699 ( 6.015 -0.384 1.590) 6.234 5.728 ( 4.108 -0.199 -0.970) 4.225 5.789 ( -0.222 0.322 0.923) 1.002 5.810 ( -0.364 0.107 -0.995) 1.065 5.976 ( -3.795 0.220 0.969) 3.923 6.002 ( -4.803 0.103 -1.330) 4.985 6.160 ( -0.528 0.343 1.640) 1.757 6.211 ( -0.435 0.147 -3.237) 3.269 6.331 ( -0.278 0.153 1.818) 1.846 6.352 ( -0.327 0.260 -0.459) 0.621 ======================= Grid point 189 (57/98) ======================= q-point: ( 0.08 0.08 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.886 ( 18.437 -0.000 7.373) 19.856 0.930 ( 13.949 -0.000 13.078) 19.121 1.073 ( 13.837 -0.000 -7.559) 15.767 1.215 ( 10.394 -0.000 -11.776) 15.707 1.535 ( 29.764 -0.000 6.499) 30.465 1.570 ( 15.709 -0.000 3.588) 16.113 1.685 ( 6.011 -0.000 4.645) 7.596 1.811 ( 5.985 -0.000 -5.751) 8.300 1.951 ( 8.706 -0.000 -1.645) 8.860 1.991 ( 11.603 -0.000 -5.138) 12.690 2.006 ( 0.529 -0.000 1.514) 1.604 2.058 ( 0.849 -0.000 -3.418) 3.522 2.123 ( 4.567 -0.000 4.082) 6.125 2.178 ( 1.822 -0.000 -1.174) 2.168 2.214 ( 5.981 -0.000 0.407) 5.995 2.219 ( 8.167 -0.000 0.464) 8.181 2.450 ( 0.721 -0.000 0.494) 0.875 2.468 ( 1.517 -0.000 -1.257) 1.970 2.547 ( 4.211 -0.000 2.970) 5.152 2.603 ( 1.181 -0.000 -0.294) 1.217 2.701 ( 1.522 -0.000 -1.743) 2.314 2.710 ( 1.754 -0.000 -3.846) 4.227 2.822 ( 4.271 -0.000 6.800) 8.030 2.890 ( 6.822 -0.000 2.885) 7.407 2.940 ( 8.544 -0.000 -4.496) 9.655 2.966 ( 3.596 -0.000 -2.191) 4.211 3.008 ( 5.786 -0.000 1.019) 5.875 3.096 ( 3.479 -0.000 -6.314) 7.209 3.240 ( 1.281 -0.000 -1.284) 1.813 3.297 ( -0.253 0.000 -3.693) 3.701 3.439 ( 0.926 -0.000 4.444) 4.539 3.521 ( 0.385 -0.000 -2.818) 2.845 3.618 ( -0.117 0.000 4.404) 4.406 3.690 ( 0.818 -0.000 0.552) 0.987 3.747 ( -4.268 0.000 4.291) 6.052 3.768 ( -6.808 0.000 1.221) 6.917 4.097 ( 4.570 -0.000 0.915) 4.661 4.116 ( 4.545 -0.000 -0.882) 4.630 4.217 ( 6.346 -0.000 5.163) 8.181 4.365 ( 3.080 -0.000 -9.027) 9.538 4.591 ( -1.194 0.000 1.989) 2.320 4.601 ( 1.979 -0.000 -0.639) 2.080 4.613 ( 1.719 -0.000 -0.032) 1.719 4.623 ( 0.822 -0.000 -1.326) 1.560 4.764 ( -2.559 0.000 -0.217) 2.569 4.801 ( -1.733 0.000 -2.602) 3.126 5.145 ( 0.351 -0.000 1.694) 1.730 5.191 ( -0.036 0.000 -2.719) 2.719 5.287 ( 0.411 -0.000 1.091) 1.166 5.304 ( 0.673 -0.000 -0.693) 0.966 5.330 ( -1.892 0.000 6.462) 6.734 5.331 ( 0.159 -0.000 1.594) 1.602 5.367 ( -0.400 0.000 0.541) 0.673 5.400 ( -1.621 0.000 3.090) 3.489 5.451 ( -1.950 0.000 -3.196) 3.744 5.476 ( -6.031 0.000 -3.838) 7.149 5.569 ( -2.386 0.000 2.795) 3.674 5.635 ( -2.655 0.000 -3.458) 4.359 5.848 ( 0.603 -0.000 1.281) 1.416 5.858 ( 1.171 -0.000 0.392) 1.235 6.039 ( 4.042 -0.000 0.997) 4.163 6.082 ( 3.530 -0.000 -3.192) 4.760 6.194 ( 1.108 -0.000 1.654) 1.991 6.229 ( 1.323 -0.000 -1.646) 2.112 6.413 ( -2.052 0.000 3.685) 4.218 6.466 ( -2.376 0.000 -1.431) 2.774 ======================= Grid point 190 (58/98) ======================= q-point: ( 0.15 0.08 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 254 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.203 ( 13.814 -1.165 8.127) 16.069 1.234 ( 17.268 0.622 3.503) 17.631 1.353 ( 14.945 0.421 -3.714) 15.405 1.410 ( 10.409 -1.005 -7.082) 12.630 1.782 ( 6.411 0.786 2.320) 6.864 1.808 ( 6.974 0.849 0.365) 7.035 1.951 ( 6.000 2.133 0.778) 6.415 1.971 ( 7.779 0.846 -0.641) 7.851 2.008 ( 0.364 0.509 2.408) 2.488 2.078 ( 1.542 0.288 -3.055) 3.434 2.095 ( 10.430 -0.321 2.460) 10.721 2.166 ( 6.796 2.342 -3.043) 7.806 2.194 ( 2.631 -0.530 -0.795) 2.799 2.200 ( 4.695 -2.108 -1.100) 5.263 2.387 ( 6.282 0.790 4.001) 7.489 2.403 ( 8.606 -0.924 1.792) 8.839 2.465 ( 1.730 -0.709 2.597) 3.200 2.500 ( 1.697 -0.630 -1.305) 2.232 2.654 ( 4.764 -0.211 -0.909) 4.854 2.678 ( 8.259 -1.019 -3.782) 9.141 2.759 ( 5.396 -0.007 -1.646) 5.641 2.773 ( 4.902 -0.439 -3.717) 6.168 2.922 ( 6.000 0.064 6.722) 9.011 2.984 ( 3.273 2.221 1.602) 4.267 3.007 ( 2.569 -1.597 1.904) 3.574 3.095 ( 4.678 -0.190 -6.960) 8.388 3.141 ( 7.613 -0.615 -0.454) 7.651 3.193 ( 6.004 0.269 -4.567) 7.548 3.265 ( 2.349 0.262 -1.315) 2.705 3.302 ( 1.538 0.075 -2.700) 3.108 3.449 ( -0.324 -0.737 3.580) 3.670 3.517 ( -0.771 -0.110 -2.252) 2.383 3.589 ( -3.559 -0.183 1.598) 3.906 3.617 ( -6.764 -0.675 -1.005) 6.872 3.688 ( -0.826 0.110 5.796) 5.856 3.723 ( 1.258 0.483 3.641) 3.882 4.186 ( 4.578 -0.907 1.129) 4.802 4.211 ( 5.249 -0.828 -1.206) 5.450 4.309 ( 3.245 -0.122 3.419) 4.715 4.394 ( 0.754 0.062 -4.730) 4.791 4.571 ( -0.777 0.121 2.957) 3.060 4.633 ( -0.288 0.189 -2.932) 2.952 4.642 ( 2.153 0.502 -0.744) 2.333 4.647 ( 2.000 0.087 -0.720) 2.128 4.742 ( 0.395 -0.491 1.618) 1.736 4.778 ( -0.879 -0.433 -1.373) 1.687 5.144 ( -0.202 0.376 0.957) 1.048 5.182 ( -0.853 0.329 -2.705) 2.856 5.294 ( -0.011 0.578 0.873) 1.047 5.305 ( -0.340 0.302 0.696) 0.831 5.329 ( 1.531 1.430 1.966) 2.873 5.342 ( 1.145 -0.835 1.281) 1.911 5.362 ( -0.242 0.489 0.523) 0.756 5.396 ( -1.548 -0.184 -0.635) 1.683 5.403 ( 1.652 -0.222 0.717) 1.814 5.438 ( 0.182 0.032 -2.799) 2.805 5.537 ( -0.855 0.039 2.104) 2.271 5.591 ( -1.736 0.031 -2.829) 3.319 5.845 ( -0.612 0.588 1.472) 1.699 5.862 ( -0.648 -0.305 -0.122) 0.727 6.108 ( 2.970 -0.007 0.823) 3.082 6.137 ( 1.850 -0.236 -1.686) 2.514 6.213 ( 0.852 0.072 0.602) 1.046 6.239 ( -0.307 0.189 -1.523) 1.565 6.382 ( -1.133 0.786 2.828) 3.146 6.427 ( -1.521 0.652 -1.481) 2.221 ======================= Grid point 191 (59/98) ======================= q-point: ( 0.23 0.08 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 254 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.455 ( 11.581 -1.029 5.048) 12.675 1.513 ( 11.931 0.828 0.247) 11.962 1.615 ( 12.374 1.099 -1.589) 12.524 1.627 ( 11.356 -0.513 -2.648) 11.672 1.866 ( 3.443 1.644 2.087) 4.348 1.911 ( 3.369 1.743 -1.680) 4.149 1.982 ( 0.333 1.924 0.442) 2.002 1.998 ( 0.171 0.593 -1.074) 1.239 2.015 ( 0.455 0.426 3.872) 3.921 2.088 ( 0.292 1.122 -2.246) 2.528 2.174 ( -0.160 3.760 -1.385) 4.010 2.183 ( 0.117 3.444 -2.083) 4.026 2.293 ( 3.674 0.415 1.967) 4.188 2.323 ( 3.812 -0.913 -1.253) 4.115 2.440 ( 0.826 -0.957 5.202) 5.353 2.453 ( 0.244 -0.918 2.079) 2.286 2.529 ( 0.962 -0.007 -0.302) 1.008 2.552 ( 1.807 -0.764 1.695) 2.593 2.754 ( 3.680 -0.159 -6.303) 7.301 2.797 ( 4.410 0.165 -7.958) 9.100 2.886 ( 3.850 1.349 2.584) 4.829 2.932 ( 7.398 0.507 -1.454) 7.556 2.983 ( -0.614 -0.185 3.537) 3.594 3.028 ( 1.833 -0.762 0.196) 1.995 3.086 ( 8.183 -0.429 4.039) 9.135 3.170 ( 3.310 -0.019 -1.186) 3.516 3.226 ( 0.963 -0.397 -0.579) 1.191 3.269 ( 4.413 0.200 -2.455) 5.054 3.342 ( 0.071 -1.729 -1.935) 2.595 3.361 ( 0.903 -3.839 -3.567) 5.318 3.477 ( 6.831 0.409 1.557) 7.018 3.519 ( 3.234 0.138 -1.837) 3.722 3.555 ( 2.158 -1.845 -0.080) 2.840 3.565 ( 1.016 -2.634 -1.001) 2.995 3.702 ( 2.259 1.432 6.901) 7.401 3.745 ( 1.750 1.827 3.570) 4.376 4.280 ( 4.186 -1.912 1.832) 4.953 4.315 ( 4.231 -1.643 -1.113) 4.674 4.351 ( 1.515 -0.555 1.613) 2.281 4.404 ( 0.272 -0.235 -3.432) 3.451 4.564 ( 0.322 0.486 2.233) 2.308 4.613 ( -0.760 0.840 -2.604) 2.839 4.679 ( 1.416 -0.129 -0.085) 1.424 4.690 ( 2.059 -0.258 -0.740) 2.203 4.761 ( 0.849 -0.143 0.639) 1.072 4.767 ( -0.425 -0.485 0.277) 0.702 5.141 ( 0.410 0.914 0.174) 1.017 5.159 ( -0.995 0.925 -1.606) 2.103 5.281 ( -0.303 1.338 -0.114) 1.377 5.289 ( -0.843 1.022 -0.744) 1.520 5.344 ( -0.472 1.099 1.142) 1.654 5.348 ( -0.199 0.812 0.805) 1.160 5.389 ( 3.355 0.167 1.069) 3.525 5.401 ( 1.956 0.187 0.329) 1.992 5.468 ( 4.058 0.365 -0.587) 4.117 5.474 ( 4.326 -0.168 -0.876) 4.417 5.535 ( 0.548 -0.085 1.623) 1.715 5.572 ( -0.336 -0.223 -1.661) 1.709 5.825 ( -0.903 0.747 1.161) 1.650 5.844 ( -1.231 -0.219 -0.477) 1.338 6.136 ( -1.072 0.273 0.687) 1.302 6.147 ( -0.479 -0.555 -0.193) 0.758 6.215 ( -1.674 0.500 -0.481) 1.812 6.227 ( 0.471 0.109 -1.774) 1.839 6.360 ( -0.674 0.796 2.502) 2.710 6.399 ( -1.128 0.802 -1.235) 1.855 ======================= Grid point 192 (60/98) ======================= q-point: ( 0.31 0.08 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 254 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.644 ( 7.591 -0.118 3.012) 8.168 1.683 ( 6.421 0.697 -0.428) 6.473 1.796 ( 6.330 1.674 -0.468) 6.565 1.806 ( 6.302 0.666 -1.352) 6.480 1.883 ( -0.234 2.423 0.741) 2.545 1.895 ( -2.415 2.542 -0.438) 3.533 1.980 ( 0.525 0.783 1.241) 1.559 2.002 ( -0.274 0.161 1.145) 1.189 2.021 ( 0.385 2.053 1.760) 2.731 2.078 ( -0.586 1.185 -1.002) 1.658 2.156 ( 1.134 1.491 -1.875) 2.651 2.170 ( 0.704 1.286 -2.070) 2.536 2.320 ( 0.765 1.795 3.165) 3.718 2.354 ( 0.360 0.913 -0.444) 1.077 2.454 ( 0.214 -1.315 1.376) 1.915 2.465 ( 0.192 -1.125 1.069) 1.564 2.530 ( -0.706 0.198 0.264) 0.780 2.549 ( -1.366 -0.493 -0.049) 1.453 2.797 ( 0.970 0.702 -3.135) 3.356 2.850 ( 0.568 0.300 -7.522) 7.549 2.875 ( -2.657 1.661 1.939) 3.685 2.907 ( -3.383 2.096 -0.174) 3.984 2.951 ( -1.841 -0.145 0.665) 1.963 3.014 ( -4.168 0.642 -3.902) 5.746 3.203 ( -1.480 -2.774 2.271) 3.878 3.213 ( -0.254 -0.651 3.506) 3.575 3.303 ( 4.433 -2.252 -0.956) 5.063 3.340 ( 7.952 -0.288 -1.341) 8.070 3.373 ( 4.048 -1.489 1.219) 4.482 3.436 ( 4.323 -2.844 -2.691) 5.832 3.569 ( 2.132 -0.257 0.033) 2.148 3.577 ( 2.569 -0.345 -0.480) 2.636 3.682 ( 6.052 -0.363 1.459) 6.236 3.688 ( 4.589 -0.338 1.093) 4.729 3.781 ( 8.010 0.499 2.691) 8.465 3.797 ( 6.514 0.706 1.968) 6.841 4.336 ( 0.146 -0.686 2.405) 2.505 4.375 ( 2.550 -2.759 1.570) 4.072 4.398 ( 0.709 -0.509 -2.308) 2.468 4.421 ( 2.390 -1.836 -1.940) 3.584 4.579 ( 1.557 0.887 0.337) 1.824 4.600 ( -0.066 1.325 -1.793) 2.230 4.692 ( -0.044 -0.386 0.417) 0.570 4.718 ( 0.626 0.029 -1.538) 1.661 4.767 ( 0.536 -0.593 1.213) 1.452 4.778 ( 0.803 -0.236 0.173) 0.855 5.135 ( -0.889 1.216 -0.035) 1.507 5.143 ( -0.060 1.244 -0.796) 1.478 5.267 ( -0.664 1.840 -0.139) 1.961 5.271 ( 0.077 1.671 -0.498) 1.745 5.309 ( -1.967 1.019 1.653) 2.764 5.343 ( -0.256 0.541 -1.603) 1.712 5.444 ( 2.792 0.606 0.694) 2.940 5.456 ( 2.980 0.029 -0.264) 2.992 5.550 ( 2.792 0.348 0.816) 2.930 5.552 ( 1.377 -0.007 0.914) 1.653 5.571 ( 4.772 -0.707 0.886) 4.905 5.608 ( 5.782 -0.342 -1.673) 6.029 5.806 ( -0.663 0.683 0.879) 1.295 5.823 ( -0.927 -0.086 -0.639) 1.129 6.074 ( -4.702 0.157 1.169) 4.848 6.102 ( -4.468 -0.037 -1.365) 4.672 6.186 ( -1.077 0.552 1.138) 1.661 6.226 ( -0.469 0.178 -2.757) 2.803 6.345 ( -0.608 0.462 2.125) 2.259 6.374 ( -1.020 0.628 -0.794) 1.437 ======================= Grid point 193 (61/98) ======================= q-point: ( 0.38 0.08 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 254 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.735 ( 1.628 1.036 0.870) 2.117 1.744 ( 0.019 1.835 -0.128) 1.839 1.811 ( -0.575 0.947 0.727) 1.325 1.822 ( -0.388 0.360 -0.134) 0.546 1.859 ( -2.053 0.435 1.114) 2.376 1.879 ( -1.283 0.416 -0.651) 1.498 1.991 ( 1.722 0.621 2.267) 2.914 2.003 ( 0.766 0.114 0.069) 0.777 2.015 ( -0.234 1.290 1.433) 1.942 2.049 ( -2.042 0.622 -0.555) 2.205 2.193 ( 1.857 -0.274 -1.430) 2.360 2.206 ( 2.801 -0.065 -0.646) 2.875 2.316 ( -0.507 1.198 2.422) 2.749 2.343 ( -0.968 1.037 -0.222) 1.436 2.463 ( -0.258 -0.894 -1.052) 1.404 2.470 ( 0.024 -1.096 -0.909) 1.424 2.515 ( -0.047 -0.300 1.292) 1.328 2.533 ( -0.254 0.355 -0.251) 0.504 2.783 ( -1.523 -0.049 -0.166) 1.533 2.807 ( -2.730 0.681 1.010) 2.989 2.817 ( -2.697 -0.365 -1.165) 2.960 2.850 ( -1.052 1.342 -5.052) 5.332 2.925 ( -1.356 -0.051 -0.318) 1.393 2.962 ( -1.255 -1.338 -5.487) 5.785 3.195 ( 0.352 -0.958 0.587) 1.178 3.203 ( 0.270 -1.033 -0.167) 1.081 3.397 ( 3.194 -0.338 2.274) 3.936 3.420 ( 1.580 0.409 0.795) 1.815 3.474 ( 4.361 0.157 2.412) 4.986 3.508 ( 1.890 -0.328 -0.043) 1.919 3.602 ( 1.226 -0.286 0.025) 1.260 3.618 ( 1.379 -0.054 -0.652) 1.526 3.714 ( 0.008 1.266 2.071) 2.427 3.728 ( 0.129 0.925 1.119) 1.458 3.926 ( 4.734 -0.976 0.946) 4.925 3.942 ( 5.218 -1.257 -0.314) 5.377 4.332 ( -0.446 -0.852 2.900) 3.055 4.393 ( -0.608 -0.734 -2.275) 2.467 4.438 ( 2.417 -1.090 2.263) 3.486 4.478 ( 1.983 -1.013 -0.925) 2.411 4.592 ( -0.076 1.431 -1.870) 2.356 4.602 ( 1.003 0.832 -2.930) 3.207 4.689 ( -0.201 -0.091 1.149) 1.170 4.715 ( -0.406 0.607 -0.935) 1.186 4.790 ( 1.031 -1.070 1.225) 1.926 4.804 ( 1.362 -0.766 -0.136) 1.569 5.110 ( -1.200 0.798 -0.068) 1.442 5.115 ( -1.906 1.042 -0.544) 2.239 5.240 ( -0.873 1.046 0.876) 1.620 5.252 ( -2.048 0.855 0.298) 2.239 5.294 ( 1.359 0.334 0.571) 1.512 5.325 ( -1.575 0.023 -1.837) 2.420 5.486 ( 1.406 0.239 -0.055) 1.427 5.495 ( 0.955 0.012 -0.899) 1.312 5.569 ( 0.473 -0.217 1.078) 1.197 5.574 ( 0.689 -0.046 0.598) 0.913 5.695 ( 6.113 -0.329 1.666) 6.345 5.726 ( 4.307 -0.205 -1.081) 4.445 5.793 ( -0.390 0.475 0.820) 1.024 5.811 ( -0.417 0.006 -0.754) 0.862 5.979 ( -3.856 0.258 0.847) 3.956 6.003 ( -4.913 0.037 -1.275) 5.076 6.164 ( -0.873 0.272 1.532) 1.784 6.213 ( -0.591 0.081 -3.160) 3.216 6.332 ( -0.437 0.179 1.871) 1.930 6.355 ( -0.606 0.256 -0.503) 0.828 ======================= Grid point 194 (62/98) ======================= q-point: (-0.54 0.08 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 254 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.703 ( -2.515 -1.059 0.696) 2.816 1.718 ( -2.018 -0.447 -0.442) 2.114 1.797 ( -3.145 -0.276 1.919) 3.695 1.818 ( -3.324 -0.775 0.172) 3.417 1.830 ( 0.372 -2.184 0.763) 2.343 1.849 ( 0.825 -1.486 -0.767) 1.865 1.980 ( -2.996 -0.239 2.419) 3.858 1.990 ( -2.631 -0.320 0.092) 2.652 2.010 ( -0.028 0.232 1.677) 1.694 2.034 ( 1.097 -0.652 -1.214) 1.761 2.204 ( -1.596 0.389 -0.603) 1.750 2.220 ( -2.237 1.737 -1.184) 3.070 2.287 ( -1.476 -1.499 2.274) 3.098 2.323 ( -0.105 -0.587 -0.729) 0.942 2.463 ( 0.056 -0.932 -0.527) 1.072 2.480 ( 0.449 -0.508 -1.578) 1.717 2.529 ( 0.913 0.628 0.910) 1.434 2.532 ( 0.823 0.863 0.626) 1.348 2.768 ( -0.108 -0.942 0.181) 0.965 2.792 ( 1.130 -0.988 0.874) 1.737 2.803 ( 0.839 -1.458 -0.450) 1.741 2.847 ( 1.056 0.571 -5.997) 6.116 2.916 ( 0.270 -0.833 -1.040) 1.359 2.953 ( -0.117 -1.474 -5.975) 6.155 3.222 ( 1.735 0.914 0.804) 2.119 3.224 ( 1.573 0.750 0.523) 1.820 3.415 ( -1.825 0.651 2.172) 2.911 3.423 ( -0.429 1.104 0.428) 1.259 3.504 ( -0.697 2.726 3.251) 4.300 3.534 ( 1.847 1.923 0.655) 2.745 3.610 ( -0.624 0.416 -0.413) 0.856 3.622 ( -1.107 0.358 -0.121) 1.170 3.687 ( -2.115 -0.981 1.287) 2.663 3.698 ( -2.950 -1.436 1.031) 3.439 3.938 ( -3.837 -0.124 1.194) 4.020 3.961 ( -3.704 0.321 -0.804) 3.804 4.338 ( 0.602 -0.547 3.133) 3.237 4.395 ( 0.474 -0.731 -1.737) 1.943 4.471 ( 0.747 1.774 1.895) 2.701 4.499 ( 0.125 0.669 -0.216) 0.714 4.580 ( -0.644 0.670 -2.430) 2.601 4.599 ( -0.620 0.750 -3.410) 3.546 4.695 ( 0.772 0.401 0.675) 1.101 4.712 ( 0.625 0.336 -0.708) 1.002 4.801 ( -0.522 -0.096 1.300) 1.404 4.814 ( -0.856 0.051 -0.009) 0.857 5.088 ( -0.405 -1.207 -0.112) 1.278 5.090 ( -0.464 -0.884 -0.326) 1.050 5.213 ( -1.750 -1.219 0.830) 2.288 5.228 ( -0.838 -1.177 -0.358) 1.489 5.285 ( -1.978 -0.479 1.229) 2.378 5.320 ( 0.607 -0.429 -1.764) 1.915 5.483 ( -1.648 -0.008 -0.152) 1.655 5.494 ( -1.079 -0.083 -1.062) 1.516 5.570 ( -0.457 -0.106 1.200) 1.288 5.575 ( -0.570 0.074 0.609) 0.837 5.703 ( -5.868 0.340 1.476) 6.060 5.730 ( -3.874 0.127 -0.854) 3.969 5.787 ( 0.021 -0.075 0.911) 0.915 5.808 ( 0.276 -0.153 -1.065) 1.111 5.974 ( 3.629 -0.118 1.033) 3.775 6.000 ( 4.745 -0.149 -1.314) 4.926 6.156 ( 0.154 -0.339 1.716) 1.756 6.210 ( 0.271 -0.189 -3.333) 3.350 6.329 ( 0.124 -0.082 1.763) 1.769 6.350 ( 0.035 -0.197 -0.403) 0.450 ======================= Grid point 195 (63/98) ======================= q-point: (-0.46 0.08 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 254 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.635 ( -6.786 -2.663 1.256) 7.397 1.646 ( -6.528 -1.326 0.900) 6.722 1.746 ( -5.119 -2.419 0.791) 5.717 1.772 ( -2.351 -3.240 -0.582) 4.045 1.830 ( -2.799 -1.338 -0.921) 3.236 1.833 ( -1.851 -1.633 -0.603) 2.541 1.934 ( -1.217 -2.377 4.017) 4.824 1.981 ( 0.721 -2.086 -0.810) 2.351 2.002 ( -0.577 -0.083 2.554) 2.620 2.048 ( 0.006 -1.240 -1.448) 1.906 2.117 ( -6.569 -1.731 -1.408) 6.937 2.133 ( -5.190 -1.780 -1.893) 5.804 2.293 ( 0.666 -0.431 3.484) 3.573 2.336 ( 0.482 -0.359 -0.595) 0.846 2.472 ( 0.370 -0.420 -0.048) 0.562 2.487 ( 0.363 0.717 -0.647) 1.032 2.537 ( 0.402 1.015 1.758) 2.070 2.553 ( 1.286 0.176 1.395) 1.905 2.779 ( 0.192 -0.737 -3.856) 3.930 2.826 ( -0.777 -1.698 -5.373) 5.689 2.835 ( 1.578 -1.612 1.853) 2.920 2.874 ( 1.813 -0.994 -3.699) 4.238 2.950 ( 3.169 -0.186 -0.057) 3.175 2.998 ( 3.885 -0.501 -4.053) 5.637 3.224 ( -2.182 0.625 2.754) 3.569 3.250 ( 1.413 0.773 0.949) 1.869 3.337 ( -5.758 0.917 -0.110) 5.832 3.359 ( -5.436 1.935 -1.601) 5.988 3.450 ( -2.218 3.884 4.275) 6.187 3.528 ( -0.925 5.092 -2.523) 5.757 3.573 ( -3.306 -1.059 1.271) 3.697 3.580 ( -1.651 0.971 -0.245) 1.932 3.657 ( -2.120 -2.833 3.597) 5.046 3.668 ( -0.588 -1.219 1.384) 1.936 3.794 ( -9.923 1.711 1.179) 10.138 3.816 ( -9.689 2.092 -0.719) 9.938 4.351 ( 0.318 0.190 2.872) 2.896 4.407 ( -0.010 -0.283 -1.854) 1.876 4.446 ( -1.668 3.061 0.646) 3.545 4.471 ( -2.154 2.557 -0.932) 3.471 4.562 ( -1.144 -0.324 -0.298) 1.226 4.585 ( -0.181 0.840 -1.981) 2.159 4.704 ( 0.179 0.608 0.201) 0.665 4.723 ( -0.059 0.281 -1.398) 1.427 4.781 ( -0.602 0.757 0.871) 1.302 4.784 ( -1.297 0.386 0.589) 1.476 5.101 ( 0.627 -1.766 -0.068) 1.875 5.105 ( 0.337 -2.074 -0.507) 2.161 5.206 ( -0.303 -3.420 -0.049) 3.434 5.210 ( -1.320 -3.338 -0.453) 3.618 5.278 ( 0.371 -1.793 1.832) 2.590 5.319 ( -1.086 -1.515 -2.041) 2.764 5.434 ( -3.087 -0.255 0.767) 3.191 5.457 ( -2.568 0.123 -1.052) 2.778 5.541 ( -3.954 -0.419 1.938) 4.424 5.553 ( -1.657 0.102 0.988) 1.931 5.588 ( -3.992 0.771 0.267) 4.075 5.615 ( -5.669 0.214 -1.625) 5.901 5.792 ( 0.404 -0.482 1.293) 1.438 5.822 ( 0.932 -0.191 -1.330) 1.635 6.069 ( 4.831 -0.215 1.492) 5.061 6.102 ( 4.814 -0.079 -1.438) 5.025 6.169 ( 0.665 -0.881 1.632) 1.970 6.220 ( 0.374 -0.362 -3.168) 3.211 6.334 ( 0.064 -0.426 1.784) 1.835 6.356 ( 0.282 -0.856 -0.510) 1.036 ======================= Grid point 196 (64/98) ======================= q-point: (-0.38 0.08 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 254 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.468 ( -12.253 -2.872 2.375) 12.807 1.491 ( -9.203 1.749 2.463) 9.686 1.584 ( -11.643 -0.983 -0.144) 11.685 1.660 ( -8.603 2.107 -4.956) 10.149 1.800 ( -2.386 -3.834 2.327) 5.080 1.844 ( -1.832 -3.983 -0.545) 4.418 1.914 ( -3.028 -3.927 1.607) 5.212 1.961 ( -5.078 -2.775 -2.398) 6.264 1.990 ( -0.550 -1.738 3.721) 4.144 2.057 ( 0.340 -2.821 0.267) 2.854 2.066 ( -0.856 -3.734 -1.654) 4.173 2.082 ( -1.286 -4.423 -2.073) 5.051 2.292 ( -1.241 0.349 3.073) 3.333 2.328 ( -1.987 -0.388 -0.690) 2.139 2.470 ( -1.310 1.353 2.678) 3.274 2.486 ( 0.193 1.698 0.519) 1.786 2.528 ( -0.785 0.107 1.619) 1.802 2.571 ( 0.132 0.639 1.557) 1.688 2.763 ( -2.596 0.558 -7.016) 7.501 2.791 ( -2.861 -0.375 -7.106) 7.670 2.841 ( -2.505 -2.066 2.108) 3.871 2.889 ( -3.071 -2.903 -2.822) 5.081 2.998 ( -0.343 0.809 2.470) 2.622 3.053 ( -0.865 1.140 -1.348) 1.966 3.106 ( -6.919 1.439 2.910) 7.643 3.178 ( -7.657 0.870 -3.693) 8.546 3.235 ( -2.772 0.265 0.510) 2.831 3.271 ( -3.002 0.096 -1.638) 3.421 3.412 ( -0.247 3.295 3.312) 4.679 3.482 ( -7.544 2.143 0.784) 7.882 3.484 ( -4.058 5.869 -2.135) 7.448 3.513 ( -1.799 0.058 -2.481) 3.065 3.600 ( -5.894 0.006 2.946) 6.589 3.634 ( -0.418 2.896 0.912) 3.065 3.674 ( -0.994 0.516 1.602) 1.955 3.680 ( -0.400 -3.153 2.886) 4.293 4.332 ( -2.327 1.554 2.438) 3.711 4.370 ( -3.982 2.506 -0.396) 4.721 4.385 ( -2.794 3.019 0.305) 4.125 4.412 ( -1.660 0.685 -2.604) 3.163 4.548 ( -0.304 -0.660 1.579) 1.739 4.589 ( 0.527 -0.975 -2.353) 2.601 4.679 ( -2.615 -0.172 0.607) 2.690 4.695 ( -2.421 -0.022 -0.754) 2.536 4.773 ( 0.267 0.980 0.833) 1.313 4.789 ( 1.528 1.643 -0.536) 2.307 5.110 ( -0.210 -1.546 0.386) 1.607 5.129 ( 1.326 -1.512 -1.232) 2.359 5.227 ( 0.476 -3.417 -0.194) 3.455 5.237 ( 1.240 -3.568 -0.952) 3.895 5.305 ( 0.993 -2.476 0.743) 2.770 5.311 ( -0.437 -2.472 0.196) 2.518 5.382 ( -2.659 -0.333 1.424) 3.035 5.402 ( -2.216 0.382 0.612) 2.331 5.458 ( -3.724 -0.496 -0.324) 3.771 5.477 ( -4.621 0.181 -1.130) 4.761 5.538 ( -0.895 0.113 1.890) 2.094 5.579 ( 0.005 0.339 -1.789) 1.821 5.806 ( 0.668 -0.831 1.817) 2.106 5.845 ( 1.318 -0.129 -1.618) 2.091 6.132 ( 0.904 -0.185 1.746) 1.975 6.159 ( 1.167 0.500 -0.355) 1.319 6.197 ( 1.826 -1.012 -0.304) 2.110 6.221 ( -0.489 -0.440 -2.408) 2.496 6.334 ( -0.426 -1.269 2.348) 2.703 6.369 ( 0.373 -1.660 -1.117) 2.036 ======================= Grid point 197 (65/98) ======================= q-point: (-0.31 0.08 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 254 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.208 ( -15.550 -0.627 4.542) 16.212 1.277 ( -11.204 5.128 5.781) 13.610 1.341 ( -13.531 -0.049 -3.534) 13.985 1.467 ( -9.362 3.815 -7.795) 12.766 1.737 ( -5.967 -2.609 3.066) 7.198 1.762 ( -7.437 -3.173 1.556) 8.234 1.863 ( -6.168 -5.179 0.125) 8.055 1.907 ( -3.782 -3.973 -2.589) 6.066 1.984 ( -1.501 -2.147 3.344) 4.248 2.059 ( -3.107 -4.373 -0.486) 5.386 2.071 ( -0.406 -1.339 -0.339) 1.440 2.080 ( -2.561 -2.699 -2.262) 4.355 2.235 ( -3.517 2.095 1.278) 4.288 2.253 ( -5.172 1.871 -0.779) 5.555 2.378 ( -7.845 0.665 5.163) 9.415 2.434 ( -8.173 1.711 -0.325) 8.356 2.493 ( -2.044 1.563 1.789) 3.134 2.538 ( -1.755 2.189 -1.115) 3.019 2.670 ( -5.108 1.167 -1.696) 5.507 2.717 ( -4.974 1.509 -3.728) 6.396 2.759 ( -6.177 -0.336 0.423) 6.201 2.788 ( -4.512 0.210 -3.431) 5.672 2.908 ( -5.442 -0.665 1.701) 5.740 2.937 ( -5.386 -1.017 -0.725) 5.529 3.042 ( -2.871 1.637 3.117) 4.543 3.108 ( -3.502 0.981 -1.275) 3.854 3.167 ( -6.107 -1.286 -2.990) 6.920 3.189 ( -5.744 2.474 -3.950) 7.397 3.268 ( -7.729 1.187 0.590) 7.842 3.295 ( -5.604 -0.031 -0.739) 5.653 3.486 ( 2.856 2.051 0.720) 3.589 3.525 ( 1.281 0.647 -1.473) 2.056 3.593 ( 2.288 -0.058 2.771) 3.594 3.647 ( 3.041 1.349 -2.082) 3.924 3.683 ( 1.656 -0.527 4.060) 4.416 3.701 ( 1.016 -0.672 3.202) 3.426 4.238 ( -5.245 3.356 1.469) 6.397 4.258 ( -5.547 3.066 -0.434) 6.353 4.318 ( -3.496 0.803 2.567) 4.411 4.388 ( -1.484 -0.615 -4.165) 4.464 4.556 ( 0.134 -1.480 2.305) 2.742 4.606 ( -1.613 -2.320 -2.132) 3.540 4.624 ( -1.509 -0.821 0.193) 1.729 4.646 ( -1.949 -0.171 -0.974) 2.185 4.770 ( 0.270 1.938 1.514) 2.474 4.807 ( 1.297 2.184 -1.651) 3.030 5.124 ( 0.678 -1.141 1.106) 1.728 5.163 ( 1.257 -1.153 -2.624) 3.129 5.262 ( 1.514 -2.037 0.862) 2.680 5.274 ( 0.556 -2.271 0.049) 2.339 5.304 ( -1.013 -1.042 1.560) 2.132 5.337 ( -0.060 -1.447 -1.475) 2.067 5.347 ( -0.359 -0.293 2.992) 3.027 5.400 ( 1.234 0.059 -0.729) 1.434 5.412 ( 1.030 0.423 0.957) 1.468 5.437 ( 0.040 0.029 -1.798) 1.799 5.535 ( 0.691 -0.105 1.956) 2.077 5.590 ( 1.366 0.009 -2.858) 3.167 5.824 ( 0.451 -1.083 2.278) 2.563 5.868 ( 0.887 0.078 -1.734) 1.949 6.108 ( -2.799 -0.013 1.668) 3.259 6.148 ( -2.074 0.691 -1.797) 2.830 6.208 ( -0.692 -0.385 0.163) 0.809 6.229 ( 0.402 -0.652 -1.304) 1.512 6.339 ( -0.095 -2.664 3.157) 4.132 6.390 ( 0.711 -2.430 -1.748) 3.077 ======================= Grid point 198 (66/98) ======================= q-point: (-0.23 0.08 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 254 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.899 ( -15.664 2.756 7.479) 17.575 1.016 ( -12.223 7.222 11.855) 18.496 1.088 ( -11.900 2.153 -9.138) 15.157 1.267 ( -9.641 4.072 -11.271) 15.381 1.579 ( -14.934 0.568 2.907) 15.225 1.587 ( -13.924 0.096 2.518) 14.150 1.683 ( -9.406 2.460 7.663) 12.379 1.816 ( -4.890 0.192 -4.007) 6.325 1.946 ( -6.704 -0.892 -0.301) 6.770 1.980 ( -3.451 -1.134 1.184) 3.820 1.991 ( -7.519 -2.022 -2.977) 8.336 2.045 ( -2.733 -0.701 -3.665) 4.625 2.137 ( -7.138 1.828 2.952) 7.938 2.181 ( -5.377 0.585 -1.062) 5.512 2.214 ( -3.464 0.640 1.036) 3.672 2.228 ( -5.994 0.431 -0.058) 6.010 2.457 ( -1.341 0.754 0.686) 1.685 2.487 ( -2.239 1.549 -1.927) 3.335 2.587 ( -3.601 2.853 2.261) 5.121 2.614 ( -2.747 1.205 0.246) 3.010 2.691 ( -2.042 -0.509 -0.783) 2.245 2.729 ( -1.200 0.958 -4.265) 4.533 2.832 ( -3.187 -0.504 4.339) 5.408 2.861 ( -5.615 -1.570 -0.457) 5.848 2.935 ( -7.304 -0.538 -0.253) 7.329 2.971 ( -7.817 2.112 -1.343) 8.208 3.023 ( -5.323 0.843 0.403) 5.405 3.109 ( -3.077 1.022 -6.853) 7.582 3.184 ( -3.021 -3.950 1.205) 5.117 3.243 ( -2.666 -3.865 -1.813) 5.033 3.510 ( 1.384 4.095 0.490) 4.350 3.542 ( 1.119 1.633 -1.255) 2.344 3.627 ( 1.240 0.718 3.931) 4.184 3.701 ( 1.186 0.589 -0.603) 1.455 3.732 ( 2.769 -0.878 3.958) 4.909 3.756 ( 5.015 -1.385 0.713) 5.252 4.120 ( -5.270 2.080 1.136) 5.778 4.139 ( -5.207 2.085 -0.664) 5.648 4.223 ( -6.261 0.467 4.433) 7.685 4.343 ( -4.504 -1.882 -7.084) 8.603 4.542 ( -3.589 -3.306 0.482) 4.903 4.553 ( -1.959 -2.192 0.747) 3.033 4.629 ( 0.845 -0.684 0.485) 1.190 4.657 ( 1.525 1.237 -1.477) 2.457 4.775 ( 1.546 1.343 0.130) 2.052 4.818 ( 1.214 1.744 -2.738) 3.465 5.141 ( 0.584 -0.265 1.581) 1.706 5.183 ( 0.414 -0.646 -2.249) 2.377 5.275 ( -0.502 -1.635 1.430) 2.230 5.290 ( 0.335 -0.726 0.317) 0.860 5.315 ( 0.239 -0.333 0.746) 0.851 5.339 ( 2.311 0.381 3.226) 3.987 5.362 ( 1.053 -0.145 1.345) 1.715 5.434 ( 2.979 2.059 2.590) 4.452 5.465 ( 2.702 0.743 -2.907) 4.038 5.490 ( 6.428 1.329 -2.232) 6.933 5.566 ( 2.362 -0.136 2.278) 3.284 5.630 ( 2.540 -0.340 -3.500) 4.338 5.829 ( -0.680 -1.097 2.172) 2.526 5.868 ( -0.918 0.387 -1.372) 1.695 6.039 ( -4.224 -0.034 1.424) 4.457 6.086 ( -3.890 0.248 -3.075) 4.965 6.193 ( -1.007 -0.123 1.398) 1.728 6.223 ( -1.212 -0.464 -1.455) 1.950 6.360 ( 0.406 -4.054 4.381) 5.983 6.426 ( 1.480 -3.252 -1.976) 4.083 ======================= Grid point 199 (67/98) ======================= q-point: (-0.15 0.08 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 254 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.606 ( -11.268 6.650 12.421) 18.041 0.737 ( -12.959 8.111 15.096) 21.486 0.882 ( -7.360 4.267 -13.019) 15.553 1.015 ( -13.727 6.335 -12.065) 19.342 1.127 ( -19.538 14.819 15.729) 29.133 1.389 ( -3.975 3.542 -4.852) 7.203 1.582 ( -3.109 -0.395 8.441) 9.004 1.729 ( -6.260 2.884 -6.730) 9.634 1.776 ( -10.038 1.937 -3.305) 10.744 1.794 ( -5.474 0.325 -3.535) 6.524 1.940 ( -6.168 -1.707 2.420) 6.842 1.983 ( -5.645 -2.277 -1.565) 6.285 2.010 ( -2.308 -0.766 1.330) 2.771 2.053 ( -1.780 -0.945 -2.566) 3.263 2.235 ( 3.349 0.968 1.006) 3.628 2.244 ( 3.294 0.573 0.303) 3.357 2.431 ( -1.222 -0.031 0.073) 1.224 2.438 ( -2.227 0.469 -0.528) 2.337 2.527 ( -0.698 2.735 3.693) 4.648 2.586 ( -0.575 -0.557 -0.118) 0.809 2.680 ( -0.015 -0.840 -0.189) 0.861 2.706 ( -4.681 -0.002 -1.053) 4.798 2.725 ( -6.115 0.895 -1.503) 6.360 2.740 ( -4.853 0.519 -4.252) 6.473 2.815 ( -0.976 0.921 6.907) 7.036 2.903 ( -2.050 -1.234 0.323) 2.415 2.939 ( -3.074 0.276 -0.231) 3.095 3.051 ( -2.220 0.669 -9.244) 9.530 3.171 ( -1.123 -5.457 2.140) 5.968 3.228 ( -1.441 -5.520 -1.643) 5.937 3.502 ( 0.843 6.013 1.834) 6.343 3.558 ( 2.297 3.946 -1.377) 4.769 3.639 ( 1.292 1.965 2.797) 3.655 3.698 ( 0.157 2.363 0.717) 2.474 3.801 ( 2.829 -2.268 4.437) 5.731 3.854 ( 3.597 -2.612 -0.692) 4.499 4.022 ( -3.945 0.910 1.088) 4.192 4.035 ( -5.234 0.838 -0.032) 5.300 4.091 ( -5.954 0.545 2.583) 6.513 4.206 ( -11.753 -2.507 -9.655) 15.416 4.505 ( -1.884 -4.233 2.308) 5.176 4.550 ( -0.326 -3.937 -1.114) 4.104 4.642 ( 0.327 1.770 1.259) 2.196 4.666 ( 0.874 2.799 0.346) 2.953 4.802 ( 1.111 -0.119 -1.694) 2.029 4.846 ( 2.048 0.334 -5.179) 5.579 5.148 ( 0.354 1.229 1.735) 2.155 5.193 ( 0.412 0.077 -2.371) 2.408 5.280 ( 0.116 -1.271 1.163) 1.727 5.293 ( -0.006 -0.179 -0.074) 0.194 5.322 ( 0.375 0.235 2.201) 2.245 5.373 ( 0.778 0.384 -2.329) 2.485 5.413 ( 4.057 1.969 6.302) 7.750 5.489 ( 3.454 1.401 2.632) 4.562 5.523 ( 6.073 2.379 2.326) 6.925 5.619 ( 3.838 0.729 1.949) 4.366 5.637 ( 8.334 0.296 -2.894) 8.827 5.682 ( 2.570 -0.290 -3.234) 4.141 5.808 ( -1.917 -0.826 1.291) 2.454 5.831 ( -2.259 0.420 -0.770) 2.423 5.951 ( -5.248 -0.457 0.499) 5.292 5.993 ( -6.535 -0.269 -3.949) 7.640 6.173 ( -1.017 0.039 1.002) 1.428 6.193 ( -1.903 -0.151 -0.905) 2.113 6.405 ( 1.602 -6.621 6.705) 9.558 6.481 ( 1.965 -3.979 -1.506) 4.686 ======================= Grid point 200 (68/98) ======================= q-point: (-0.08 0.08 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.464 ( -0.000 9.750 16.410) 19.088 0.469 ( -0.000 10.091 17.319) 20.044 0.776 ( -0.000 4.717 -13.206) 14.023 0.808 ( -0.000 7.824 -13.347) 15.471 0.847 ( -0.000 13.689 28.520) 31.635 1.374 ( -0.000 0.511 -16.962) 16.970 1.531 ( -0.000 1.677 6.782) 6.986 1.609 ( -0.000 4.025 5.444) 6.770 1.667 ( -0.000 0.878 -6.122) 6.185 1.762 ( -0.000 0.135 -6.326) 6.328 1.870 ( 0.000 -0.770 3.183) 3.275 1.922 ( 0.000 -1.351 -1.870) 2.307 2.008 ( 0.000 -1.182 1.361) 1.802 2.054 ( 0.000 -1.285 -2.874) 3.148 2.281 ( 0.000 -0.071 1.164) 1.167 2.285 ( -0.000 0.452 0.899) 1.006 2.411 ( -0.000 0.002 0.170) 0.170 2.417 ( 0.000 -0.179 -0.412) 0.450 2.514 ( -0.000 2.288 5.080) 5.572 2.565 ( -0.000 0.786 2.555) 2.674 2.624 ( -0.000 0.197 -2.807) 2.814 2.639 ( 0.000 -1.710 -4.619) 4.925 2.698 ( 0.000 -0.914 0.332) 0.972 2.737 ( -0.000 0.566 -3.963) 4.003 2.811 ( -0.000 2.076 7.629) 7.906 2.877 ( 0.000 -0.582 1.977) 2.061 2.914 ( 0.000 -0.744 -1.441) 1.622 3.027 ( -0.000 0.211 -10.453) 10.455 3.198 ( 0.000 -6.391 2.469) 6.851 3.251 ( 0.000 -6.924 -1.463) 7.077 3.473 ( -0.000 7.448 3.042) 8.045 3.566 ( -0.000 6.940 -2.939) 7.536 3.647 ( -0.000 3.579 0.951) 3.703 3.706 ( 0.000 -0.459 -0.077) 0.466 3.847 ( 0.000 -1.506 4.604) 4.844 3.911 ( 0.000 -1.829 -0.940) 2.056 3.956 ( -0.000 0.610 0.086) 0.616 3.960 ( -0.000 0.585 -0.273) 0.646 4.014 ( -0.000 0.487 0.955) 1.072 4.033 ( -0.000 0.410 -0.764) 0.867 4.515 ( 0.000 -4.991 3.164) 5.909 4.574 ( 0.000 -4.709 -1.623) 4.981 4.626 ( -0.000 4.260 1.922) 4.674 4.661 ( -0.000 2.619 -0.212) 2.628 4.819 ( 0.000 -1.841 -1.382) 2.302 4.867 ( -0.000 0.362 -6.532) 6.542 5.141 ( -0.000 1.930 2.065) 2.826 5.195 ( -0.000 0.676 -2.960) 3.036 5.286 ( 0.000 -0.129 0.803) 0.814 5.293 ( -0.000 0.021 -0.002) 0.021 5.325 ( 0.000 -0.417 2.639) 2.672 5.377 ( -0.000 0.691 -2.090) 2.201 5.435 ( -0.000 3.045 3.979) 5.011 5.510 ( -0.000 1.350 -2.591) 2.922 5.632 ( 0.000 -2.122 4.754) 5.206 5.709 ( 0.000 -0.536 -2.894) 2.943 5.760 ( 0.000 -0.415 0.300) 0.512 5.768 ( 0.000 -0.300 -0.489) 0.574 5.795 ( -0.000 0.458 0.656) 0.800 5.807 ( -0.000 0.575 -0.483) 0.751 5.810 ( -0.000 0.908 1.351) 1.628 5.860 ( 0.000 -0.502 -2.692) 2.738 6.160 ( -0.000 0.077 0.437) 0.444 6.170 ( -0.000 0.080 -0.422) 0.429 6.484 ( 0.000 -10.197 5.520) 11.595 6.526 ( 0.000 -3.630 -0.325) 3.644 ======================= Grid point 203 (69/98) ======================= q-point: ( 0.15 0.15 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.449 ( 11.909 -0.000 5.203) 12.996 1.517 ( 11.648 -0.000 -0.276) 11.651 1.622 ( 11.719 -0.000 -2.129) 11.911 1.623 ( 12.529 -0.000 -1.543) 12.624 1.875 ( 3.541 -0.000 2.038) 4.086 1.921 ( 3.588 -0.000 -1.871) 4.047 1.994 ( -0.526 0.000 0.136) 0.544 2.000 ( -0.522 0.000 -0.786) 0.944 2.017 ( 1.072 -0.000 4.108) 4.246 2.094 ( 0.328 -0.000 -2.583) 2.604 2.196 ( -1.049 0.000 -1.730) 2.023 2.204 ( -0.312 0.000 -2.076) 2.099 2.296 ( 4.555 -0.000 1.292) 4.734 2.316 ( 4.767 -0.000 -0.770) 4.829 2.434 ( 0.430 -0.000 5.533) 5.549 2.448 ( 0.311 -0.000 2.206) 2.228 2.529 ( 1.056 -0.000 -0.419) 1.136 2.547 ( 2.274 -0.000 1.760) 2.876 2.753 ( 3.904 -0.000 -6.133) 7.270 2.798 ( 4.713 -0.000 -8.001) 9.285 2.893 ( 4.544 -0.000 2.483) 5.178 2.934 ( 9.032 -0.000 -1.061) 9.094 2.983 ( -1.487 0.000 3.578) 3.874 3.024 ( 1.235 -0.000 0.455) 1.317 3.084 ( 8.682 -0.000 4.378) 9.724 3.170 ( 2.303 -0.000 -0.172) 2.309 3.223 ( 0.360 -0.000 -0.923) 0.991 3.271 ( 6.034 -0.000 -2.973) 6.726 3.332 ( 0.369 -0.000 -3.500) 3.519 3.339 ( -1.299 0.000 -2.900) 3.178 3.480 ( 6.896 -0.000 1.318) 7.021 3.519 ( 3.431 -0.000 -1.813) 3.880 3.545 ( 1.979 -0.000 -0.367) 2.013 3.549 ( 0.840 -0.000 -0.783) 1.148 3.710 ( 2.497 -0.000 7.163) 7.586 3.755 ( 1.874 -0.000 3.702) 4.149 4.269 ( 4.309 -0.000 1.801) 4.670 4.305 ( 4.272 -0.000 -1.350) 4.480 4.348 ( 1.346 -0.000 1.744) 2.203 4.403 ( 0.130 -0.000 -3.480) 3.483 4.566 ( 0.409 -0.000 2.345) 2.380 4.618 ( -0.702 0.000 -2.693) 2.783 4.678 ( 1.261 -0.000 -0.170) 1.272 4.688 ( 2.024 -0.000 -0.719) 2.148 4.761 ( 1.122 -0.000 0.581) 1.264 4.764 ( -0.433 0.000 0.439) 0.617 5.146 ( 0.436 -0.000 0.138) 0.457 5.165 ( -0.935 0.000 -1.695) 1.936 5.288 ( -0.386 0.000 -0.141) 0.411 5.294 ( -0.815 0.000 -0.546) 0.981 5.351 ( 0.317 -0.000 1.157) 1.199 5.352 ( -1.091 0.000 0.870) 1.396 5.390 ( 3.515 -0.000 1.088) 3.679 5.403 ( 2.062 -0.000 0.188) 2.071 5.471 ( 3.308 -0.000 -0.812) 3.406 5.472 ( 5.048 -0.000 -0.659) 5.091 5.535 ( 0.497 -0.000 1.587) 1.663 5.570 ( -0.424 0.000 -1.645) 1.699 5.830 ( -0.944 0.000 0.912) 1.313 5.842 ( -1.209 0.000 -0.146) 1.218 6.139 ( -1.710 0.000 0.404) 1.757 6.143 ( 0.248 -0.000 -0.034) 0.251 6.218 ( -1.699 0.000 -0.527) 1.778 6.227 ( 0.512 -0.000 -1.664) 1.741 6.365 ( -0.846 0.000 2.493) 2.632 6.403 ( -1.242 0.000 -1.235) 1.751 ======================= Grid point 204 (70/98) ======================= q-point: ( 0.23 0.15 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 254 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.643 ( 7.982 -0.058 3.195) 8.597 1.687 ( 6.362 0.139 -0.644) 6.396 1.809 ( 6.646 0.638 -0.719) 6.715 1.811 ( 6.698 0.212 -0.870) 6.758 1.902 ( -1.268 0.896 1.111) 1.909 1.914 ( -3.011 0.906 -0.408) 3.171 1.983 ( 0.558 0.050 0.368) 0.670 2.002 ( 0.006 -0.091 0.463) 0.472 2.042 ( 1.166 1.379 2.092) 2.764 2.085 ( -1.114 0.211 -0.307) 1.174 2.169 ( -0.411 0.749 -1.564) 1.782 2.179 ( -0.769 0.416 -3.120) 3.240 2.336 ( 0.844 0.940 2.612) 2.902 2.361 ( 0.722 0.292 -0.039) 0.780 2.443 ( 0.400 -0.622 2.186) 2.308 2.455 ( 0.234 -0.477 1.264) 1.371 2.533 ( -0.451 0.382 -0.330) 0.677 2.543 ( -1.702 -0.523 -0.068) 1.782 2.803 ( 0.963 0.274 -2.715) 2.893 2.851 ( -0.153 -0.035 -6.720) 6.722 2.889 ( -3.163 0.751 1.671) 3.655 2.929 ( -2.664 1.683 -1.253) 3.391 2.946 ( -1.446 -0.711 1.414) 2.144 3.018 ( -5.398 0.146 -3.330) 6.344 3.180 ( -0.604 -1.171 1.736) 2.179 3.205 ( -2.811 -0.568 2.649) 3.904 3.285 ( 6.003 -0.814 0.052) 6.058 3.332 ( 9.338 -0.599 2.049) 9.579 3.372 ( 3.927 0.453 -2.484) 4.668 3.414 ( 5.887 -1.210 -2.608) 6.551 3.567 ( 2.158 -0.111 -0.102) 2.163 3.573 ( 2.588 -0.191 -0.623) 2.669 3.676 ( 7.842 -0.397 0.352) 7.860 3.683 ( 6.302 -0.310 0.562) 6.334 3.787 ( 6.553 0.354 3.656) 7.512 3.806 ( 4.607 0.545 2.888) 5.465 4.333 ( -0.010 0.176 1.995) 2.003 4.351 ( 3.222 -1.531 1.924) 4.053 4.397 ( 0.972 0.267 -2.445) 2.645 4.405 ( 2.139 -1.131 -2.144) 3.233 4.586 ( 1.623 0.381 0.599) 1.771 4.612 ( 0.052 0.582 -1.873) 1.962 4.690 ( 0.033 -0.145 0.526) 0.546 4.719 ( 1.109 0.075 -1.762) 2.084 4.762 ( 0.164 -0.282 1.510) 1.545 4.776 ( 0.576 -0.098 0.066) 0.588 5.145 ( -1.054 0.469 -0.097) 1.158 5.153 ( -0.100 0.452 -0.838) 0.957 5.280 ( -0.697 0.642 -0.208) 0.971 5.282 ( -0.033 0.440 -0.309) 0.539 5.317 ( -2.377 0.435 1.409) 2.797 5.346 ( -0.619 0.128 -1.343) 1.484 5.450 ( 2.615 0.306 0.554) 2.691 5.457 ( 3.070 0.017 -0.020) 3.070 5.552 ( 1.296 0.021 1.024) 1.652 5.553 ( 1.457 0.162 0.129) 1.472 5.565 ( 5.866 -0.334 1.285) 6.014 5.606 ( 5.947 -0.149 -1.659) 6.176 5.813 ( -0.746 0.411 0.571) 1.026 5.822 ( -0.905 -0.184 -0.234) 0.952 6.075 ( -4.664 0.059 1.063) 4.784 6.102 ( -4.347 -0.024 -1.325) 4.544 6.190 ( -1.183 0.198 1.001) 1.562 6.227 ( -0.490 0.058 -2.650) 2.695 6.349 ( -0.785 0.182 2.184) 2.328 6.379 ( -1.203 0.232 -0.843) 1.487 ======================= Grid point 205 (71/98) ======================= q-point: ( 0.31 0.15 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 254 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.744 ( 2.539 0.672 1.348) 2.953 1.759 ( 1.218 0.880 -0.147) 1.510 1.821 ( -3.106 0.854 0.232) 3.229 1.828 ( -3.874 0.673 -0.463) 3.960 1.861 ( -1.614 0.146 0.862) 1.836 1.877 ( -1.503 -0.577 -0.530) 1.695 1.997 ( 1.036 0.418 1.553) 1.913 2.002 ( 0.491 -0.128 0.902) 1.034 2.032 ( -0.982 1.644 1.121) 2.219 2.053 ( -2.395 0.106 0.049) 2.398 2.193 ( 1.996 0.316 -1.546) 2.544 2.204 ( 3.503 -0.246 -0.359) 3.530 2.327 ( -1.648 0.810 2.319) 2.958 2.353 ( -1.465 0.576 -0.154) 1.582 2.452 ( -0.097 -0.847 -1.190) 1.464 2.458 ( -0.195 -0.883 -0.967) 1.323 2.514 ( 0.281 0.036 1.698) 1.722 2.536 ( 0.283 0.153 -0.304) 0.442 2.780 ( -2.163 -0.378 0.171) 2.203 2.806 ( -3.259 -0.513 0.033) 3.299 2.821 ( -3.201 0.717 -0.981) 3.424 2.870 ( -1.928 2.349 -4.089) 5.095 2.922 ( -2.203 -0.468 -1.103) 2.508 2.938 ( -1.851 -2.801 -5.405) 6.363 3.189 ( 1.689 -0.217 0.445) 1.760 3.194 ( 1.546 -0.595 -0.063) 1.658 3.396 ( 3.938 -0.075 2.934) 4.911 3.423 ( 1.412 0.148 1.257) 1.896 3.480 ( 5.775 0.678 1.517) 6.009 3.509 ( 3.543 0.389 -0.765) 3.645 3.599 ( 1.197 -0.194 0.489) 1.308 3.617 ( 1.691 -0.006 -0.715) 1.836 3.726 ( -0.577 0.895 1.960) 2.231 3.734 ( -0.547 0.226 1.248) 1.381 3.917 ( 4.650 -0.687 0.864) 4.779 3.929 ( 5.411 -0.947 -0.051) 5.493 4.323 ( -0.517 -0.602 2.664) 2.780 4.385 ( -0.607 -0.584 -2.561) 2.696 4.428 ( 3.569 -0.664 2.349) 4.323 4.468 ( 2.751 -0.660 -0.986) 2.995 4.607 ( 0.099 1.156 -2.049) 2.355 4.612 ( 0.749 0.737 -2.542) 2.750 4.688 ( 0.094 0.023 1.466) 1.469 4.723 ( -0.274 0.807 -1.438) 1.672 4.777 ( 0.931 -1.121 1.635) 2.190 4.796 ( 1.301 -0.621 -0.179) 1.453 5.117 ( -1.666 0.467 -0.022) 1.730 5.124 ( -2.477 0.581 -0.692) 2.636 5.249 ( -1.810 0.588 0.948) 2.126 5.259 ( -3.040 0.419 0.732) 3.155 5.297 ( 1.265 0.229 0.113) 1.291 5.325 ( -1.808 -0.104 -1.810) 2.561 5.489 ( 1.280 0.217 -0.152) 1.308 5.495 ( 0.819 -0.008 -0.765) 1.121 5.566 ( 0.488 -0.191 1.151) 1.265 5.573 ( 0.747 -0.038 0.500) 0.900 5.692 ( 6.159 -0.187 1.701) 6.393 5.724 ( 4.443 -0.129 -1.158) 4.593 5.798 ( -0.533 0.422 0.627) 0.925 5.810 ( -0.407 -0.107 -0.429) 0.600 5.981 ( -3.828 0.181 0.719) 3.899 6.003 ( -5.037 -0.005 -1.190) 5.176 6.166 ( -1.114 0.150 1.434) 1.823 6.213 ( -0.703 0.029 -3.113) 3.191 6.334 ( -0.559 0.122 1.908) 1.992 6.358 ( -0.806 0.160 -0.528) 0.977 ======================= Grid point 206 (72/98) ======================= q-point: (-0.62 0.15 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 254 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.698 ( -4.974 0.111 0.629) 5.015 1.716 ( -3.537 0.193 -0.888) 3.652 1.791 ( -3.592 -1.250 1.363) 4.040 1.803 ( -2.700 -1.966 0.154) 3.343 1.807 ( -0.832 -1.145 1.878) 2.352 1.840 ( 0.020 -0.418 -0.610) 0.739 1.979 ( -3.474 0.072 2.624) 4.354 1.989 ( -3.225 0.006 0.114) 3.227 2.013 ( -0.070 0.265 1.670) 1.692 2.027 ( 0.674 -0.522 -1.420) 1.656 2.211 ( -1.628 0.966 0.152) 1.899 2.240 ( -3.371 1.831 -1.234) 4.029 2.269 ( -1.247 -1.744 2.098) 2.999 2.319 ( -0.158 -0.347 -1.752) 1.793 2.452 ( -0.029 -1.033 -0.163) 1.047 2.469 ( 0.474 -1.302 -1.652) 2.156 2.538 ( 1.538 0.842 1.094) 2.066 2.542 ( 0.852 0.850 0.737) 1.412 2.760 ( -0.287 -0.568 0.665) 0.921 2.777 ( 0.301 -1.605 1.147) 1.996 2.790 ( 0.414 -0.879 -0.697) 1.196 2.854 ( 0.704 0.776 -6.346) 6.432 2.904 ( 0.135 -1.391 -2.249) 2.648 2.938 ( 0.840 -0.965 -5.832) 5.970 3.227 ( 1.803 0.271 0.967) 2.063 3.233 ( 1.856 0.715 0.857) 2.166 3.421 ( -1.395 0.482 2.740) 3.112 3.433 ( -0.072 0.700 0.598) 0.924 3.534 ( -0.085 2.471 3.227) 4.066 3.558 ( 3.539 2.401 0.477) 4.303 3.614 ( -0.045 0.279 -0.408) 0.496 3.627 ( -1.132 0.491 0.095) 1.238 3.678 ( -3.322 -0.852 1.195) 3.632 3.685 ( -4.038 -0.809 0.664) 4.172 3.934 ( -3.286 -0.611 1.385) 3.618 3.962 ( -2.677 -0.152 -1.076) 2.889 4.330 ( 0.739 -0.785 3.010) 3.198 4.385 ( 0.324 -0.906 -1.704) 1.957 4.488 ( 1.951 1.304 1.614) 2.847 4.503 ( 0.798 0.119 0.300) 0.861 4.592 ( -1.201 1.175 -2.826) 3.288 4.612 ( 0.430 1.557 -3.560) 3.909 4.699 ( 0.831 0.310 0.681) 1.118 4.717 ( 0.391 0.451 -0.807) 1.004 4.797 ( 0.222 -0.570 1.643) 1.753 4.813 ( -0.322 -0.288 0.049) 0.435 5.076 ( -1.757 -0.853 0.041) 1.954 5.082 ( -1.492 -0.623 -0.462) 1.682 5.202 ( -2.805 -0.821 0.801) 3.031 5.216 ( -1.977 -0.942 -0.417) 2.230 5.280 ( -2.427 -0.390 1.365) 2.812 5.315 ( 0.102 -0.393 -1.695) 1.743 5.483 ( -1.730 0.065 -0.340) 1.764 5.493 ( -1.072 -0.102 -1.038) 1.496 5.569 ( -0.438 -0.156 1.374) 1.451 5.576 ( -0.515 0.052 0.510) 0.726 5.706 ( -5.711 0.226 1.356) 5.874 5.731 ( -3.652 0.047 -0.758) 3.730 5.787 ( -0.192 0.106 0.809) 0.839 5.807 ( 0.198 -0.153 -0.975) 1.007 5.973 ( 3.407 -0.027 1.036) 3.561 5.999 ( 4.748 -0.139 -1.244) 4.910 6.153 ( -0.163 -0.250 1.746) 1.772 6.208 ( 0.136 -0.163 -3.425) 3.432 6.329 ( 0.008 -0.023 1.718) 1.718 6.348 ( -0.205 -0.113 -0.350) 0.421 ======================= Grid point 207 (73/98) ======================= q-point: (-0.54 0.15 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 254 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.597 ( -7.359 -3.642 1.807) 8.407 1.633 ( -5.911 -1.380 -0.956) 6.145 1.724 ( -4.739 -1.551 1.987) 5.367 1.736 ( -3.327 -3.047 0.950) 4.610 1.807 ( -1.514 -1.735 -0.279) 2.320 1.838 ( -2.629 1.104 -2.227) 3.618 1.911 ( -2.434 -1.868 4.083) 5.107 1.956 ( 0.166 -2.227 -0.750) 2.356 2.002 ( -1.052 -0.019 2.760) 2.954 2.034 ( -0.570 -1.210 -1.346) 1.898 2.101 ( -8.197 -1.077 -1.297) 8.369 2.116 ( -6.793 -1.263 -2.378) 7.307 2.291 ( 1.258 -0.046 3.266) 3.500 2.335 ( 0.568 0.183 -0.594) 0.842 2.462 ( 0.550 -1.176 0.693) 1.472 2.489 ( 0.935 -0.479 -1.408) 1.757 2.551 ( 0.474 1.361 1.665) 2.202 2.558 ( 1.048 0.767 1.640) 2.093 2.774 ( 1.015 -0.216 -3.216) 3.379 2.806 ( 0.088 -1.700 -2.060) 2.672 2.822 ( 1.730 -0.984 -0.252) 2.007 2.864 ( 0.298 -0.806 -6.431) 6.488 2.947 ( 3.587 -0.421 -0.118) 3.613 2.994 ( 4.188 -0.251 -4.070) 5.845 3.232 ( -1.918 0.916 1.916) 2.862 3.253 ( 0.686 -0.056 0.301) 0.751 3.350 ( -5.592 1.280 0.984) 5.820 3.377 ( -5.486 1.193 -1.543) 5.823 3.487 ( -3.361 2.731 5.516) 7.013 3.554 ( -4.021 -1.986 3.187) 5.502 3.579 ( -1.945 3.473 -3.253) 5.140 3.596 ( 0.543 1.715 -0.749) 1.949 3.623 ( -2.126 -2.633 4.240) 5.425 3.663 ( 0.159 0.161 -0.213) 0.311 3.811 ( -8.658 1.280 1.560) 8.890 3.840 ( -8.718 2.092 -1.035) 9.025 4.350 ( 0.630 -0.346 2.865) 2.953 4.399 ( 0.134 -1.028 -1.292) 1.657 4.471 ( -1.909 1.419 -0.024) 2.379 4.498 ( -1.593 1.999 -1.324) 2.879 4.566 ( -0.596 1.295 0.272) 1.451 4.605 ( -0.293 2.658 -2.337) 3.552 4.709 ( 0.088 0.169 0.046) 0.196 4.723 ( -0.576 -0.255 -1.128) 1.292 4.789 ( -1.180 0.622 0.978) 1.654 4.792 ( 0.204 1.133 0.614) 1.305 5.080 ( 0.704 -2.137 -0.183) 2.258 5.083 ( 0.822 -1.892 -0.381) 2.097 5.170 ( -1.390 -2.960 0.037) 3.270 5.176 ( -2.398 -2.827 -0.463) 3.736 5.258 ( -0.489 -1.774 2.005) 2.721 5.303 ( -1.787 -1.460 -2.125) 3.137 5.432 ( -3.169 -0.089 0.625) 3.231 5.459 ( -2.277 0.116 -1.467) 2.711 5.536 ( -4.224 -0.363 2.530) 4.937 5.555 ( -1.686 0.107 0.925) 1.926 5.596 ( -3.724 0.652 -0.001) 3.780 5.617 ( -5.881 0.050 -1.527) 6.077 5.788 ( 0.256 -0.255 1.338) 1.386 5.819 ( 0.929 -0.200 -1.458) 1.741 6.067 ( 4.874 -0.172 1.614) 5.137 6.101 ( 4.926 -0.109 -1.431) 5.131 6.160 ( 0.436 -0.768 1.862) 2.061 6.216 ( 0.320 -0.341 -3.389) 3.421 6.330 ( -0.092 -0.221 1.532) 1.551 6.348 ( -0.135 -0.694 -0.290) 0.764 ======================= Grid point 208 (74/98) ======================= q-point: (-0.46 0.15 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 254 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.438 ( -10.982 -2.480 2.957) 11.641 1.503 ( -7.893 0.281 -1.701) 8.079 1.584 ( -9.948 1.080 3.016) 10.451 1.671 ( -6.617 -0.723 -3.308) 7.433 1.768 ( -2.325 -1.345 0.708) 2.777 1.800 ( -1.498 -3.932 -0.339) 4.221 1.873 ( -4.645 -3.439 2.423) 6.267 1.927 ( -7.816 -3.311 -1.843) 8.686 1.970 ( -1.422 -1.891 3.128) 3.922 2.011 ( -1.159 -3.882 -0.470) 4.079 2.033 ( -0.328 -3.355 -0.800) 3.464 2.054 ( 0.018 -1.131 -2.178) 2.454 2.297 ( -0.876 0.375 3.077) 3.221 2.322 ( -2.095 -0.551 0.201) 2.176 2.479 ( 0.065 0.294 1.102) 1.142 2.502 ( 0.428 1.180 -0.745) 1.460 2.534 ( -1.179 1.101 3.045) 3.446 2.577 ( 0.698 0.483 1.791) 1.982 2.768 ( -2.535 0.381 -6.360) 6.857 2.785 ( -2.394 -0.797 -6.012) 6.520 2.823 ( -2.619 -1.130 0.972) 3.013 2.860 ( -2.799 -2.178 -3.867) 5.247 3.005 ( 0.688 0.361 1.967) 2.115 3.063 ( 1.063 0.541 -2.214) 2.515 3.124 ( -7.312 1.918 2.424) 7.939 3.189 ( -8.286 0.894 -4.140) 9.306 3.237 ( -4.130 0.014 1.170) 4.292 3.270 ( -3.752 -0.327 -1.379) 4.011 3.434 ( 0.525 1.080 4.441) 4.601 3.502 ( -3.023 -0.306 0.387) 3.063 3.525 ( -6.681 5.093 0.978) 8.458 3.550 ( -1.603 4.020 -3.000) 5.266 3.584 ( -6.043 -2.074 4.231) 7.663 3.646 ( -1.661 -1.981 0.894) 2.735 3.666 ( -0.966 2.809 1.577) 3.363 3.695 ( -1.583 1.978 -0.184) 2.540 4.343 ( -1.595 0.521 2.394) 2.924 4.385 ( -2.481 0.127 -0.794) 2.608 4.415 ( -2.520 1.951 -0.774) 3.280 4.432 ( -3.615 2.984 -1.169) 4.831 4.545 ( -0.876 0.287 1.403) 1.679 4.583 ( -0.654 0.116 -2.077) 2.181 4.676 ( -3.260 -0.487 0.790) 3.390 4.691 ( -2.725 -0.624 -0.619) 2.863 4.786 ( 0.993 1.397 1.127) 2.051 4.810 ( 2.127 2.171 -1.036) 3.211 5.095 ( 0.099 -1.145 0.457) 1.237 5.114 ( 1.585 -1.065 -1.147) 2.228 5.187 ( 1.047 -3.740 -0.218) 3.890 5.195 ( 1.879 -3.918 -0.769) 4.413 5.275 ( 0.965 -2.877 0.497) 3.075 5.282 ( -0.849 -2.736 -0.113) 2.866 5.379 ( -2.497 -0.186 1.648) 2.998 5.408 ( -2.319 0.643 0.406) 2.441 5.452 ( -3.442 -0.605 -0.085) 3.496 5.479 ( -4.797 0.229 -1.285) 4.972 5.539 ( -1.119 0.070 2.077) 2.360 5.582 ( -0.055 0.276 -1.878) 1.899 5.798 ( 0.525 -0.624 1.990) 2.151 5.843 ( 1.351 -0.187 -2.042) 2.455 6.129 ( 0.814 -0.215 2.274) 2.425 6.164 ( 1.451 0.250 -0.078) 1.475 6.187 ( 2.085 -0.901 -0.472) 2.320 6.215 ( -0.637 -0.532 -2.675) 2.800 6.322 ( -1.003 -0.837 1.966) 2.360 6.351 ( -0.091 -1.575 -0.886) 1.809 ======================= Grid point 209 (75/98) ======================= q-point: (-0.38 0.15 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 254 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.212 ( -12.758 1.367 4.265) 13.521 1.330 ( -9.214 3.030 -4.489) 10.688 1.357 ( -11.779 4.340 5.447) 13.684 1.508 ( -8.720 3.411 -6.726) 11.528 1.715 ( -5.401 -1.229 2.443) 6.054 1.723 ( -7.872 -3.905 2.239) 9.068 1.803 ( -5.269 -5.862 0.655) 7.909 1.860 ( -2.063 -4.929 -2.847) 6.054 1.957 ( -1.876 -2.707 2.614) 4.205 2.001 ( -2.296 -5.248 -0.069) 5.729 2.050 ( -0.655 -1.982 -0.100) 2.090 2.067 ( -0.775 -1.069 -2.532) 2.856 2.252 ( -2.854 0.969 2.011) 3.623 2.266 ( -3.487 0.530 0.596) 3.577 2.392 ( -8.504 1.887 4.451) 9.782 2.453 ( -8.141 1.666 -1.040) 8.375 2.512 ( -1.182 1.843 1.105) 2.453 2.557 ( -1.283 1.302 -0.344) 1.860 2.682 ( -4.846 0.575 -2.305) 5.397 2.723 ( -3.331 -0.698 -2.024) 3.960 2.752 ( -6.446 -0.548 0.435) 6.484 2.785 ( -3.530 -0.563 -4.869) 6.040 2.910 ( -6.141 1.160 -0.002) 6.249 2.939 ( -7.367 1.312 -1.378) 7.609 3.056 ( -2.645 0.781 2.643) 3.820 3.118 ( -2.253 0.595 -1.545) 2.796 3.148 ( -5.604 -1.595 -0.090) 5.827 3.211 ( -3.349 0.583 -3.187) 4.660 3.290 ( -11.072 3.129 0.970) 11.547 3.309 ( -9.973 2.752 -0.619) 10.364 3.507 ( 3.733 1.668 0.186) 4.093 3.533 ( 1.413 0.696 -0.148) 1.582 3.591 ( 2.515 -0.264 2.221) 3.365 3.653 ( 0.646 -0.559 -2.169) 2.331 3.677 ( 2.053 -0.272 3.714) 4.253 3.701 ( 1.727 0.416 1.724) 2.476 4.273 ( -5.000 2.627 1.936) 5.971 4.292 ( -5.440 2.900 0.092) 6.165 4.333 ( -4.237 2.128 1.289) 4.913 4.380 ( -2.115 -0.712 -3.327) 4.006 4.536 ( -0.886 -1.975 1.683) 2.741 4.578 ( -2.009 -2.846 -1.878) 3.958 4.615 ( -2.117 -0.831 0.736) 2.391 4.641 ( -2.050 -0.719 -0.897) 2.351 4.793 ( 0.632 2.111 1.756) 2.817 4.834 ( 1.574 2.664 -1.895) 3.629 5.113 ( 1.051 -0.729 1.053) 1.657 5.151 ( 1.511 -1.025 -2.533) 3.122 5.239 ( 2.429 -2.080 0.849) 3.308 5.248 ( 1.109 -2.355 0.354) 2.627 5.290 ( 0.084 -1.500 0.575) 1.608 5.317 ( 0.665 -2.165 -1.661) 2.809 5.346 ( 0.002 0.119 3.175) 3.177 5.400 ( 0.963 0.025 -1.030) 1.410 5.417 ( 1.900 0.403 1.099) 2.231 5.438 ( 0.299 0.038 -1.075) 1.117 5.534 ( 0.655 -0.139 1.952) 2.064 5.591 ( 1.179 0.123 -2.972) 3.200 5.813 ( 0.389 -0.936 2.563) 2.756 5.868 ( 0.988 -0.066 -2.555) 2.740 6.107 ( -2.706 -0.142 2.279) 3.541 6.155 ( -2.307 0.569 -1.925) 3.058 6.203 ( -0.422 -0.549 0.020) 0.693 6.222 ( 0.460 -0.621 -1.209) 1.435 6.310 ( -0.915 -2.385 3.186) 4.083 6.363 ( 0.167 -2.504 -1.826) 3.104 ======================= Grid point 210 (76/98) ======================= q-point: (-0.31 0.15 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 254 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.949 ( -11.949 6.472 6.158) 14.919 1.101 ( -11.492 7.108 8.320) 15.869 1.129 ( -8.697 6.366 -7.471) 13.114 1.315 ( -9.469 4.370 -9.322) 13.988 1.567 ( -10.640 -2.180 3.227) 11.330 1.587 ( -8.569 -0.216 1.613) 8.722 1.711 ( -6.321 1.936 5.566) 8.642 1.817 ( -3.788 -0.272 -2.672) 4.644 1.922 ( -4.214 -3.271 -0.077) 5.335 1.957 ( -5.483 -3.626 -2.132) 6.911 1.981 ( -5.829 0.947 1.310) 6.049 2.037 ( -2.780 -0.916 -2.251) 3.693 2.162 ( -9.936 2.512 2.206) 10.483 2.192 ( -9.937 1.466 -0.236) 10.047 2.223 ( -1.864 0.745 1.092) 2.286 2.234 ( -2.580 0.866 -0.277) 2.736 2.469 ( -1.951 1.522 0.650) 2.559 2.507 ( -2.957 2.238 -2.454) 4.447 2.609 ( -2.214 1.078 2.619) 3.595 2.637 ( -4.083 2.612 0.079) 4.848 2.684 ( -2.093 -0.887 0.272) 2.289 2.736 ( -1.336 0.156 -3.980) 4.201 2.820 ( -3.355 -1.065 0.328) 3.536 2.846 ( -4.159 -1.129 -2.662) 5.065 2.944 ( -8.337 1.778 3.370) 9.167 2.995 ( -7.892 2.298 -0.154) 8.222 3.033 ( -5.860 0.819 -0.441) 5.933 3.120 ( -4.168 0.498 -8.693) 9.653 3.144 ( -4.221 -2.497 3.767) 6.184 3.200 ( -3.472 -3.869 -1.078) 5.310 3.546 ( 1.444 2.383 -0.068) 2.787 3.562 ( 2.218 1.966 0.356) 2.985 3.634 ( 1.884 0.431 2.902) 3.487 3.694 ( 2.583 -1.774 -0.594) 3.189 3.734 ( 2.685 -0.431 2.283) 3.551 3.736 ( 2.578 -0.407 0.056) 2.610 4.147 ( -5.901 2.740 1.362) 6.647 4.166 ( -5.767 2.771 -0.413) 6.412 4.229 ( -6.298 0.635 3.523) 7.245 4.320 ( -5.617 -2.297 -5.141) 7.953 4.505 ( -3.870 -3.382 1.190) 5.275 4.529 ( -2.584 -2.206 0.121) 3.400 4.614 ( 0.525 -1.937 1.227) 2.352 4.662 ( 2.772 -0.269 -2.850) 3.985 4.795 ( 1.049 2.104 1.107) 2.599 4.842 ( 0.937 2.645 -2.709) 3.900 5.138 ( 1.246 -0.206 1.552) 2.001 5.175 ( 0.513 -0.736 -1.656) 1.883 5.254 ( -0.405 -1.999 1.322) 2.430 5.281 ( 0.599 -0.966 -0.299) 1.175 5.312 ( 0.760 -0.162 0.422) 0.884 5.340 ( 2.791 -0.110 -0.761) 2.895 5.366 ( 1.971 0.963 4.469) 4.978 5.453 ( 4.076 1.197 0.880) 4.338 5.472 ( 3.686 0.726 -0.393) 3.777 5.507 ( 6.555 1.666 -1.411) 6.909 5.566 ( 2.620 0.163 1.408) 2.979 5.627 ( 2.453 -0.198 -3.609) 4.368 5.818 ( -0.578 -0.979 2.506) 2.752 5.871 ( -0.862 0.146 -2.508) 2.656 6.038 ( -4.425 -0.134 1.867) 4.805 6.088 ( -4.252 0.091 -2.925) 5.162 6.191 ( -0.892 -0.149 1.166) 1.475 6.218 ( -1.090 -0.490 -1.289) 1.758 6.315 ( -0.471 -3.928 4.648) 6.104 6.388 ( 0.755 -3.623 -2.303) 4.359 ======================= Grid point 211 (77/98) ======================= q-point: (-0.23 0.15 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 254 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.708 ( -7.286 11.500 9.604) 16.661 0.839 ( -11.096 10.127 12.028) 19.245 0.948 ( -5.656 7.786 -11.670) 15.126 1.085 ( -11.096 6.209 -11.425) 17.094 1.294 ( -12.638 14.340 10.486) 21.802 1.440 ( -3.466 5.542 -0.609) 6.565 1.597 ( -2.723 3.490 8.636) 9.704 1.752 ( -3.586 1.618 -5.329) 6.624 1.795 ( -9.607 0.329 -3.134) 10.110 1.797 ( -6.303 0.547 -2.315) 6.737 1.918 ( -5.126 -2.154 1.883) 5.871 1.957 ( -5.919 -2.199 -1.745) 6.551 2.002 ( -3.202 -0.451 1.144) 3.430 2.045 ( -2.467 -0.296 -3.043) 3.928 2.247 ( 2.829 0.583 0.835) 3.007 2.256 ( 3.376 2.158 0.224) 4.013 2.431 ( -1.583 0.065 0.322) 1.617 2.444 ( -2.750 0.574 -0.657) 2.885 2.563 ( -0.867 3.721 1.765) 4.208 2.580 ( -0.814 -0.525 0.746) 1.223 2.671 ( -0.171 -0.826 0.917) 1.246 2.704 ( -5.123 -0.427 -0.967) 5.231 2.726 ( -8.198 -0.313 -1.357) 8.316 2.757 ( -1.245 2.242 -5.005) 5.623 2.824 ( -1.117 0.640 5.741) 5.883 2.891 ( -2.294 -0.843 0.070) 2.445 2.940 ( -3.882 -0.087 0.164) 3.887 3.053 ( -2.854 -0.978 -10.173) 10.611 3.112 ( -1.564 -4.464 3.999) 6.194 3.173 ( -1.753 -4.427 -1.740) 5.069 3.557 ( 1.748 3.747 1.563) 4.421 3.595 ( 2.640 2.839 1.235) 4.069 3.660 ( 1.658 1.563 2.491) 3.376 3.733 ( 1.149 3.092 -1.476) 3.614 3.772 ( 2.144 -2.240 3.174) 4.437 3.816 ( 2.892 -4.345 -1.272) 5.372 4.034 ( -4.355 1.419 1.059) 4.701 4.047 ( -5.645 1.331 -0.008) 5.799 4.098 ( -5.826 0.723 2.059) 6.221 4.177 ( -10.750 -2.695 -5.853) 12.534 4.462 ( -2.208 -3.642 2.532) 4.955 4.511 ( -0.906 -3.195 -1.241) 3.545 4.640 ( 0.703 -1.618 2.486) 3.049 4.698 ( 1.296 2.685 -1.371) 3.281 4.810 ( 1.015 1.425 -2.351) 2.930 4.852 ( 1.386 1.001 -4.519) 4.831 5.160 ( 1.038 0.887 1.310) 1.892 5.189 ( 0.534 -0.849 -0.938) 1.373 5.261 ( -0.034 -1.820 1.289) 2.230 5.290 ( 0.262 -0.396 -0.891) 1.009 5.330 ( 0.993 1.060 1.576) 2.144 5.376 ( 1.018 0.187 -2.616) 2.813 5.433 ( 5.172 1.584 7.649) 9.368 5.515 ( 3.288 3.137 2.016) 4.972 5.545 ( 4.420 1.365 2.092) 5.077 5.631 ( 4.954 1.351 1.103) 5.252 5.644 ( 7.796 1.007 -3.365) 8.550 5.679 ( 2.966 -0.177 -3.105) 4.297 5.799 ( -1.690 -0.787 1.521) 2.406 5.835 ( -2.454 0.138 -1.774) 3.031 5.944 ( -5.672 -0.710 0.875) 5.783 5.989 ( -6.640 -0.342 -3.602) 7.562 6.174 ( -0.934 0.055 0.846) 1.261 6.191 ( -1.667 -0.160 -0.812) 1.861 6.336 ( 0.000 -5.651 7.419) 9.327 6.431 ( 1.224 -4.871 -2.298) 5.523 ======================= Grid point 212 (78/98) ======================= q-point: (-0.15 0.15 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.597 ( -0.000 13.619 11.967) 18.130 0.600 ( -0.000 13.227 14.109) 19.340 0.846 ( -0.000 7.717 -11.131) 13.544 0.908 ( -0.000 9.856 -15.043) 17.984 1.051 ( -0.000 21.885 20.945) 30.293 1.396 ( -0.000 4.007 -6.114) 7.310 1.557 ( -0.000 3.051 6.061) 6.786 1.656 ( -0.000 4.019 -0.001) 4.019 1.680 ( -0.000 1.615 -5.631) 5.858 1.762 ( 0.000 -0.182 -5.142) 5.145 1.859 ( 0.000 -1.247 2.736) 3.007 1.902 ( 0.000 -2.268 -1.490) 2.714 1.993 ( 0.000 -1.373 0.790) 1.584 2.037 ( 0.000 -1.452 -3.409) 3.705 2.283 ( -0.000 0.474 1.208) 1.297 2.293 ( -0.000 1.258 0.794) 1.488 2.410 ( 0.000 -0.206 0.096) 0.227 2.414 ( 0.000 -0.479 -0.227) 0.530 2.545 ( -0.000 3.141 3.399) 4.628 2.577 ( -0.000 1.231 2.126) 2.457 2.620 ( 0.000 -1.575 -3.039) 3.423 2.627 ( -0.000 0.329 -2.434) 2.456 2.685 ( 0.000 -1.172 1.164) 1.652 2.750 ( -0.000 1.732 -4.308) 4.643 2.831 ( -0.000 1.351 6.033) 6.182 2.868 ( 0.000 -0.963 1.814) 2.054 2.903 ( 0.000 -1.285 -1.353) 1.866 3.029 ( 0.000 -0.209 -10.776) 10.778 3.127 ( 0.000 -6.107 3.226) 6.906 3.183 ( 0.000 -5.308 -1.636) 5.554 3.554 ( -0.000 6.502 3.201) 7.247 3.612 ( -0.000 2.635 3.713) 4.553 3.690 ( -0.000 0.983 -2.934) 3.094 3.720 ( -0.000 4.862 -1.117) 4.988 3.817 ( 0.000 -3.790 2.901) 4.773 3.880 ( 0.000 -4.118 -2.345) 4.739 3.965 ( -0.000 1.080 0.077) 1.083 3.969 ( -0.000 1.033 -0.240) 1.060 4.022 ( -0.000 0.871 0.886) 1.243 4.040 ( -0.000 0.733 -0.720) 1.027 4.464 ( 0.000 -4.280 3.192) 5.339 4.525 ( 0.000 -4.161 -1.742) 4.511 4.652 ( 0.000 -0.083 2.132) 2.134 4.691 ( -0.000 3.424 0.141) 3.427 4.812 ( -0.000 0.714 -2.252) 2.363 4.868 ( 0.000 -0.020 -7.092) 7.092 5.163 ( -0.000 1.759 1.190) 2.124 5.199 ( 0.000 -0.211 -1.838) 1.850 5.272 ( 0.000 -2.049 1.543) 2.565 5.294 ( -0.000 0.075 -0.441) 0.447 5.333 ( -0.000 1.436 1.894) 2.377 5.384 ( -0.000 0.482 -2.530) 2.576 5.475 ( -0.000 3.789 4.190) 5.649 5.532 ( -0.000 2.767 0.396) 2.796 5.608 ( 0.000 -1.973 5.481) 5.825 5.702 ( 0.000 -0.582 -3.285) 3.337 5.755 ( 0.000 -0.517 0.347) 0.623 5.764 ( 0.000 -0.432 -0.530) 0.684 5.801 ( -0.000 0.695 0.706) 0.991 5.815 ( -0.000 0.811 -0.541) 0.975 5.819 ( -0.000 0.433 -0.796) 0.906 5.854 ( 0.000 -0.372 -2.875) 2.899 6.162 ( -0.000 0.136 0.440) 0.460 6.171 ( -0.000 0.140 -0.423) 0.446 6.377 ( 0.000 -8.396 9.590) 12.746 6.475 ( 0.000 -5.420 -1.716) 5.685 ======================= Grid point 217 (79/98) ======================= q-point: ( 0.23 0.23 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.748 ( 3.075 -0.000 1.529) 3.435 1.764 ( 1.909 -0.000 0.006) 1.909 1.826 ( -4.579 0.000 -0.021) 4.579 1.833 ( -5.574 0.000 -0.630) 5.610 1.864 ( -1.102 0.000 0.264) 1.133 1.872 ( -1.296 0.000 -0.056) 1.297 1.999 ( 0.818 -0.000 0.495) 0.957 2.001 ( 0.478 -0.000 1.821) 1.883 2.044 ( -1.679 0.000 1.178) 2.051 2.052 ( -2.342 0.000 0.248) 2.355 2.196 ( 2.214 -0.000 -1.942) 2.945 2.202 ( 3.624 -0.000 0.240) 3.632 2.332 ( -2.102 0.000 2.232) 3.066 2.356 ( -1.669 0.000 -0.100) 1.672 2.447 ( 0.165 -0.000 -1.318) 1.328 2.453 ( -0.428 0.000 -1.001) 1.089 2.514 ( 0.409 -0.000 1.842) 1.887 2.537 ( 0.499 -0.000 -0.224) 0.547 2.777 ( -2.376 0.000 0.281) 2.392 2.803 ( -3.267 0.000 -0.357) 3.286 2.825 ( -3.672 0.000 -0.725) 3.742 2.897 ( -2.617 0.000 -1.239) 2.895 2.905 ( -3.612 0.000 -6.459) 7.400 2.922 ( -0.503 0.000 -3.069) 3.110 3.189 ( 2.347 -0.000 0.395) 2.380 3.190 ( 1.843 -0.000 0.051) 1.844 3.395 ( 4.181 -0.000 3.123) 5.219 3.424 ( 1.316 -0.000 1.435) 1.947 3.485 ( 6.124 -0.000 1.253) 6.251 3.512 ( 4.443 -0.000 -1.158) 4.592 3.598 ( 1.090 -0.000 0.784) 1.342 3.617 ( 1.826 -0.000 -0.715) 1.961 3.732 ( -0.495 0.000 1.894) 1.958 3.733 ( -0.973 0.000 1.242) 1.578 3.913 ( 4.509 -0.000 0.801) 4.579 3.924 ( 5.431 -0.000 0.111) 5.432 4.320 ( -0.582 0.000 2.561) 2.626 4.382 ( -0.591 0.000 -2.661) 2.726 4.425 ( 3.987 -0.000 2.369) 4.637 4.465 ( 3.036 -0.000 -1.003) 3.198 4.614 ( 0.644 -0.000 -2.390) 2.475 4.616 ( 0.207 -0.000 -2.146) 2.156 4.689 ( 0.217 -0.000 1.612) 1.626 4.729 ( -0.214 0.000 -1.992) 2.003 4.770 ( 0.868 -0.000 2.150) 2.319 4.792 ( 1.234 -0.000 -0.195) 1.250 5.120 ( -1.829 0.000 -0.012) 1.830 5.127 ( -2.664 0.000 -0.744) 2.766 5.252 ( -2.166 0.000 0.985) 2.380 5.261 ( -3.349 0.000 0.922) 3.474 5.299 ( 1.218 -0.000 -0.099) 1.222 5.324 ( -1.877 0.000 -1.788) 2.593 5.490 ( 1.249 -0.000 -0.215) 1.268 5.495 ( 0.727 -0.000 -0.701) 1.010 5.565 ( 0.500 -0.000 1.194) 1.295 5.573 ( 0.773 -0.000 0.456) 0.897 5.691 ( 6.171 -0.000 1.710) 6.404 5.723 ( 4.492 -0.000 -1.186) 4.646 5.801 ( -0.629 0.000 0.490) 0.798 5.809 ( -0.354 0.000 -0.237) 0.426 5.982 ( -3.797 0.000 0.662) 3.854 6.003 ( -5.097 0.000 -1.148) 5.225 6.167 ( -1.201 0.000 1.395) 1.841 6.213 ( -0.743 0.000 -3.097) 3.185 6.335 ( -0.605 0.000 1.921) 2.014 6.359 ( -0.879 0.000 -0.536) 1.030 ======================= Grid point 218 (80/98) ======================= q-point: (-0.69 0.23 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 254 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.703 ( -7.174 0.450 0.327) 7.196 1.720 ( -5.229 0.331 -1.130) 5.360 1.775 ( -2.436 -1.122 0.746) 2.784 1.783 ( -0.248 -1.218 0.103) 1.247 1.804 ( -3.497 0.063 2.866) 4.522 1.837 ( -0.407 -0.133 -0.191) 0.469 1.981 ( -3.946 0.130 3.266) 5.124 1.989 ( -3.233 0.016 -0.374) 3.254 2.016 ( -0.091 0.188 2.099) 2.109 2.023 ( 0.318 -0.286 -2.074) 2.118 2.225 ( -1.957 1.452 0.848) 2.581 2.247 ( -4.523 -1.486 1.073) 4.880 2.259 ( -0.712 0.664 0.048) 0.975 2.315 ( 0.288 -0.206 -3.209) 3.228 2.444 ( -0.361 -0.273 -0.378) 0.590 2.456 ( 0.535 -0.865 -1.046) 1.459 2.545 ( 1.936 0.399 1.069) 2.247 2.549 ( 1.000 0.335 0.937) 1.411 2.756 ( -0.665 -0.087 1.209) 1.382 2.763 ( 0.726 -0.753 0.767) 1.297 2.783 ( -0.159 -0.393 -0.462) 0.627 2.863 ( -0.227 0.737 -7.227) 7.268 2.889 ( 0.927 -1.088 -2.494) 2.875 2.932 ( 1.430 -0.268 -5.672) 5.856 3.229 ( 1.797 0.091 1.260) 2.197 3.238 ( 1.946 0.262 0.901) 2.160 3.425 ( -1.123 0.199 3.034) 3.242 3.438 ( 0.131 0.154 0.663) 0.693 3.552 ( 0.304 0.788 3.426) 3.529 3.582 ( 3.456 1.492 -0.045) 3.765 3.615 ( 0.683 -0.069 -0.199) 0.714 3.631 ( -0.860 0.275 0.173) 0.920 3.670 ( -4.567 -0.434 1.539) 4.838 3.680 ( -4.178 -0.190 0.173) 4.185 3.928 ( -2.990 -0.361 1.529) 3.377 3.960 ( -1.993 -0.148 -1.276) 2.371 4.323 ( 0.810 -0.344 2.907) 3.038 4.377 ( 0.216 -0.383 -1.720) 1.775 4.498 ( 2.569 0.568 1.310) 2.938 4.503 ( 1.026 -0.170 0.552) 1.177 4.602 ( -1.281 0.594 -2.851) 3.182 4.627 ( 1.363 0.870 -3.842) 4.168 4.701 ( 0.802 0.102 0.742) 1.097 4.721 ( -0.250 0.192 -0.892) 0.946 4.792 ( 0.957 -0.368 2.009) 2.256 4.810 ( 0.100 -0.201 0.104) 0.248 5.070 ( -2.649 -0.302 0.119) 2.669 5.077 ( -2.187 -0.223 -0.538) 2.263 5.196 ( -3.350 -0.271 0.741) 3.442 5.208 ( -2.618 -0.380 -0.377) 2.672 5.277 ( -2.717 -0.151 1.423) 3.071 5.312 ( -0.202 -0.158 -1.650) 1.670 5.484 ( -1.800 0.044 -0.503) 1.870 5.492 ( -1.038 -0.053 -0.986) 1.433 5.567 ( -0.418 -0.072 1.500) 1.559 5.576 ( -0.481 0.017 0.437) 0.650 5.708 ( -5.611 0.078 1.277) 5.755 5.731 ( -3.513 0.007 -0.705) 3.583 5.788 ( -0.348 0.081 0.698) 0.784 5.805 ( 0.169 -0.074 -0.849) 0.868 5.973 ( 3.239 0.004 1.016) 3.394 5.998 ( 4.781 -0.058 -1.179) 4.924 6.151 ( -0.346 -0.092 1.751) 1.787 6.206 ( 0.060 -0.065 -3.482) 3.483 6.329 ( -0.054 -0.001 1.694) 1.694 6.347 ( -0.341 -0.036 -0.318) 0.467 ======================= Grid point 219 (81/98) ======================= q-point: (-0.62 0.23 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 254 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.563 ( -7.876 -2.313 2.336) 8.535 1.618 ( -5.876 -1.191 -2.563) 6.521 1.709 ( -4.116 -1.663 1.551) 4.702 1.712 ( -4.790 -0.720 2.573) 5.485 1.795 ( -1.026 -0.657 0.606) 1.361 1.851 ( -1.023 0.997 -2.419) 2.809 1.894 ( -3.368 -1.086 3.782) 5.179 1.936 ( -1.379 -1.407 -0.697) 2.089 2.001 ( -1.371 -0.003 2.771) 3.092 2.022 ( -1.412 -0.855 -1.427) 2.182 2.093 ( -8.543 -0.518 -1.053) 8.623 2.106 ( -7.815 -0.554 -2.851) 8.337 2.291 ( 1.549 0.030 3.055) 3.425 2.338 ( 0.323 0.247 -0.717) 0.824 2.451 ( 0.935 -0.781 1.439) 1.885 2.480 ( 1.420 -0.885 -1.249) 2.088 2.564 ( 0.425 0.799 1.384) 1.654 2.568 ( 0.976 0.948 1.071) 1.731 2.773 ( 1.937 -0.048 -1.029) 2.194 2.792 ( 0.437 -0.714 -1.438) 1.664 2.812 ( 1.636 -0.768 -1.872) 2.602 2.857 ( -0.144 -0.425 -7.867) 7.880 2.942 ( 3.824 -0.382 -0.055) 3.843 2.992 ( 4.296 -0.133 -4.261) 6.052 3.242 ( -1.333 0.810 1.200) 1.968 3.251 ( 0.060 -0.194 0.425) 0.471 3.363 ( -5.486 0.919 1.287) 5.709 3.386 ( -5.700 0.489 -1.345) 5.877 3.511 ( -4.306 1.863 5.804) 7.463 3.533 ( -4.454 -1.606 4.243) 6.358 3.582 ( -3.093 -2.540 2.255) 4.594 3.600 ( -2.541 0.890 -1.732) 3.201 3.636 ( 1.393 2.616 -0.500) 3.006 3.668 ( 1.161 0.615 -1.168) 1.758 3.821 ( -7.406 0.519 2.263) 7.762 3.859 ( -7.690 1.251 -1.258) 7.892 4.345 ( 0.923 -0.365 2.758) 2.931 4.388 ( 0.156 -0.846 -0.907) 1.250 4.479 ( -2.044 0.323 -0.048) 2.069 4.512 ( -1.793 0.676 -2.370) 3.047 4.587 ( 0.285 2.039 0.931) 2.260 4.637 ( -0.110 2.922 -2.884) 4.107 4.707 ( -0.534 -0.636 0.091) 0.836 4.717 ( -1.046 -0.820 -0.642) 1.476 4.797 ( -0.640 0.678 1.334) 1.628 4.805 ( 1.092 1.042 0.343) 1.548 5.058 ( 1.027 -1.669 -0.054) 1.960 5.064 ( 0.721 -1.481 -0.552) 1.738 5.145 ( -2.201 -1.455 0.054) 2.639 5.151 ( -3.247 -1.617 -0.472) 3.658 5.241 ( -1.198 -1.137 2.227) 2.773 5.289 ( -2.306 -0.899 -2.179) 3.298 5.432 ( -3.224 -0.017 0.489) 3.261 5.460 ( -2.034 0.066 -1.811) 2.724 5.533 ( -4.388 -0.219 3.001) 5.321 5.556 ( -1.690 0.066 0.851) 1.894 5.602 ( -3.278 0.425 -0.216) 3.312 5.617 ( -6.325 -0.060 -1.408) 6.480 5.786 ( 0.130 -0.086 1.319) 1.329 5.818 ( 0.935 -0.128 -1.477) 1.753 6.066 ( 4.891 -0.094 1.687) 5.175 6.100 ( 4.985 -0.076 -1.413) 5.182 6.153 ( 0.256 -0.452 2.017) 2.083 6.213 ( 0.283 -0.208 -3.556) 3.573 6.329 ( -0.100 -0.051 1.312) 1.317 6.342 ( -0.495 -0.408 -0.087) 0.647 ======================= Grid point 220 (82/98) ======================= q-point: (-0.54 0.23 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 254 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.417 ( -8.795 -1.366 3.100) 9.425 1.499 ( -7.189 -0.756 -4.389) 8.457 1.604 ( -7.000 2.165 4.542) 8.621 1.646 ( -4.348 -2.945 0.724) 5.302 1.760 ( -2.706 -2.229 -1.602) 3.854 1.767 ( -4.036 -0.838 0.738) 4.187 1.847 ( -5.931 -0.878 0.928) 6.067 1.895 ( -8.590 -2.129 -0.720) 8.879 1.951 ( -1.809 -1.489 1.990) 3.074 1.975 ( -1.226 -2.877 -1.554) 3.492 2.002 ( -0.837 -2.327 0.269) 2.487 2.044 ( 0.035 -0.725 -2.209) 2.325 2.300 ( -0.794 0.212 2.923) 3.036 2.316 ( -2.547 -0.643 1.041) 2.826 2.480 ( 1.236 0.038 0.742) 1.442 2.510 ( 1.008 0.190 -1.661) 1.952 2.550 ( -1.182 1.631 3.217) 3.795 2.582 ( 0.880 0.534 1.909) 2.169 2.768 ( -3.473 -0.637 -3.040) 4.660 2.776 ( -3.238 -0.743 -6.106) 6.951 2.815 ( -1.437 -0.405 -1.453) 2.084 2.846 ( -2.583 -0.459 -4.520) 5.226 3.006 ( 1.467 -0.020 1.590) 2.164 3.066 ( 2.145 0.091 -2.932) 3.634 3.146 ( -7.522 2.058 1.610) 7.963 3.194 ( -7.799 -0.082 -3.613) 8.596 3.238 ( -5.628 0.302 1.418) 5.812 3.265 ( -4.606 -0.644 -1.061) 4.770 3.442 ( 0.537 0.413 4.196) 4.250 3.500 ( -1.266 0.204 2.185) 2.533 3.554 ( -2.302 -1.498 3.517) 4.462 3.566 ( -1.060 -1.721 0.178) 2.029 3.587 ( -7.191 4.778 0.518) 8.649 3.652 ( -2.907 2.747 -1.656) 4.329 3.692 ( -2.146 1.849 1.265) 3.102 3.710 ( -3.746 0.676 0.002) 3.806 4.346 ( -1.220 0.177 2.180) 2.505 4.379 ( -1.800 -0.800 -0.547) 2.045 4.431 ( -2.493 1.024 -0.617) 2.765 4.458 ( -3.136 1.353 -2.167) 4.045 4.557 ( -2.044 1.935 1.435) 3.159 4.593 ( -2.540 1.510 -1.444) 3.289 4.668 ( -3.573 -1.014 0.767) 3.793 4.681 ( -3.004 -1.146 -0.299) 3.229 4.803 ( 1.342 1.476 1.400) 2.437 4.834 ( 2.464 2.028 -1.436) 3.499 5.086 ( 0.647 -0.521 0.404) 0.923 5.106 ( 2.027 -0.502 -1.191) 2.404 5.148 ( 1.965 -3.209 -0.085) 3.763 5.156 ( 2.478 -3.084 -0.549) 3.994 5.245 ( 0.702 -2.515 0.406) 2.642 5.254 ( -1.388 -2.251 -0.408) 2.676 5.378 ( -2.411 -0.077 1.777) 2.996 5.416 ( -2.263 0.790 -0.127) 2.401 5.445 ( -3.271 -0.718 0.427) 3.376 5.482 ( -4.908 0.192 -1.428) 5.115 5.539 ( -1.320 0.031 2.236) 2.597 5.585 ( -0.049 0.180 -1.955) 1.964 5.793 ( 0.394 -0.371 2.078) 2.147 5.841 ( 1.374 -0.151 -2.310) 2.692 6.127 ( 0.643 -0.211 2.721) 2.804 6.165 ( 1.586 -0.060 0.579) 1.689 6.179 ( 2.493 -0.503 -1.025) 2.742 6.210 ( -0.863 -0.424 -2.856) 3.014 6.316 ( -1.387 -0.270 1.383) 1.977 6.336 ( -0.460 -1.223 -0.506) 1.401 ======================= Grid point 221 (83/98) ======================= q-point: (-0.46 0.23 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 254 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.239 ( -9.130 3.512 3.205) 10.294 1.348 ( -8.545 1.270 -6.987) 11.111 1.427 ( -8.153 7.307 7.070) 13.033 1.537 ( -7.347 1.889 -3.122) 8.203 1.676 ( -8.294 -4.201 2.336) 9.586 1.717 ( -6.320 1.268 -1.088) 6.537 1.736 ( -3.835 -6.323 2.038) 7.671 1.797 ( -1.404 -6.469 -1.845) 6.872 1.929 ( -2.357 -2.101 2.118) 3.802 1.957 ( -1.592 -2.533 0.132) 2.995 2.027 ( 0.099 -2.308 -0.606) 2.388 2.054 ( -0.655 -1.256 -2.845) 3.178 2.255 ( -2.774 -0.425 2.534) 3.781 2.268 ( -2.536 0.041 1.761) 3.088 2.415 ( -8.686 2.136 3.252) 9.518 2.470 ( -7.879 1.472 -1.509) 8.156 2.532 ( -0.053 1.836 0.865) 2.030 2.570 ( -1.238 1.196 0.592) 1.820 2.676 ( -4.167 -1.746 -0.983) 4.624 2.701 ( -3.755 -2.908 0.408) 4.766 2.754 ( -5.389 0.747 -3.216) 6.320 2.782 ( -3.046 0.156 -6.285) 6.986 2.930 ( -6.607 2.132 -0.379) 6.953 2.959 ( -8.303 1.981 -1.568) 8.679 3.061 ( -2.937 0.326 1.772) 3.445 3.110 ( -3.054 -1.886 -3.669) 5.132 3.144 ( -3.932 0.524 3.932) 5.586 3.204 ( -2.794 -1.395 -1.487) 3.459 3.333 ( -12.937 4.239 0.583) 13.626 3.350 ( -10.867 4.279 -0.947) 11.717 3.523 ( 4.305 1.295 0.228) 4.502 3.538 ( 1.702 0.351 1.820) 2.517 3.588 ( 2.195 -0.197 1.064) 2.447 3.643 ( -0.036 -0.707 -1.090) 1.300 3.673 ( 0.868 -0.809 2.463) 2.734 3.706 ( 1.874 0.292 0.255) 1.914 4.292 ( -4.208 1.028 2.059) 4.796 4.316 ( -4.812 1.241 0.207) 4.974 4.365 ( -5.138 3.299 -0.105) 6.107 4.377 ( -2.871 0.427 -1.957) 3.501 4.515 ( -2.308 -1.804 1.063) 3.117 4.548 ( -2.561 -2.353 -1.479) 3.779 4.604 ( -2.911 -1.260 1.067) 3.347 4.631 ( -2.087 -1.116 -0.692) 2.466 4.814 ( 0.801 1.740 2.136) 2.869 4.862 ( 1.680 2.446 -2.169) 3.675 5.110 ( 1.411 0.128 0.775) 1.615 5.142 ( 1.678 -0.640 -2.309) 2.925 5.218 ( 3.228 -1.686 0.849) 3.739 5.224 ( 1.622 -2.069 0.659) 2.710 5.273 ( 1.659 -1.591 -0.235) 2.311 5.291 ( 1.499 -2.465 -1.664) 3.331 5.349 ( 0.666 0.408 3.099) 3.196 5.401 ( 0.502 0.064 -1.107) 1.217 5.421 ( 2.496 0.409 1.072) 2.748 5.438 ( 0.472 -0.057 -0.554) 0.730 5.532 ( 0.646 -0.174 2.080) 2.184 5.593 ( 1.097 0.199 -3.181) 3.371 5.804 ( 0.342 -0.668 2.751) 2.852 5.867 ( 1.045 -0.123 -3.186) 3.355 6.105 ( -2.625 -0.275 2.848) 3.883 6.160 ( -2.687 0.289 -2.127) 3.439 6.197 ( 0.001 -0.568 0.198) 0.601 6.216 ( 0.542 -0.469 -1.151) 1.356 6.289 ( -1.624 -1.499 2.848) 3.605 6.338 ( -0.276 -2.045 -1.762) 2.713 ======================= Grid point 222 (84/98) ======================= q-point: (-0.38 0.23 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 254 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.036 ( -8.213 9.019 4.003) 12.838 1.162 ( -8.852 5.235 -3.535) 10.875 1.228 ( -7.441 10.311 3.114) 13.091 1.360 ( -9.451 3.837 -5.586) 11.630 1.537 ( -8.169 -3.412 3.073) 9.371 1.582 ( -5.839 -0.502 -0.295) 5.868 1.722 ( -1.476 -0.009 4.038) 4.299 1.803 ( -1.725 -2.665 -1.158) 3.379 1.882 ( -4.322 -3.646 0.812) 5.713 1.925 ( -3.573 -1.765 -2.631) 4.776 1.990 ( -5.154 0.453 0.561) 5.204 2.024 ( -2.170 -1.448 -1.269) 2.901 2.185 ( -11.657 1.663 1.613) 11.885 2.207 ( -14.246 0.624 -0.020) 14.259 2.232 ( -0.762 1.335 1.811) 2.375 2.246 ( 0.986 1.019 0.408) 1.475 2.491 ( -2.496 2.497 0.577) 3.577 2.535 ( -2.984 2.760 -2.731) 4.897 2.616 ( -2.711 0.264 2.242) 3.527 2.658 ( -3.099 1.050 1.332) 3.533 2.670 ( -1.673 -1.757 0.691) 2.523 2.733 ( -1.777 -0.466 -3.840) 4.257 2.818 ( -4.287 0.815 -1.487) 4.610 2.841 ( -3.710 0.311 -4.637) 5.947 2.961 ( -7.615 0.980 3.989) 8.653 3.025 ( -8.006 2.543 -0.942) 8.453 3.036 ( -5.645 0.053 0.686) 5.687 3.105 ( -8.156 -1.665 -1.200) 8.411 3.148 ( -6.187 0.796 -1.009) 6.319 3.167 ( -2.196 -0.760 -1.665) 2.859 3.563 ( 0.786 0.655 0.515) 1.145 3.578 ( 2.215 0.905 1.831) 3.012 3.633 ( 2.129 -0.846 0.397) 2.325 3.673 ( 2.545 -1.775 -1.527) 3.459 3.708 ( 1.705 -2.190 2.218) 3.553 3.755 ( 3.181 1.943 -0.532) 3.765 4.176 ( -6.284 2.423 1.643) 6.932 4.197 ( -6.110 2.713 -0.186) 6.688 4.238 ( -6.752 1.221 2.245) 7.220 4.296 ( -6.478 -1.896 -3.169) 7.457 4.470 ( -3.758 -3.128 1.528) 5.123 4.506 ( -2.627 -2.120 -0.654) 3.438 4.589 ( 0.058 -2.480 2.144) 3.279 4.654 ( 3.345 -1.140 -3.572) 5.025 4.818 ( 0.850 2.131 2.053) 3.079 4.872 ( 0.899 2.757 -2.693) 3.958 5.137 ( 1.586 -0.001 1.540) 2.210 5.168 ( 0.357 -0.469 -0.982) 1.145 5.232 ( -0.046 -2.073 0.760) 2.209 5.268 ( 0.408 -1.532 -1.376) 2.100 5.311 ( 1.693 0.007 0.343) 1.727 5.338 ( 3.138 -0.209 -1.816) 3.632 5.382 ( 2.800 1.732 4.994) 5.982 5.458 ( 4.450 -0.134 -0.519) 4.482 5.483 ( 4.704 1.060 2.651) 5.502 5.525 ( 7.044 1.498 -1.057) 7.279 5.569 ( 3.181 0.295 0.466) 3.228 5.626 ( 2.446 0.107 -3.893) 4.599 5.808 ( -0.444 -0.719 2.706) 2.835 5.871 ( -0.898 -0.097 -3.420) 3.537 6.036 ( -4.605 -0.234 2.332) 5.167 6.088 ( -4.590 -0.149 -2.671) 5.313 6.189 ( -0.755 -0.141 0.969) 1.236 6.213 ( -0.955 -0.389 -1.143) 1.540 6.277 ( -0.850 -2.849 4.472) 5.371 6.350 ( 0.170 -3.158 -2.425) 3.986 ======================= Grid point 223 (85/98) ======================= q-point: (-0.31 0.23 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 254 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.845 ( -4.769 13.061 6.625) 15.402 0.949 ( -9.222 9.652 7.006) 15.076 1.046 ( -5.331 9.721 -8.012) 13.678 1.147 ( -9.152 5.129 -8.951) 13.791 1.413 ( -4.053 6.864 6.754) 10.448 1.503 ( -0.893 5.497 0.484) 5.590 1.661 ( -2.459 7.702 6.850) 10.597 1.766 ( -2.343 0.525 -1.621) 2.897 1.786 ( -7.094 -1.879 -1.075) 7.416 1.804 ( -7.655 1.575 -2.836) 8.314 1.898 ( -4.982 -1.384 1.472) 5.377 1.936 ( -7.157 -1.690 -1.610) 7.528 2.001 ( -3.541 0.136 0.929) 3.663 2.048 ( -2.377 0.783 -3.525) 4.323 2.250 ( 2.432 0.164 2.126) 3.234 2.287 ( 3.742 3.316 -0.734) 5.053 2.434 ( -2.367 0.475 0.551) 2.477 2.452 ( -3.682 0.983 -0.856) 3.906 2.573 ( -1.184 -0.572 1.815) 2.241 2.606 ( -1.043 3.716 -0.723) 3.927 2.661 ( -0.265 -1.083 2.249) 2.511 2.698 ( -4.149 -0.495 -1.480) 4.433 2.722 ( -6.855 -0.275 -1.012) 6.935 2.782 ( -1.225 2.148 -5.813) 6.317 2.828 ( -2.346 0.150 5.119) 5.633 2.886 ( -3.632 -0.025 0.034) 3.633 2.937 ( -4.651 -0.491 -0.306) 4.686 3.016 ( -3.782 -4.882 -6.113) 8.690 3.086 ( -1.653 -1.307 2.410) 3.202 3.138 ( -1.378 -1.572 -2.328) 3.129 3.578 ( 1.318 -0.305 2.424) 2.776 3.617 ( 2.453 1.078 2.762) 3.848 3.672 ( 1.743 0.649 0.939) 2.083 3.729 ( 1.947 -1.576 -1.045) 2.714 3.762 ( 1.832 -4.965 -0.601) 5.326 3.792 ( 2.151 3.730 -0.969) 4.413 4.052 ( -4.997 1.729 1.057) 5.392 4.064 ( -6.305 1.718 0.037) 6.535 4.106 ( -5.615 0.741 1.364) 5.826 4.151 ( -9.202 -1.908 -2.983) 9.860 4.426 ( -2.178 -2.894 2.724) 4.532 4.481 ( -1.209 -2.422 -1.471) 3.081 4.616 ( 0.776 -2.530 3.933) 4.741 4.719 ( 2.439 1.115 -4.419) 5.169 4.827 ( 1.086 1.630 -1.095) 2.244 4.871 ( 0.584 2.409 -3.300) 4.127 5.166 ( 1.253 0.233 1.162) 1.724 5.175 ( 0.224 -1.468 0.988) 1.783 5.244 ( 0.052 -1.375 0.090) 1.378 5.282 ( 0.549 -1.157 -2.241) 2.581 5.342 ( 1.422 1.054 1.295) 2.193 5.379 ( 1.323 0.337 -2.309) 2.682 5.449 ( 4.939 1.331 8.203) 9.667 5.544 ( 4.083 0.791 -0.153) 4.162 5.560 ( 3.632 2.660 4.565) 6.411 5.645 ( 5.882 1.046 -0.305) 5.982 5.658 ( 5.910 1.369 -3.518) 7.012 5.681 ( 4.355 0.837 -2.767) 5.227 5.791 ( -1.565 -0.636 1.549) 2.292 5.834 ( -2.751 -0.343 -2.660) 3.842 5.936 ( -6.018 -0.660 1.484) 6.233 5.986 ( -6.451 -0.255 -3.302) 7.251 6.174 ( -0.838 0.056 0.697) 1.091 6.190 ( -1.410 -0.106 -0.722) 1.588 6.286 ( -0.159 -3.528 6.602) 7.488 6.379 ( 0.655 -4.427 -2.562) 5.156 ======================= Grid point 224 (86/98) ======================= q-point: (-0.23 0.23 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.747 ( -0.000 13.364 8.610) 15.898 0.750 ( -0.000 13.918 10.806) 17.621 0.937 ( -0.000 8.478 -8.760) 12.191 1.011 ( -0.000 8.802 -13.899) 16.451 1.291 ( -0.000 20.285 12.647) 23.905 1.466 ( -0.000 8.831 1.406) 8.943 1.596 ( -0.000 3.924 5.059) 6.403 1.686 ( -0.000 1.570 -1.167) 1.956 1.701 ( -0.000 2.135 -4.886) 5.332 1.757 ( 0.000 -0.616 -2.813) 2.879 1.844 ( 0.000 -1.374 2.061) 2.477 1.875 ( 0.000 -2.619 -0.973) 2.794 1.983 ( 0.000 -0.428 -0.077) 0.435 2.029 ( -0.000 0.165 -4.197) 4.200 2.286 ( -0.000 0.015 1.963) 1.963 2.320 ( -0.000 3.726 -0.255) 3.734 2.406 ( 0.000 -0.622 0.011) 0.622 2.407 ( 0.000 -0.771 -0.063) 0.774 2.579 ( -0.000 2.858 1.048) 3.045 2.590 ( -0.000 1.113 1.692) 2.025 2.606 ( 0.000 -0.812 -1.442) 1.655 2.630 ( -0.000 0.324 -1.972) 1.998 2.675 ( 0.000 -0.635 2.495) 2.574 2.771 ( -0.000 1.851 -5.016) 5.346 2.837 ( 0.000 -0.402 4.494) 4.512 2.857 ( 0.000 -0.988 1.550) 1.838 2.887 ( 0.000 -1.474 -1.202) 1.902 3.005 ( 0.000 -4.513 -9.317) 10.352 3.081 ( 0.000 -2.031 3.240) 3.824 3.137 ( 0.000 -2.899 -2.091) 3.574 3.600 ( -0.000 1.368 3.195) 3.475 3.639 ( -0.000 2.123 5.050) 5.478 3.692 ( -0.000 0.239 -0.031) 0.241 3.756 ( 0.000 -0.989 -0.726) 1.227 3.795 ( -0.000 2.706 -0.228) 2.716 3.821 ( 0.000 -6.337 -3.748) 7.363 3.979 ( -0.000 1.298 0.063) 1.300 3.981 ( -0.000 1.242 -0.194) 1.257 4.033 ( -0.000 1.065 0.791) 1.327 4.049 ( -0.000 0.898 -0.656) 1.112 4.422 ( 0.000 -3.272 3.249) 4.611 4.485 ( 0.000 -3.084 -1.784) 3.563 4.636 ( 0.000 -2.137 3.878) 4.427 4.728 ( -0.000 2.970 -2.188) 3.689 4.829 ( -0.000 1.929 -3.234) 3.766 4.871 ( -0.000 0.811 -5.283) 5.345 5.177 ( -0.000 0.729 0.626) 0.961 5.188 ( 0.000 -1.621 0.456) 1.684 5.252 ( 0.000 -1.534 0.976) 1.818 5.293 ( 0.000 -0.424 -1.703) 1.755 5.349 ( -0.000 1.443 1.250) 1.909 5.389 ( -0.000 0.509 -2.533) 2.583 5.505 ( -0.000 1.649 7.027) 7.218 5.573 ( -0.000 4.514 1.551) 4.773 5.592 ( 0.000 -0.934 4.621) 4.714 5.698 ( 0.000 -0.142 -3.680) 3.682 5.749 ( 0.000 -0.478 0.387) 0.615 5.759 ( 0.000 -0.407 -0.556) 0.690 5.809 ( -0.000 0.720 0.748) 1.039 5.814 ( 0.000 -1.275 -1.389) 1.885 5.824 ( -0.000 0.824 -0.598) 1.018 5.858 ( -0.000 1.060 -4.142) 4.275 6.163 ( -0.000 0.163 0.443) 0.472 6.173 ( -0.000 0.167 -0.424) 0.456 6.307 ( 0.000 -4.594 8.594) 9.745 6.415 ( 0.000 -5.338 -2.470) 5.882 ======================= Grid point 231 (87/98) ======================= q-point: (-0.69 0.31 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.550 ( -8.138 0.000 2.521) 8.519 1.611 ( -5.930 0.000 -3.068) 6.677 1.700 ( -4.412 0.000 1.776) 4.756 1.708 ( -4.781 0.000 2.529) 5.408 1.791 ( -0.615 0.000 1.111) 1.270 1.857 ( -0.280 0.000 -2.173) 2.191 1.888 ( -3.477 0.000 3.472) 4.914 1.928 ( -2.493 0.000 -0.786) 2.614 2.001 ( -1.473 0.000 2.735) 3.107 2.018 ( -1.810 0.000 -1.483) 2.340 2.090 ( -8.590 0.000 -0.924) 8.640 2.103 ( -8.122 0.000 -3.029) 8.668 2.292 ( 1.630 -0.000 2.969) 3.387 2.340 ( 0.118 -0.000 -0.772) 0.781 2.446 ( 1.234 -0.000 1.686) 2.090 2.475 ( 1.560 -0.000 -1.077) 1.895 2.568 ( 0.430 -0.000 1.357) 1.423 2.574 ( 0.937 -0.000 0.638) 1.133 2.772 ( 2.530 -0.000 1.381) 2.882 2.790 ( 0.118 -0.000 -2.974) 2.977 2.807 ( 1.709 -0.000 -2.309) 2.873 2.855 ( -0.120 0.000 -8.273) 8.274 2.940 ( 3.883 -0.000 -0.016) 3.883 2.991 ( 4.313 -0.000 -4.368) 6.139 3.248 ( -0.021 0.000 0.546) 0.546 3.249 ( -1.200 0.000 0.929) 1.518 3.368 ( -5.579 0.000 1.277) 5.723 3.388 ( -5.699 0.000 -1.178) 5.819 3.522 ( -7.202 0.000 3.315) 7.928 3.526 ( -1.596 0.000 7.320) 7.492 3.565 ( -3.930 0.000 2.621) 4.724 3.605 ( -2.561 0.000 -1.905) 3.192 3.651 ( 1.045 -0.000 -1.024) 1.463 3.672 ( 1.816 -0.000 -1.491) 2.350 3.824 ( -6.876 0.000 2.632) 7.363 3.866 ( -7.269 0.000 -1.349) 7.393 4.343 ( 1.042 -0.000 2.698) 2.892 4.383 ( 0.140 -0.000 -0.776) 0.789 4.481 ( -2.066 0.000 0.003) 2.066 4.515 ( -1.924 0.000 -2.686) 3.304 4.600 ( 0.699 -0.000 1.054) 1.264 4.657 ( 0.311 -0.000 -3.796) 3.809 4.700 ( -1.435 0.000 0.791) 1.639 4.711 ( -1.032 0.000 -0.413) 1.112 4.801 ( -0.270 0.000 1.463) 1.488 4.811 ( 1.460 -0.000 0.245) 1.481 5.048 ( 1.093 -0.000 0.013) 1.093 5.055 ( 0.488 -0.000 -0.632) 0.799 5.138 ( -2.259 0.000 0.004) 2.259 5.142 ( -3.660 0.000 -0.450) 3.687 5.235 ( -1.487 0.000 2.335) 2.769 5.284 ( -2.501 0.000 -2.200) 3.331 5.432 ( -3.244 0.000 0.437) 3.273 5.460 ( -1.936 0.000 -1.952) 2.749 5.532 ( -4.447 0.000 3.188) 5.472 5.556 ( -1.690 0.000 0.819) 1.878 5.604 ( -2.891 0.000 -0.303) 2.907 5.616 ( -6.714 0.000 -1.350) 6.848 5.786 ( 0.077 -0.000 1.302) 1.305 5.817 ( 0.941 -0.000 -1.468) 1.744 6.065 ( 4.895 -0.000 1.710) 5.185 6.099 ( 5.004 -0.000 -1.404) 5.197 6.150 ( 0.186 -0.000 2.072) 2.080 6.211 ( 0.270 -0.000 -3.618) 3.628 6.329 ( -0.050 0.000 1.220) 1.221 6.339 ( -0.670 0.000 0.000) 0.670 ======================= Grid point 233 (88/98) ======================= q-point: (-0.62 0.31 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 254 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.408 ( -6.804 -0.342 2.959) 7.428 1.492 ( -6.842 -0.483 -4.773) 8.356 1.621 ( -4.024 -0.926 2.054) 4.612 1.624 ( -3.823 0.729 3.770) 5.418 1.744 ( -4.519 -0.236 0.387) 4.542 1.753 ( -5.982 -1.579 2.177) 6.559 1.846 ( -9.011 -0.017 -1.490) 9.134 1.888 ( -5.270 0.594 -1.732) 5.579 1.939 ( -0.407 -0.644 0.414) 0.867 1.948 ( -2.083 -1.797 -0.627) 2.822 1.984 ( -2.096 -0.809 1.030) 2.472 2.038 ( -0.101 -0.277 -2.338) 2.356 2.301 ( -0.752 0.073 2.760) 2.861 2.310 ( -2.954 -0.336 1.653) 3.402 2.482 ( 1.721 0.158 0.608) 1.832 2.509 ( 1.504 -0.186 -1.810) 2.361 2.565 ( -0.568 0.835 3.092) 3.252 2.587 ( 0.664 0.223 1.662) 1.804 2.758 ( -4.079 -0.647 -1.124) 4.280 2.771 ( -4.919 -0.226 -5.852) 7.648 2.813 ( 0.413 0.013 -3.513) 3.537 2.845 ( -2.757 0.086 -4.304) 5.112 3.006 ( 1.888 -0.071 1.378) 2.339 3.066 ( 2.510 -0.028 -3.406) 4.231 3.168 ( -7.692 1.859 0.328) 7.921 3.186 ( -7.333 -1.278 -1.539) 7.601 3.243 ( -5.811 0.531 0.624) 5.869 3.257 ( -5.720 -0.557 -0.844) 5.809 3.444 ( 0.676 0.029 4.365) 4.417 3.510 ( -0.252 1.503 3.929) 4.214 3.532 ( -1.131 -2.247 4.799) 5.418 3.549 ( -2.845 -0.798 -2.721) 4.016 3.629 ( -3.857 2.340 0.563) 4.546 3.681 ( -1.848 1.836 -1.591) 3.052 3.704 ( -3.303 0.243 1.204) 3.524 3.710 ( -6.755 -0.226 0.123) 6.760 4.347 ( -0.959 0.066 2.049) 2.263 4.372 ( -1.646 -0.438 -0.197) 1.715 4.439 ( -2.071 0.310 -0.707) 2.210 4.464 ( -2.903 0.100 -2.742) 3.994 4.578 ( -3.009 1.245 1.186) 3.466 4.613 ( -3.825 1.910 -1.554) 4.549 4.652 ( -3.680 -1.615 1.419) 4.262 4.671 ( -3.003 -0.568 -0.051) 3.057 4.815 ( 1.290 0.690 1.516) 2.107 4.851 ( 2.537 0.877 -1.669) 3.161 5.083 ( 1.201 -0.083 0.203) 1.221 5.102 ( 2.775 -0.205 -1.461) 3.143 5.122 ( 2.720 -1.387 0.480) 3.090 5.133 ( 2.580 -1.052 -0.490) 2.829 5.224 ( 0.393 -1.060 0.417) 1.205 5.236 ( -1.844 -0.902 -0.622) 2.145 5.377 ( -2.369 -0.019 1.837) 2.998 5.424 ( -1.881 0.682 -1.558) 2.536 5.437 ( -3.500 -0.649 1.831) 4.003 5.483 ( -4.956 0.074 -1.514) 5.183 5.540 ( -1.444 0.008 2.327) 2.738 5.586 ( -0.027 0.063 -1.999) 2.001 5.790 ( 0.313 -0.121 2.112) 2.138 5.840 ( 1.387 -0.057 -2.434) 2.802 6.125 ( 0.491 -0.095 2.991) 3.032 6.163 ( 1.647 -0.099 1.040) 1.950 6.176 ( 2.771 -0.126 -1.421) 3.116 6.206 ( -1.018 -0.155 -2.971) 3.144 6.316 ( -1.678 0.114 0.797) 1.861 6.326 ( -0.541 -0.609 -0.050) 0.816 ======================= Grid point 234 (89/98) ======================= q-point: (-0.54 0.31 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 254 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.283 ( -5.616 4.156 1.304) 7.108 1.357 ( -7.076 0.152 -5.589) 9.018 1.507 ( -5.916 6.857 5.736) 10.720 1.556 ( -4.672 1.976 0.478) 5.095 1.637 ( -9.055 -2.646 2.159) 9.678 1.666 ( -5.156 -6.068 3.466) 8.684 1.721 ( -2.575 -6.215 -1.901) 6.991 1.738 ( -6.444 1.037 -3.363) 7.342 1.914 ( -2.257 -0.652 2.140) 3.178 1.946 ( -0.419 0.498 -0.417) 0.773 1.998 ( 0.502 -2.969 -0.916) 3.148 2.041 ( -0.708 -0.898 -3.223) 3.420 2.247 ( -2.798 -0.765 3.423) 4.487 2.268 ( -2.430 -0.073 1.942) 3.112 2.435 ( -8.562 1.451 2.126) 8.941 2.483 ( -7.568 0.838 -2.084) 7.894 2.552 ( 0.774 1.771 1.519) 2.458 2.585 ( -1.250 1.526 1.342) 2.386 2.649 ( -4.087 -2.660 -0.038) 4.877 2.670 ( -4.259 -2.552 0.704) 5.015 2.763 ( -4.731 0.656 -5.622) 7.377 2.786 ( -2.962 0.443 -6.098) 6.794 2.952 ( -6.344 1.605 -0.845) 6.598 2.977 ( -8.691 1.114 -1.667) 8.919 3.064 ( -3.367 0.367 0.996) 3.530 3.089 ( -3.668 -1.671 -1.935) 4.471 3.151 ( -3.285 0.646 3.400) 4.772 3.187 ( -2.993 -1.373 -0.240) 3.301 3.373 ( -11.961 2.812 0.436) 12.295 3.393 ( -10.695 3.146 -1.241) 11.217 3.533 ( 4.228 0.543 0.495) 4.291 3.542 ( 2.456 0.191 2.196) 3.300 3.589 ( 0.879 0.715 1.449) 1.840 3.639 ( -2.399 -0.471 -1.315) 2.776 3.659 ( 1.067 -1.384 3.061) 3.525 3.707 ( 2.351 -0.064 -1.255) 2.666 4.299 ( -3.954 0.383 1.624) 4.291 4.320 ( -4.101 -0.236 -0.068) 4.109 4.388 ( -3.467 1.494 -0.847) 3.869 4.396 ( -4.422 1.871 -0.952) 4.895 4.498 ( -4.170 -1.093 0.887) 4.401 4.531 ( -3.539 -0.672 -1.428) 3.875 4.587 ( -3.433 -1.633 1.862) 4.233 4.619 ( -1.969 -0.808 -0.663) 2.229 4.829 ( 0.783 0.949 2.496) 2.783 4.884 ( 1.617 1.464 -2.412) 3.252 5.116 ( 1.707 0.928 0.220) 1.955 5.136 ( 1.648 -0.547 -1.745) 2.462 5.204 ( 3.422 -0.973 0.806) 3.648 5.205 ( 2.102 -1.258 0.855) 2.595 5.258 ( 3.199 -1.022 -0.871) 3.470 5.266 ( 2.364 -1.846 -1.542) 3.373 5.354 ( 1.337 0.355 2.962) 3.269 5.401 ( 0.056 0.035 -1.021) 1.023 5.425 ( 2.975 0.324 0.906) 3.127 5.437 ( 0.410 -0.121 -0.232) 0.487 5.531 ( 0.628 -0.134 2.264) 2.354 5.595 ( 1.104 0.155 -3.398) 3.576 5.798 ( 0.319 -0.341 2.856) 2.894 5.866 ( 1.055 -0.094 -3.565) 3.719 6.102 ( -2.571 -0.241 3.259) 4.158 6.162 ( -3.108 0.037 -2.318) 3.877 6.191 ( 0.426 -0.330 0.554) 0.772 6.212 ( 0.627 -0.242 -1.113) 1.300 6.278 ( -2.103 -0.601 2.291) 3.168 6.320 ( -0.529 -1.166 -1.598) 2.047 ======================= Grid point 235 (90/98) ======================= q-point: (-0.46 0.31 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 254 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.138 ( -5.636 9.133 1.589) 10.849 1.218 ( -6.504 4.729 -4.601) 9.265 1.338 ( -7.101 9.051 3.679) 12.078 1.396 ( -9.843 2.753 -2.144) 10.443 1.494 ( -6.630 -4.125 3.257) 8.460 1.580 ( -3.826 0.325 -1.729) 4.211 1.709 ( 0.977 -2.483 2.232) 3.479 1.754 ( 0.718 -6.015 0.288) 6.065 1.858 ( -3.822 -0.430 2.441) 4.555 1.919 ( -2.761 0.516 -3.474) 4.467 1.989 ( -4.292 -0.472 -0.391) 4.335 2.006 ( -1.307 -1.748 -1.160) 2.472 2.199 ( -11.885 0.774 0.902) 11.944 2.206 ( -11.814 -0.367 0.255) 11.822 2.248 ( -4.674 1.227 1.980) 5.222 2.253 ( 2.509 0.281 1.552) 2.963 2.523 ( -2.701 3.154 0.667) 4.206 2.564 ( -1.493 2.433 -1.693) 3.319 2.613 ( -2.995 -1.062 1.576) 3.547 2.642 ( -0.761 -2.625 2.472) 3.685 2.670 ( -3.485 0.863 -1.548) 3.910 2.728 ( -2.254 -0.283 -3.481) 4.157 2.832 ( -4.980 1.401 -1.607) 5.418 2.850 ( -3.919 1.113 -5.219) 6.621 2.966 ( -6.597 0.236 2.551) 7.077 3.013 ( -4.874 -2.113 -2.081) 5.705 3.069 ( -7.494 3.234 2.564) 8.555 3.093 ( -9.697 -0.560 0.282) 9.717 3.141 ( -6.642 -0.196 1.847) 6.897 3.193 ( -5.250 3.219 -2.971) 6.838 3.554 ( -2.130 -2.010 0.528) 2.976 3.587 ( 2.268 0.668 1.903) 3.035 3.611 ( 1.238 -2.998 -1.980) 3.800 3.662 ( 3.503 -0.029 -3.179) 4.730 3.693 ( 2.072 -0.544 5.118) 5.549 3.774 ( 3.959 1.349 -1.584) 4.472 4.196 ( -6.178 1.086 1.698) 6.498 4.219 ( -5.915 1.105 -0.162) 6.020 4.258 ( -7.785 2.239 0.902) 8.151 4.283 ( -7.303 -0.312 -1.457) 7.453 4.439 ( -3.350 -2.453 1.709) 4.490 4.484 ( -2.438 -1.730 -1.510) 3.349 4.563 ( -0.142 -2.185 3.333) 3.988 4.641 ( 3.539 -1.135 -3.778) 5.299 4.839 ( 0.899 1.518 2.779) 3.292 4.899 ( 0.981 2.063 -2.653) 3.501 5.138 ( 1.486 0.233 1.481) 2.111 5.166 ( 0.103 0.164 -0.426) 0.468 5.209 ( 0.386 -2.056 0.109) 2.094 5.250 ( 0.055 -1.600 -2.341) 2.836 5.312 ( 2.586 0.087 0.273) 2.602 5.337 ( 3.525 -0.066 -1.584) 3.865 5.402 ( 3.277 1.967 4.207) 5.684 5.452 ( 4.196 -0.818 0.564) 4.312 5.493 ( 5.744 0.741 3.336) 6.684 5.539 ( 7.535 1.088 -1.039) 7.684 5.571 ( 3.656 0.080 0.046) 3.657 5.629 ( 2.600 0.328 -4.366) 5.092 5.802 ( -0.286 -0.387 2.772) 2.813 5.869 ( -1.075 -0.254 -3.919) 4.072 6.033 ( -4.670 -0.232 2.693) 5.396 6.085 ( -4.773 -0.249 -2.362) 5.331 6.188 ( -0.632 -0.099 0.855) 1.068 6.210 ( -0.839 -0.228 -1.044) 1.358 6.253 ( -0.945 -1.556 3.956) 4.355 6.321 ( -0.198 -2.114 -2.365) 3.178 ======================= Grid point 236 (91/98) ======================= q-point: (-0.38 0.31 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 254 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.985 ( -3.745 12.239 4.298) 13.502 1.044 ( -7.761 7.506 3.095) 11.232 1.152 ( -6.769 9.246 -4.466) 12.299 1.197 ( -7.172 3.914 -5.918) 10.088 1.448 ( 0.115 -0.039 4.947) 4.948 1.548 ( 1.073 2.404 -1.736) 3.153 1.732 ( 1.014 3.400 3.522) 4.999 1.764 ( -5.553 -1.129 1.062) 5.765 1.775 ( -1.723 2.239 0.629) 2.894 1.836 ( -4.330 3.211 -2.368) 5.888 1.889 ( -6.335 -0.245 1.461) 6.506 1.921 ( -8.501 -0.812 -1.430) 8.658 2.004 ( -2.991 0.502 0.855) 3.150 2.058 ( -1.968 0.715 -3.340) 3.942 2.251 ( 1.966 0.017 4.340) 4.765 2.323 ( 4.797 2.915 -1.447) 5.797 2.444 ( -3.478 1.539 1.028) 3.940 2.468 ( -5.365 2.165 -0.901) 5.855 2.566 ( -1.407 -0.798 1.971) 2.550 2.634 ( -0.832 0.700 -2.785) 2.990 2.648 ( -0.040 -1.194 3.256) 3.468 2.694 ( -2.990 -0.315 -1.706) 3.457 2.728 ( -5.894 1.623 -1.082) 6.208 2.798 ( -1.295 0.260 -4.312) 4.509 2.833 ( -4.361 1.027 3.203) 5.508 2.891 ( -5.275 0.723 -0.079) 5.324 2.930 ( -5.339 -0.737 -1.214) 5.525 2.966 ( -4.390 -3.941 -4.026) 7.142 3.071 ( -1.778 -1.223 3.865) 4.427 3.137 ( -1.274 0.835 -2.810) 3.196 3.544 ( -0.698 -5.174 2.780) 5.915 3.625 ( 2.192 0.099 1.366) 2.585 3.657 ( 1.138 -4.428 -2.876) 5.401 3.714 ( 2.087 0.567 -1.997) 2.944 3.742 ( 2.472 0.610 3.700) 4.491 3.828 ( 2.718 2.673 -2.143) 4.373 4.070 ( -5.632 1.454 1.131) 5.925 4.084 ( -7.070 1.880 0.001) 7.316 4.114 ( -5.427 0.687 0.666) 5.511 4.136 ( -7.639 -0.952 -1.382) 7.822 4.399 ( -1.893 -2.039 2.821) 3.962 4.458 ( -1.263 -1.818 -1.810) 2.859 4.589 ( 0.975 -2.285 5.414) 5.956 4.724 ( 3.560 -0.151 -6.601) 7.501 4.846 ( 0.783 1.740 1.242) 2.277 4.900 ( 0.431 2.664 -2.871) 3.940 5.158 ( -0.486 -1.295 2.044) 2.468 5.168 ( 1.368 -0.041 1.571) 2.084 5.230 ( 0.233 -1.104 -1.417) 1.811 5.265 ( 0.734 -1.940 -3.494) 4.064 5.352 ( 1.647 0.777 1.252) 2.210 5.383 ( 1.608 0.405 -1.720) 2.389 5.463 ( 4.240 1.347 7.893) 9.061 5.542 ( 3.942 -0.510 1.535) 4.260 5.593 ( 4.670 2.735 3.011) 6.193 5.653 ( 5.660 0.419 0.047) 5.675 5.668 ( 4.059 0.602 -4.234) 5.897 5.698 ( 6.368 1.902 -2.606) 7.138 5.786 ( -1.573 -0.342 1.345) 2.098 5.827 ( -3.235 -0.895 -2.966) 4.480 5.931 ( -6.025 -0.293 1.938) 6.336 5.984 ( -6.015 -0.088 -3.135) 6.784 6.175 ( -0.752 0.040 0.607) 0.967 6.189 ( -1.201 -0.039 -0.661) 1.372 6.257 ( 0.197 -1.819 5.274) 5.582 6.337 ( 0.341 -3.218 -2.353) 4.001 ======================= Grid point 237 (92/98) ======================= q-point: (-0.31 0.31 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.880 ( -0.000 10.823 6.381) 12.564 0.900 ( -0.000 13.342 7.831) 15.470 1.024 ( -0.000 7.337 -6.717) 9.947 1.100 ( -0.000 7.657 -10.688) 13.148 1.447 ( -0.000 6.847 6.771) 9.629 1.569 ( -0.000 6.681 -0.968) 6.751 1.641 ( -0.000 4.249 4.005) 5.839 1.714 ( -0.000 5.182 2.130) 5.602 1.726 ( -0.000 2.412 -3.982) 4.656 1.764 ( -0.000 3.994 1.089) 4.140 1.829 ( 0.000 -1.449 1.279) 1.932 1.846 ( 0.000 -2.486 -0.452) 2.527 1.985 ( -0.000 0.755 -0.633) 0.985 2.039 ( -0.000 1.403 -4.332) 4.553 2.285 ( 0.000 -0.182 4.328) 4.331 2.372 ( -0.000 5.611 -1.766) 5.882 2.397 ( 0.000 -0.937 0.004) 0.937 2.398 ( 0.000 -0.937 -0.038) 0.938 2.586 ( 0.000 -0.950 -0.186) 0.968 2.600 ( -0.000 0.564 1.453) 1.559 2.619 ( -0.000 2.276 -2.552) 3.419 2.633 ( -0.000 0.187 -1.603) 1.614 2.673 ( -0.000 0.554 4.504) 4.538 2.787 ( -0.000 0.747 -4.541) 4.602 2.823 ( 0.000 -1.928 2.185) 2.914 2.848 ( 0.000 -0.644 1.190) 1.353 2.872 ( 0.000 -1.306 -0.977) 1.631 2.948 ( 0.000 -5.037 -6.511) 8.232 3.064 ( 0.000 -1.461 3.247) 3.560 3.123 ( -0.000 0.110 -2.764) 2.766 3.574 ( 0.000 -5.773 4.011) 7.029 3.653 ( -0.000 0.627 3.907) 3.957 3.692 ( 0.000 -2.198 -2.679) 3.465 3.741 ( 0.000 -2.440 -3.330) 4.129 3.764 ( 0.000 -0.116 2.659) 2.662 3.840 ( -0.000 3.923 -2.353) 4.574 3.993 ( -0.000 1.208 0.052) 1.209 3.995 ( -0.000 1.174 -0.153) 1.184 4.044 ( -0.000 1.017 0.692) 1.230 4.058 ( -0.000 0.863 -0.588) 1.044 4.392 ( 0.000 -2.226 3.263) 3.950 4.457 ( 0.000 -2.162 -1.947) 2.910 4.611 ( 0.000 -2.261 5.671) 6.106 4.753 ( -0.000 1.597 -5.494) 5.722 4.847 ( -0.000 1.411 -1.865) 2.338 4.889 ( -0.000 2.484 -3.274) 4.110 5.165 ( 0.000 -2.052 1.977) 2.850 5.182 ( -0.000 0.008 0.959) 0.959 5.238 ( 0.000 -1.136 -0.556) 1.265 5.283 ( 0.000 -1.404 -3.058) 3.364 5.363 ( -0.000 1.104 1.154) 1.598 5.396 ( -0.000 0.665 -2.025) 2.132 5.516 ( -0.000 0.608 9.283) 9.303 5.585 ( 0.000 -0.434 3.156) 3.185 5.623 ( -0.000 4.225 1.506) 4.486 5.700 ( -0.000 0.469 -3.700) 3.730 5.744 ( 0.000 -0.380 0.421) 0.567 5.755 ( 0.000 -0.318 -0.583) 0.664 5.796 ( 0.000 -1.821 -0.763) 1.974 5.817 ( -0.000 0.611 0.788) 0.997 5.832 ( -0.000 0.695 -0.647) 0.950 5.873 ( -0.000 1.556 -5.531) 5.745 6.165 ( -0.000 0.154 0.445) 0.471 6.175 ( -0.000 0.156 -0.425) 0.453 6.271 ( 0.000 -2.154 6.464) 6.813 6.363 ( 0.000 -4.162 -2.357) 4.783 ======================= Grid point 246 (93/98) ======================= q-point: (-0.62 0.38 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.313 ( -3.312 0.000 -0.418) 3.338 1.354 ( -7.119 0.000 -3.919) 8.126 1.549 ( -4.775 0.000 1.854) 5.123 1.591 ( -0.027 0.000 5.099) 5.099 1.605 ( -8.625 0.000 7.306) 11.303 1.632 ( -7.872 0.000 -2.720) 8.329 1.670 ( -5.401 0.000 1.150) 5.522 1.747 ( -7.341 0.000 -5.765) 9.334 1.912 ( -1.898 0.000 1.976) 2.740 1.965 ( 0.433 -0.000 -4.186) 4.208 1.966 ( 0.303 -0.000 2.669) 2.686 2.036 ( -0.756 0.000 -3.420) 3.503 2.243 ( -2.829 0.000 3.851) 4.778 2.268 ( -2.476 0.000 1.906) 3.125 2.444 ( -8.440 0.000 1.621) 8.595 2.488 ( -7.343 0.000 -2.392) 7.723 2.565 ( 0.891 -0.000 2.078) 2.260 2.595 ( -0.330 0.000 2.239) 2.263 2.632 ( -5.022 0.000 -0.401) 5.038 2.652 ( -4.432 0.000 0.503) 4.460 2.766 ( -4.607 0.000 -6.261) 7.773 2.789 ( -2.930 0.000 -5.884) 6.573 2.961 ( -5.918 0.000 -1.260) 6.050 2.983 ( -9.050 0.000 -1.681) 9.205 3.068 ( -3.564 0.000 0.463) 3.594 3.078 ( -3.703 0.000 -0.841) 3.797 3.155 ( -3.514 0.000 3.063) 4.661 3.178 ( -2.829 0.000 0.244) 2.839 3.390 ( -11.084 0.000 0.482) 11.094 3.411 ( -10.292 0.000 -1.403) 10.387 3.537 ( 4.690 -0.000 0.253) 4.697 3.541 ( 2.279 -0.000 2.067) 3.077 3.600 ( -1.709 0.000 1.844) 2.514 3.629 ( -0.803 0.000 0.270) 0.847 3.653 ( -0.256 0.000 2.294) 2.308 3.706 ( 2.832 -0.000 -2.090) 3.519 4.301 ( -3.949 0.000 1.400) 4.190 4.317 ( -3.925 0.000 -0.076) 3.926 4.400 ( -3.002 0.000 -0.779) 3.102 4.403 ( -3.962 0.000 -1.160) 4.128 4.493 ( -5.244 0.000 1.067) 5.351 4.529 ( -4.539 0.000 -2.147) 5.021 4.576 ( -3.273 0.000 2.921) 4.387 4.615 ( -1.934 0.000 -0.746) 2.073 4.834 ( 0.744 -0.000 2.646) 2.748 4.893 ( 1.560 -0.000 -2.514) 2.959 5.126 ( 2.972 -0.000 -0.553) 3.023 5.129 ( 0.416 -0.000 -0.854) 0.950 5.198 ( 1.495 -0.000 0.766) 1.680 5.198 ( 4.158 -0.000 0.818) 4.238 5.252 ( 3.890 -0.000 -1.152) 4.057 5.255 ( 2.785 -0.000 -1.426) 3.129 5.356 ( 1.644 -0.000 2.900) 3.333 5.401 ( -0.149 0.000 -0.958) 0.969 5.427 ( 3.313 -0.000 0.798) 3.408 5.436 ( 0.202 -0.000 -0.110) 0.230 5.530 ( 0.616 -0.000 2.353) 2.432 5.596 ( 1.121 -0.000 -3.491) 3.667 5.796 ( 0.314 -0.000 2.889) 2.906 5.865 ( 1.049 -0.000 -3.689) 3.835 6.100 ( -2.552 0.000 3.410) 4.259 6.162 ( -3.281 0.000 -2.377) 4.051 6.190 ( 0.596 -0.000 0.707) 0.924 6.210 ( 0.659 -0.000 -1.103) 1.285 6.275 ( -2.279 0.000 2.017) 3.044 6.313 ( -0.597 0.000 -1.502) 1.616 ======================= Grid point 248 (94/98) ======================= q-point: (-0.54 0.38 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 254 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.219 ( -5.119 4.518 -0.479) 6.845 1.261 ( -3.134 2.993 -4.530) 6.269 1.381 ( -10.973 -1.123 1.535) 11.136 1.440 ( -9.126 4.286 0.272) 10.086 1.462 ( -6.316 -0.976 4.474) 7.801 1.593 ( -2.092 1.796 -1.015) 2.938 1.677 ( 1.950 -2.521 1.133) 3.383 1.688 ( 3.197 -4.739 1.209) 5.843 1.863 ( -2.877 0.607 2.710) 3.999 1.931 ( -3.769 1.182 -3.721) 5.427 1.980 ( -0.949 -1.146 -0.543) 1.584 1.991 ( -2.513 -0.691 -1.741) 3.134 2.201 ( -10.194 -0.189 0.782) 10.226 2.205 ( -11.736 0.137 0.099) 11.737 2.253 ( 2.244 -0.008 2.248) 3.177 2.257 ( -6.243 0.377 1.975) 6.559 2.557 ( -2.622 2.888 0.981) 4.022 2.586 ( -0.184 0.676 -0.599) 0.922 2.596 ( -2.643 -0.853 1.927) 3.380 2.614 ( -0.267 -2.283 2.443) 3.354 2.678 ( -4.301 0.469 -4.836) 6.489 2.727 ( -2.600 -0.013 -2.640) 3.705 2.843 ( -5.220 0.530 -1.215) 5.386 2.860 ( -4.287 0.573 -5.184) 6.751 2.969 ( -5.990 0.268 1.225) 6.120 2.993 ( -5.150 -1.158 -1.402) 5.462 3.080 ( -5.964 -0.194 2.332) 6.407 3.099 ( -8.014 0.673 -0.397) 8.052 3.151 ( -9.872 1.321 4.180) 10.802 3.219 ( -6.817 1.297 -1.589) 7.119 3.536 ( -3.725 -0.834 -0.744) 3.889 3.574 ( -1.093 -2.183 -4.385) 5.019 3.596 ( 2.942 0.215 3.127) 4.299 3.665 ( 4.428 0.267 -3.287) 5.521 3.691 ( 2.780 -0.021 6.125) 6.726 3.784 ( 4.297 0.467 -1.997) 4.762 4.202 ( -6.040 0.220 1.379) 6.199 4.224 ( -5.682 0.013 -0.404) 5.696 4.279 ( -8.382 1.199 0.308) 8.473 4.286 ( -8.166 0.432 -0.383) 8.187 4.419 ( -2.860 -1.006 1.863) 3.558 4.470 ( -2.300 -0.751 -2.163) 3.245 4.545 ( -0.047 -0.907 4.325) 4.420 4.632 ( 3.599 -0.466 -3.827) 5.274 4.850 ( 1.020 0.547 3.226) 3.428 4.915 ( 1.072 0.765 -2.593) 2.908 5.141 ( 1.176 0.197 1.398) 1.837 5.173 ( -0.279 0.949 0.194) 1.008 5.188 ( 0.915 -1.692 -0.607) 2.017 5.236 ( -0.156 -0.713 -2.872) 2.964 5.313 ( 3.116 0.047 0.214) 3.123 5.336 ( 3.710 -0.006 -1.382) 3.959 5.423 ( 3.534 1.793 3.152) 5.063 5.441 ( 3.992 -1.353 1.890) 4.619 5.498 ( 6.314 0.251 3.545) 7.245 5.548 ( 8.009 0.459 -1.305) 8.128 5.571 ( 3.643 -0.076 0.173) 3.648 5.632 ( 2.800 0.182 -4.746) 5.514 5.800 ( -0.151 -0.106 2.750) 2.756 5.867 ( -1.280 -0.147 -4.048) 4.248 6.031 ( -4.642 -0.096 2.867) 5.457 6.083 ( -4.813 -0.117 -2.158) 5.276 6.187 ( -0.562 -0.035 0.812) 0.989 6.208 ( -0.770 -0.071 -0.998) 1.263 6.243 ( -0.976 -0.473 3.525) 3.688 6.305 ( -0.364 -0.741 -2.267) 2.413 ======================= Grid point 249 (95/98) ======================= q-point: (-0.46 0.38 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 254 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.105 ( -3.138 9.115 2.741) 10.022 1.109 ( -8.203 4.531 2.315) 9.652 1.214 ( -8.405 1.065 -2.785) 8.918 1.255 ( -3.962 7.245 -5.120) 9.716 1.421 ( -0.391 -4.281 4.951) 6.557 1.557 ( -0.128 -0.387 -4.447) 4.465 1.749 ( 2.421 1.221 2.742) 3.856 1.759 ( -0.745 0.333 1.665) 1.854 1.812 ( -0.762 3.037 1.155) 3.337 1.846 ( -2.622 -1.118 -0.407) 2.879 1.888 ( -6.922 -0.209 0.620) 6.953 1.930 ( -6.464 2.033 -2.343) 7.170 2.009 ( -2.313 0.328 0.687) 2.435 2.062 ( -1.822 0.066 -3.068) 3.568 2.251 ( 1.808 -0.081 6.414) 6.664 2.345 ( 5.728 1.218 -1.863) 6.145 2.466 ( -3.978 2.235 2.006) 4.985 2.498 ( -7.582 2.774 0.047) 8.074 2.558 ( -1.044 -0.198 0.221) 1.086 2.620 ( -0.613 -2.461 -2.102) 3.294 2.639 ( -0.040 -0.637 1.665) 1.783 2.691 ( -2.515 -0.249 -1.258) 2.823 2.753 ( -4.653 2.382 -1.721) 5.503 2.790 ( -2.705 -1.303 -1.252) 3.253 2.850 ( -4.985 1.710 0.453) 5.290 2.900 ( -6.291 0.925 -0.451) 6.374 2.920 ( -4.614 -1.210 -2.111) 5.216 2.936 ( -6.253 -1.374 -2.508) 6.876 3.063 ( -1.827 -0.322 5.960) 6.242 3.148 ( -1.560 0.917 -2.053) 2.737 3.491 ( -1.848 -3.547 0.664) 4.054 3.580 ( -0.396 -5.860 -6.872) 9.040 3.642 ( 1.985 0.497 4.050) 4.538 3.732 ( 2.751 1.819 -0.045) 3.298 3.749 ( 3.151 0.393 2.498) 4.040 3.849 ( 3.032 1.288 -2.682) 4.248 4.082 ( -5.876 0.721 1.215) 6.043 4.102 ( -7.551 1.277 -0.280) 7.663 4.120 ( -5.403 0.510 0.218) 5.432 4.129 ( -6.870 -0.255 -0.560) 6.898 4.382 ( -1.547 -1.059 2.842) 3.405 4.441 ( -1.192 -1.111 -2.069) 2.634 4.568 ( 1.220 -1.330 6.583) 6.826 4.720 ( 4.170 -0.415 -7.320) 8.435 4.863 ( 0.711 1.231 2.674) 3.029 4.924 ( 0.545 1.691 -2.591) 3.141 5.147 ( -0.898 -0.638 2.602) 2.826 5.168 ( 1.189 0.053 1.889) 2.233 5.220 ( 0.373 -0.729 -2.579) 2.706 5.244 ( 0.803 -1.705 -4.366) 4.755 5.359 ( 1.698 0.377 1.255) 2.145 5.387 ( 1.747 0.207 -1.312) 2.195 5.477 ( 3.557 0.985 7.494) 8.354 5.537 ( 4.231 -0.393 1.976) 4.686 5.616 ( 5.099 1.414 2.225) 5.740 5.656 ( 5.461 0.202 0.906) 5.540 5.673 ( 4.032 0.307 -4.477) 6.033 5.716 ( 6.788 1.235 -2.808) 7.449 5.784 ( -1.610 0.059 0.877) 1.834 5.816 ( -3.828 -0.995 -2.556) 4.709 5.929 ( -5.849 -0.017 2.017) 6.187 5.984 ( -5.585 0.009 -3.065) 6.371 6.175 ( -0.692 0.020 0.578) 0.902 6.189 ( -1.078 -0.002 -0.636) 1.252 6.244 ( 0.525 -0.729 4.224) 4.319 6.310 ( 0.213 -1.669 -2.018) 2.628 ======================= Grid point 250 (96/98) ======================= q-point: (-0.38 0.38 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.978 ( -0.000 6.927 5.017) 8.553 1.034 ( -0.000 10.816 5.654) 12.204 1.092 ( -0.000 4.879 -5.297) 7.201 1.183 ( -0.000 7.623 -7.098) 10.416 1.453 ( 0.000 -4.203 3.995) 5.799 1.580 ( 0.000 -2.461 -5.108) 5.670 1.687 ( -0.000 4.020 3.090) 5.071 1.753 ( -0.000 2.353 -3.003) 3.815 1.777 ( -0.000 5.848 5.602) 8.098 1.810 ( 0.000 -2.104 0.765) 2.239 1.823 ( 0.000 -1.768 -0.304) 1.794 1.872 ( -0.000 11.875 0.353) 11.880 1.995 ( -0.000 0.977 -0.820) 1.275 2.053 ( -0.000 0.899 -3.762) 3.867 2.286 ( -0.000 0.453 8.218) 8.230 2.387 ( 0.000 -0.882 -0.005) 0.882 2.388 ( 0.000 -0.808 -0.065) 0.811 2.437 ( -0.000 6.047 -2.577) 6.573 2.574 ( 0.000 -1.147 0.627) 1.308 2.603 ( -0.000 0.054 1.450) 1.451 2.627 ( 0.000 -0.960 -4.363) 4.467 2.634 ( -0.000 0.040 -1.421) 1.422 2.693 ( -0.000 2.787 3.763) 4.682 2.776 ( 0.000 -2.607 0.820) 2.733 2.809 ( 0.000 -0.291 -2.627) 2.643 2.844 ( 0.000 -0.143 0.754) 0.767 2.859 ( 0.000 -0.953 -0.669) 1.164 2.905 ( 0.000 -2.675 -6.268) 6.815 3.052 ( 0.000 -0.780 5.102) 5.162 3.130 ( -0.000 0.865 -2.577) 2.718 3.502 ( 0.000 -6.082 2.369) 6.527 3.618 ( 0.000 -7.872 -7.328) 10.755 3.662 ( -0.000 0.165 4.365) 4.368 3.750 ( -0.000 2.428 1.170) 2.696 3.780 ( -0.000 1.498 1.239) 1.944 3.876 ( -0.000 2.664 -2.501) 3.654 4.004 ( -0.000 0.838 0.053) 0.840 4.006 ( -0.000 0.843 -0.135) 0.853 4.054 ( -0.000 0.729 0.616) 0.954 4.067 ( -0.000 0.625 -0.532) 0.820 4.373 ( 0.000 -1.255 3.199) 3.437 4.437 ( 0.000 -1.439 -2.142) 2.580 4.590 ( 0.000 -1.612 7.230) 7.407 4.763 ( -0.000 0.303 -8.056) 8.062 4.863 ( -0.000 1.462 1.143) 1.855 4.918 ( -0.000 2.417 -2.736) 3.651 5.145 ( 0.000 -1.413 2.826) 3.159 5.181 ( 0.000 -0.151 1.440) 1.448 5.226 ( 0.000 -0.967 -2.245) 2.444 5.264 ( 0.000 -1.843 -3.952) 4.361 5.372 ( -0.000 0.590 1.301) 1.428 5.402 ( -0.000 0.420 -1.505) 1.563 5.522 ( -0.000 0.483 9.679) 9.691 5.582 ( 0.000 -0.147 3.065) 3.068 5.659 ( -0.000 2.221 -0.366) 2.251 5.709 ( -0.000 1.386 -3.430) 3.699 5.741 ( 0.000 -0.244 0.448) 0.510 5.752 ( 0.000 -0.201 -0.606) 0.639 5.776 ( 0.000 -1.708 0.689) 1.842 5.822 ( -0.000 0.407 0.819) 0.915 5.839 ( -0.000 0.462 -0.683) 0.825 5.889 ( -0.000 1.252 -6.215) 6.340 6.166 ( -0.000 0.109 0.447) 0.460 6.176 ( -0.000 0.110 -0.425) 0.439 6.256 ( 0.000 -0.855 4.736) 4.812 6.326 ( 0.000 -2.562 -1.842) 3.155 ======================= Grid point 261 (97/98) ======================= q-point: (-0.54 0.46 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.133 ( -7.184 0.000 2.262) 7.531 1.171 ( -5.779 0.000 4.291) 7.198 1.207 ( -5.933 0.000 -4.249) 7.298 1.310 ( -2.821 0.000 -9.080) 9.508 1.381 ( -2.482 0.000 9.234) 9.561 1.552 ( -1.327 0.000 -5.500) 5.657 1.757 ( 4.463 -0.000 3.145) 5.460 1.765 ( 1.001 -0.000 1.315) 1.652 1.830 ( 0.142 -0.000 1.109) 1.118 1.834 ( -4.485 0.000 0.487) 4.511 1.887 ( -7.294 0.000 0.155) 7.296 1.944 ( -3.939 0.000 -2.731) 4.793 2.011 ( -1.993 0.000 0.457) 2.045 2.062 ( -1.972 0.000 -2.973) 3.568 2.250 ( 1.823 -0.000 7.202) 7.430 2.351 ( 5.939 -0.000 -1.966) 6.256 2.482 ( -4.217 0.000 2.970) 5.158 2.512 ( -7.386 0.000 1.827) 7.609 2.567 ( -2.019 0.000 -2.537) 3.242 2.596 ( -0.123 0.000 -2.639) 2.642 2.635 ( 0.014 -0.000 1.415) 1.415 2.689 ( -2.512 0.000 -1.044) 2.720 2.774 ( -2.651 0.000 0.055) 2.652 2.775 ( -4.750 0.000 -2.492) 5.364 2.861 ( -5.243 0.000 0.309) 5.252 2.907 ( -3.069 0.000 -4.043) 5.076 2.910 ( -7.252 0.000 0.670) 7.283 2.930 ( -7.573 0.000 -1.553) 7.731 3.061 ( -1.910 0.000 7.051) 7.306 3.153 ( -1.704 0.000 -1.393) 2.201 3.473 ( -2.163 0.000 -0.919) 2.350 3.542 ( -0.979 0.000 -7.204) 7.270 3.645 ( 1.893 -0.000 4.342) 4.737 3.747 ( 2.829 -0.000 7.100) 7.643 3.747 ( 3.527 -0.000 -4.717) 5.890 3.856 ( 3.129 -0.000 -2.868) 4.244 4.086 ( -5.851 0.000 1.225) 5.978 4.109 ( -7.444 0.000 -0.548) 7.464 4.124 ( -5.467 0.000 0.104) 5.468 4.128 ( -6.977 0.000 -0.206) 6.980 4.377 ( -1.389 0.000 2.839) 3.161 4.435 ( -1.138 0.000 -2.141) 2.424 4.561 ( 1.331 -0.000 7.016) 7.141 4.717 ( 4.349 -0.000 -7.434) 8.613 4.870 ( 0.747 -0.000 3.143) 3.230 4.934 ( 0.614 -0.000 -2.436) 2.512 5.144 ( -1.057 0.000 2.690) 2.890 5.168 ( 1.098 -0.000 2.163) 2.426 5.216 ( 0.429 -0.000 -3.027) 3.058 5.233 ( 0.816 -0.000 -4.781) 4.850 5.361 ( 1.692 -0.000 1.243) 2.100 5.388 ( 1.773 -0.000 -1.185) 2.133 5.483 ( 3.223 -0.000 7.404) 8.075 5.535 ( 4.455 -0.000 2.024) 4.893 5.624 ( 5.092 -0.000 1.805) 5.402 5.657 ( 5.616 -0.000 1.471) 5.806 5.675 ( 4.042 -0.000 -4.602) 6.126 5.723 ( 6.902 -0.000 -2.879) 7.478 5.785 ( -1.457 0.000 0.479) 1.534 5.809 ( -4.291 0.000 -2.132) 4.791 5.930 ( -5.763 0.000 1.987) 6.096 5.984 ( -5.408 0.000 -3.046) 6.207 6.175 ( -0.670 0.000 0.574) 0.882 6.189 ( -1.040 0.000 -0.630) 1.216 6.240 ( 0.648 -0.000 3.838) 3.893 6.301 ( 0.183 -0.000 -1.867) 1.876 ======================= Grid point 263 (98/98) ======================= q-point: (-0.46 0.46 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.029 ( -0.000 2.366 4.371) 4.970 1.122 ( -0.000 4.437 4.655) 6.430 1.128 ( -0.000 1.699 -4.590) 4.895 1.267 ( -0.000 7.350 -6.962) 10.124 1.385 ( 0.000 -6.943 5.730) 9.002 1.551 ( 0.000 -1.880 -6.446) 6.714 1.725 ( -0.000 2.565 2.487) 3.573 1.774 ( -0.000 0.996 -1.472) 1.777 1.788 ( 0.000 -1.230 0.239) 1.253 1.806 ( 0.000 -1.288 -0.851) 1.544 1.830 ( -0.000 3.037 6.444) 7.124 1.966 ( -0.000 4.566 -1.854) 4.928 2.004 ( -0.000 0.541 -2.064) 2.133 2.056 ( 0.000 -0.218 -3.299) 3.306 2.294 ( -0.000 0.695 11.665) 11.686 2.380 ( 0.000 -0.374 0.020) 0.375 2.381 ( 0.000 -0.318 -0.138) 0.346 2.498 ( -0.000 4.369 -3.341) 5.500 2.563 ( 0.000 -0.738 0.711) 1.025 2.602 ( 0.000 -0.059 1.537) 1.538 2.604 ( 0.000 -2.501 -4.442) 5.097 2.635 ( 0.000 -0.007 -1.376) 1.376 2.722 ( -0.000 2.332 2.001) 3.073 2.747 ( 0.000 -2.316 2.999) 3.789 2.808 ( 0.000 -0.022 -2.325) 2.325 2.844 ( -0.000 0.191 0.314) 0.367 2.851 ( 0.000 -0.519 -0.308) 0.604 2.889 ( 0.000 -0.589 -6.542) 6.568 3.047 ( 0.000 -0.180 6.505) 6.508 3.137 ( -0.000 0.414 -1.885) 1.930 3.458 ( 0.000 -1.851 -0.225) 1.865 3.545 ( 0.000 -4.276 -7.910) 8.992 3.664 ( -0.000 0.102 5.072) 5.073 3.775 ( -0.000 1.902 2.399) 3.061 3.788 ( 0.000 -0.180 -0.581) 0.609 3.896 ( -0.000 0.966 -2.618) 2.791 4.010 ( -0.000 0.298 0.062) 0.304 4.012 ( -0.000 0.307 -0.135) 0.335 4.060 ( -0.000 0.264 0.576) 0.634 4.072 ( -0.000 0.229 -0.501) 0.551 4.364 ( 0.000 -0.395 3.128) 3.153 4.426 ( 0.000 -0.548 -2.210) 2.277 4.578 ( 0.000 -0.576 8.097) 8.117 4.763 ( 0.000 -0.052 -8.903) 8.904 4.875 ( -0.000 0.702 2.660) 2.751 4.937 ( -0.000 0.965 -2.424) 2.608 5.135 ( 0.000 -0.442 2.969) 3.002 5.180 ( 0.000 -0.010 2.213) 2.213 5.218 ( 0.000 -0.477 -3.775) 3.805 5.248 ( 0.000 -0.893 -4.264) 4.356 5.376 ( -0.000 0.170 1.396) 1.406 5.405 ( -0.000 0.101 -1.225) 1.230 5.526 ( -0.000 0.209 9.609) 9.611 5.581 ( 0.000 -0.001 3.022) 3.022 5.673 ( -0.000 0.488 -1.909) 1.971 5.726 ( -0.000 1.323 -5.348) 5.509 5.739 ( 0.000 -0.084 0.463) 0.470 5.751 ( 0.000 -0.068 -0.621) 0.624 5.760 ( 0.000 -1.154 4.063) 4.223 5.825 ( -0.000 0.142 0.837) 0.849 5.842 ( -0.000 0.162 -0.702) 0.720 5.899 ( -0.000 0.472 -6.428) 6.445 6.167 ( -0.000 0.039 0.447) 0.449 6.177 ( -0.000 0.039 -0.425) 0.426 6.250 ( 0.000 -0.212 3.814) 3.820 6.307 ( 0.000 -0.858 -1.439) 1.675 =================== 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 3/33462 10.0 533.483 1171.018 380.785 0.000 0.000 -0.000 3/33462 20.0 110.964 98.330 52.758 0.000 0.000 -0.000 3/33462 30.0 41.845 29.551 17.597 0.000 0.000 -0.000 3/33462 40.0 22.428 14.638 9.064 0.000 0.000 -0.000 3/33462 50.0 14.613 9.186 5.801 0.000 0.000 -0.000 3/33462 60.0 10.685 6.567 4.199 0.000 0.000 -0.000 3/33462 70.0 8.398 5.082 3.278 0.000 0.000 -0.000 3/33462 80.0 6.923 4.142 2.690 0.000 0.000 -0.000 3/33462 90.0 5.900 3.498 2.285 0.000 0.000 -0.000 3/33462 100.0 5.149 3.032 1.989 0.000 0.000 -0.000 3/33462 110.0 4.574 2.678 1.763 0.000 0.000 -0.000 3/33462 120.0 4.120 2.401 1.586 0.000 0.000 -0.000 3/33462 130.0 3.751 2.178 1.442 0.000 0.000 -0.000 3/33462 140.0 3.446 1.994 1.324 0.000 0.000 -0.000 3/33462 150.0 3.188 1.840 1.224 0.000 0.000 -0.000 3/33462 160.0 2.968 1.709 1.138 0.000 0.000 -0.000 3/33462 170.0 2.777 1.596 1.065 0.000 0.000 -0.000 3/33462 180.0 2.610 1.498 1.000 0.000 0.000 -0.000 3/33462 190.0 2.462 1.411 0.943 0.000 0.000 -0.000 3/33462 200.0 2.331 1.334 0.893 0.000 0.000 -0.000 3/33462 210.0 2.214 1.266 0.848 0.000 0.000 -0.000 3/33462 220.0 2.108 1.204 0.807 0.000 0.000 -0.000 3/33462 230.0 2.012 1.148 0.770 0.000 0.000 -0.000 3/33462 240.0 1.924 1.097 0.736 0.000 0.000 -0.000 3/33462 250.0 1.844 1.051 0.706 0.000 0.000 -0.000 3/33462 260.0 1.771 1.008 0.677 0.000 0.000 -0.000 3/33462 270.0 1.703 0.969 0.651 0.000 0.000 -0.000 3/33462 280.0 1.640 0.933 0.627 0.000 0.000 -0.000 3/33462 290.0 1.582 0.899 0.605 0.000 0.000 -0.000 3/33462 300.0 1.528 0.868 0.584 0.000 0.000 -0.000 3/33462 310.0 1.478 0.839 0.565 0.000 0.000 -0.000 3/33462 320.0 1.430 0.812 0.547 0.000 0.000 -0.000 3/33462 330.0 1.386 0.787 0.530 0.000 0.000 -0.000 3/33462 340.0 1.345 0.763 0.514 0.000 0.000 -0.000 3/33462 350.0 1.305 0.740 0.499 0.000 0.000 -0.000 3/33462 360.0 1.269 0.719 0.485 0.000 0.000 -0.000 3/33462 370.0 1.234 0.699 0.472 0.000 0.000 -0.000 3/33462 380.0 1.201 0.681 0.459 0.000 0.000 -0.000 3/33462 390.0 1.170 0.663 0.447 0.000 0.000 -0.000 3/33462 400.0 1.140 0.646 0.436 0.000 0.000 -0.000 3/33462 410.0 1.112 0.630 0.425 0.000 0.000 -0.000 3/33462 420.0 1.085 0.614 0.415 0.000 0.000 -0.000 3/33462 430.0 1.060 0.600 0.405 0.000 0.000 -0.000 3/33462 440.0 1.035 0.586 0.396 0.000 0.000 -0.000 3/33462 450.0 1.012 0.573 0.387 0.000 0.000 -0.000 3/33462 460.0 0.990 0.560 0.378 0.000 0.000 -0.000 3/33462 470.0 0.969 0.548 0.370 0.000 0.000 -0.000 3/33462 480.0 0.948 0.536 0.362 0.000 0.000 -0.000 3/33462 490.0 0.929 0.525 0.355 0.000 0.000 -0.000 3/33462 500.0 0.910 0.515 0.348 0.000 0.000 -0.000 3/33462 510.0 0.892 0.505 0.341 0.000 0.000 -0.000 3/33462 520.0 0.875 0.495 0.334 0.000 0.000 -0.000 3/33462 530.0 0.858 0.485 0.328 0.000 0.000 -0.000 3/33462 540.0 0.842 0.476 0.322 0.000 0.000 -0.000 3/33462 550.0 0.827 0.467 0.316 0.000 0.000 -0.000 3/33462 560.0 0.812 0.459 0.310 0.000 0.000 -0.000 3/33462 570.0 0.798 0.451 0.305 0.000 0.000 -0.000 3/33462 580.0 0.784 0.443 0.300 0.000 0.000 -0.000 3/33462 590.0 0.770 0.435 0.294 0.000 0.000 -0.000 3/33462 600.0 0.758 0.428 0.289 0.000 0.000 -0.000 3/33462 610.0 0.745 0.421 0.285 0.000 0.000 -0.000 3/33462 620.0 0.733 0.414 0.280 0.000 0.000 -0.000 3/33462 630.0 0.721 0.408 0.276 0.000 0.000 -0.000 3/33462 640.0 0.710 0.401 0.271 0.000 0.000 -0.000 3/33462 650.0 0.699 0.395 0.267 0.000 0.000 -0.000 3/33462 660.0 0.688 0.389 0.263 0.000 0.000 -0.000 3/33462 670.0 0.678 0.383 0.259 0.000 0.000 -0.000 3/33462 680.0 0.668 0.377 0.255 0.000 0.000 -0.000 3/33462 690.0 0.658 0.372 0.252 0.000 0.000 -0.000 3/33462 700.0 0.649 0.367 0.248 0.000 0.000 -0.000 3/33462 710.0 0.640 0.361 0.244 0.000 0.000 -0.000 3/33462 720.0 0.631 0.356 0.241 0.000 0.000 -0.000 3/33462 730.0 0.622 0.351 0.238 0.000 0.000 -0.000 3/33462 740.0 0.614 0.347 0.235 0.000 0.000 -0.000 3/33462 750.0 0.606 0.342 0.231 0.000 0.000 -0.000 3/33462 760.0 0.598 0.337 0.228 0.000 0.000 -0.000 3/33462 770.0 0.590 0.333 0.225 0.000 0.000 -0.000 3/33462 780.0 0.582 0.329 0.222 0.000 0.000 -0.000 3/33462 790.0 0.575 0.325 0.220 0.000 0.000 -0.000 3/33462 800.0 0.568 0.321 0.217 0.000 0.000 -0.000 3/33462 810.0 0.561 0.317 0.214 0.000 0.000 -0.000 3/33462 820.0 0.554 0.313 0.212 0.000 0.000 -0.000 3/33462 830.0 0.547 0.309 0.209 0.000 0.000 -0.000 3/33462 840.0 0.541 0.305 0.207 0.000 0.000 -0.000 3/33462 850.0 0.534 0.302 0.204 0.000 0.000 -0.000 3/33462 860.0 0.528 0.298 0.202 0.000 0.000 -0.000 3/33462 870.0 0.522 0.295 0.199 0.000 0.000 -0.000 3/33462 880.0 0.516 0.291 0.197 0.000 0.000 -0.000 3/33462 890.0 0.510 0.288 0.195 0.000 0.000 -0.000 3/33462 900.0 0.505 0.285 0.193 0.000 0.000 -0.000 3/33462 910.0 0.499 0.282 0.191 0.000 0.000 -0.000 3/33462 920.0 0.494 0.279 0.189 0.000 0.000 -0.000 3/33462 930.0 0.488 0.276 0.187 0.000 0.000 -0.000 3/33462 940.0 0.483 0.273 0.185 0.000 0.000 -0.000 3/33462 950.0 0.478 0.270 0.183 0.000 0.000 -0.000 3/33462 960.0 0.473 0.267 0.181 0.000 0.000 -0.000 3/33462 970.0 0.468 0.264 0.179 0.000 0.000 -0.000 3/33462 980.0 0.463 0.261 0.177 0.000 0.000 -0.000 3/33462 990.0 0.459 0.259 0.175 0.000 0.000 -0.000 3/33462 1000.0 0.454 0.256 0.173 0.000 0.000 -0.000 3/33462 Thermal conductivity related properties were written into "kappa-m13133.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-09 04:15:13]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|