----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-08 22:34:19]------------------------- Compiled with OpenMP support (max 128 threads). Running in phonopy.load mode. Python version 3.14.2 Spglib version 2.6.1 Crystal structure was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". Unit of length: angstrom Settings: Supercell: [1 3 1] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: Pnma (62) Number of symmetry operations in supercell: 24 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 10.337084060000000 0.000000000000000 0.000000000000000 b 0.000000000000000 3.682265890000000 0.000000000000000 c 0.000000000000000 0.000000000000000 11.224815449999999 Atomic positions (fractional): *1 Tb 0.11477037538504 0.25000000000000 0.77608801131066 158.925 *2 Tb 0.13628797377098 0.25000000000000 0.44405943516089 158.925 3 Tb 0.36371202622902 0.75000000000000 0.94405943516089 158.925 4 Tb 0.38522962461496 0.75000000000000 0.27608801131066 158.925 5 Tb 0.61477037538504 0.25000000000000 0.72391198868934 158.925 6 Tb 0.63628797377098 0.25000000000000 0.05594056483911 158.925 7 Tb 0.86371202622902 0.75000000000000 0.55594056483911 158.925 8 Tb 0.88522962461496 0.75000000000000 0.22391198868934 158.925 *9 Ti 0.17438742753181 0.25000000000000 0.11947845136820 47.867 10 Ti 0.32561257246819 0.75000000000000 0.61947845136820 47.867 11 Ti 0.67438742753181 0.25000000000000 0.38052154863180 47.867 12 Ti 0.82561257246819 0.75000000000000 0.88052154863180 47.867 *13 O 0.00688488056649 0.75000000000000 0.39543901124018 15.999 *14 O 0.00677976840207 0.25000000000000 0.15484050025214 15.999 *15 O 0.22386389404175 0.25000000000000 0.95709038049131 15.999 *16 O 0.23737521864426 0.75000000000000 0.11676253329261 15.999 *17 O 0.24318945153382 0.75000000000000 0.77071900826746 15.999 18 O 0.25681054846618 0.25000000000000 0.27071900826746 15.999 19 O 0.26262478135574 0.25000000000000 0.61676253329261 15.999 20 O 0.27613610595825 0.75000000000000 0.45709038049131 15.999 21 O 0.49322023159793 0.75000000000000 0.65484050025214 15.999 22 O 0.49311511943351 0.25000000000000 0.89543901124018 15.999 23 O 0.50688488056649 0.75000000000000 0.10456098875982 15.999 24 O 0.50677976840207 0.25000000000000 0.34515949974786 15.999 25 O 0.72386389404175 0.25000000000000 0.54290961950869 15.999 26 O 0.73737521864426 0.75000000000000 0.38323746670739 15.999 27 O 0.74318945153382 0.75000000000000 0.72928099173254 15.999 28 O 0.75681054846618 0.25000000000000 0.22928099173254 15.999 29 O 0.76262478135574 0.25000000000000 0.88323746670739 15.999 30 O 0.77613610595825 0.75000000000000 0.04290961950869 15.999 31 O 0.99322023159793 0.75000000000000 0.84515949974786 15.999 32 O 0.99311511943351 0.25000000000000 0.60456098875982 15.999 -------------------------------- unit cell --------------------------------- Lattice vectors: a 10.337084060000000 0.000000000000000 0.000000000000000 b 0.000000000000000 3.682265890000000 0.000000000000000 c 0.000000000000000 0.000000000000000 11.224815449999999 Atomic positions (fractional): *1 Tb 0.11477037538504 0.25000000000000 0.77608801131066 158.925 > 1 *2 Tb 0.13628797377098 0.25000000000000 0.44405943516089 158.925 > 2 3 Tb 0.36371202622902 0.75000000000000 0.94405943516089 158.925 > 3 4 Tb 0.38522962461496 0.75000000000000 0.27608801131066 158.925 > 4 5 Tb 0.61477037538504 0.25000000000000 0.72391198868934 158.925 > 5 6 Tb 0.63628797377098 0.25000000000000 0.05594056483911 158.925 > 6 7 Tb 0.86371202622902 0.75000000000000 0.55594056483911 158.925 > 7 8 Tb 0.88522962461496 0.75000000000000 0.22391198868934 158.925 > 8 *9 Ti 0.17438742753181 0.25000000000000 0.11947845136820 47.867 > 9 10 Ti 0.32561257246819 0.75000000000000 0.61947845136820 47.867 > 10 11 Ti 0.67438742753181 0.25000000000000 0.38052154863180 47.867 > 11 12 Ti 0.82561257246819 0.75000000000000 0.88052154863180 47.867 > 12 *13 O 0.00688488056649 0.75000000000000 0.39543901124018 15.999 > 13 *14 O 0.00677976840207 0.25000000000000 0.15484050025214 15.999 > 14 *15 O 0.22386389404175 0.25000000000000 0.95709038049131 15.999 > 15 *16 O 0.23737521864426 0.75000000000000 0.11676253329261 15.999 > 16 *17 O 0.24318945153382 0.75000000000000 0.77071900826746 15.999 > 17 18 O 0.25681054846618 0.25000000000000 0.27071900826746 15.999 > 18 19 O 0.26262478135574 0.25000000000000 0.61676253329261 15.999 > 19 20 O 0.27613610595825 0.75000000000000 0.45709038049131 15.999 > 20 21 O 0.49322023159793 0.75000000000000 0.65484050025214 15.999 > 21 22 O 0.49311511943351 0.25000000000000 0.89543901124018 15.999 > 22 23 O 0.50688488056649 0.75000000000000 0.10456098875982 15.999 > 23 24 O 0.50677976840207 0.25000000000000 0.34515949974786 15.999 > 24 25 O 0.72386389404175 0.25000000000000 0.54290961950869 15.999 > 25 26 O 0.73737521864426 0.75000000000000 0.38323746670739 15.999 > 26 27 O 0.74318945153382 0.75000000000000 0.72928099173254 15.999 > 27 28 O 0.75681054846618 0.25000000000000 0.22928099173254 15.999 > 28 29 O 0.76262478135574 0.25000000000000 0.88323746670739 15.999 > 29 30 O 0.77613610595825 0.75000000000000 0.04290961950869 15.999 > 30 31 O 0.99322023159793 0.75000000000000 0.84515949974786 15.999 > 31 32 O 0.99311511943351 0.25000000000000 0.60456098875982 15.999 > 32 -------------------------------- super cell -------------------------------- Lattice vectors: a 10.337084060000000 0.000000000000000 0.000000000000000 b 0.000000000000000 11.046797670000000 0.000000000000000 c 0.000000000000000 0.000000000000000 11.224815449999999 Atomic positions (fractional): *1 Tb 0.11477037538504 0.08333333333333 0.77608801131066 158.925 > 1 2 Tb 0.11477037538504 0.41666666666667 0.77608801131066 158.925 > 1 3 Tb 0.11477037538504 0.75000000000000 0.77608801131066 158.925 > 1 *4 Tb 0.13628797377098 0.08333333333333 0.44405943516089 158.925 > 2 5 Tb 0.13628797377098 0.41666666666667 0.44405943516089 158.925 > 2 6 Tb 0.13628797377098 0.75000000000000 0.44405943516089 158.925 > 2 7 Tb 0.36371202622902 0.25000000000000 0.94405943516089 158.925 > 3 8 Tb 0.36371202622902 0.58333333333333 0.94405943516089 158.925 > 3 9 Tb 0.36371202622902 0.91666666666667 0.94405943516089 158.925 > 3 10 Tb 0.38522962461496 0.25000000000000 0.27608801131066 158.925 > 4 11 Tb 0.38522962461496 0.58333333333333 0.27608801131066 158.925 > 4 12 Tb 0.38522962461496 0.91666666666667 0.27608801131066 158.925 > 4 13 Tb 0.61477037538504 0.08333333333333 0.72391198868934 158.925 > 5 14 Tb 0.61477037538504 0.41666666666667 0.72391198868934 158.925 > 5 15 Tb 0.61477037538504 0.75000000000000 0.72391198868934 158.925 > 5 16 Tb 0.63628797377098 0.08333333333333 0.05594056483911 158.925 > 6 17 Tb 0.63628797377098 0.41666666666667 0.05594056483911 158.925 > 6 18 Tb 0.63628797377098 0.75000000000000 0.05594056483911 158.925 > 6 19 Tb 0.86371202622902 0.25000000000000 0.55594056483911 158.925 > 7 20 Tb 0.86371202622902 0.58333333333333 0.55594056483911 158.925 > 7 21 Tb 0.86371202622902 0.91666666666667 0.55594056483911 158.925 > 7 22 Tb 0.88522962461496 0.25000000000000 0.22391198868934 158.925 > 8 23 Tb 0.88522962461496 0.58333333333333 0.22391198868934 158.925 > 8 24 Tb 0.88522962461496 0.91666666666667 0.22391198868934 158.925 > 8 *25 Ti 0.17438742753181 0.08333333333333 0.11947845136820 47.867 > 9 26 Ti 0.17438742753181 0.41666666666667 0.11947845136820 47.867 > 9 27 Ti 0.17438742753181 0.75000000000000 0.11947845136820 47.867 > 9 28 Ti 0.32561257246819 0.25000000000000 0.61947845136820 47.867 > 10 29 Ti 0.32561257246819 0.58333333333333 0.61947845136820 47.867 > 10 30 Ti 0.32561257246819 0.91666666666667 0.61947845136820 47.867 > 10 31 Ti 0.67438742753181 0.08333333333333 0.38052154863180 47.867 > 11 32 Ti 0.67438742753181 0.41666666666667 0.38052154863180 47.867 > 11 33 Ti 0.67438742753181 0.75000000000000 0.38052154863180 47.867 > 11 34 Ti 0.82561257246819 0.25000000000000 0.88052154863180 47.867 > 12 35 Ti 0.82561257246819 0.58333333333333 0.88052154863180 47.867 > 12 36 Ti 0.82561257246819 0.91666666666667 0.88052154863180 47.867 > 12 *37 O 0.00688488056649 0.25000000000000 0.39543901124018 15.999 > 13 38 O 0.00688488056649 0.58333333333333 0.39543901124018 15.999 > 13 39 O 0.00688488056649 0.91666666666667 0.39543901124018 15.999 > 13 *40 O 0.00677976840207 0.08333333333333 0.15484050025214 15.999 > 14 41 O 0.00677976840207 0.41666666666667 0.15484050025214 15.999 > 14 42 O 0.00677976840207 0.75000000000000 0.15484050025214 15.999 > 14 *43 O 0.22386389404175 0.08333333333333 0.95709038049131 15.999 > 15 44 O 0.22386389404175 0.41666666666667 0.95709038049131 15.999 > 15 45 O 0.22386389404175 0.75000000000000 0.95709038049131 15.999 > 15 *46 O 0.23737521864426 0.25000000000000 0.11676253329261 15.999 > 16 47 O 0.23737521864426 0.58333333333333 0.11676253329261 15.999 > 16 48 O 0.23737521864426 0.91666666666667 0.11676253329261 15.999 > 16 *49 O 0.24318945153382 0.25000000000000 0.77071900826746 15.999 > 17 50 O 0.24318945153382 0.58333333333333 0.77071900826746 15.999 > 17 51 O 0.24318945153382 0.91666666666667 0.77071900826746 15.999 > 17 52 O 0.25681054846618 0.08333333333333 0.27071900826746 15.999 > 18 53 O 0.25681054846618 0.41666666666667 0.27071900826746 15.999 > 18 54 O 0.25681054846618 0.75000000000000 0.27071900826746 15.999 > 18 55 O 0.26262478135574 0.08333333333333 0.61676253329261 15.999 > 19 56 O 0.26262478135574 0.41666666666667 0.61676253329261 15.999 > 19 57 O 0.26262478135574 0.75000000000000 0.61676253329261 15.999 > 19 58 O 0.27613610595825 0.25000000000000 0.45709038049131 15.999 > 20 59 O 0.27613610595825 0.58333333333333 0.45709038049131 15.999 > 20 60 O 0.27613610595825 0.91666666666667 0.45709038049131 15.999 > 20 61 O 0.49322023159793 0.25000000000000 0.65484050025214 15.999 > 21 62 O 0.49322023159793 0.58333333333333 0.65484050025214 15.999 > 21 63 O 0.49322023159793 0.91666666666667 0.65484050025214 15.999 > 21 64 O 0.49311511943351 0.08333333333333 0.89543901124018 15.999 > 22 65 O 0.49311511943351 0.41666666666667 0.89543901124018 15.999 > 22 66 O 0.49311511943351 0.75000000000000 0.89543901124018 15.999 > 22 67 O 0.50688488056649 0.25000000000000 0.10456098875982 15.999 > 23 68 O 0.50688488056649 0.58333333333333 0.10456098875982 15.999 > 23 69 O 0.50688488056649 0.91666666666667 0.10456098875982 15.999 > 23 70 O 0.50677976840207 0.08333333333333 0.34515949974786 15.999 > 24 71 O 0.50677976840207 0.41666666666667 0.34515949974786 15.999 > 24 72 O 0.50677976840207 0.75000000000000 0.34515949974786 15.999 > 24 73 O 0.72386389404175 0.08333333333333 0.54290961950869 15.999 > 25 74 O 0.72386389404175 0.41666666666667 0.54290961950869 15.999 > 25 75 O 0.72386389404175 0.75000000000000 0.54290961950869 15.999 > 25 76 O 0.73737521864426 0.25000000000000 0.38323746670739 15.999 > 26 77 O 0.73737521864426 0.58333333333333 0.38323746670739 15.999 > 26 78 O 0.73737521864426 0.91666666666667 0.38323746670739 15.999 > 26 79 O 0.74318945153382 0.25000000000000 0.72928099173254 15.999 > 27 80 O 0.74318945153382 0.58333333333333 0.72928099173254 15.999 > 27 81 O 0.74318945153382 0.91666666666667 0.72928099173254 15.999 > 27 82 O 0.75681054846618 0.08333333333333 0.22928099173254 15.999 > 28 83 O 0.75681054846618 0.41666666666667 0.22928099173254 15.999 > 28 84 O 0.75681054846618 0.75000000000000 0.22928099173254 15.999 > 28 85 O 0.76262478135574 0.08333333333333 0.88323746670739 15.999 > 29 86 O 0.76262478135574 0.41666666666667 0.88323746670739 15.999 > 29 87 O 0.76262478135574 0.75000000000000 0.88323746670739 15.999 > 29 88 O 0.77613610595825 0.25000000000000 0.04290961950869 15.999 > 30 89 O 0.77613610595825 0.58333333333333 0.04290961950869 15.999 > 30 90 O 0.77613610595825 0.91666666666667 0.04290961950869 15.999 > 30 91 O 0.99322023159793 0.25000000000000 0.84515949974786 15.999 > 31 92 O 0.99322023159793 0.58333333333333 0.84515949974786 15.999 > 31 93 O 0.99322023159793 0.91666666666667 0.84515949974786 15.999 > 31 94 O 0.99311511943351 0.08333333333333 0.60456098875982 15.999 > 32 95 O 0.99311511943351 0.41666666666667 0.60456098875982 15.999 > 32 96 O 0.99311511943351 0.75000000000000 0.60456098875982 15.999 > 32 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 4.4494575 0.0000000 0.0000000 0.0000000 4.6462823 0.0000000 0.0000000 0.0000000 4.6104249 -------------------------- Born effective charges -------------------------- 1 Tb 4.3071550 0.0000000 -0.0407052 0.0000000 3.8851400 0.0000000 0.4175012 0.0000000 4.1217707 2 Tb 3.8631346 0.0000000 -0.3185716 0.0000000 3.9182071 0.0000000 0.0614722 0.0000000 3.6775138 3 Tb 3.8631346 0.0000000 0.3185716 0.0000000 3.9182071 0.0000000 -0.0614722 0.0000000 3.6775138 4 Tb 4.3071550 0.0000000 0.0407052 0.0000000 3.8851400 0.0000000 -0.4175012 0.0000000 4.1217707 5 Tb 4.3071550 0.0000000 0.0407052 0.0000000 3.8851400 0.0000000 -0.4175012 0.0000000 4.1217707 6 Tb 3.8631346 0.0000000 0.3185716 0.0000000 3.9182071 0.0000000 -0.0614722 0.0000000 3.6775138 7 Tb 3.8631346 0.0000000 -0.3185716 0.0000000 3.9182071 0.0000000 0.0614722 0.0000000 3.6775138 8 Tb 4.3071550 0.0000000 -0.0407052 0.0000000 3.8851400 0.0000000 0.4175012 0.0000000 4.1217707 9 Ti 3.5702005 0.0000000 -0.1288820 0.0000000 5.1464740 0.0000000 -0.4650194 0.0000000 4.6484200 10 Ti 3.5702005 0.0000000 0.1288820 0.0000000 5.1464740 0.0000000 0.4650194 0.0000000 4.6484200 11 Ti 3.5702005 0.0000000 0.1288820 0.0000000 5.1464740 0.0000000 0.4650194 0.0000000 4.6484200 12 Ti 3.5702005 0.0000000 -0.1288820 0.0000000 5.1464740 0.0000000 -0.4650194 0.0000000 4.6484200 13 O -2.5280216 0.0000000 -0.0816896 0.0000000 -2.3945371 0.0000000 -0.4341872 0.0000000 -2.5483134 14 O -3.5599809 0.0000000 0.8188520 0.0000000 -1.8139823 0.0000000 0.8227042 0.0000000 -1.2877251 15 O -1.8689303 0.0000000 0.0929481 0.0000000 -2.2816599 0.0000000 0.3215082 0.0000000 -3.6950505 16 O -1.5698053 0.0000000 -0.0737542 0.0000000 -4.0311578 0.0000000 0.1029036 0.0000000 -1.8123679 17 O -2.2137520 0.0000000 0.3200896 0.0000000 -2.4284839 0.0000000 0.3841655 0.0000000 -3.1042476 18 O -2.2137520 0.0000000 -0.3200896 0.0000000 -2.4284839 0.0000000 -0.3841655 0.0000000 -3.1042476 19 O -1.5698053 0.0000000 0.0737542 0.0000000 -4.0311578 0.0000000 -0.1029036 0.0000000 -1.8123679 20 O -1.8689303 0.0000000 -0.0929481 0.0000000 -2.2816599 0.0000000 -0.3215082 0.0000000 -3.6950505 21 O -3.5599809 0.0000000 -0.8188520 0.0000000 -1.8139823 0.0000000 -0.8227042 0.0000000 -1.2877251 22 O -2.5280216 0.0000000 0.0816896 0.0000000 -2.3945371 0.0000000 0.4341872 0.0000000 -2.5483134 23 O -2.5280216 0.0000000 0.0816896 0.0000000 -2.3945371 0.0000000 0.4341872 0.0000000 -2.5483134 24 O -3.5599809 0.0000000 -0.8188520 0.0000000 -1.8139823 0.0000000 -0.8227042 0.0000000 -1.2877251 25 O -1.8689303 0.0000000 -0.0929481 0.0000000 -2.2816599 0.0000000 -0.3215082 0.0000000 -3.6950505 26 O -1.5698053 0.0000000 0.0737542 0.0000000 -4.0311578 0.0000000 -0.1029036 0.0000000 -1.8123679 27 O -2.2137520 0.0000000 -0.3200896 0.0000000 -2.4284839 0.0000000 -0.3841655 0.0000000 -3.1042476 28 O -2.2137520 0.0000000 0.3200896 0.0000000 -2.4284839 0.0000000 0.3841655 0.0000000 -3.1042476 29 O -1.5698053 0.0000000 -0.0737542 0.0000000 -4.0311578 0.0000000 0.1029036 0.0000000 -1.8123679 30 O -1.8689303 0.0000000 0.0929481 0.0000000 -2.2816599 0.0000000 0.3215082 0.0000000 -3.6950505 31 O -3.5599809 0.0000000 0.8188520 0.0000000 -1.8139823 0.0000000 0.8227042 0.0000000 -1.2877251 32 O -2.5280216 0.0000000 -0.0816896 0.0000000 -2.3945371 0.0000000 -0.4341872 0.0000000 -2.5483134 ---------------------------------------------------------------------------- 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: 288/288 Permutation basis: 14064/14064 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 1888 Number of blocks in projector: 1888 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: 512 Use submatrix version of eigh solver. (1) Block: 512 / 512 (2) Block: 250 / 512 (2) 234 eigenvectors found. (2) Block: 512 / 512 (2) 246 eigenvectors found. (2) Complementary block size: 32 (2) Compute compressed projector. (2) Use standard solver. (2) 16 eigenvectors found. (1) 496 eigenvectors found. (1) Complementary block size: 16 (1) Compute compressed projector. (1) Use standard solver. (1) 0 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 288 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 288 Use standard eigh solver. --- Eigsh_solver_block: 4 / 6 --- Block_size: 288 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 256 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 256 Use standard eigh solver. Tree of FC basis block matrices: - (1888, 1848), data: False |-- (256, 256), data: True |-- (256, 256), data: True |-- (288, 280), data: True |-- (288, 280), data: True |-- (288, 280), data: True |-- (512, 496), data: False |-- (512, 496), data: False |-- (512, 16), data: (512, 32) @ (32, 16) |-- (262, 246), data: True |-- (250, 234), data: True ----- Solver_atoms: 1 -- 96 / 96 Time (Solver_compr_matrix_reshape): 0.002 Solver_block: 100 / 480 - Time: 2.549 Solver_block: 200 / 480 - Time: 2.575 Solver_block: 300 / 480 - Time: 2.568 Solver_block: 400 / 480 - Time: 2.566 Solver_block: 480 / 480 - Time: 2.093 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 12.400 --------------------------------- Symfc end -------------------------------- Max drift of force constants: 0.00000000 (xx) 0.00000000 (xx) Permutation basis: 288/288 Permutation basis: 14064/14064 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 1888 Number of blocks in projector: 1888 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: 512 Use submatrix version of eigh solver. (1) Block: 512 / 512 (2) Block: 250 / 512 (2) 234 eigenvectors found. (2) Block: 512 / 512 (2) 246 eigenvectors found. (2) Complementary block size: 32 (2) Compute compressed projector. (2) Use standard solver. (2) 16 eigenvectors found. (1) 496 eigenvectors found. (1) Complementary block size: 16 (1) Compute compressed projector. (1) Use standard solver. (1) 0 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 288 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 288 Use standard eigh solver. --- Eigsh_solver_block: 4 / 6 --- Block_size: 288 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 256 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 256 Use standard eigh solver. Tree of FC basis block matrices: - (1888, 1848), data: False |-- (256, 256), data: True |-- (256, 256), data: True |-- (288, 280), data: True |-- (288, 280), data: True |-- (288, 280), data: True |-- (512, 496), data: False |-- (512, 496), data: False |-- (512, 16), data: (512, 32) @ (32, 16) |-- (262, 246), data: True |-- (250, 234), data: True Max drift after symmetrization by symfc projector: 0.00000000 (xx) 0.00000000 (xx) Force constants are written into "force_constants.hdf5". ---------------------------------------------------------------------------- One of the following run modes may be specified for phonon calculations. - Mesh sampling (MESH, --mesh) - Q-points (QPOINTS, --qpoints) - Band structure (BAND, --band) - Animation (ANIME, --anime) - Modulation (MODULATION, --modulation) - Characters of Irreps (IRREPS, --irreps) - Create displacements (CREATE_DISPLACEMENTS, -d) ---------------------------------------------------------------------------- Summary of calculation was written in "phonopy.yaml". -------------------------[time 2026-01-08 22:34:48]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 22:34:49]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: force constants HDF5 data compression filter: gzip Crystal structure was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". Supercell (dim): [1 3 1] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: Pnma (62) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 10.337084060000000 0.000000000000000 0.000000000000000 b 0.000000000000000 3.682265890000000 0.000000000000000 c 0.000000000000000 0.000000000000000 11.224815449999999 Atomic positions (fractional): 1 Tb 0.11477037538504 0.25000000000000 0.77608801131066 158.925 2 Tb 0.13628797377098 0.25000000000000 0.44405943516089 158.925 3 Tb 0.36371202622902 0.75000000000000 0.94405943516089 158.925 4 Tb 0.38522962461496 0.75000000000000 0.27608801131066 158.925 5 Tb 0.61477037538504 0.25000000000000 0.72391198868934 158.925 6 Tb 0.63628797377098 0.25000000000000 0.05594056483911 158.925 7 Tb 0.86371202622902 0.75000000000000 0.55594056483911 158.925 8 Tb 0.88522962461496 0.75000000000000 0.22391198868934 158.925 9 Ti 0.17438742753181 0.25000000000000 0.11947845136820 47.867 10 Ti 0.32561257246819 0.75000000000000 0.61947845136820 47.867 11 Ti 0.67438742753181 0.25000000000000 0.38052154863180 47.867 12 Ti 0.82561257246819 0.75000000000000 0.88052154863180 47.867 13 O 0.00688488056649 0.75000000000000 0.39543901124018 15.999 14 O 0.00677976840207 0.25000000000000 0.15484050025214 15.999 15 O 0.22386389404175 0.25000000000000 0.95709038049131 15.999 16 O 0.23737521864426 0.75000000000000 0.11676253329261 15.999 17 O 0.24318945153382 0.75000000000000 0.77071900826746 15.999 18 O 0.25681054846618 0.25000000000000 0.27071900826746 15.999 19 O 0.26262478135574 0.25000000000000 0.61676253329261 15.999 20 O 0.27613610595825 0.75000000000000 0.45709038049131 15.999 21 O 0.49322023159793 0.75000000000000 0.65484050025214 15.999 22 O 0.49311511943351 0.25000000000000 0.89543901124018 15.999 23 O 0.50688488056649 0.75000000000000 0.10456098875982 15.999 24 O 0.50677976840207 0.25000000000000 0.34515949974786 15.999 25 O 0.72386389404175 0.25000000000000 0.54290961950869 15.999 26 O 0.73737521864426 0.75000000000000 0.38323746670739 15.999 27 O 0.74318945153382 0.75000000000000 0.72928099173254 15.999 28 O 0.75681054846618 0.25000000000000 0.22928099173254 15.999 29 O 0.76262478135574 0.25000000000000 0.88323746670739 15.999 30 O 0.77613610595825 0.75000000000000 0.04290961950869 15.999 31 O 0.99322023159793 0.75000000000000 0.84515949974786 15.999 32 O 0.99311511943351 0.25000000000000 0.60456098875982 15.999 -------------------------------- supercell --------------------------------- Lattice vectors: a 10.337084060000000 0.000000000000000 0.000000000000000 b 0.000000000000000 11.046797670000000 0.000000000000000 c 0.000000000000000 0.000000000000000 11.224815449999999 Atomic positions (fractional): 1 Tb 0.11477037538504 0.08333333333333 0.77608801131066 158.925 > 1 2 Tb 0.11477037538504 0.41666666666667 0.77608801131066 158.925 > 1 3 Tb 0.11477037538504 0.75000000000000 0.77608801131066 158.925 > 1 4 Tb 0.13628797377098 0.08333333333333 0.44405943516089 158.925 > 4 5 Tb 0.13628797377098 0.41666666666667 0.44405943516089 158.925 > 4 6 Tb 0.13628797377098 0.75000000000000 0.44405943516089 158.925 > 4 7 Tb 0.36371202622902 0.25000000000000 0.94405943516089 158.925 > 7 8 Tb 0.36371202622902 0.58333333333333 0.94405943516089 158.925 > 7 9 Tb 0.36371202622902 0.91666666666667 0.94405943516089 158.925 > 7 10 Tb 0.38522962461496 0.25000000000000 0.27608801131066 158.925 > 10 11 Tb 0.38522962461496 0.58333333333333 0.27608801131066 158.925 > 10 12 Tb 0.38522962461496 0.91666666666667 0.27608801131066 158.925 > 10 13 Tb 0.61477037538504 0.08333333333333 0.72391198868934 158.925 > 13 14 Tb 0.61477037538504 0.41666666666667 0.72391198868934 158.925 > 13 15 Tb 0.61477037538504 0.75000000000000 0.72391198868934 158.925 > 13 16 Tb 0.63628797377098 0.08333333333333 0.05594056483911 158.925 > 16 17 Tb 0.63628797377098 0.41666666666667 0.05594056483911 158.925 > 16 18 Tb 0.63628797377098 0.75000000000000 0.05594056483911 158.925 > 16 19 Tb 0.86371202622902 0.25000000000000 0.55594056483911 158.925 > 19 20 Tb 0.86371202622902 0.58333333333333 0.55594056483911 158.925 > 19 21 Tb 0.86371202622902 0.91666666666667 0.55594056483911 158.925 > 19 22 Tb 0.88522962461496 0.25000000000000 0.22391198868934 158.925 > 22 23 Tb 0.88522962461496 0.58333333333333 0.22391198868934 158.925 > 22 24 Tb 0.88522962461496 0.91666666666667 0.22391198868934 158.925 > 22 25 Ti 0.17438742753181 0.08333333333333 0.11947845136820 47.867 > 25 26 Ti 0.17438742753181 0.41666666666667 0.11947845136820 47.867 > 25 27 Ti 0.17438742753181 0.75000000000000 0.11947845136820 47.867 > 25 28 Ti 0.32561257246819 0.25000000000000 0.61947845136820 47.867 > 28 29 Ti 0.32561257246819 0.58333333333333 0.61947845136820 47.867 > 28 30 Ti 0.32561257246819 0.91666666666667 0.61947845136820 47.867 > 28 31 Ti 0.67438742753181 0.08333333333333 0.38052154863180 47.867 > 31 32 Ti 0.67438742753181 0.41666666666667 0.38052154863180 47.867 > 31 33 Ti 0.67438742753181 0.75000000000000 0.38052154863180 47.867 > 31 34 Ti 0.82561257246819 0.25000000000000 0.88052154863180 47.867 > 34 35 Ti 0.82561257246819 0.58333333333333 0.88052154863180 47.867 > 34 36 Ti 0.82561257246819 0.91666666666667 0.88052154863180 47.867 > 34 37 O 0.00688488056649 0.25000000000000 0.39543901124018 15.999 > 37 38 O 0.00688488056649 0.58333333333333 0.39543901124018 15.999 > 37 39 O 0.00688488056649 0.91666666666667 0.39543901124018 15.999 > 37 40 O 0.00677976840207 0.08333333333333 0.15484050025214 15.999 > 40 41 O 0.00677976840207 0.41666666666667 0.15484050025214 15.999 > 40 42 O 0.00677976840207 0.75000000000000 0.15484050025214 15.999 > 40 43 O 0.22386389404175 0.08333333333333 0.95709038049131 15.999 > 43 44 O 0.22386389404175 0.41666666666667 0.95709038049131 15.999 > 43 45 O 0.22386389404175 0.75000000000000 0.95709038049131 15.999 > 43 46 O 0.23737521864426 0.25000000000000 0.11676253329261 15.999 > 46 47 O 0.23737521864426 0.58333333333333 0.11676253329261 15.999 > 46 48 O 0.23737521864426 0.91666666666667 0.11676253329261 15.999 > 46 49 O 0.24318945153382 0.25000000000000 0.77071900826746 15.999 > 49 50 O 0.24318945153382 0.58333333333333 0.77071900826746 15.999 > 49 51 O 0.24318945153382 0.91666666666667 0.77071900826746 15.999 > 49 52 O 0.25681054846618 0.08333333333333 0.27071900826746 15.999 > 52 53 O 0.25681054846618 0.41666666666667 0.27071900826746 15.999 > 52 54 O 0.25681054846618 0.75000000000000 0.27071900826746 15.999 > 52 55 O 0.26262478135574 0.08333333333333 0.61676253329261 15.999 > 55 56 O 0.26262478135574 0.41666666666667 0.61676253329261 15.999 > 55 57 O 0.26262478135574 0.75000000000000 0.61676253329261 15.999 > 55 58 O 0.27613610595825 0.25000000000000 0.45709038049131 15.999 > 58 59 O 0.27613610595825 0.58333333333333 0.45709038049131 15.999 > 58 60 O 0.27613610595825 0.91666666666667 0.45709038049131 15.999 > 58 61 O 0.49322023159793 0.25000000000000 0.65484050025214 15.999 > 61 62 O 0.49322023159793 0.58333333333333 0.65484050025214 15.999 > 61 63 O 0.49322023159793 0.91666666666667 0.65484050025214 15.999 > 61 64 O 0.49311511943351 0.08333333333333 0.89543901124018 15.999 > 64 65 O 0.49311511943351 0.41666666666667 0.89543901124018 15.999 > 64 66 O 0.49311511943351 0.75000000000000 0.89543901124018 15.999 > 64 67 O 0.50688488056649 0.25000000000000 0.10456098875982 15.999 > 67 68 O 0.50688488056649 0.58333333333333 0.10456098875982 15.999 > 67 69 O 0.50688488056649 0.91666666666667 0.10456098875982 15.999 > 67 70 O 0.50677976840207 0.08333333333333 0.34515949974786 15.999 > 70 71 O 0.50677976840207 0.41666666666667 0.34515949974786 15.999 > 70 72 O 0.50677976840207 0.75000000000000 0.34515949974786 15.999 > 70 73 O 0.72386389404175 0.08333333333333 0.54290961950869 15.999 > 73 74 O 0.72386389404175 0.41666666666667 0.54290961950869 15.999 > 73 75 O 0.72386389404175 0.75000000000000 0.54290961950869 15.999 > 73 76 O 0.73737521864426 0.25000000000000 0.38323746670739 15.999 > 76 77 O 0.73737521864426 0.58333333333333 0.38323746670739 15.999 > 76 78 O 0.73737521864426 0.91666666666667 0.38323746670739 15.999 > 76 79 O 0.74318945153382 0.25000000000000 0.72928099173254 15.999 > 79 80 O 0.74318945153382 0.58333333333333 0.72928099173254 15.999 > 79 81 O 0.74318945153382 0.91666666666667 0.72928099173254 15.999 > 79 82 O 0.75681054846618 0.08333333333333 0.22928099173254 15.999 > 82 83 O 0.75681054846618 0.41666666666667 0.22928099173254 15.999 > 82 84 O 0.75681054846618 0.75000000000000 0.22928099173254 15.999 > 82 85 O 0.76262478135574 0.08333333333333 0.88323746670739 15.999 > 85 86 O 0.76262478135574 0.41666666666667 0.88323746670739 15.999 > 85 87 O 0.76262478135574 0.75000000000000 0.88323746670739 15.999 > 85 88 O 0.77613610595825 0.25000000000000 0.04290961950869 15.999 > 88 89 O 0.77613610595825 0.58333333333333 0.04290961950869 15.999 > 88 90 O 0.77613610595825 0.91666666666667 0.04290961950869 15.999 > 88 91 O 0.99322023159793 0.25000000000000 0.84515949974786 15.999 > 91 92 O 0.99322023159793 0.58333333333333 0.84515949974786 15.999 > 91 93 O 0.99322023159793 0.91666666666667 0.84515949974786 15.999 > 91 94 O 0.99311511943351 0.08333333333333 0.60456098875982 15.999 > 94 95 O 0.99311511943351 0.41666666666667 0.60456098875982 15.999 > 94 96 O 0.99311511943351 0.75000000000000 0.60456098875982 15.999 > 94 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 4.4494575 0.0000000 0.0000000 0.0000000 4.6462823 0.0000000 0.0000000 0.0000000 4.6104249 -------------------------- Born effective charges -------------------------- 1 Tb 4.3071550 0.0000000 -0.0407052 0.0000000 3.8851400 0.0000000 0.4175012 0.0000000 4.1217707 2 Tb 3.8631346 0.0000000 -0.3185716 0.0000000 3.9182071 0.0000000 0.0614722 0.0000000 3.6775138 3 Tb 3.8631346 0.0000000 0.3185716 0.0000000 3.9182071 0.0000000 -0.0614722 0.0000000 3.6775138 4 Tb 4.3071550 0.0000000 0.0407052 0.0000000 3.8851400 0.0000000 -0.4175012 0.0000000 4.1217707 5 Tb 4.3071550 0.0000000 0.0407052 0.0000000 3.8851400 0.0000000 -0.4175012 0.0000000 4.1217707 6 Tb 3.8631346 0.0000000 0.3185716 0.0000000 3.9182071 0.0000000 -0.0614722 0.0000000 3.6775138 7 Tb 3.8631346 0.0000000 -0.3185716 0.0000000 3.9182071 0.0000000 0.0614722 0.0000000 3.6775138 8 Tb 4.3071550 0.0000000 -0.0407052 0.0000000 3.8851400 0.0000000 0.4175012 0.0000000 4.1217707 9 Ti 3.5702005 0.0000000 -0.1288820 0.0000000 5.1464740 0.0000000 -0.4650194 0.0000000 4.6484200 10 Ti 3.5702005 0.0000000 0.1288820 0.0000000 5.1464740 0.0000000 0.4650194 0.0000000 4.6484200 11 Ti 3.5702005 0.0000000 0.1288820 0.0000000 5.1464740 0.0000000 0.4650194 0.0000000 4.6484200 12 Ti 3.5702005 0.0000000 -0.1288820 0.0000000 5.1464740 0.0000000 -0.4650194 0.0000000 4.6484200 13 O -2.5280216 0.0000000 -0.0816896 0.0000000 -2.3945371 0.0000000 -0.4341872 0.0000000 -2.5483134 14 O -3.5599809 0.0000000 0.8188520 0.0000000 -1.8139823 0.0000000 0.8227042 0.0000000 -1.2877251 15 O -1.8689303 0.0000000 0.0929481 0.0000000 -2.2816599 0.0000000 0.3215082 0.0000000 -3.6950505 16 O -1.5698053 0.0000000 -0.0737542 0.0000000 -4.0311578 0.0000000 0.1029036 0.0000000 -1.8123679 17 O -2.2137520 0.0000000 0.3200896 0.0000000 -2.4284839 0.0000000 0.3841655 0.0000000 -3.1042476 18 O -2.2137520 0.0000000 -0.3200896 0.0000000 -2.4284839 0.0000000 -0.3841655 0.0000000 -3.1042476 19 O -1.5698053 0.0000000 0.0737542 0.0000000 -4.0311578 0.0000000 -0.1029036 0.0000000 -1.8123679 20 O -1.8689303 0.0000000 -0.0929481 0.0000000 -2.2816599 0.0000000 -0.3215082 0.0000000 -3.6950505 21 O -3.5599809 0.0000000 -0.8188520 0.0000000 -1.8139823 0.0000000 -0.8227042 0.0000000 -1.2877251 22 O -2.5280216 0.0000000 0.0816896 0.0000000 -2.3945371 0.0000000 0.4341872 0.0000000 -2.5483134 23 O -2.5280216 0.0000000 0.0816896 0.0000000 -2.3945371 0.0000000 0.4341872 0.0000000 -2.5483134 24 O -3.5599809 0.0000000 -0.8188520 0.0000000 -1.8139823 0.0000000 -0.8227042 0.0000000 -1.2877251 25 O -1.8689303 0.0000000 -0.0929481 0.0000000 -2.2816599 0.0000000 -0.3215082 0.0000000 -3.6950505 26 O -1.5698053 0.0000000 0.0737542 0.0000000 -4.0311578 0.0000000 -0.1029036 0.0000000 -1.8123679 27 O -2.2137520 0.0000000 -0.3200896 0.0000000 -2.4284839 0.0000000 -0.3841655 0.0000000 -3.1042476 28 O -2.2137520 0.0000000 0.3200896 0.0000000 -2.4284839 0.0000000 0.3841655 0.0000000 -3.1042476 29 O -1.5698053 0.0000000 -0.0737542 0.0000000 -4.0311578 0.0000000 0.1029036 0.0000000 -1.8123679 30 O -1.8689303 0.0000000 0.0929481 0.0000000 -2.2816599 0.0000000 0.3215082 0.0000000 -3.6950505 31 O -3.5599809 0.0000000 0.8188520 0.0000000 -1.8139823 0.0000000 0.8227042 0.0000000 -1.2877251 32 O -2.5280216 0.0000000 -0.0816896 0.0000000 -2.3945371 0.0000000 -0.4341872 0.0000000 -2.5483134 ---------------------------------------------------------------------------- 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[ 4, 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[ 25, 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[ 40, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 43, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 46, 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] Expanding fc3. Symmetrizing fc3 by traditional approach (N=3). Symmetrizing fc2 by traditional approach (N=3). Max drift of fc3: 0.00000000 (xxx) 0.00000000 (xxx) 0.00000000 (xxx) fc3 was written into "fc3.hdf5". Max drift of fc2: -0.00000000 (xx) -0.00000000 (xx) fc2 was written into "fc2.hdf5". --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperatures: 0.0 300.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 ----------- None of ph-ph interaction calculation was performed. ----------- Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 22:35:11]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 22:35:12]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: conductivity-RTA HDF5 data compression filter: gzip Crystal structure was read from "phono3py.yaml". Supercell (dim): [1 3 1] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: Pnma (62) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 10.337084060000000 0.000000000000000 0.000000000000000 b 0.000000000000000 3.682265890000000 0.000000000000000 c 0.000000000000000 0.000000000000000 11.224815449999999 Atomic positions (fractional): 1 Tb 0.11477037538504 0.25000000000000 0.77608801131066 158.925 2 Tb 0.13628797377098 0.25000000000000 0.44405943516089 158.925 3 Tb 0.36371202622902 0.75000000000000 0.94405943516089 158.925 4 Tb 0.38522962461496 0.75000000000000 0.27608801131066 158.925 5 Tb 0.61477037538504 0.25000000000000 0.72391198868934 158.925 6 Tb 0.63628797377098 0.25000000000000 0.05594056483911 158.925 7 Tb 0.86371202622902 0.75000000000000 0.55594056483911 158.925 8 Tb 0.88522962461496 0.75000000000000 0.22391198868934 158.925 9 Ti 0.17438742753181 0.25000000000000 0.11947845136820 47.867 10 Ti 0.32561257246819 0.75000000000000 0.61947845136820 47.867 11 Ti 0.67438742753181 0.25000000000000 0.38052154863180 47.867 12 Ti 0.82561257246819 0.75000000000000 0.88052154863180 47.867 13 O 0.00688488056649 0.75000000000000 0.39543901124018 15.999 14 O 0.00677976840207 0.25000000000000 0.15484050025214 15.999 15 O 0.22386389404175 0.25000000000000 0.95709038049131 15.999 16 O 0.23737521864426 0.75000000000000 0.11676253329261 15.999 17 O 0.24318945153382 0.75000000000000 0.77071900826746 15.999 18 O 0.25681054846618 0.25000000000000 0.27071900826746 15.999 19 O 0.26262478135574 0.25000000000000 0.61676253329261 15.999 20 O 0.27613610595825 0.75000000000000 0.45709038049131 15.999 21 O 0.49322023159793 0.75000000000000 0.65484050025214 15.999 22 O 0.49311511943351 0.25000000000000 0.89543901124018 15.999 23 O 0.50688488056649 0.75000000000000 0.10456098875982 15.999 24 O 0.50677976840207 0.25000000000000 0.34515949974786 15.999 25 O 0.72386389404175 0.25000000000000 0.54290961950869 15.999 26 O 0.73737521864426 0.75000000000000 0.38323746670739 15.999 27 O 0.74318945153382 0.75000000000000 0.72928099173254 15.999 28 O 0.75681054846618 0.25000000000000 0.22928099173254 15.999 29 O 0.76262478135574 0.25000000000000 0.88323746670739 15.999 30 O 0.77613610595825 0.75000000000000 0.04290961950869 15.999 31 O 0.99322023159793 0.75000000000000 0.84515949974786 15.999 32 O 0.99311511943351 0.25000000000000 0.60456098875982 15.999 -------------------------------- supercell --------------------------------- Lattice vectors: a 10.337084060000000 0.000000000000000 0.000000000000000 b 0.000000000000000 11.046797670000000 0.000000000000000 c 0.000000000000000 0.000000000000000 11.224815449999999 Atomic positions (fractional): 1 Tb 0.11477037538504 0.08333333333333 0.77608801131066 158.925 > 1 2 Tb 0.11477037538504 0.41666666666667 0.77608801131066 158.925 > 1 3 Tb 0.11477037538504 0.75000000000000 0.77608801131066 158.925 > 1 4 Tb 0.13628797377098 0.08333333333333 0.44405943516089 158.925 > 4 5 Tb 0.13628797377098 0.41666666666667 0.44405943516089 158.925 > 4 6 Tb 0.13628797377098 0.75000000000000 0.44405943516089 158.925 > 4 7 Tb 0.36371202622902 0.25000000000000 0.94405943516089 158.925 > 7 8 Tb 0.36371202622902 0.58333333333333 0.94405943516089 158.925 > 7 9 Tb 0.36371202622902 0.91666666666667 0.94405943516089 158.925 > 7 10 Tb 0.38522962461496 0.25000000000000 0.27608801131066 158.925 > 10 11 Tb 0.38522962461496 0.58333333333333 0.27608801131066 158.925 > 10 12 Tb 0.38522962461496 0.91666666666667 0.27608801131066 158.925 > 10 13 Tb 0.61477037538504 0.08333333333333 0.72391198868934 158.925 > 13 14 Tb 0.61477037538504 0.41666666666667 0.72391198868934 158.925 > 13 15 Tb 0.61477037538504 0.75000000000000 0.72391198868934 158.925 > 13 16 Tb 0.63628797377098 0.08333333333333 0.05594056483911 158.925 > 16 17 Tb 0.63628797377098 0.41666666666667 0.05594056483911 158.925 > 16 18 Tb 0.63628797377098 0.75000000000000 0.05594056483911 158.925 > 16 19 Tb 0.86371202622902 0.25000000000000 0.55594056483911 158.925 > 19 20 Tb 0.86371202622902 0.58333333333333 0.55594056483911 158.925 > 19 21 Tb 0.86371202622902 0.91666666666667 0.55594056483911 158.925 > 19 22 Tb 0.88522962461496 0.25000000000000 0.22391198868934 158.925 > 22 23 Tb 0.88522962461496 0.58333333333333 0.22391198868934 158.925 > 22 24 Tb 0.88522962461496 0.91666666666667 0.22391198868934 158.925 > 22 25 Ti 0.17438742753181 0.08333333333333 0.11947845136820 47.867 > 25 26 Ti 0.17438742753181 0.41666666666667 0.11947845136820 47.867 > 25 27 Ti 0.17438742753181 0.75000000000000 0.11947845136820 47.867 > 25 28 Ti 0.32561257246819 0.25000000000000 0.61947845136820 47.867 > 28 29 Ti 0.32561257246819 0.58333333333333 0.61947845136820 47.867 > 28 30 Ti 0.32561257246819 0.91666666666667 0.61947845136820 47.867 > 28 31 Ti 0.67438742753181 0.08333333333333 0.38052154863180 47.867 > 31 32 Ti 0.67438742753181 0.41666666666667 0.38052154863180 47.867 > 31 33 Ti 0.67438742753181 0.75000000000000 0.38052154863180 47.867 > 31 34 Ti 0.82561257246819 0.25000000000000 0.88052154863180 47.867 > 34 35 Ti 0.82561257246819 0.58333333333333 0.88052154863180 47.867 > 34 36 Ti 0.82561257246819 0.91666666666667 0.88052154863180 47.867 > 34 37 O 0.00688488056649 0.25000000000000 0.39543901124018 15.999 > 37 38 O 0.00688488056649 0.58333333333333 0.39543901124018 15.999 > 37 39 O 0.00688488056649 0.91666666666667 0.39543901124018 15.999 > 37 40 O 0.00677976840207 0.08333333333333 0.15484050025214 15.999 > 40 41 O 0.00677976840207 0.41666666666667 0.15484050025214 15.999 > 40 42 O 0.00677976840207 0.75000000000000 0.15484050025214 15.999 > 40 43 O 0.22386389404175 0.08333333333333 0.95709038049131 15.999 > 43 44 O 0.22386389404175 0.41666666666667 0.95709038049131 15.999 > 43 45 O 0.22386389404175 0.75000000000000 0.95709038049131 15.999 > 43 46 O 0.23737521864426 0.25000000000000 0.11676253329261 15.999 > 46 47 O 0.23737521864426 0.58333333333333 0.11676253329261 15.999 > 46 48 O 0.23737521864426 0.91666666666667 0.11676253329261 15.999 > 46 49 O 0.24318945153382 0.25000000000000 0.77071900826746 15.999 > 49 50 O 0.24318945153382 0.58333333333333 0.77071900826746 15.999 > 49 51 O 0.24318945153382 0.91666666666667 0.77071900826746 15.999 > 49 52 O 0.25681054846618 0.08333333333333 0.27071900826746 15.999 > 52 53 O 0.25681054846618 0.41666666666667 0.27071900826746 15.999 > 52 54 O 0.25681054846618 0.75000000000000 0.27071900826746 15.999 > 52 55 O 0.26262478135574 0.08333333333333 0.61676253329261 15.999 > 55 56 O 0.26262478135574 0.41666666666667 0.61676253329261 15.999 > 55 57 O 0.26262478135574 0.75000000000000 0.61676253329261 15.999 > 55 58 O 0.27613610595825 0.25000000000000 0.45709038049131 15.999 > 58 59 O 0.27613610595825 0.58333333333333 0.45709038049131 15.999 > 58 60 O 0.27613610595825 0.91666666666667 0.45709038049131 15.999 > 58 61 O 0.49322023159793 0.25000000000000 0.65484050025214 15.999 > 61 62 O 0.49322023159793 0.58333333333333 0.65484050025214 15.999 > 61 63 O 0.49322023159793 0.91666666666667 0.65484050025214 15.999 > 61 64 O 0.49311511943351 0.08333333333333 0.89543901124018 15.999 > 64 65 O 0.49311511943351 0.41666666666667 0.89543901124018 15.999 > 64 66 O 0.49311511943351 0.75000000000000 0.89543901124018 15.999 > 64 67 O 0.50688488056649 0.25000000000000 0.10456098875982 15.999 > 67 68 O 0.50688488056649 0.58333333333333 0.10456098875982 15.999 > 67 69 O 0.50688488056649 0.91666666666667 0.10456098875982 15.999 > 67 70 O 0.50677976840207 0.08333333333333 0.34515949974786 15.999 > 70 71 O 0.50677976840207 0.41666666666667 0.34515949974786 15.999 > 70 72 O 0.50677976840207 0.75000000000000 0.34515949974786 15.999 > 70 73 O 0.72386389404175 0.08333333333333 0.54290961950869 15.999 > 73 74 O 0.72386389404175 0.41666666666667 0.54290961950869 15.999 > 73 75 O 0.72386389404175 0.75000000000000 0.54290961950869 15.999 > 73 76 O 0.73737521864426 0.25000000000000 0.38323746670739 15.999 > 76 77 O 0.73737521864426 0.58333333333333 0.38323746670739 15.999 > 76 78 O 0.73737521864426 0.91666666666667 0.38323746670739 15.999 > 76 79 O 0.74318945153382 0.25000000000000 0.72928099173254 15.999 > 79 80 O 0.74318945153382 0.58333333333333 0.72928099173254 15.999 > 79 81 O 0.74318945153382 0.91666666666667 0.72928099173254 15.999 > 79 82 O 0.75681054846618 0.08333333333333 0.22928099173254 15.999 > 82 83 O 0.75681054846618 0.41666666666667 0.22928099173254 15.999 > 82 84 O 0.75681054846618 0.75000000000000 0.22928099173254 15.999 > 82 85 O 0.76262478135574 0.08333333333333 0.88323746670739 15.999 > 85 86 O 0.76262478135574 0.41666666666667 0.88323746670739 15.999 > 85 87 O 0.76262478135574 0.75000000000000 0.88323746670739 15.999 > 85 88 O 0.77613610595825 0.25000000000000 0.04290961950869 15.999 > 88 89 O 0.77613610595825 0.58333333333333 0.04290961950869 15.999 > 88 90 O 0.77613610595825 0.91666666666667 0.04290961950869 15.999 > 88 91 O 0.99322023159793 0.25000000000000 0.84515949974786 15.999 > 91 92 O 0.99322023159793 0.58333333333333 0.84515949974786 15.999 > 91 93 O 0.99322023159793 0.91666666666667 0.84515949974786 15.999 > 91 94 O 0.99311511943351 0.08333333333333 0.60456098875982 15.999 > 94 95 O 0.99311511943351 0.41666666666667 0.60456098875982 15.999 > 94 96 O 0.99311511943351 0.75000000000000 0.60456098875982 15.999 > 94 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 4.4494575 0.0000000 0.0000000 0.0000000 4.6462823 0.0000000 0.0000000 0.0000000 4.6104249 -------------------------- Born effective charges -------------------------- 1 Tb 4.3071550 0.0000000 -0.0407052 0.0000000 3.8851400 0.0000000 0.4175012 0.0000000 4.1217707 2 Tb 3.8631346 0.0000000 -0.3185716 0.0000000 3.9182071 0.0000000 0.0614722 0.0000000 3.6775138 3 Tb 3.8631346 0.0000000 0.3185716 0.0000000 3.9182071 0.0000000 -0.0614722 0.0000000 3.6775138 4 Tb 4.3071550 0.0000000 0.0407052 0.0000000 3.8851400 0.0000000 -0.4175012 0.0000000 4.1217707 5 Tb 4.3071550 0.0000000 0.0407052 0.0000000 3.8851400 0.0000000 -0.4175012 0.0000000 4.1217707 6 Tb 3.8631346 0.0000000 0.3185716 0.0000000 3.9182071 0.0000000 -0.0614722 0.0000000 3.6775138 7 Tb 3.8631346 0.0000000 -0.3185716 0.0000000 3.9182071 0.0000000 0.0614722 0.0000000 3.6775138 8 Tb 4.3071550 0.0000000 -0.0407052 0.0000000 3.8851400 0.0000000 0.4175012 0.0000000 4.1217707 9 Ti 3.5702005 0.0000000 -0.1288820 0.0000000 5.1464740 0.0000000 -0.4650194 0.0000000 4.6484200 10 Ti 3.5702005 0.0000000 0.1288820 0.0000000 5.1464740 0.0000000 0.4650194 0.0000000 4.6484200 11 Ti 3.5702005 0.0000000 0.1288820 0.0000000 5.1464740 0.0000000 0.4650194 0.0000000 4.6484200 12 Ti 3.5702005 0.0000000 -0.1288820 0.0000000 5.1464740 0.0000000 -0.4650194 0.0000000 4.6484200 13 O -2.5280216 0.0000000 -0.0816896 0.0000000 -2.3945371 0.0000000 -0.4341872 0.0000000 -2.5483134 14 O -3.5599809 0.0000000 0.8188520 0.0000000 -1.8139823 0.0000000 0.8227042 0.0000000 -1.2877251 15 O -1.8689303 0.0000000 0.0929481 0.0000000 -2.2816599 0.0000000 0.3215082 0.0000000 -3.6950505 16 O -1.5698053 0.0000000 -0.0737542 0.0000000 -4.0311578 0.0000000 0.1029036 0.0000000 -1.8123679 17 O -2.2137520 0.0000000 0.3200896 0.0000000 -2.4284839 0.0000000 0.3841655 0.0000000 -3.1042476 18 O -2.2137520 0.0000000 -0.3200896 0.0000000 -2.4284839 0.0000000 -0.3841655 0.0000000 -3.1042476 19 O -1.5698053 0.0000000 0.0737542 0.0000000 -4.0311578 0.0000000 -0.1029036 0.0000000 -1.8123679 20 O -1.8689303 0.0000000 -0.0929481 0.0000000 -2.2816599 0.0000000 -0.3215082 0.0000000 -3.6950505 21 O -3.5599809 0.0000000 -0.8188520 0.0000000 -1.8139823 0.0000000 -0.8227042 0.0000000 -1.2877251 22 O -2.5280216 0.0000000 0.0816896 0.0000000 -2.3945371 0.0000000 0.4341872 0.0000000 -2.5483134 23 O -2.5280216 0.0000000 0.0816896 0.0000000 -2.3945371 0.0000000 0.4341872 0.0000000 -2.5483134 24 O -3.5599809 0.0000000 -0.8188520 0.0000000 -1.8139823 0.0000000 -0.8227042 0.0000000 -1.2877251 25 O -1.8689303 0.0000000 -0.0929481 0.0000000 -2.2816599 0.0000000 -0.3215082 0.0000000 -3.6950505 26 O -1.5698053 0.0000000 0.0737542 0.0000000 -4.0311578 0.0000000 -0.1029036 0.0000000 -1.8123679 27 O -2.2137520 0.0000000 -0.3200896 0.0000000 -2.4284839 0.0000000 -0.3841655 0.0000000 -3.1042476 28 O -2.2137520 0.0000000 0.3200896 0.0000000 -2.4284839 0.0000000 0.3841655 0.0000000 -3.1042476 29 O -1.5698053 0.0000000 -0.0737542 0.0000000 -4.0311578 0.0000000 0.1029036 0.0000000 -1.8123679 30 O -1.8689303 0.0000000 0.0929481 0.0000000 -2.2816599 0.0000000 0.3215082 0.0000000 -3.6950505 31 O -3.5599809 0.0000000 0.8188520 0.0000000 -1.8139823 0.0000000 0.8227042 0.0000000 -1.2877251 32 O -2.5280216 0.0000000 -0.0816896 0.0000000 -2.3945371 0.0000000 -0.4341872 0.0000000 -2.5483134 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: 0.00000000 (xxx) 0.00000000 (xxx) 0.00000000 (xxx) Max drift of fc2: 0.00000000 (xx) 0.00000000 (xx) --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperature: 0.0 10.0 20.0 30.0 40.0 ... 1000.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 Length for sampling mesh generation: 50.00 Generating grid system ... [ 5 14 4 ] 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: 0.55, Number of G-points: 283, Lambda: 0.12 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/72) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.86e-04 2.86e-04 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 72 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 2.184 ( 0.000 0.000 0.000) 0.000 2.322 ( 0.000 0.000 0.000) 0.000 2.326 ( 0.000 0.000 0.000) 0.000 2.484 ( 0.000 0.000 0.000) 0.000 2.488 ( 0.000 0.000 0.000) 0.000 2.580 ( 0.000 0.000 0.000) 0.000 2.617 ( 0.000 0.000 0.000) 0.000 3.036 ( 0.000 0.000 0.000) 0.000 3.040 ( 0.000 0.000 0.000) 0.000 3.178 ( 0.000 0.000 0.000) 0.000 3.205 ( 0.000 0.000 0.000) 0.000 3.231 ( 0.000 0.000 0.000) 0.000 3.328 ( 0.000 0.000 0.000) 0.000 3.401 ( 0.000 0.000 0.000) 0.000 3.505 ( 0.000 0.000 0.000) 0.000 3.774 ( 0.000 0.000 0.000) 0.000 4.182 ( 0.000 0.000 0.000) 0.000 4.270 ( 0.000 0.000 0.000) 0.000 4.768 ( 0.000 0.000 0.000) 0.000 4.812 ( 0.000 0.000 0.000) 0.000 4.844 ( 0.000 0.000 0.000) 0.000 4.881 ( 0.000 0.000 0.000) 0.000 5.087 ( 0.000 0.000 0.000) 0.000 5.130 ( 0.000 0.000 0.000) 0.000 5.209 ( 0.000 0.000 0.000) 0.000 5.729 ( 0.000 0.000 0.000) 0.000 5.803 ( 0.000 0.000 0.000) 0.000 6.069 ( 0.000 0.000 0.000) 0.000 6.456 ( 0.000 0.000 0.000) 0.000 6.844 ( 0.000 0.000 0.000) 0.000 7.068 ( 0.000 0.000 0.000) 0.000 7.193 ( 0.000 0.000 0.000) 0.000 7.262 ( 0.000 0.000 0.000) 0.000 7.450 ( 0.000 0.000 0.000) 0.000 7.485 ( 0.000 0.000 0.000) 0.000 7.959 ( 0.000 0.000 0.000) 0.000 8.042 ( 0.000 0.000 0.000) 0.000 8.102 ( 0.000 0.000 0.000) 0.000 8.204 ( 0.000 0.000 0.000) 0.000 8.207 ( 0.000 0.000 0.000) 0.000 8.563 ( 0.000 0.000 0.000) 0.000 8.800 ( 0.000 0.000 0.000) 0.000 8.844 ( 0.000 0.000 0.000) 0.000 9.016 ( 0.000 0.000 0.000) 0.000 9.270 ( 0.000 0.000 0.000) 0.000 9.444 ( 0.000 0.000 0.000) 0.000 9.463 ( 0.000 0.000 0.000) 0.000 9.482 ( 0.000 0.000 0.000) 0.000 9.778 ( 0.000 0.000 0.000) 0.000 9.859 ( 0.000 0.000 0.000) 0.000 10.027 ( 0.000 0.000 0.000) 0.000 10.124 ( 0.000 0.000 0.000) 0.000 10.601 ( 0.000 0.000 0.000) 0.000 10.841 ( 0.000 0.000 0.000) 0.000 11.011 ( 0.000 0.000 0.000) 0.000 11.314 ( 0.000 0.000 0.000) 0.000 11.340 ( 0.000 0.000 0.000) 0.000 11.472 ( 0.000 0.000 0.000) 0.000 11.667 ( 0.000 0.000 0.000) 0.000 11.798 ( 0.000 0.000 0.000) 0.000 11.845 ( 0.000 0.000 0.000) 0.000 12.042 ( 0.000 0.000 0.000) 0.000 12.884 ( 0.000 0.000 0.000) 0.000 12.996 ( 0.000 0.000 0.000) 0.000 13.304 ( 0.000 0.000 0.000) 0.000 13.451 ( 0.000 0.000 0.000) 0.000 13.483 ( 0.000 0.000 0.000) 0.000 13.853 ( 0.000 0.000 0.000) 0.000 13.878 ( 0.000 0.000 0.000) 0.000 13.905 ( 0.000 0.000 0.000) 0.000 13.940 ( 0.000 0.000 0.000) 0.000 14.320 ( 0.000 0.000 0.000) 0.000 14.620 ( 0.000 0.000 0.000) 0.000 15.133 ( 0.000 0.000 0.000) 0.000 15.216 ( 0.000 0.000 0.000) 0.000 15.248 ( 0.000 0.000 0.000) 0.000 16.158 ( 0.000 0.000 0.000) 0.000 17.044 ( 0.000 0.000 0.000) 0.000 17.064 ( 0.000 0.000 0.000) 0.000 18.071 ( 0.000 0.000 0.000) 0.000 18.072 ( 0.000 0.000 0.000) 0.000 18.223 ( 0.000 0.000 0.000) 0.000 18.235 ( 0.000 0.000 0.000) 0.000 18.629 ( 0.000 0.000 0.000) 0.000 19.764 ( 0.000 0.000 0.000) 0.000 19.996 ( 0.000 0.000 0.000) 0.000 20.653 ( 0.000 0.000 0.000) 0.000 21.098 ( 0.000 0.000 0.000) 0.000 21.169 ( 0.000 0.000 0.000) 0.000 23.732 ( 0.000 0.000 0.000) 0.000 24.491 ( 0.000 0.000 0.000) 0.000 24.838 ( 0.000 0.000 0.000) 0.000 25.508 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/72) ======================= q-point: ( 0.20 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.86e-04 2.86e-04 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.553 ( 28.895 0.000 0.000) 28.895 0.612 ( 31.329 0.000 0.000) 31.329 0.981 ( 50.780 0.000 0.000) 50.780 2.108 ( -15.879 0.000 0.000) 15.879 2.198 ( -19.581 0.000 0.000) 19.581 2.304 ( -1.188 0.000 0.000) 1.188 2.308 ( 6.642 0.000 0.000) 6.642 2.569 ( -3.947 0.000 0.000) 3.947 2.617 ( 3.646 0.000 0.000) 3.646 2.627 ( 5.604 0.000 0.000) 5.604 2.865 ( -14.528 0.000 0.000) 14.528 2.989 ( -4.518 0.000 0.000) 4.518 3.044 ( -7.723 0.000 0.000) 7.723 3.283 ( 7.575 0.000 0.000) 7.575 3.318 ( 5.539 0.000 0.000) 5.539 3.372 ( 3.397 0.000 0.000) 3.397 3.446 ( -7.405 0.000 0.000) 7.405 3.648 ( 14.350 0.000 0.000) 14.350 3.871 ( 4.575 0.000 0.000) 4.575 4.125 ( -16.710 0.000 0.000) 16.710 4.275 ( 7.575 0.000 0.000) 7.575 4.486 ( -7.187 0.000 0.000) 7.187 4.843 ( 3.220 0.000 0.000) 3.220 4.887 ( 4.128 0.000 0.000) 4.128 5.072 ( 4.440 0.000 0.000) 4.440 5.085 ( -1.972 0.000 0.000) 1.972 5.102 ( -2.792 0.000 0.000) 2.792 5.179 ( -3.009 0.000 0.000) 3.009 5.692 ( -0.297 0.000 0.000) 0.297 6.016 ( -5.268 0.000 0.000) 5.268 6.045 ( 8.193 0.000 0.000) 8.193 6.389 ( -5.477 0.000 0.000) 5.477 6.944 ( 9.495 0.000 0.000) 9.495 7.192 ( 0.707 0.000 0.000) 0.707 7.299 ( 1.811 0.000 0.000) 1.811 7.500 ( 3.780 0.000 0.000) 3.780 7.570 ( 10.498 0.000 0.000) 10.498 7.722 ( -14.434 0.000 0.000) 14.434 8.013 ( 4.788 0.000 0.000) 4.788 8.054 ( -2.008 0.000 0.000) 2.008 8.111 ( 0.966 0.000 0.000) 0.966 8.193 ( -1.040 0.000 0.000) 1.040 8.427 ( 13.104 0.000 0.000) 13.104 8.472 ( -8.081 0.000 0.000) 8.081 8.865 ( 6.492 0.000 0.000) 6.492 9.051 ( 3.543 0.000 0.000) 3.543 9.283 ( 1.032 0.000 0.000) 1.032 9.408 ( -3.182 0.000 0.000) 3.182 9.448 ( -3.836 0.000 0.000) 3.836 9.519 ( 2.771 0.000 0.000) 2.771 9.640 ( -13.650 0.000 0.000) 13.650 9.729 ( -15.219 0.000 0.000) 15.219 9.743 ( -0.247 0.000 0.000) 0.247 10.234 ( 12.925 0.000 0.000) 12.925 10.283 ( 1.135 0.000 0.000) 1.135 10.622 ( -6.297 0.000 0.000) 6.297 10.781 ( -5.317 0.000 0.000) 5.317 11.062 ( 4.274 0.000 0.000) 4.274 11.294 ( -2.057 0.000 0.000) 2.057 11.328 ( -14.293 0.000 0.000) 14.293 11.438 ( 7.973 0.000 0.000) 7.973 11.633 ( 2.153 0.000 0.000) 2.153 11.854 ( 0.042 0.000 0.000) 0.042 11.868 ( 0.173 0.000 0.000) 0.173 12.895 ( 1.119 0.000 0.000) 1.119 12.986 ( -1.033 0.000 0.000) 1.033 13.114 ( -0.168 0.000 0.000) 0.168 13.249 ( -3.222 0.000 0.000) 3.222 13.475 ( 1.696 0.000 0.000) 1.696 13.492 ( 0.607 0.000 0.000) 0.607 13.909 ( 0.337 0.000 0.000) 0.337 13.923 ( 6.385 0.000 0.000) 6.385 13.937 ( -0.334 0.000 0.000) 0.334 13.978 ( 7.157 0.000 0.000) 7.157 14.419 ( 10.716 0.000 0.000) 10.716 14.977 ( -1.721 0.000 0.000) 1.721 15.146 ( 1.342 0.000 0.000) 1.342 15.218 ( 0.484 0.000 0.000) 0.484 15.263 ( 1.441 0.000 0.000) 1.441 16.016 ( -15.023 0.000 0.000) 15.023 17.053 ( 0.583 0.000 0.000) 0.583 17.059 ( -0.407 0.000 0.000) 0.407 18.071 ( -0.001 0.000 0.000) 0.001 18.072 ( -0.014 0.000 0.000) 0.014 18.224 ( 0.124 0.000 0.000) 0.124 18.234 ( -0.106 0.000 0.000) 0.106 19.805 ( 4.018 0.000 0.000) 4.018 20.022 ( 0.780 0.000 0.000) 0.780 20.029 ( 3.883 0.000 0.000) 3.883 20.617 ( -4.437 0.000 0.000) 4.437 20.987 ( -9.250 0.000 0.000) 9.250 21.190 ( -12.292 0.000 0.000) 12.292 23.900 ( 15.331 0.000 0.000) 15.331 24.754 ( -8.041 0.000 0.000) 8.041 25.612 ( 9.422 0.000 0.000) 9.422 26.105 ( -3.763 0.000 0.000) 3.763 ======================= Grid point 2 (3/72) ======================= q-point: ( 0.40 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.86e-04 2.86e-04 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.114 ( 28.667 0.000 0.000) 28.667 1.205 ( 29.672 0.000 0.000) 29.672 1.613 ( -16.819 0.000 0.000) 16.819 1.749 ( -26.182 0.000 0.000) 26.182 2.002 ( 32.641 0.000 0.000) 32.641 2.291 ( -1.013 0.000 0.000) 1.013 2.437 ( 6.180 0.000 0.000) 6.180 2.506 ( -2.073 0.000 0.000) 2.073 2.648 ( -3.433 0.000 0.000) 3.433 2.710 ( 5.281 0.000 0.000) 5.281 2.728 ( 4.485 0.000 0.000) 4.485 2.884 ( -5.145 0.000 0.000) 5.145 2.902 ( -6.307 0.000 0.000) 6.307 3.063 ( -33.334 0.000 0.000) 33.334 3.400 ( 2.759 0.000 0.000) 2.759 3.419 ( 0.901 0.000 0.000) 0.901 3.450 ( 9.290 0.000 0.000) 9.290 3.655 ( -13.453 0.000 0.000) 13.453 3.902 ( 11.125 0.000 0.000) 11.125 4.037 ( -1.732 0.000 0.000) 1.732 4.471 ( 9.323 0.000 0.000) 9.323 4.501 ( 4.419 0.000 0.000) 4.419 4.928 ( 5.128 0.000 0.000) 5.128 4.988 ( 5.835 0.000 0.000) 5.835 4.998 ( -4.453 0.000 0.000) 4.453 5.027 ( -4.791 0.000 0.000) 4.791 5.031 ( -6.141 0.000 0.000) 6.141 5.098 ( -5.223 0.000 0.000) 5.223 5.755 ( 5.891 0.000 0.000) 5.891 5.887 ( -7.306 0.000 0.000) 7.306 6.192 ( 6.348 0.000 0.000) 6.348 6.291 ( -4.511 0.000 0.000) 4.511 7.150 ( 9.547 0.000 0.000) 9.547 7.246 ( 6.153 0.000 0.000) 6.153 7.268 ( -4.104 0.000 0.000) 4.104 7.452 ( -13.048 0.000 0.000) 13.048 7.700 ( 15.280 0.000 0.000) 15.280 7.788 ( 10.709 0.000 0.000) 10.709 7.970 ( -6.712 0.000 0.000) 6.712 8.001 ( -10.729 0.000 0.000) 10.729 8.136 ( 1.532 0.000 0.000) 1.532 8.167 ( -1.548 0.000 0.000) 1.548 8.418 ( 7.340 0.000 0.000) 7.340 8.569 ( -1.518 0.000 0.000) 1.518 9.039 ( 10.995 0.000 0.000) 10.995 9.141 ( 4.957 0.000 0.000) 4.957 9.263 ( -4.212 0.000 0.000) 4.212 9.291 ( -11.603 0.000 0.000) 11.603 9.379 ( 1.770 0.000 0.000) 1.770 9.450 ( -5.457 0.000 0.000) 5.457 9.456 ( -7.968 0.000 0.000) 7.968 9.463 ( -5.506 0.000 0.000) 5.506 9.894 ( 13.459 0.000 0.000) 13.459 10.170 ( -13.021 0.000 0.000) 13.021 10.466 ( 10.859 0.000 0.000) 10.859 10.650 ( -8.153 0.000 0.000) 8.153 10.685 ( 13.126 0.000 0.000) 13.126 11.006 ( -17.902 0.000 0.000) 17.902 11.152 ( 4.740 0.000 0.000) 4.740 11.236 ( -3.788 0.000 0.000) 3.788 11.597 ( 8.132 0.000 0.000) 8.132 11.700 ( 2.134 0.000 0.000) 2.134 11.788 ( -5.078 0.000 0.000) 5.078 11.819 ( -3.547 0.000 0.000) 3.547 12.924 ( 1.765 0.000 0.000) 1.765 12.959 ( -1.713 0.000 0.000) 1.713 13.143 ( 2.896 0.000 0.000) 2.896 13.201 ( -2.546 0.000 0.000) 2.546 13.499 ( 0.658 0.000 0.000) 0.658 13.501 ( 0.271 0.000 0.000) 0.271 13.918 ( 0.544 0.000 0.000) 0.544 13.928 ( -0.542 0.000 0.000) 0.542 14.046 ( 4.850 0.000 0.000) 4.850 14.074 ( 2.100 0.000 0.000) 2.100 14.699 ( 15.353 0.000 0.000) 15.353 14.909 ( -6.117 0.000 0.000) 6.117 15.181 ( 2.144 0.000 0.000) 2.144 15.218 ( -1.135 0.000 0.000) 1.135 15.347 ( 9.357 0.000 0.000) 9.357 15.652 ( -20.224 0.000 0.000) 20.224 17.054 ( -0.033 0.000 0.000) 0.033 17.057 ( -0.181 0.000 0.000) 0.181 18.071 ( 0.007 0.000 0.000) 0.007 18.071 ( -0.016 0.000 0.000) 0.016 18.227 ( 0.191 0.000 0.000) 0.191 18.231 ( -0.180 0.000 0.000) 0.180 19.906 ( 5.804 0.000 0.000) 5.804 20.000 ( -3.212 0.000 0.000) 3.212 20.179 ( 11.352 0.000 0.000) 11.352 20.438 ( -13.585 0.000 0.000) 13.585 20.871 ( -0.637 0.000 0.000) 0.637 20.960 ( -9.326 0.000 0.000) 9.326 24.236 ( 17.650 0.000 0.000) 17.650 24.543 ( -13.593 0.000 0.000) 13.593 25.816 ( 10.554 0.000 0.000) 10.554 25.995 ( -7.592 0.000 0.000) 7.592 ======================= Grid point 5 (4/72) ======================= q-point: ( 0.00 0.07 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.86e-04 2.86e-04 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 63 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.633 ( 0.000 32.507 0.000) 32.507 0.718 ( 0.000 36.108 0.000) 36.108 1.130 ( 0.000 56.219 0.000) 56.219 2.274 ( 0.000 -1.761 0.000) 1.761 2.278 ( 0.000 9.299 0.000) 9.299 2.383 ( 0.000 5.721 0.000) 5.721 2.584 ( 0.000 7.358 0.000) 7.358 2.605 ( 0.000 1.418 0.000) 1.418 2.620 ( 0.000 8.695 0.000) 8.695 2.672 ( 0.000 9.766 0.000) 9.766 3.072 ( 0.000 3.697 0.000) 3.697 3.101 ( 0.000 -2.852 0.000) 2.852 3.123 ( 0.000 8.223 0.000) 8.223 3.209 ( 0.000 -8.232 0.000) 8.232 3.256 ( 0.000 7.402 0.000) 7.402 3.427 ( 0.000 11.909 0.000) 11.909 3.441 ( 0.000 4.854 0.000) 4.854 3.609 ( 0.000 8.158 0.000) 8.158 3.828 ( 0.000 5.687 0.000) 5.687 4.142 ( 0.000 -9.398 0.000) 9.398 4.244 ( 0.000 6.471 0.000) 6.471 4.650 ( 0.000 -0.985 0.000) 0.985 4.890 ( 0.000 1.786 0.000) 1.786 5.080 ( 0.000 -0.718 0.000) 0.718 5.134 ( 0.000 25.472 0.000) 25.472 5.291 ( 0.000 31.356 0.000) 31.356 5.388 ( 0.000 23.873 0.000) 23.873 5.498 ( 0.000 27.309 0.000) 27.309 5.763 ( 0.000 3.642 0.000) 3.642 5.800 ( 0.000 -0.205 0.000) 0.205 6.105 ( 0.000 4.456 0.000) 4.456 6.439 ( 0.000 -0.636 0.000) 0.636 6.852 ( 0.000 0.799 0.000) 0.799 7.064 ( 0.000 -0.357 0.000) 0.357 7.233 ( 0.000 4.120 0.000) 4.120 7.263 ( 0.000 -0.282 0.000) 0.282 7.504 ( 0.000 5.705 0.000) 5.705 7.518 ( 0.000 3.861 0.000) 3.861 7.875 ( 0.000 -6.335 0.000) 6.335 8.022 ( 0.000 -1.295 0.000) 1.295 8.173 ( 0.000 -3.566 0.000) 3.566 8.289 ( 0.000 5.413 0.000) 5.413 8.640 ( 0.000 8.648 0.000) 8.648 8.743 ( 0.000 -6.921 0.000) 6.921 8.904 ( 0.000 7.246 0.000) 7.246 8.964 ( 0.000 14.064 0.000) 14.064 9.105 ( 0.000 6.088 0.000) 6.088 9.220 ( 0.000 -11.505 0.000) 11.505 9.322 ( 0.000 5.255 0.000) 5.255 9.513 ( 0.000 1.183 0.000) 1.183 9.693 ( 0.000 15.418 0.000) 15.418 9.861 ( 0.000 -0.284 0.000) 0.284 9.899 ( 0.000 9.746 0.000) 9.746 10.217 ( 0.000 8.671 0.000) 8.671 10.554 ( 0.000 -2.648 0.000) 2.648 10.765 ( 0.000 -5.306 0.000) 5.306 10.937 ( 0.000 -6.171 0.000) 6.171 11.331 ( 0.000 -1.198 0.000) 1.198 11.411 ( 0.000 9.165 0.000) 9.165 11.466 ( 0.000 -0.905 0.000) 0.905 11.658 ( 0.000 -2.016 0.000) 2.016 11.877 ( 0.000 3.308 0.000) 3.308 11.952 ( 0.000 13.635 0.000) 13.635 12.010 ( 0.000 -3.580 0.000) 3.580 12.634 ( 0.000 -21.765 0.000) 21.765 12.744 ( 0.000 -18.153 0.000) 18.153 12.982 ( 0.000 -30.094 0.000) 30.094 13.110 ( 0.000 -29.407 0.000) 29.407 13.413 ( 0.000 5.008 0.000) 5.008 13.696 ( 0.000 4.051 0.000) 4.051 13.831 ( 0.000 -3.481 0.000) 3.481 13.846 ( 0.000 0.445 0.000) 0.445 14.186 ( 0.000 15.420 0.000) 15.420 14.380 ( 0.000 5.828 0.000) 5.828 14.833 ( 0.000 18.640 0.000) 18.640 15.143 ( 0.000 0.725 0.000) 0.725 15.251 ( 0.000 0.260 0.000) 0.260 15.308 ( 0.000 8.956 0.000) 8.956 15.812 ( 0.000 -0.429 0.000) 0.429 16.118 ( 0.000 -3.965 0.000) 3.965 17.110 ( 0.000 6.633 0.000) 6.633 17.118 ( 0.000 5.559 0.000) 5.559 17.784 ( 0.000 -28.477 0.000) 28.477 17.883 ( 0.000 -29.334 0.000) 29.334 17.900 ( 0.000 -16.489 0.000) 16.489 19.035 ( 0.000 24.493 0.000) 24.493 19.728 ( 0.000 -24.026 0.000) 24.026 20.022 ( 0.000 17.679 0.000) 17.679 20.842 ( 0.000 18.093 0.000) 18.093 21.134 ( 0.000 5.624 0.000) 5.624 21.233 ( 0.000 6.705 0.000) 6.705 21.245 ( 0.000 12.332 0.000) 12.332 23.743 ( 0.000 1.028 0.000) 1.028 24.420 ( 0.000 -6.962 0.000) 6.962 24.757 ( 0.000 -8.076 0.000) 8.076 25.395 ( 0.000 -11.311 0.000) 11.311 ======================= Grid point 6 (5/72) ======================= q-point: ( 0.20 0.07 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.86e-04 2.86e-04 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 105 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.843 ( 20.992 21.161 0.000) 29.806 0.900 ( 17.125 28.214 0.000) 33.005 1.483 ( 30.243 41.346 0.000) 51.226 2.192 ( -15.923 8.085 0.000) 17.858 2.227 ( -9.264 1.552 0.000) 9.393 2.351 ( 5.697 5.609 0.000) 7.994 2.377 ( -9.235 8.199 0.000) 12.349 2.616 ( -3.916 5.700 0.000) 6.915 2.646 ( 3.936 1.836 0.000) 4.343 2.736 ( 5.011 9.754 0.000) 10.966 2.867 ( -12.021 2.329 0.000) 12.245 2.999 ( -7.925 -0.054 0.000) 7.925 3.136 ( -3.781 8.990 0.000) 9.753 3.309 ( 5.323 4.129 0.000) 6.737 3.328 ( 5.233 1.405 0.000) 5.418 3.397 ( 4.535 6.853 0.000) 8.218 3.564 ( -4.174 8.208 0.000) 9.208 3.661 ( 12.028 1.972 0.000) 12.189 3.910 ( 3.339 3.910 0.000) 5.142 4.020 ( -11.917 -6.785 0.000) 13.713 4.308 ( 6.479 4.965 0.000) 8.162 4.508 ( -7.987 2.952 0.000) 8.515 4.904 ( 2.368 1.620 0.000) 2.869 5.069 ( -2.209 -0.716 0.000) 2.322 5.165 ( 3.044 26.023 0.000) 26.201 5.372 ( -1.135 25.270 0.000) 25.296 5.381 ( 5.107 28.630 0.000) 29.082 5.487 ( -1.464 28.521 0.000) 28.559 5.705 ( -0.427 2.060 0.000) 2.104 5.992 ( 10.783 -2.744 0.000) 11.127 6.050 ( -5.638 4.189 0.000) 7.024 6.366 ( -6.182 -1.527 0.000) 6.368 6.937 ( 7.958 -0.407 0.000) 7.969 7.178 ( 4.484 -9.230 0.000) 10.261 7.230 ( 0.471 3.936 0.000) 3.964 7.375 ( 8.683 -6.424 0.000) 10.802 7.544 ( 4.485 4.686 0.000) 6.486 7.605 ( 8.630 4.031 0.000) 9.525 7.899 ( -7.428 -0.380 0.000) 7.438 7.909 ( 3.072 -6.937 0.000) 7.587 8.186 ( -1.102 -3.587 0.000) 3.753 8.283 ( -2.210 3.909 0.000) 4.491 8.575 ( -3.547 11.431 0.000) 11.968 8.750 ( 3.406 8.819 0.000) 9.453 8.991 ( 4.101 -3.329 0.000) 5.282 9.029 ( 6.192 13.944 0.000) 15.257 9.192 ( -2.863 -11.202 0.000) 11.563 9.248 ( 11.156 -4.398 0.000) 11.992 9.313 ( -0.111 3.219 0.000) 3.220 9.486 ( -2.337 2.989 0.000) 3.794 9.794 ( -10.130 1.506 0.000) 10.242 9.803 ( 5.099 19.703 0.000) 20.352 9.825 ( -2.049 7.419 0.000) 7.697 10.118 ( -5.133 9.781 0.000) 11.046 10.527 ( -0.187 -1.645 0.000) 1.656 10.714 ( -3.945 -4.586 0.000) 6.050 10.961 ( 1.613 -8.228 0.000) 8.384 11.230 ( -6.489 -2.037 0.000) 6.801 11.343 ( -11.947 0.302 0.000) 11.950 11.448 ( -14.056 14.820 0.000) 20.426 11.654 ( -7.886 10.447 0.000) 13.089 11.683 ( 4.122 2.253 0.000) 4.698 11.975 ( 0.474 9.954 0.000) 9.966 11.986 ( 0.362 11.719 0.000) 11.725 12.638 ( 0.421 -22.260 0.000) 22.264 12.709 ( -2.795 -19.877 0.000) 20.072 13.043 ( 4.568 -30.274 0.000) 30.617 13.109 ( -0.002 -29.151 0.000) 29.151 13.365 ( -2.967 4.367 0.000) 5.280 13.572 ( -16.216 20.953 0.000) 26.495 13.816 ( 1.505 -3.846 0.000) 4.130 13.904 ( 4.050 -3.513 0.000) 5.361 14.211 ( 2.821 15.404 0.000) 15.660 14.505 ( 13.093 7.791 0.000) 15.236 14.513 ( -20.489 33.838 0.000) 39.558 15.160 ( 1.200 2.653 0.000) 2.912 15.247 ( -0.442 0.923 0.000) 1.023 15.321 ( 1.377 7.682 0.000) 7.804 15.334 ( -16.937 25.179 0.000) 30.345 15.985 ( -14.274 -3.149 0.000) 14.617 17.108 ( 0.180 5.864 0.000) 5.867 17.114 ( -0.372 5.571 0.000) 5.583 17.790 ( 0.548 -28.073 0.000) 28.078 17.851 ( -1.725 -25.978 0.000) 26.035 17.940 ( 2.596 -18.966 0.000) 19.143 18.341 ( -25.929 13.077 0.000) 29.040 19.970 ( 11.907 -5.091 0.000) 12.949 20.065 ( 4.369 17.540 0.000) 18.076 20.600 ( -17.301 38.721 0.000) 42.410 20.798 ( -6.038 17.040 0.000) 18.078 21.035 ( -7.469 7.410 0.000) 10.521 21.259 ( -10.570 7.943 0.000) 13.222 23.850 ( 14.075 -4.066 0.000) 14.650 24.676 ( -7.818 -7.801 0.000) 11.044 25.385 ( 36.351 -44.938 0.000) 57.800 25.485 ( 7.913 -12.683 0.000) 14.949 ======================= Grid point 7 (6/72) ======================= q-point: ( 0.40 0.07 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.86e-04 2.86e-04 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 105 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.308 ( 23.392 18.079 0.000) 29.564 1.332 ( 26.815 10.977 0.000) 28.975 1.767 ( -20.391 13.411 0.000) 24.407 1.850 ( -24.562 8.047 0.000) 25.847 2.156 ( 26.516 17.071 0.000) 31.536 2.341 ( 0.522 5.521 0.000) 5.545 2.457 ( 5.370 2.980 0.000) 6.142 2.548 ( -2.671 5.518 0.000) 6.131 2.662 ( -3.258 1.936 0.000) 3.790 2.797 ( 7.581 8.322 0.000) 11.258 2.815 ( -12.060 -2.259 0.000) 12.269 2.831 ( 4.405 9.150 0.000) 10.156 3.034 ( -3.692 12.487 0.000) 13.022 3.221 ( -18.913 12.206 0.000) 22.510 3.449 ( 7.519 1.987 0.000) 7.777 3.477 ( 3.721 6.147 0.000) 7.185 3.499 ( -0.787 7.564 0.000) 7.605 3.650 ( -13.502 0.191 0.000) 13.503 3.881 ( 9.973 -1.135 0.000) 10.038 4.004 ( -1.703 -1.376 0.000) 2.190 4.450 ( 5.636 0.676 0.000) 5.677 4.469 ( 1.875 -0.029 0.000) 1.875 4.953 ( 1.836 0.435 0.000) 1.887 4.996 ( -3.790 0.859 0.000) 3.886 5.243 ( 4.780 26.968 0.000) 27.388 5.331 ( -3.603 27.177 0.000) 27.415 5.425 ( 0.211 32.447 0.000) 32.448 5.443 ( -2.221 31.540 0.000) 31.618 5.766 ( 6.044 1.415 0.000) 6.208 5.908 ( -8.070 2.802 0.000) 8.543 6.157 ( 6.263 -3.424 0.000) 7.138 6.255 ( -4.826 -3.398 0.000) 5.902 7.101 ( 7.345 -3.654 0.000) 8.204 7.192 ( -2.237 -6.529 0.000) 6.901 7.274 ( 4.623 2.996 0.000) 5.509 7.393 ( -5.532 -2.365 0.000) 6.017 7.734 ( 12.329 3.961 0.000) 12.950 7.766 ( 6.241 -0.458 0.000) 6.258 7.841 ( 1.044 -4.816 0.000) 4.928 7.954 ( -0.970 -3.431 0.000) 3.565 8.125 ( -4.244 -3.062 0.000) 5.234 8.134 ( -9.496 -1.458 0.000) 9.607 8.652 ( 10.722 17.266 0.000) 20.324 8.813 ( -1.023 14.808 0.000) 14.844 9.043 ( 1.989 -6.620 0.000) 6.912 9.115 ( -4.602 -9.263 0.000) 10.343 9.189 ( 9.869 10.133 0.000) 14.145 9.323 ( 1.073 0.906 0.000) 1.404 9.335 ( -2.170 -7.783 0.000) 8.080 9.430 ( -9.728 10.900 0.000) 14.610 9.562 ( -1.609 7.946 0.000) 8.107 9.657 ( -7.876 10.699 0.000) 13.285 10.027 ( 9.450 13.158 0.000) 16.200 10.103 ( 0.647 5.427 0.000) 5.465 10.641 ( 12.231 -4.329 0.000) 12.975 10.679 ( 2.847 3.813 0.000) 4.759 10.913 ( -10.823 -10.011 0.000) 14.743 10.917 ( -21.259 20.252 0.000) 29.362 11.141 ( -3.380 1.705 0.000) 3.786 11.178 ( -4.792 -0.002 0.000) 4.792 11.731 ( 6.044 4.645 0.000) 7.623 11.776 ( 3.283 1.505 0.000) 3.612 11.939 ( -3.034 16.698 0.000) 16.972 11.957 ( -2.726 15.170 0.000) 15.413 12.649 ( 0.703 -22.628 0.000) 22.639 12.667 ( -1.366 -22.262 0.000) 22.304 13.108 ( 1.512 -30.316 0.000) 30.354 13.112 ( 0.293 -28.956 0.000) 28.957 13.319 ( -1.876 5.563 0.000) 5.871 13.329 ( -5.200 15.275 0.000) 16.136 13.880 ( 3.627 -3.865 0.000) 5.300 13.929 ( -1.053 -3.168 0.000) 3.339 14.279 ( 3.363 15.656 0.000) 16.013 14.333 ( -3.045 20.492 0.000) 20.717 14.846 ( 19.393 12.326 0.000) 22.978 15.122 ( -8.019 16.921 0.000) 18.726 15.208 ( 0.660 3.976 0.000) 4.030 15.232 ( -1.143 1.319 0.000) 1.745 15.382 ( 6.407 4.276 0.000) 7.703 15.636 ( -18.936 -1.531 0.000) 18.998 17.109 ( -0.067 5.549 0.000) 5.549 17.110 ( -0.067 5.413 0.000) 5.413 17.803 ( 0.812 -27.368 0.000) 27.380 17.823 ( -1.243 -26.650 0.000) 26.679 17.995 ( 3.283 -15.422 0.000) 15.768 18.082 ( -6.514 -7.717 0.000) 10.099 20.178 ( 6.500 16.159 0.000) 17.418 20.187 ( 9.616 1.382 0.000) 9.714 20.413 ( -3.880 31.063 0.000) 31.304 20.569 ( -15.087 14.751 0.000) 21.100 20.968 ( 0.831 12.130 0.000) 12.158 21.056 ( -8.276 11.067 0.000) 13.819 24.171 ( 17.139 -6.223 0.000) 18.234 24.470 ( -13.276 -7.207 0.000) 15.106 25.641 ( 6.868 -16.899 0.000) 18.241 25.697 ( 2.967 -26.517 0.000) 26.682 ======================= Grid point 10 (7/72) ======================= q-point: ( 0.00 0.14 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.86e-04 2.86e-04 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.256 ( 0.000 31.569 0.000) 31.569 1.384 ( 0.000 32.198 0.000) 32.198 2.146 ( 0.000 47.328 0.000) 47.328 2.314 ( 0.000 6.272 0.000) 6.272 2.492 ( 0.000 10.650 0.000) 10.650 2.568 ( 0.000 14.943 0.000) 14.943 2.626 ( 0.000 1.543 0.000) 1.543 2.738 ( 0.000 8.355 0.000) 8.355 2.741 ( 0.000 6.928 0.000) 6.928 2.969 ( 0.000 9.461 0.000) 9.461 3.106 ( 0.000 3.101 0.000) 3.101 3.110 ( 0.000 4.447 0.000) 4.447 3.172 ( 0.000 6.188 0.000) 6.188 3.316 ( 0.000 10.679 0.000) 10.679 3.386 ( 0.000 4.655 0.000) 4.655 3.660 ( 0.000 17.763 0.000) 17.763 3.661 ( 0.000 11.899 0.000) 11.899 3.788 ( 0.000 9.962 0.000) 9.962 3.955 ( 0.000 -1.574 0.000) 1.574 3.997 ( 0.000 2.595 0.000) 2.595 4.421 ( 0.000 11.052 0.000) 11.052 4.690 ( 0.000 5.196 0.000) 5.196 4.944 ( 0.000 3.751 0.000) 3.751 5.058 ( 0.000 -1.529 0.000) 1.529 5.632 ( 0.000 19.914 0.000) 19.914 5.781 ( 0.000 12.392 0.000) 12.392 5.783 ( 0.000 -0.377 0.000) 0.377 5.799 ( 0.000 6.238 0.000) 6.238 6.059 ( 0.000 35.819 0.000) 35.819 6.147 ( 0.000 34.374 0.000) 34.374 6.320 ( 0.000 20.518 0.000) 20.518 6.543 ( 0.000 14.750 0.000) 14.750 6.875 ( 0.000 1.635 0.000) 1.635 7.064 ( 0.000 0.858 0.000) 0.858 7.249 ( 0.000 -0.617 0.000) 0.617 7.361 ( 0.000 9.759 0.000) 9.759 7.644 ( 0.000 8.956 0.000) 8.956 7.675 ( 0.000 11.930 0.000) 11.930 7.753 ( 0.000 -5.879 0.000) 5.879 8.032 ( 0.000 3.126 0.000) 3.126 8.060 ( 0.000 -8.281 0.000) 8.281 8.368 ( 0.000 3.470 0.000) 3.470 8.631 ( 0.000 -3.838 0.000) 3.838 8.892 ( 0.000 16.198 0.000) 16.198 9.036 ( 0.000 -5.986 0.000) 5.986 9.078 ( 0.000 10.489 0.000) 10.489 9.240 ( 0.000 8.955 0.000) 8.955 9.241 ( 0.000 12.890 0.000) 12.890 9.465 ( 0.000 9.120 0.000) 9.120 9.570 ( 0.000 5.132 0.000) 5.132 9.852 ( 0.000 -0.018 0.000) 0.018 9.986 ( 0.000 5.249 0.000) 5.249 10.154 ( 0.000 22.505 0.000) 22.505 10.302 ( 0.000 -1.768 0.000) 1.768 10.659 ( 0.000 13.853 0.000) 13.853 10.753 ( 0.000 6.315 0.000) 6.315 10.840 ( 0.000 -2.323 0.000) 2.323 11.280 ( 0.000 -4.418 0.000) 4.418 11.389 ( 0.000 -9.795 0.000) 9.795 11.584 ( 0.000 -3.059 0.000) 3.059 11.634 ( 0.000 12.624 0.000) 12.624 11.854 ( 0.000 -14.935 0.000) 14.935 11.971 ( 0.000 6.233 0.000) 6.233 12.231 ( 0.000 11.193 0.000) 11.193 12.242 ( 0.000 -12.351 0.000) 12.351 12.319 ( 0.000 -37.489 0.000) 37.489 12.436 ( 0.000 -12.337 0.000) 12.337 12.485 ( 0.000 -31.353 0.000) 31.353 13.446 ( 0.000 -1.040 0.000) 1.040 13.635 ( 0.000 -8.144 0.000) 8.144 13.733 ( 0.000 -6.671 0.000) 6.671 13.870 ( 0.000 0.345 0.000) 0.345 14.453 ( 0.000 12.110 0.000) 12.110 14.522 ( 0.000 8.102 0.000) 8.102 15.144 ( 0.000 -0.966 0.000) 0.966 15.226 ( 0.000 20.058 0.000) 20.058 15.258 ( 0.000 0.684 0.000) 0.684 15.527 ( 0.000 12.522 0.000) 12.522 15.803 ( 0.000 -0.215 0.000) 0.215 16.008 ( 0.000 -7.316 0.000) 7.316 17.268 ( 0.000 -23.790 0.000) 23.790 17.268 ( 0.000 8.570 0.000) 8.570 17.289 ( 0.000 11.416 0.000) 11.416 17.291 ( 0.000 -29.069 0.000) 29.069 17.499 ( 0.000 -22.302 0.000) 22.302 19.178 ( 0.000 -30.905 0.000) 30.905 19.405 ( 0.000 12.678 0.000) 12.678 20.182 ( 0.000 -2.607 0.000) 2.607 21.279 ( 0.000 25.028 0.000) 25.028 21.390 ( 0.000 19.796 0.000) 19.796 21.422 ( 0.000 12.037 0.000) 12.037 21.472 ( 0.000 9.863 0.000) 9.863 23.770 ( 0.000 1.684 0.000) 1.684 24.247 ( 0.000 -10.086 0.000) 10.086 24.540 ( 0.000 -13.683 0.000) 13.683 25.091 ( 0.000 -19.384 0.000) 19.384 ======================= Grid point 11 (8/72) ======================= q-point: ( 0.20 0.14 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.86e-04 2.86e-04 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.325 ( 8.216 26.819 0.000) 28.049 1.477 ( 9.389 29.517 0.000) 30.974 2.304 ( 12.187 38.368 0.000) 40.257 2.307 ( -3.786 7.441 0.000) 8.349 2.382 ( -11.484 10.663 0.000) 15.670 2.519 ( -12.535 5.637 0.000) 13.744 2.542 ( 1.166 14.357 0.000) 14.405 2.689 ( 5.746 4.569 0.000) 7.341 2.779 ( -2.274 8.346 0.000) 8.650 2.945 ( 1.764 8.316 0.000) 8.501 2.978 ( -6.266 9.003 0.000) 10.969 3.041 ( -5.815 9.493 0.000) 11.133 3.294 ( 7.218 5.812 0.000) 9.267 3.454 ( 8.025 9.918 0.000) 12.758 3.462 ( 0.873 8.110 0.000) 8.157 3.552 ( 0.372 10.683 0.000) 10.689 3.733 ( -4.266 8.779 0.000) 9.760 3.774 ( 5.577 10.982 0.000) 12.317 3.915 ( -7.350 -3.142 0.000) 7.993 4.022 ( 2.616 6.051 0.000) 6.592 4.463 ( 3.896 10.178 0.000) 10.898 4.617 ( -6.067 8.523 0.000) 10.462 4.940 ( 0.923 2.722 0.000) 2.874 5.055 ( -0.740 -0.702 0.000) 1.020 5.644 ( 2.103 16.770 0.000) 16.902 5.746 ( 0.730 3.948 0.000) 4.015 5.875 ( 7.612 12.701 0.000) 14.808 5.933 ( 8.072 -0.802 0.000) 8.112 6.034 ( -2.251 36.771 0.000) 36.839 6.157 ( 0.680 34.859 0.000) 34.865 6.265 ( -5.540 20.661 0.000) 21.391 6.464 ( -7.531 18.020 0.000) 19.530 6.940 ( 5.968 0.973 0.000) 6.047 7.095 ( 2.217 -0.257 0.000) 2.232 7.297 ( 4.426 -3.127 0.000) 5.419 7.353 ( -0.241 9.238 0.000) 9.241 7.680 ( 4.547 9.264 0.000) 10.320 7.738 ( 5.263 9.508 0.000) 10.868 7.779 ( 2.571 -6.227 0.000) 6.737 7.941 ( -6.905 5.074 0.000) 8.569 8.074 ( 0.337 -7.575 0.000) 7.583 8.335 ( -4.688 3.136 0.000) 5.640 8.724 ( 7.499 -4.764 0.000) 8.884 8.862 ( -0.214 16.263 0.000) 16.265 9.018 ( -2.116 -5.729 0.000) 6.107 9.096 ( 1.943 9.549 0.000) 9.745 9.264 ( 1.426 8.788 0.000) 8.903 9.267 ( 1.102 5.473 0.000) 5.583 9.475 ( 1.649 13.298 0.000) 13.400 9.585 ( 2.260 7.630 0.000) 7.958 9.842 ( -2.341 3.522 0.000) 4.229 9.960 ( -3.789 4.613 0.000) 5.969 10.228 ( 6.603 21.871 0.000) 22.846 10.271 ( -1.136 1.879 0.000) 2.195 10.572 ( -6.932 8.695 0.000) 11.120 10.703 ( -2.405 5.223 0.000) 5.750 10.834 ( -0.930 -2.541 0.000) 2.706 11.215 ( -5.432 -0.140 0.000) 5.433 11.300 ( -8.153 -5.782 0.000) 9.995 11.641 ( -12.919 4.191 0.000) 13.582 11.654 ( 5.947 -4.672 0.000) 7.562 11.703 ( 0.807 -0.385 0.000) 0.895 12.072 ( 5.976 0.981 0.000) 6.056 12.185 ( -2.024 -21.963 0.000) 22.056 12.233 ( -0.156 7.547 0.000) 7.549 12.370 ( -5.925 -14.456 0.000) 15.623 12.415 ( 5.865 -29.420 0.000) 29.999 12.500 ( 1.160 -26.717 0.000) 26.742 13.401 ( -1.783 -0.222 0.000) 1.797 13.678 ( 3.962 -8.234 0.000) 9.137 13.801 ( 3.761 -6.952 0.000) 7.905 13.807 ( -7.130 3.843 0.000) 8.100 14.480 ( 3.162 12.263 0.000) 12.664 14.670 ( 14.651 8.243 0.000) 16.811 14.980 ( -14.095 12.594 0.000) 18.902 15.260 ( 1.150 10.783 0.000) 10.845 15.263 ( 0.485 1.382 0.000) 1.465 15.527 ( 0.016 12.207 0.000) 12.207 15.664 ( -9.934 9.036 0.000) 13.429 15.899 ( -11.931 -5.576 0.000) 13.170 17.218 ( -2.630 -11.044 0.000) 11.353 17.238 ( -2.223 -7.667 0.000) 7.983 17.305 ( 0.877 -12.280 0.000) 12.311 17.326 ( 1.507 -2.000 0.000) 2.504 17.540 ( 3.958 -21.755 0.000) 22.112 18.406 ( -40.095 -7.501 0.000) 40.791 19.866 ( 18.703 -5.521 0.000) 19.501 20.202 ( 1.781 -4.180 0.000) 4.543 21.177 ( -12.854 21.988 0.000) 25.470 21.216 ( -7.750 24.814 0.000) 25.996 21.346 ( -2.028 22.212 0.000) 22.305 21.489 ( -4.665 13.548 0.000) 14.329 23.785 ( 7.968 -2.091 0.000) 8.238 24.468 ( -7.016 -13.063 0.000) 14.828 24.720 ( 30.396 -25.499 0.000) 39.676 25.150 ( 4.976 -20.834 0.000) 21.420 ======================= Grid point 12 (9/72) ======================= q-point: ( 0.40 0.14 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.86e-04 2.86e-04 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.593 ( 18.753 15.759 0.000) 24.495 1.728 ( 15.641 23.343 0.000) 28.099 2.006 ( -21.651 8.294 0.000) 23.185 2.064 ( -17.552 16.503 0.000) 24.092 2.467 ( 2.620 7.194 0.000) 7.657 2.497 ( 1.379 11.240 0.000) 11.324 2.654 ( 11.678 17.090 0.000) 20.699 2.731 ( -1.449 9.640 0.000) 9.748 2.740 ( -1.532 9.189 0.000) 9.316 2.870 ( -9.647 10.164 0.000) 14.013 3.019 ( 9.176 14.755 0.000) 17.375 3.042 ( 4.683 11.443 0.000) 12.364 3.329 ( -0.945 16.194 0.000) 16.221 3.472 ( -8.437 12.624 0.000) 15.184 3.498 ( 7.366 3.309 0.000) 8.075 3.645 ( 4.049 9.286 0.000) 10.130 3.664 ( -5.083 7.353 0.000) 8.939 3.706 ( -8.440 7.153 0.000) 11.064 3.899 ( 7.120 4.439 0.000) 8.390 4.015 ( -3.830 2.539 0.000) 4.595 4.533 ( 2.280 7.461 0.000) 7.801 4.548 ( -0.618 8.036 0.000) 8.059 4.980 ( 2.489 2.282 0.000) 3.377 5.024 ( -2.130 1.863 0.000) 2.830 5.713 ( 4.436 12.283 0.000) 13.060 5.773 ( -0.239 3.900 0.000) 3.907 6.011 ( 2.051 32.971 0.000) 33.034 6.020 ( 6.368 10.427 0.000) 12.217 6.067 ( 3.885 -2.489 0.000) 4.613 6.125 ( -7.963 24.394 0.000) 25.661 6.165 ( 1.567 38.441 0.000) 38.473 6.290 ( -9.230 23.542 0.000) 25.287 7.058 ( 5.081 -0.171 0.000) 5.084 7.114 ( -0.702 -0.555 0.000) 0.895 7.364 ( 1.235 6.158 0.000) 6.281 7.370 ( 1.754 -1.120 0.000) 2.081 7.794 ( 1.040 2.184 0.000) 2.419 7.817 ( 1.645 2.945 0.000) 3.373 7.851 ( 5.205 6.854 0.000) 8.606 7.880 ( 6.057 -2.931 0.000) 6.729 8.051 ( -2.137 -2.842 0.000) 3.556 8.158 ( -12.087 5.230 0.000) 13.170 8.860 ( 6.019 -5.481 0.000) 8.140 8.950 ( 0.173 -2.479 0.000) 2.485 8.973 ( 5.938 10.671 0.000) 12.211 9.133 ( -1.547 12.269 0.000) 12.366 9.228 ( -2.605 -1.539 0.000) 3.026 9.260 ( -2.120 2.463 0.000) 3.250 9.546 ( 5.703 16.206 0.000) 17.181 9.651 ( 0.104 11.918 0.000) 11.919 9.751 ( -1.850 11.391 0.000) 11.540 9.848 ( -6.920 9.528 0.000) 11.776 10.303 ( 1.115 11.932 0.000) 11.984 10.303 ( 1.083 11.962 0.000) 12.011 10.517 ( 5.191 -7.003 0.000) 8.718 10.696 ( -6.446 -6.390 0.000) 9.077 10.858 ( 10.622 10.487 0.000) 14.927 11.096 ( -7.714 4.641 0.000) 9.002 11.165 ( -2.773 -0.324 0.000) 2.792 11.291 ( -17.171 5.921 0.000) 18.164 11.756 ( 3.505 -4.838 0.000) 5.975 11.766 ( 2.271 -0.822 0.000) 2.415 12.139 ( 1.808 -7.160 0.000) 7.385 12.199 ( -3.799 -0.393 0.000) 3.819 12.206 ( 3.246 -13.965 0.000) 14.337 12.264 ( -3.428 -13.607 0.000) 14.032 12.503 ( 2.859 -26.193 0.000) 26.349 12.521 ( 0.658 -24.070 0.000) 24.079 13.428 ( 5.039 4.964 0.000) 7.073 13.602 ( -11.959 9.213 0.000) 15.097 13.765 ( 4.302 -7.200 0.000) 8.387 13.824 ( -1.293 -7.189 0.000) 7.304 14.568 ( 5.734 13.552 0.000) 14.715 14.717 ( -10.603 16.999 0.000) 20.034 15.048 ( 22.184 6.509 0.000) 23.120 15.261 ( -1.139 5.718 0.000) 5.831 15.279 ( 1.625 4.114 0.000) 4.424 15.495 ( -13.193 14.552 0.000) 19.642 15.532 ( 0.803 10.725 0.000) 10.755 15.603 ( -11.561 -0.768 0.000) 11.587 17.188 ( -0.403 -12.345 0.000) 12.352 17.200 ( -1.483 -12.310 0.000) 12.399 17.323 ( 1.002 -5.735 0.000) 5.822 17.337 ( -0.242 -3.076 0.000) 3.085 17.648 ( 7.519 -19.965 0.000) 21.334 17.869 ( -17.101 -14.537 0.000) 22.445 20.128 ( 9.316 -7.364 0.000) 11.875 20.224 ( -0.775 -7.904 0.000) 7.941 21.005 ( -4.368 27.691 0.000) 28.033 21.038 ( -7.574 28.345 0.000) 29.339 21.338 ( 0.893 22.874 0.000) 22.892 21.386 ( -4.320 20.203 0.000) 20.659 24.025 ( 14.327 -8.031 0.000) 16.424 24.284 ( -11.794 -11.327 0.000) 16.353 25.134 ( 11.870 -28.791 0.000) 31.142 25.224 ( 1.079 -24.506 0.000) 24.529 ======================= Grid point 15 (10/72) ======================= q-point: ( 0.00 0.21 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.86e-04 2.86e-04 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 63 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.848 ( 0.000 29.194 0.000) 29.194 1.955 ( 0.000 26.420 0.000) 26.420 2.507 ( 0.000 12.988 0.000) 12.988 2.660 ( 0.000 9.557 0.000) 9.557 2.690 ( 0.000 5.183 0.000) 5.183 2.827 ( 0.000 18.496 0.000) 18.496 2.896 ( 0.000 8.450 0.000) 8.450 2.898 ( 0.000 7.623 0.000) 7.623 2.943 ( 0.000 -3.463 0.000) 3.463 3.044 ( 0.000 29.198 0.000) 29.198 3.233 ( 0.000 14.714 0.000) 14.714 3.310 ( 0.000 8.078 0.000) 8.078 3.391 ( 0.000 14.612 0.000) 14.612 3.460 ( 0.000 3.342 0.000) 3.342 3.495 ( 0.000 6.520 0.000) 6.520 3.846 ( 0.000 -4.368 0.000) 4.368 3.878 ( 0.000 10.147 0.000) 10.147 3.994 ( 0.000 11.411 0.000) 11.411 4.047 ( 0.000 20.476 0.000) 20.476 4.123 ( 0.000 5.061 0.000) 5.061 4.647 ( 0.000 11.728 0.000) 11.728 4.865 ( 0.000 12.645 0.000) 12.645 5.023 ( 0.000 -2.001 0.000) 2.001 5.028 ( 0.000 4.614 0.000) 4.614 5.780 ( 0.000 0.435 0.000) 0.435 5.790 ( 0.000 -6.344 0.000) 6.344 5.864 ( 0.000 7.003 0.000) 7.003 5.864 ( 0.000 1.488 0.000) 1.488 6.676 ( 0.000 16.622 0.000) 16.622 6.751 ( 0.000 29.176 0.000) 29.176 6.823 ( 0.000 22.692 0.000) 22.692 6.869 ( 0.000 13.044 0.000) 13.044 6.934 ( 0.000 8.125 0.000) 8.125 7.129 ( 0.000 6.081 0.000) 6.081 7.290 ( 0.000 7.043 0.000) 7.043 7.570 ( 0.000 2.050 0.000) 2.050 7.736 ( 0.000 13.031 0.000) 13.031 7.857 ( 0.000 12.899 0.000) 12.899 7.874 ( 0.000 -8.768 0.000) 8.768 7.960 ( 0.000 17.181 0.000) 17.181 8.159 ( 0.000 9.978 0.000) 9.978 8.467 ( 0.000 8.246 0.000) 8.246 8.618 ( 0.000 2.701 0.000) 2.701 8.995 ( 0.000 1.501 0.000) 1.501 9.221 ( 0.000 16.528 0.000) 16.528 9.331 ( 0.000 16.420 0.000) 16.420 9.474 ( 0.000 13.659 0.000) 13.659 9.487 ( 0.000 12.536 0.000) 12.536 9.653 ( 0.000 9.760 0.000) 9.760 9.718 ( 0.000 9.993 0.000) 9.993 9.898 ( 0.000 6.330 0.000) 6.330 9.989 ( 0.000 -0.529 0.000) 0.529 10.258 ( 0.000 -0.872 0.000) 0.872 10.620 ( 0.000 22.835 0.000) 22.835 10.861 ( 0.000 1.595 0.000) 1.595 10.904 ( 0.000 7.633 0.000) 7.633 10.941 ( 0.000 6.129 0.000) 6.129 11.104 ( 0.000 -14.319 0.000) 14.319 11.146 ( 0.000 -10.441 0.000) 10.441 11.442 ( 0.000 -20.698 0.000) 20.698 11.565 ( 0.000 -38.299 0.000) 38.299 11.600 ( 0.000 4.468 0.000) 4.468 11.825 ( 0.000 -25.005 0.000) 25.005 11.883 ( 0.000 9.482 0.000) 9.482 12.106 ( 0.000 7.172 0.000) 7.172 12.245 ( 0.000 11.324 0.000) 11.324 12.257 ( 0.000 -6.886 0.000) 6.886 12.495 ( 0.000 8.477 0.000) 8.477 13.402 ( 0.000 -2.887 0.000) 2.887 13.415 ( 0.000 -14.376 0.000) 14.376 13.575 ( 0.000 -9.419 0.000) 9.419 13.839 ( 0.000 -3.422 0.000) 3.422 14.657 ( 0.000 8.655 0.000) 8.655 14.662 ( 0.000 5.340 0.000) 5.340 15.095 ( 0.000 -4.213 0.000) 4.213 15.301 ( 0.000 4.635 0.000) 4.635 15.569 ( 0.000 14.666 0.000) 14.666 15.754 ( 0.000 10.038 0.000) 10.038 15.816 ( 0.000 1.813 0.000) 1.813 15.833 ( 0.000 -10.841 0.000) 10.841 16.820 ( 0.000 -18.230 0.000) 18.230 16.889 ( 0.000 -14.515 0.000) 14.515 16.993 ( 0.000 -24.462 0.000) 24.462 17.527 ( 0.000 13.412 0.000) 13.412 17.529 ( 0.000 12.442 0.000) 12.442 18.580 ( 0.000 -29.471 0.000) 29.471 19.528 ( 0.000 0.566 0.000) 0.566 19.996 ( 0.000 -14.361 0.000) 14.361 21.612 ( 0.000 4.620 0.000) 4.620 21.651 ( 0.000 10.170 0.000) 10.170 21.747 ( 0.000 21.798 0.000) 21.798 21.781 ( 0.000 17.806 0.000) 17.806 23.802 ( 0.000 1.460 0.000) 1.460 24.062 ( 0.000 -8.194 0.000) 8.194 24.253 ( 0.000 -15.263 0.000) 15.263 24.676 ( 0.000 -22.431 0.000) 22.431 ======================= Grid point 16 (11/72) ======================= q-point: ( 0.20 0.21 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.86e-04 2.86e-04 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 105 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.847 ( 0.883 26.427 0.000) 26.442 2.010 ( 5.640 24.955 0.000) 25.585 2.502 ( -7.730 11.010 0.000) 13.453 2.576 ( -7.770 9.898 0.000) 12.584 2.613 ( -8.594 5.238 0.000) 10.065 2.725 ( 1.298 5.999 0.000) 6.138 2.790 ( -1.315 16.878 0.000) 16.929 2.903 ( -1.188 5.850 0.000) 5.969 3.067 ( 0.624 19.374 0.000) 19.384 3.092 ( 6.692 8.041 0.000) 10.461 3.261 ( 5.244 25.320 0.000) 25.857 3.289 ( -6.414 11.413 0.000) 13.092 3.403 ( 7.955 6.405 0.000) 10.213 3.535 ( 5.319 1.660 0.000) 5.572 3.661 ( 9.068 10.541 0.000) 13.905 3.798 ( -5.169 11.967 0.000) 13.036 3.823 ( -1.330 -1.428 0.000) 1.951 3.952 ( -4.115 8.684 0.000) 9.610 4.072 ( 1.447 18.006 0.000) 18.064 4.124 ( -0.528 3.994 0.000) 4.029 4.672 ( 2.071 10.741 0.000) 10.939 4.833 ( -3.521 13.160 0.000) 13.623 5.022 ( 0.289 5.883 0.000) 5.890 5.042 ( 1.555 -0.693 0.000) 1.703 5.762 ( -0.727 -2.499 0.000) 2.603 5.812 ( 2.166 2.922 0.000) 3.638 5.881 ( 1.969 -3.028 0.000) 3.612 5.925 ( 3.871 0.247 0.000) 3.879 6.683 ( -1.827 22.056 0.000) 22.131 6.734 ( -5.632 20.026 0.000) 20.803 6.763 ( 3.903 25.218 0.000) 25.518 6.910 ( 2.146 16.396 0.000) 16.536 7.009 ( 5.793 11.719 0.000) 13.072 7.149 ( 1.846 6.342 0.000) 6.605 7.289 ( 0.425 4.672 0.000) 4.692 7.600 ( 0.395 10.875 0.000) 10.882 7.679 ( -2.302 1.170 0.000) 2.582 7.869 ( 1.132 -0.861 0.000) 1.422 7.943 ( 5.535 7.558 0.000) 9.368 7.970 ( 0.203 13.948 0.000) 13.949 8.117 ( -2.698 11.942 0.000) 12.243 8.471 ( -0.541 12.460 0.000) 12.472 8.677 ( 5.260 0.566 0.000) 5.290 8.959 ( -3.114 0.917 0.000) 3.246 9.202 ( -2.268 17.348 0.000) 17.496 9.306 ( -1.726 13.327 0.000) 13.438 9.416 ( -2.801 7.430 0.000) 7.941 9.460 ( -2.453 13.013 0.000) 13.242 9.745 ( 5.725 11.844 0.000) 13.155 9.791 ( 7.352 13.024 0.000) 14.956 9.943 ( 3.759 7.894 0.000) 8.743 10.000 ( 1.341 2.716 0.000) 3.029 10.254 ( 0.708 -0.667 0.000) 0.973 10.593 ( -4.553 15.695 0.000) 16.342 10.739 ( -13.120 4.886 0.000) 14.001 10.816 ( -2.494 4.503 0.000) 5.148 10.936 ( -0.522 6.821 0.000) 6.841 11.092 ( -0.875 -13.861 0.000) 13.889 11.178 ( 0.464 -5.855 0.000) 5.874 11.374 ( -5.265 -23.475 0.000) 24.058 11.595 ( 1.694 -31.295 0.000) 31.341 11.598 ( 0.008 0.322 0.000) 0.322 11.814 ( -1.228 -23.895 0.000) 23.926 11.837 ( -4.201 7.358 0.000) 8.473 12.146 ( 1.853 9.317 0.000) 9.499 12.206 ( -3.794 -4.528 0.000) 5.908 12.244 ( 2.094 4.825 0.000) 5.260 12.510 ( -0.004 6.686 0.000) 6.686 13.374 ( 0.703 -2.507 0.000) 2.603 13.457 ( 3.799 -14.033 0.000) 14.538 13.644 ( 3.914 -8.660 0.000) 9.503 13.821 ( -2.238 -1.956 0.000) 2.972 14.685 ( 3.380 8.424 0.000) 9.077 14.797 ( 12.764 4.231 0.000) 13.447 15.045 ( -5.000 -1.998 0.000) 5.384 15.326 ( 2.604 5.935 0.000) 6.482 15.550 ( -2.869 15.119 0.000) 15.389 15.725 ( -7.260 -5.399 0.000) 9.047 15.750 ( -0.436 9.805 0.000) 9.815 15.804 ( -3.819 -0.087 0.000) 3.820 16.807 ( -0.818 -17.896 0.000) 17.915 16.872 ( -1.675 -14.154 0.000) 14.253 17.044 ( 5.009 -23.617 0.000) 24.142 17.524 ( -0.781 11.191 0.000) 11.219 17.533 ( 0.619 13.253 0.000) 13.267 18.130 ( -33.695 -17.417 0.000) 37.931 19.738 ( 13.282 -8.107 0.000) 15.560 19.999 ( 0.143 -14.667 0.000) 14.667 21.516 ( -5.073 12.857 0.000) 13.822 21.679 ( -6.761 20.727 0.000) 21.802 21.707 ( 1.845 8.420 0.000) 8.620 21.767 ( -0.919 19.244 0.000) 19.265 23.769 ( 1.983 0.179 0.000) 1.991 24.196 ( -5.394 -14.246 0.000) 15.233 24.326 ( 18.692 -16.007 0.000) 24.609 24.715 ( 3.002 -23.063 0.000) 23.257 ======================= Grid point 17 (12/72) ======================= q-point: ( 0.40 0.21 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.86e-04 2.86e-04 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 105 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.930 ( 8.512 18.461 0.000) 20.328 2.165 ( 9.964 20.983 0.000) 23.228 2.181 ( -16.790 9.639 0.000) 19.360 2.379 ( -11.528 15.384 0.000) 19.224 2.646 ( 4.021 11.321 0.000) 12.013 2.709 ( -2.242 11.073 0.000) 11.297 2.822 ( 2.961 7.895 0.000) 8.432 2.872 ( -2.065 6.453 0.000) 6.776 3.072 ( 1.277 15.627 0.000) 15.679 3.135 ( -4.300 13.208 0.000) 13.890 3.259 ( 6.188 10.662 0.000) 12.327 3.358 ( -0.100 17.782 0.000) 17.782 3.558 ( 3.255 3.008 0.000) 4.432 3.614 ( 10.344 12.452 0.000) 16.188 3.660 ( -5.907 6.057 0.000) 8.461 3.806 ( 5.191 8.817 0.000) 10.232 3.826 ( -9.185 9.606 0.000) 13.291 3.866 ( 1.302 8.973 0.000) 9.067 4.090 ( 0.454 13.746 0.000) 13.754 4.100 ( -1.166 5.202 0.000) 5.331 4.709 ( 1.680 9.938 0.000) 10.079 4.754 ( -3.502 12.314 0.000) 12.802 5.048 ( 1.684 5.084 0.000) 5.356 5.064 ( 0.285 2.225 0.000) 2.244 5.779 ( 2.087 -1.905 0.000) 2.826 5.819 ( -1.383 0.918 0.000) 1.661 5.941 ( 3.319 -5.251 0.000) 6.212 5.973 ( 0.525 -3.960 0.000) 3.995 6.634 ( -1.718 21.998 0.000) 22.065 6.645 ( -2.971 20.775 0.000) 20.987 6.867 ( 5.025 31.237 0.000) 31.638 6.926 ( -0.949 28.057 0.000) 28.073 7.118 ( 4.746 9.299 0.000) 10.440 7.172 ( -0.549 7.355 0.000) 7.376 7.340 ( 5.649 -0.840 0.000) 5.711 7.488 ( -8.353 5.591 0.000) 10.051 7.754 ( 6.193 -4.478 0.000) 7.642 7.855 ( -3.358 -5.514 0.000) 6.456 7.970 ( 0.313 11.822 0.000) 11.826 7.988 ( -1.155 14.267 0.000) 14.314 8.183 ( 9.984 16.386 0.000) 19.187 8.387 ( -8.761 18.721 0.000) 20.669 8.787 ( 5.552 -1.447 0.000) 5.737 8.884 ( -4.513 -0.914 0.000) 4.604 9.211 ( 4.410 11.747 0.000) 12.548 9.289 ( -0.579 8.819 0.000) 8.838 9.373 ( -2.592 8.381 0.000) 8.772 9.374 ( -4.951 11.801 0.000) 12.798 9.854 ( 5.853 13.241 0.000) 14.477 9.928 ( 2.233 16.392 0.000) 16.543 9.988 ( 2.054 13.008 0.000) 13.169 10.027 ( 0.420 10.140 0.000) 10.149 10.362 ( 10.187 -4.470 0.000) 11.125 10.465 ( -5.776 5.587 0.000) 8.036 10.518 ( -6.057 6.052 0.000) 8.563 10.672 ( -13.045 3.701 0.000) 13.560 11.009 ( 7.391 -1.763 0.000) 7.598 11.116 ( 4.254 -4.920 0.000) 6.504 11.130 ( -4.774 -4.309 0.000) 6.431 11.252 ( -7.771 -13.291 0.000) 15.396 11.605 ( 0.675 -9.743 0.000) 9.767 11.614 ( 0.143 -22.563 0.000) 22.564 11.767 ( -1.625 -3.204 0.000) 3.593 11.780 ( -1.958 -18.493 0.000) 18.596 12.142 ( -0.710 5.646 0.000) 5.691 12.149 ( -1.704 0.087 0.000) 1.706 12.349 ( 6.753 0.942 0.000) 6.819 12.464 ( -4.578 2.970 0.000) 5.457 13.460 ( 6.549 -3.803 0.000) 7.573 13.522 ( 1.422 -12.688 0.000) 12.767 13.687 ( 1.151 -5.167 0.000) 5.293 13.745 ( -5.009 1.179 0.000) 5.145 14.779 ( 6.194 7.251 0.000) 9.536 14.917 ( -7.591 3.555 0.000) 8.382 15.111 ( 17.907 0.741 0.000) 17.923 15.404 ( 5.731 9.231 0.000) 10.865 15.413 ( -11.701 5.509 0.000) 12.933 15.558 ( -9.712 3.136 0.000) 10.206 15.740 ( -0.500 9.067 0.000) 9.080 15.742 ( -1.318 7.466 0.000) 7.582 16.804 ( 0.650 -16.100 0.000) 16.113 16.832 ( -2.101 -14.231 0.000) 14.385 17.188 ( 10.348 -21.485 0.000) 23.847 17.443 ( -11.986 -7.507 0.000) 14.143 17.551 ( 1.277 12.733 0.000) 12.797 17.624 ( -11.593 2.308 0.000) 11.820 19.925 ( 6.056 -12.935 0.000) 14.282 19.991 ( -1.379 -14.789 0.000) 14.853 21.464 ( 0.337 18.919 0.000) 18.922 21.535 ( -6.607 21.309 0.000) 22.310 21.728 ( 0.828 13.662 0.000) 13.687 21.747 ( -1.097 17.672 0.000) 17.706 23.887 ( 8.691 -5.775 0.000) 10.435 24.059 ( -8.423 -11.116 0.000) 13.946 24.628 ( 11.045 -22.934 0.000) 25.455 24.743 ( -1.340 -24.062 0.000) 24.099 ======================= Grid point 20 (13/72) ======================= q-point: ( 0.00 0.29 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.86e-04 2.86e-04 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.377 ( 0.000 24.992 0.000) 24.992 2.406 ( 0.000 20.107 0.000) 20.107 2.784 ( 0.000 14.627 0.000) 14.627 2.820 ( 0.000 7.908 0.000) 7.908 2.828 ( 0.000 7.847 0.000) 7.847 2.871 ( 0.000 -3.480 0.000) 3.480 3.007 ( 0.000 2.745 0.000) 2.745 3.069 ( 0.000 8.585 0.000) 8.585 3.120 ( 0.000 11.587 0.000) 11.587 3.290 ( 0.000 8.088 0.000) 8.088 3.482 ( 0.000 9.327 0.000) 9.327 3.514 ( 0.000 2.141 0.000) 2.141 3.543 ( 0.000 -0.329 0.000) 0.329 3.601 ( 0.000 7.163 0.000) 7.163 3.801 ( 0.000 30.056 0.000) 30.056 3.807 ( 0.000 -0.892 0.000) 0.892 4.047 ( 0.000 7.502 0.000) 7.502 4.201 ( 0.000 3.871 0.000) 3.871 4.223 ( 0.000 11.520 0.000) 11.520 4.414 ( 0.000 16.798 0.000) 16.798 4.859 ( 0.000 9.776 0.000) 9.776 4.987 ( 0.000 -1.529 0.000) 1.529 5.115 ( 0.000 4.324 0.000) 4.324 5.139 ( 0.000 13.776 0.000) 13.776 5.659 ( 0.000 -4.994 0.000) 4.994 5.811 ( 0.000 2.995 0.000) 2.995 5.870 ( 0.000 -0.391 0.000) 0.391 5.975 ( 0.000 4.927 0.000) 4.927 6.835 ( 0.000 3.403 0.000) 3.403 6.977 ( 0.000 5.214 0.000) 5.214 7.044 ( 0.000 7.086 0.000) 7.086 7.071 ( 0.000 7.447 0.000) 7.447 7.177 ( 0.000 -2.968 0.000) 2.968 7.306 ( 0.000 17.982 0.000) 17.982 7.523 ( 0.000 -2.221 0.000) 2.221 7.544 ( 0.000 14.801 0.000) 14.801 7.839 ( 0.000 5.907 0.000) 5.907 8.024 ( 0.000 9.391 0.000) 9.391 8.131 ( 0.000 14.505 0.000) 14.505 8.325 ( 0.000 19.807 0.000) 19.807 8.408 ( 0.000 15.405 0.000) 15.405 8.728 ( 0.000 8.172 0.000) 8.172 8.753 ( 0.000 21.317 0.000) 21.317 9.045 ( 0.000 1.875 0.000) 1.875 9.486 ( 0.000 9.825 0.000) 9.825 9.653 ( 0.000 4.103 0.000) 4.103 9.671 ( 0.000 5.271 0.000) 5.271 9.680 ( 0.000 15.127 0.000) 15.127 9.853 ( 0.000 11.486 0.000) 11.486 9.972 ( 0.000 16.229 0.000) 16.229 10.097 ( 0.000 11.788 0.000) 11.788 10.098 ( 0.000 8.748 0.000) 8.748 10.348 ( 0.000 13.096 0.000) 13.096 10.626 ( 0.000 -27.388 0.000) 27.388 10.645 ( 0.000 -17.517 0.000) 17.517 10.715 ( 0.000 -30.028 0.000) 30.028 10.848 ( 0.000 -12.284 0.000) 12.284 11.056 ( 0.000 -13.852 0.000) 13.852 11.085 ( 0.000 4.408 0.000) 4.408 11.125 ( 0.000 23.924 0.000) 23.924 11.195 ( 0.000 -3.302 0.000) 3.302 11.689 ( 0.000 6.020 0.000) 6.020 11.761 ( 0.000 11.152 0.000) 11.152 12.058 ( 0.000 10.135 0.000) 10.135 12.173 ( 0.000 -0.136 0.000) 0.136 12.235 ( 0.000 5.591 0.000) 5.591 12.566 ( 0.000 18.236 0.000) 18.236 12.577 ( 0.000 -0.247 0.000) 0.247 13.085 ( 0.000 -19.264 0.000) 19.264 13.349 ( 0.000 -2.413 0.000) 2.413 13.379 ( 0.000 -10.330 0.000) 10.330 13.743 ( 0.000 -6.330 0.000) 6.330 14.697 ( 0.000 -2.040 0.000) 2.040 14.765 ( 0.000 1.782 0.000) 1.782 14.985 ( 0.000 -6.739 0.000) 6.739 15.473 ( 0.000 13.511 0.000) 13.511 15.584 ( 0.000 -14.313 0.000) 14.313 15.791 ( 0.000 8.364 0.000) 8.364 15.882 ( 0.000 5.097 0.000) 5.097 15.898 ( 0.000 5.096 0.000) 5.096 16.559 ( 0.000 -19.072 0.000) 19.072 16.615 ( 0.000 -3.334 0.000) 3.334 16.723 ( 0.000 -2.903 0.000) 2.903 17.677 ( 0.000 -3.382 0.000) 3.382 17.809 ( 0.000 15.358 0.000) 15.358 18.143 ( 0.000 -9.050 0.000) 9.050 19.457 ( 0.000 -7.172 0.000) 7.172 19.679 ( 0.000 -17.467 0.000) 17.467 21.660 ( 0.000 0.729 0.000) 0.729 21.780 ( 0.000 2.814 0.000) 2.814 22.026 ( 0.000 7.095 0.000) 7.095 22.080 ( 0.000 11.749 0.000) 11.749 23.821 ( 0.000 0.424 0.000) 0.424 23.943 ( 0.000 -4.171 0.000) 4.171 23.976 ( 0.000 -12.576 0.000) 12.576 24.256 ( 0.000 -20.035 0.000) 20.035 ======================= Grid point 21 (14/72) ======================= q-point: ( 0.20 0.29 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.86e-04 2.86e-04 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.335 ( -3.460 23.527 0.000) 23.780 2.437 ( 3.038 18.806 0.000) 19.050 2.621 ( -15.077 3.094 0.000) 15.391 2.764 ( -4.622 9.366 0.000) 10.445 2.818 ( 3.082 13.758 0.000) 14.099 2.853 ( 1.471 7.020 0.000) 7.173 3.020 ( -1.165 5.456 0.000) 5.579 3.089 ( -2.741 13.383 0.000) 13.661 3.224 ( 9.369 4.726 0.000) 10.494 3.290 ( 0.357 8.010 0.000) 8.018 3.448 ( -4.298 5.809 0.000) 7.226 3.527 ( 3.172 5.524 0.000) 6.370 3.562 ( 4.666 2.954 0.000) 5.523 3.777 ( 3.404 -2.575 0.000) 4.268 3.821 ( 9.453 4.503 0.000) 10.471 3.833 ( 2.210 27.167 0.000) 27.257 3.989 ( -3.600 7.401 0.000) 8.231 4.117 ( -6.255 6.369 0.000) 8.927 4.217 ( -2.326 7.597 0.000) 7.945 4.414 ( -0.945 16.264 0.000) 16.292 4.864 ( 0.792 8.726 0.000) 8.762 5.032 ( 4.193 0.158 0.000) 4.196 5.078 ( -3.033 10.227 0.000) 10.667 5.175 ( 2.201 10.035 0.000) 10.274 5.662 ( 0.590 -4.717 0.000) 4.753 5.826 ( -0.237 -1.000 0.000) 1.028 5.871 ( 1.199 2.106 0.000) 2.424 5.962 ( -1.056 2.755 0.000) 2.950 6.925 ( 8.609 1.874 0.000) 8.811 6.957 ( -5.614 6.066 0.000) 8.265 6.969 ( -3.423 7.496 0.000) 8.241 7.055 ( 4.273 6.333 0.000) 7.640 7.308 ( 7.332 3.353 0.000) 8.062 7.359 ( 4.690 14.924 0.000) 15.644 7.515 ( -2.187 15.252 0.000) 15.408 7.573 ( 4.353 -1.651 0.000) 4.655 7.809 ( -2.519 1.855 0.000) 3.129 7.916 ( -10.469 9.994 0.000) 14.473 8.247 ( 9.285 16.737 0.000) 19.140 8.301 ( -1.540 20.136 0.000) 20.195 8.404 ( 0.879 17.368 0.000) 17.390 8.748 ( 2.060 6.378 0.000) 6.703 8.816 ( 4.431 21.139 0.000) 21.599 9.006 ( -3.628 2.364 0.000) 4.330 9.537 ( -1.566 15.947 0.000) 16.023 9.550 ( -3.875 6.522 0.000) 7.587 9.600 ( -4.807 13.927 0.000) 14.733 9.695 ( -0.357 9.487 0.000) 9.494 9.839 ( 0.378 1.646 0.000) 1.689 10.000 ( 5.148 6.234 0.000) 8.085 10.160 ( 4.511 11.095 0.000) 11.977 10.197 ( 7.375 12.862 0.000) 14.826 10.358 ( 0.884 12.590 0.000) 12.621 10.605 ( -2.183 -20.232 0.000) 20.349 10.650 ( 0.102 -20.519 0.000) 20.519 10.682 ( -4.333 -17.682 0.000) 18.205 10.806 ( -4.701 -16.368 0.000) 17.029 10.961 ( -2.508 -13.996 0.000) 14.219 10.975 ( -9.405 4.747 0.000) 10.536 11.098 ( -3.591 16.983 0.000) 17.359 11.292 ( 5.429 -4.851 0.000) 7.280 11.649 ( -5.016 8.984 0.000) 10.290 11.750 ( -0.022 7.948 0.000) 7.948 11.998 ( -5.483 9.482 0.000) 10.953 12.167 ( 0.565 1.141 0.000) 1.273 12.283 ( 4.490 5.006 0.000) 6.725 12.482 ( -7.313 15.191 0.000) 16.860 12.569 ( -1.893 -0.495 0.000) 1.957 13.148 ( 5.317 -16.936 0.000) 17.751 13.285 ( -1.163 -7.001 0.000) 7.097 13.499 ( 6.873 -5.606 0.000) 8.869 13.746 ( -0.117 -5.528 0.000) 5.529 14.779 ( 2.790 0.720 0.000) 2.881 14.813 ( 9.870 -2.642 0.000) 10.218 14.963 ( -2.257 -5.880 0.000) 6.298 15.520 ( -6.670 -13.091 0.000) 14.693 15.522 ( 4.817 14.267 0.000) 15.058 15.794 ( 0.217 8.921 0.000) 8.924 15.865 ( -1.765 5.617 0.000) 5.888 15.887 ( -1.026 4.803 0.000) 4.911 16.579 ( 2.210 -11.496 0.000) 11.706 16.651 ( 3.782 -10.319 0.000) 10.990 16.713 ( -1.036 -2.658 0.000) 2.853 17.544 ( -15.960 -13.489 0.000) 20.897 17.815 ( 0.632 15.411 0.000) 15.424 17.978 ( -10.151 7.275 0.000) 12.489 19.548 ( 6.721 -11.365 0.000) 13.203 19.681 ( 0.129 -17.366 0.000) 17.367 21.666 ( 0.982 3.234 0.000) 3.380 21.819 ( 3.700 2.980 0.000) 4.751 21.962 ( -5.971 8.053 0.000) 10.025 22.060 ( -2.236 10.395 0.000) 10.633 23.780 ( -0.885 0.631 0.000) 1.087 23.942 ( -3.058 -11.359 0.000) 11.763 24.083 ( 9.994 -9.370 0.000) 13.700 24.291 ( 2.679 -19.920 0.000) 20.099 ======================= Grid point 22 (15/72) ======================= q-point: ( 0.40 0.29 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.86e-04 2.86e-04 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.292 ( 0.218 18.483 0.000) 18.484 2.375 ( -8.510 10.284 0.000) 13.349 2.531 ( 5.509 16.718 0.000) 17.602 2.652 ( -6.514 12.765 0.000) 14.331 2.883 ( 2.575 11.898 0.000) 12.174 2.885 ( 1.593 7.164 0.000) 7.339 2.996 ( -0.429 6.527 0.000) 6.541 3.030 ( -3.128 12.380 0.000) 12.769 3.306 ( 1.238 8.817 0.000) 8.903 3.330 ( -0.101 6.810 0.000) 6.811 3.441 ( 5.638 7.486 0.000) 9.371 3.557 ( -3.110 0.722 0.000) 3.192 3.636 ( 3.958 7.879 0.000) 8.817 3.727 ( -4.470 1.868 0.000) 4.845 3.869 ( 3.905 12.535 0.000) 13.129 3.986 ( -6.927 6.591 0.000) 9.561 4.009 ( 4.702 11.294 0.000) 12.234 4.070 ( 5.856 9.756 0.000) 11.378 4.168 ( 2.847 2.518 0.000) 3.801 4.339 ( -7.423 10.038 0.000) 12.485 4.906 ( 3.819 10.586 0.000) 11.253 4.998 ( -4.983 12.445 0.000) 13.405 5.124 ( 4.617 4.447 0.000) 6.410 5.187 ( -1.434 8.997 0.000) 9.110 5.699 ( 3.365 -4.424 0.000) 5.558 5.777 ( -3.975 -3.305 0.000) 5.170 5.914 ( 2.093 0.837 0.000) 2.255 5.942 ( -1.026 -0.013 0.000) 1.026 6.878 ( -1.516 5.789 0.000) 5.985 6.895 ( -2.975 7.741 0.000) 8.293 7.156 ( 11.301 6.707 0.000) 13.142 7.170 ( 5.979 7.920 0.000) 9.923 7.362 ( -0.231 2.302 0.000) 2.313 7.429 ( -0.161 8.022 0.000) 8.024 7.529 ( 3.743 20.457 0.000) 20.796 7.640 ( -3.683 5.640 0.000) 6.736 7.690 ( -4.363 6.303 0.000) 7.665 7.748 ( -3.788 -3.604 0.000) 5.228 8.290 ( 0.584 19.658 0.000) 19.667 8.314 ( -1.132 18.150 0.000) 18.185 8.575 ( 14.633 21.496 0.000) 26.004 8.806 ( 3.879 3.279 0.000) 5.079 8.818 ( -6.686 22.527 0.000) 23.498 8.901 ( -6.579 2.015 0.000) 6.881 9.463 ( 2.495 13.937 0.000) 14.159 9.523 ( -2.371 12.723 0.000) 12.942 9.553 ( -1.554 10.353 0.000) 10.469 9.610 ( -7.012 12.736 0.000) 14.539 9.948 ( 10.329 -0.947 0.000) 10.372 10.125 ( -2.520 1.024 0.000) 2.720 10.243 ( 9.187 3.067 0.000) 9.686 10.309 ( 3.264 11.220 0.000) 11.685 10.379 ( 1.878 11.460 0.000) 11.613 10.516 ( -8.132 -5.066 0.000) 9.581 10.586 ( -1.458 -0.244 0.000) 1.478 10.631 ( -2.922 -14.324 0.000) 14.619 10.751 ( -0.828 -24.326 0.000) 24.340 10.789 ( -6.693 -9.343 0.000) 11.493 10.969 ( 1.818 -8.373 0.000) 8.568 11.019 ( -3.557 5.360 0.000) 6.433 11.386 ( 5.066 -0.995 0.000) 5.163 11.510 ( -7.741 5.888 0.000) 9.726 11.786 ( 3.528 7.533 0.000) 8.319 11.880 ( -5.957 8.876 0.000) 10.690 12.216 ( 4.419 5.877 0.000) 7.353 12.332 ( -7.365 10.917 0.000) 13.169 12.386 ( 5.713 2.735 0.000) 6.334 12.494 ( -5.207 0.505 0.000) 5.231 13.245 ( 3.929 -14.727 0.000) 15.242 13.285 ( -0.249 -11.691 0.000) 11.693 13.626 ( 6.077 -2.798 0.000) 6.690 13.719 ( -3.089 -3.567 0.000) 4.718 14.835 ( 3.368 -1.028 0.000) 3.521 14.904 ( -3.560 -3.670 0.000) 5.113 15.066 ( 14.475 -5.739 0.000) 15.571 15.332 ( -12.283 -9.593 0.000) 15.585 15.645 ( 7.277 14.989 0.000) 16.662 15.768 ( -4.362 13.212 0.000) 13.913 15.839 ( 0.323 3.881 0.000) 3.895 15.862 ( -1.495 4.273 0.000) 4.527 16.635 ( 2.975 -2.207 0.000) 3.704 16.683 ( -1.996 -1.941 0.000) 2.784 16.789 ( 11.717 -17.952 0.000) 21.437 17.126 ( -22.390 -17.117 0.000) 28.184 17.834 ( 1.249 15.580 0.000) 15.630 17.868 ( -2.715 15.462 0.000) 15.699 19.647 ( 3.182 -15.253 0.000) 15.581 19.679 ( -0.529 -16.849 0.000) 16.857 21.714 ( 4.230 6.934 0.000) 8.123 21.827 ( -7.078 8.562 0.000) 11.109 21.906 ( 4.889 4.957 0.000) 6.962 21.996 ( -4.172 7.895 0.000) 8.930 23.804 ( 2.929 -2.899 0.000) 4.121 23.873 ( -3.831 -7.778 0.000) 8.670 24.252 ( 6.543 -15.763 0.000) 17.067 24.320 ( -0.496 -19.026 0.000) 19.032 ======================= Grid point 25 (16/72) ======================= q-point: ( 0.00 0.36 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.86e-04 2.86e-04 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 63 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.713 ( 0.000 8.009 0.000) 8.009 2.793 ( 0.000 16.506 0.000) 16.506 2.836 ( 0.000 3.810 0.000) 3.810 2.960 ( 0.000 5.586 0.000) 5.586 2.976 ( 0.000 -4.055 0.000) 4.055 2.993 ( 0.000 10.617 0.000) 10.617 3.046 ( 0.000 10.016 0.000) 10.016 3.224 ( 0.000 7.336 0.000) 7.336 3.266 ( 0.000 4.443 0.000) 4.443 3.459 ( 0.000 8.366 0.000) 8.366 3.532 ( 0.000 -0.124 0.000) 0.124 3.554 ( 0.000 2.041 0.000) 2.041 3.661 ( 0.000 8.535 0.000) 8.535 3.689 ( 0.000 2.392 0.000) 2.392 3.755 ( 0.000 -4.879 0.000) 4.879 4.076 ( 0.000 0.553 0.000) 0.553 4.293 ( 0.000 5.607 0.000) 5.607 4.355 ( 0.000 21.481 0.000) 21.481 4.413 ( 0.000 7.493 0.000) 7.493 4.691 ( 0.000 11.820 0.000) 11.820 4.974 ( 0.000 0.450 0.000) 0.450 5.011 ( 0.000 5.372 0.000) 5.372 5.199 ( 0.000 4.436 0.000) 4.436 5.317 ( 0.000 3.674 0.000) 3.674 5.678 ( 0.000 7.542 0.000) 7.542 5.871 ( 0.000 0.807 0.000) 0.807 5.886 ( 0.000 3.930 0.000) 3.930 6.054 ( 0.000 2.995 0.000) 2.995 6.884 ( 0.000 3.165 0.000) 3.165 7.099 ( 0.000 7.190 0.000) 7.190 7.136 ( 0.000 1.533 0.000) 1.533 7.170 ( 0.000 3.648 0.000) 3.648 7.185 ( 0.000 7.454 0.000) 7.454 7.536 ( 0.000 4.284 0.000) 4.284 7.584 ( 0.000 11.428 0.000) 11.428 7.749 ( 0.000 5.785 0.000) 5.785 8.016 ( 0.000 10.509 0.000) 10.509 8.100 ( 0.000 0.030 0.000) 0.030 8.388 ( 0.000 11.442 0.000) 11.442 8.687 ( 0.000 14.631 0.000) 14.631 8.738 ( 0.000 17.777 0.000) 17.777 8.905 ( 0.000 9.090 0.000) 9.090 9.031 ( 0.000 -2.063 0.000) 2.063 9.188 ( 0.000 20.247 0.000) 20.247 9.606 ( 0.000 3.781 0.000) 3.781 9.655 ( 0.000 -23.447 0.000) 23.447 9.683 ( 0.000 -0.084 0.000) 0.084 9.753 ( 0.000 4.437 0.000) 4.437 9.934 ( 0.000 -27.231 0.000) 27.231 10.059 ( 0.000 1.711 0.000) 1.711 10.061 ( 0.000 4.236 0.000) 4.236 10.165 ( 0.000 -0.717 0.000) 0.717 10.377 ( 0.000 -4.161 0.000) 4.161 10.478 ( 0.000 12.496 0.000) 12.496 10.550 ( 0.000 -1.912 0.000) 1.912 10.657 ( 0.000 14.200 0.000) 14.200 10.682 ( 0.000 1.918 0.000) 1.918 10.840 ( 0.000 -3.759 0.000) 3.759 11.098 ( 0.000 -3.179 0.000) 3.179 11.272 ( 0.000 11.882 0.000) 11.882 11.543 ( 0.000 11.203 0.000) 11.203 11.870 ( 0.000 16.066 0.000) 16.066 11.917 ( 0.000 4.743 0.000) 4.743 12.286 ( 0.000 12.795 0.000) 12.795 12.286 ( 0.000 -2.434 0.000) 2.434 12.333 ( 0.000 14.659 0.000) 14.659 12.501 ( 0.000 -6.450 0.000) 6.450 12.711 ( 0.000 -16.439 0.000) 16.439 12.869 ( 0.000 12.095 0.000) 12.095 13.194 ( 0.000 -8.225 0.000) 8.225 13.303 ( 0.000 -2.711 0.000) 2.711 13.600 ( 0.000 -8.389 0.000) 8.389 14.604 ( 0.000 -6.227 0.000) 6.227 14.723 ( 0.000 -5.536 0.000) 5.536 14.857 ( 0.000 -5.667 0.000) 5.667 15.299 ( 0.000 -14.326 0.000) 14.326 15.800 ( 0.000 18.887 0.000) 18.887 15.929 ( 0.000 6.622 0.000) 6.622 15.986 ( 0.000 4.564 0.000) 4.564 16.004 ( 0.000 6.951 0.000) 6.951 16.287 ( 0.000 -8.712 0.000) 8.712 16.620 ( 0.000 1.678 0.000) 1.678 16.736 ( 0.000 2.947 0.000) 2.947 17.391 ( 0.000 -18.511 0.000) 18.511 18.115 ( 0.000 16.015 0.000) 16.015 18.246 ( 0.000 12.250 0.000) 12.250 19.272 ( 0.000 -11.418 0.000) 11.418 19.341 ( 0.000 -17.066 0.000) 17.066 21.656 ( 0.000 -0.811 0.000) 0.811 21.775 ( 0.000 -2.519 0.000) 2.519 22.071 ( 0.000 -1.413 0.000) 1.413 22.192 ( 0.000 0.106 0.000) 0.106 23.779 ( 0.000 -7.742 0.000) 7.742 23.820 ( 0.000 -0.436 0.000) 0.436 23.886 ( 0.000 -2.132 0.000) 2.132 23.926 ( 0.000 -13.509 0.000) 13.509 ======================= Grid point 26 (17/72) ======================= q-point: ( 0.20 0.36 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.86e-04 2.86e-04 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 105 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.644 ( -6.051 3.102 0.000) 6.800 2.740 ( -5.018 17.271 0.000) 17.986 2.785 ( 0.189 13.840 0.000) 13.842 2.940 ( -2.366 8.666 0.000) 8.983 2.985 ( -0.013 6.852 0.000) 6.852 3.061 ( 1.012 9.180 0.000) 9.236 3.068 ( 3.255 -0.580 0.000) 3.307 3.279 ( 0.468 6.030 0.000) 6.048 3.284 ( 6.635 2.935 0.000) 7.255 3.435 ( -1.718 7.118 0.000) 7.322 3.539 ( 0.328 -1.025 0.000) 1.076 3.546 ( -0.746 4.306 0.000) 4.370 3.698 ( 3.496 7.234 0.000) 8.035 3.725 ( 1.853 -2.991 0.000) 3.519 3.829 ( 8.700 -2.397 0.000) 9.024 4.067 ( -1.351 0.320 0.000) 1.388 4.240 ( -4.384 6.978 0.000) 8.241 4.272 ( -5.623 17.902 0.000) 18.764 4.375 ( -3.741 6.978 0.000) 7.917 4.671 ( -5.916 9.278 0.000) 11.003 4.993 ( 5.342 5.246 0.000) 7.488 5.090 ( 6.184 5.975 0.000) 8.598 5.228 ( 1.882 6.235 0.000) 6.513 5.341 ( 2.273 4.950 0.000) 5.447 5.663 ( -1.301 5.718 0.000) 5.864 5.835 ( -3.171 1.794 0.000) 3.644 5.903 ( 0.927 0.837 0.000) 1.249 6.014 ( -3.626 2.233 0.000) 4.258 6.933 ( 3.404 3.146 0.000) 4.635 7.095 ( 2.871 6.607 0.000) 7.204 7.112 ( -2.204 7.708 0.000) 8.017 7.182 ( 3.456 6.419 0.000) 7.290 7.319 ( 8.657 -0.032 0.000) 8.657 7.532 ( 1.730 5.741 0.000) 5.996 7.645 ( 2.261 7.954 0.000) 8.269 7.730 ( -1.347 6.783 0.000) 6.916 7.923 ( -6.727 8.019 0.000) 10.467 8.032 ( -5.964 2.651 0.000) 6.527 8.541 ( 11.471 13.061 0.000) 17.383 8.683 ( -0.457 15.983 0.000) 15.989 8.761 ( 3.020 18.076 0.000) 18.326 8.900 ( -0.036 8.563 0.000) 8.563 8.991 ( -3.769 -2.227 0.000) 4.378 9.219 ( 2.040 17.349 0.000) 17.469 9.652 ( 0.389 -18.544 0.000) 18.548 9.661 ( 3.469 4.232 0.000) 5.472 9.727 ( 0.446 4.018 0.000) 4.043 9.772 ( 6.417 -0.049 0.000) 6.418 9.937 ( 0.520 -23.322 0.000) 23.328 9.967 ( -5.304 1.101 0.000) 5.417 9.983 ( -7.707 6.766 0.000) 10.256 10.208 ( 2.540 -5.167 0.000) 5.757 10.351 ( -0.155 -10.068 0.000) 10.069 10.387 ( -11.144 1.125 0.000) 11.201 10.557 ( 5.272 11.159 0.000) 12.341 10.654 ( -4.314 -5.072 0.000) 6.659 10.730 ( 0.834 3.217 0.000) 3.324 10.887 ( 8.091 14.464 0.000) 16.574 10.992 ( -10.522 -2.457 0.000) 10.805 11.330 ( 5.562 10.243 0.000) 11.656 11.469 ( -7.460 14.279 0.000) 16.110 11.824 ( -0.998 7.115 0.000) 7.185 11.937 ( -3.339 12.434 0.000) 12.874 12.166 ( -7.012 4.357 0.000) 8.256 12.273 ( -1.070 7.752 0.000) 7.825 12.372 ( 4.011 5.236 0.000) 6.596 12.528 ( 0.496 -1.443 0.000) 1.526 12.634 ( -6.801 -4.021 0.000) 7.900 12.929 ( 4.910 0.367 0.000) 4.923 13.140 ( -3.006 -6.524 0.000) 7.183 13.410 ( 7.773 -4.553 0.000) 9.008 13.615 ( 1.078 -7.934 0.000) 8.007 14.697 ( 8.319 -7.103 0.000) 10.938 14.737 ( 1.816 -5.487 0.000) 5.779 14.844 ( -1.345 -5.550 0.000) 5.711 15.251 ( -4.902 -13.714 0.000) 14.564 15.848 ( 4.488 18.019 0.000) 18.569 15.924 ( -0.236 6.282 0.000) 6.287 15.973 ( -1.164 4.638 0.000) 4.782 16.010 ( 0.295 7.730 0.000) 7.736 16.335 ( 5.254 -8.672 0.000) 10.139 16.633 ( 1.286 1.746 0.000) 2.169 16.726 ( -0.966 2.773 0.000) 2.936 17.225 ( -15.899 -15.823 0.000) 22.431 18.122 ( 0.704 16.017 0.000) 16.032 18.217 ( -2.390 14.172 0.000) 14.372 19.305 ( 2.639 -13.376 0.000) 13.634 19.345 ( 0.370 -16.981 0.000) 16.985 21.683 ( 2.904 -0.522 0.000) 2.950 21.820 ( 4.387 -2.412 0.000) 5.006 22.018 ( -5.077 -0.937 0.000) 5.162 22.155 ( -3.737 -0.351 0.000) 3.753 23.767 ( -0.741 -6.672 0.000) 6.713 23.787 ( -1.748 0.153 0.000) 1.755 23.945 ( 4.105 -5.325 0.000) 6.723 23.965 ( 3.105 -13.410 0.000) 13.764 ======================= Grid point 27 (18/72) ======================= q-point: ( 0.40 0.36 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.86e-04 2.86e-04 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 105 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.576 ( -0.185 10.315 0.000) 10.317 2.631 ( -5.211 16.012 0.000) 16.838 2.819 ( 2.706 13.168 0.000) 13.443 2.880 ( -3.413 11.012 0.000) 11.528 3.000 ( 1.497 4.640 0.000) 4.876 3.037 ( -2.111 3.627 0.000) 4.197 3.150 ( 4.992 8.653 0.000) 9.990 3.245 ( -4.077 9.011 0.000) 9.891 3.405 ( 4.053 1.209 0.000) 4.230 3.425 ( 0.592 3.698 0.000) 3.746 3.528 ( -0.643 1.429 0.000) 1.567 3.535 ( -0.763 -1.999 0.000) 2.140 3.764 ( 2.198 2.145 0.000) 3.071 3.769 ( 2.585 5.294 0.000) 5.891 3.996 ( 3.556 -4.733 0.000) 5.920 4.018 ( -2.411 1.993 0.000) 3.128 4.219 ( 6.720 7.674 0.000) 10.200 4.225 ( 1.069 10.525 0.000) 10.579 4.288 ( -4.295 7.581 0.000) 8.713 4.463 ( -13.781 3.905 0.000) 14.323 5.129 ( 6.705 12.000 0.000) 13.746 5.224 ( -2.759 10.422 0.000) 10.781 5.239 ( 8.573 6.925 0.000) 11.021 5.361 ( -2.355 7.833 0.000) 8.180 5.661 ( 2.388 1.175 0.000) 2.661 5.749 ( -5.388 0.488 0.000) 5.410 5.917 ( 0.712 -0.862 0.000) 1.118 5.946 ( -2.659 0.060 0.000) 2.660 6.975 ( 2.031 6.449 0.000) 6.761 7.034 ( -4.088 7.743 0.000) 8.756 7.279 ( 13.521 4.260 0.000) 14.177 7.303 ( 7.024 4.079 0.000) 8.123 7.406 ( -0.979 3.005 0.000) 3.160 7.530 ( -7.866 6.762 0.000) 10.373 7.646 ( 2.751 2.725 0.000) 3.873 7.720 ( -1.631 5.203 0.000) 5.453 7.835 ( 0.492 7.568 0.000) 7.584 7.920 ( -5.354 8.025 0.000) 9.647 8.674 ( 1.773 18.421 0.000) 18.506 8.677 ( 0.155 18.073 0.000) 18.074 8.844 ( 2.747 3.023 0.000) 4.085 8.907 ( -4.242 -1.287 0.000) 4.433 8.992 ( 11.516 16.130 0.000) 19.819 9.193 ( -6.331 14.154 0.000) 15.505 9.678 ( 2.745 -4.683 0.000) 5.428 9.683 ( 2.371 7.075 0.000) 7.462 9.769 ( -4.739 0.941 0.000) 4.832 9.787 ( -6.250 9.739 0.000) 11.572 9.880 ( 6.677 -8.717 0.000) 10.980 9.964 ( 0.242 -6.731 0.000) 6.735 9.980 ( 4.852 -15.249 0.000) 16.002 10.159 ( -11.769 -3.175 0.000) 12.190 10.309 ( 8.894 -7.057 0.000) 11.354 10.375 ( 1.838 -11.890 0.000) 12.032 10.539 ( -4.084 -8.003 0.000) 8.985 10.615 ( -3.155 2.934 0.000) 4.308 10.737 ( -0.612 8.483 0.000) 8.505 10.755 ( -8.528 3.843 0.000) 9.354 11.081 ( 10.737 16.369 0.000) 19.577 11.288 ( -10.457 15.876 0.000) 19.010 11.483 ( 10.267 10.945 0.000) 15.007 11.710 ( -11.929 12.622 0.000) 17.367 11.914 ( 4.217 4.604 0.000) 6.244 12.028 ( -6.875 4.219 0.000) 8.066 12.340 ( 6.339 5.615 0.000) 8.468 12.445 ( 3.499 3.998 0.000) 5.313 12.484 ( -8.070 3.080 0.000) 8.638 12.505 ( -2.471 1.723 0.000) 3.012 13.024 ( 4.329 -5.626 0.000) 7.099 13.090 ( -2.622 -6.734 0.000) 7.226 13.548 ( 5.732 -5.552 0.000) 7.980 13.617 ( -1.421 -6.864 0.000) 7.009 14.766 ( 2.116 -5.288 0.000) 5.696 14.809 ( -2.159 -5.324 0.000) 5.746 14.908 ( 11.407 -9.406 0.000) 14.785 15.113 ( -9.222 -11.927 0.000) 15.076 15.927 ( 0.599 5.644 0.000) 5.676 15.938 ( 2.260 10.807 0.000) 11.041 15.952 ( 0.890 8.704 0.000) 8.750 16.002 ( -1.465 10.126 0.000) 10.231 16.512 ( 13.634 -8.452 0.000) 16.042 16.666 ( 1.896 2.078 0.000) 2.813 16.700 ( -1.718 2.203 0.000) 2.794 16.853 ( -20.243 -10.245 0.000) 22.688 18.142 ( 1.329 15.989 0.000) 16.045 18.173 ( -1.958 15.680 0.000) 15.801 19.345 ( 1.145 -15.693 0.000) 15.734 19.352 ( 0.217 -16.655 0.000) 16.656 21.768 ( 5.760 -0.035 0.000) 5.760 21.896 ( -7.006 -0.160 0.000) 7.008 21.930 ( 6.495 -2.060 0.000) 6.814 22.056 ( -6.154 -1.302 0.000) 6.290 23.759 ( -0.026 -4.072 0.000) 4.072 23.765 ( -0.637 -1.300 0.000) 1.448 24.009 ( 2.045 -9.659 0.000) 9.873 24.015 ( 1.466 -12.460 0.000) 12.546 ======================= Grid point 30 (19/72) ======================= q-point: ( 0.00 0.43 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.86e-04 2.86e-04 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.725 ( 0.000 -0.623 0.000) 0.623 2.854 ( 0.000 -6.739 0.000) 6.739 2.988 ( 0.000 5.312 0.000) 5.312 3.029 ( 0.000 10.404 0.000) 10.404 3.038 ( 0.000 2.288 0.000) 2.288 3.187 ( 0.000 3.631 0.000) 3.631 3.238 ( 0.000 12.050 0.000) 12.050 3.329 ( 0.000 2.478 0.000) 2.478 3.355 ( 0.000 6.349 0.000) 6.349 3.521 ( 0.000 -0.153 0.000) 0.153 3.577 ( 0.000 3.134 0.000) 3.134 3.608 ( 0.000 2.256 0.000) 2.256 3.631 ( 0.000 -6.557 0.000) 6.557 3.704 ( 0.000 -0.704 0.000) 0.704 3.799 ( 0.000 5.662 0.000) 5.662 4.016 ( 0.000 -5.699 0.000) 5.699 4.407 ( 0.000 5.668 0.000) 5.668 4.504 ( 0.000 1.966 0.000) 1.966 4.699 ( 0.000 13.986 0.000) 13.986 4.874 ( 0.000 6.791 0.000) 6.791 4.999 ( 0.000 1.474 0.000) 1.474 5.051 ( 0.000 -1.338 0.000) 1.338 5.282 ( 0.000 3.870 0.000) 3.870 5.344 ( 0.000 0.402 0.000) 0.402 5.865 ( 0.000 9.645 0.000) 9.645 5.900 ( 0.000 1.931 0.000) 1.931 5.936 ( 0.000 1.001 0.000) 1.001 6.078 ( 0.000 -0.807 0.000) 0.807 7.014 ( 0.000 9.857 0.000) 9.857 7.214 ( 0.000 0.552 0.000) 0.552 7.243 ( 0.000 7.044 0.000) 7.044 7.246 ( 0.000 9.598 0.000) 9.598 7.311 ( 0.000 4.706 0.000) 4.706 7.702 ( 0.000 12.223 0.000) 12.223 7.752 ( 0.000 -6.156 0.000) 6.156 7.764 ( 0.000 7.220 0.000) 7.220 8.069 ( 0.000 -1.822 0.000) 1.822 8.219 ( 0.000 10.126 0.000) 10.126 8.526 ( 0.000 0.365 0.000) 0.365 8.613 ( 0.000 -19.816 0.000) 19.816 9.034 ( 0.000 6.470 0.000) 6.470 9.036 ( 0.000 3.433 0.000) 3.433 9.189 ( 0.000 15.927 0.000) 15.927 9.236 ( 0.000 -5.028 0.000) 5.028 9.429 ( 0.000 3.597 0.000) 3.597 9.557 ( 0.000 -9.261 0.000) 9.261 9.644 ( 0.000 -5.318 0.000) 5.318 9.711 ( 0.000 7.908 0.000) 7.908 9.837 ( 0.000 3.292 0.000) 3.292 9.888 ( 0.000 -14.633 0.000) 14.633 10.106 ( 0.000 -2.183 0.000) 2.183 10.146 ( 0.000 4.024 0.000) 4.024 10.493 ( 0.000 -3.022 0.000) 3.022 10.543 ( 0.000 -10.332 0.000) 10.332 10.600 ( 0.000 18.695 0.000) 18.695 10.678 ( 0.000 7.356 0.000) 7.356 10.773 ( 0.000 8.421 0.000) 8.421 10.997 ( 0.000 -5.421 0.000) 5.421 11.075 ( 0.000 7.980 0.000) 7.980 11.468 ( 0.000 -14.319 0.000) 14.319 11.572 ( 0.000 15.784 0.000) 15.784 12.029 ( 0.000 7.639 0.000) 7.639 12.079 ( 0.000 -14.927 0.000) 14.927 12.293 ( 0.000 21.131 0.000) 21.131 12.366 ( 0.000 -7.119 0.000) 7.119 12.514 ( 0.000 9.126 0.000) 9.126 12.566 ( 0.000 -0.299 0.000) 0.299 12.575 ( 0.000 7.724 0.000) 7.724 13.041 ( 0.000 7.033 0.000) 7.033 13.086 ( 0.000 -2.157 0.000) 2.157 13.228 ( 0.000 -5.216 0.000) 5.216 13.418 ( 0.000 -10.402 0.000) 10.402 14.506 ( 0.000 -3.087 0.000) 3.087 14.591 ( 0.000 -6.793 0.000) 6.793 14.798 ( 0.000 0.198 0.000) 0.198 15.048 ( 0.000 -11.282 0.000) 11.282 16.060 ( 0.000 6.569 0.000) 6.569 16.074 ( 0.000 4.115 0.000) 4.115 16.122 ( 0.000 7.926 0.000) 7.926 16.124 ( 0.000 4.599 0.000) 4.599 16.235 ( 0.000 7.519 0.000) 7.519 16.615 ( 0.000 -3.222 0.000) 3.222 16.803 ( 0.000 3.720 0.000) 3.720 17.079 ( 0.000 -12.949 0.000) 12.949 18.425 ( 0.000 15.849 0.000) 15.849 18.504 ( 0.000 13.642 0.000) 13.642 19.024 ( 0.000 -15.629 0.000) 15.629 19.030 ( 0.000 -13.208 0.000) 13.208 21.643 ( 0.000 -0.156 0.000) 0.156 21.711 ( 0.000 -3.446 0.000) 3.446 22.025 ( 0.000 -1.968 0.000) 1.968 22.124 ( 0.000 -5.573 0.000) 5.573 23.674 ( 0.000 -3.176 0.000) 3.176 23.733 ( 0.000 -6.721 0.000) 6.721 23.812 ( 0.000 -0.142 0.000) 0.142 23.849 ( 0.000 -1.796 0.000) 1.796 ======================= Grid point 31 (20/72) ======================= q-point: ( 0.20 0.43 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.86e-04 2.86e-04 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.707 ( 0.548 4.051 0.000) 4.088 2.953 ( 6.816 -6.429 0.000) 9.370 2.965 ( -2.384 6.627 0.000) 7.043 3.034 ( 0.575 9.324 0.000) 9.342 3.041 ( 0.308 2.143 0.000) 2.165 3.189 ( -4.287 12.423 0.000) 13.142 3.198 ( 1.435 3.232 0.000) 3.536 3.355 ( 2.052 2.551 0.000) 3.274 3.362 ( 1.241 4.836 0.000) 4.993 3.501 ( -2.407 -0.999 0.000) 2.606 3.543 ( -2.845 1.709 0.000) 3.319 3.572 ( -3.330 -3.375 0.000) 4.741 3.684 ( 5.716 0.705 0.000) 5.759 3.776 ( 5.915 -2.628 0.000) 6.472 3.814 ( 1.503 4.869 0.000) 5.096 4.009 ( -0.768 -5.353 0.000) 5.408 4.373 ( -2.646 6.156 0.000) 6.701 4.465 ( -3.536 2.230 0.000) 4.180 4.546 ( -9.699 10.894 0.000) 14.586 4.758 ( -11.817 0.372 0.000) 11.822 5.117 ( 12.688 6.769 0.000) 14.381 5.199 ( 8.674 3.878 0.000) 9.501 5.331 ( 4.200 4.251 0.000) 5.976 5.388 ( 4.020 1.009 0.000) 4.145 5.825 ( -3.926 8.952 0.000) 9.775 5.874 ( -3.188 1.708 0.000) 3.616 5.903 ( -2.319 -0.457 0.000) 2.364 6.031 ( -4.538 -0.900 0.000) 4.626 7.081 ( 5.576 10.941 0.000) 12.281 7.212 ( 1.741 5.226 0.000) 5.508 7.253 ( -1.182 6.159 0.000) 6.271 7.288 ( 0.223 4.140 0.000) 4.146 7.337 ( 7.311 2.588 0.000) 7.755 7.714 ( 2.525 12.971 0.000) 13.215 7.747 ( 0.342 -5.893 0.000) 5.903 7.795 ( -0.136 7.543 0.000) 7.544 8.037 ( -2.501 -1.427 0.000) 2.880 8.116 ( -7.513 12.150 0.000) 14.285 8.611 ( 0.099 -20.348 0.000) 20.349 8.656 ( 8.490 -6.290 0.000) 10.566 8.987 ( -2.090 5.385 0.000) 5.776 9.088 ( 3.782 7.283 0.000) 8.207 9.148 ( -3.387 15.229 0.000) 15.601 9.321 ( 8.299 -1.040 0.000) 8.364 9.412 ( -3.198 0.835 0.000) 3.305 9.587 ( 3.866 -4.291 0.000) 5.776 9.718 ( 6.602 -6.487 0.000) 9.256 9.746 ( 3.115 4.389 0.000) 5.382 9.802 ( -1.232 1.913 0.000) 2.276 9.926 ( 2.200 -11.477 0.000) 11.686 10.067 ( -6.377 5.527 0.000) 8.438 10.114 ( 0.419 -2.862 0.000) 2.893 10.378 ( -9.982 -1.935 0.000) 10.167 10.465 ( -9.666 15.617 0.000) 18.367 10.473 ( -5.580 -9.957 0.000) 11.414 10.721 ( -0.593 4.727 0.000) 4.764 10.830 ( 4.027 8.452 0.000) 9.362 10.935 ( -4.846 -0.393 0.000) 4.862 11.157 ( 6.860 5.986 0.000) 9.104 11.463 ( -1.025 -12.593 0.000) 12.635 11.611 ( 4.277 14.958 0.000) 15.557 11.964 ( -4.583 7.944 0.000) 9.171 12.049 ( -2.741 -11.988 0.000) 12.297 12.224 ( -10.655 6.017 0.000) 12.236 12.354 ( 3.561 8.718 0.000) 9.417 12.518 ( 0.332 6.618 0.000) 6.626 12.567 ( -0.412 1.080 0.000) 1.156 12.592 ( 0.450 4.847 0.000) 4.868 13.034 ( -0.292 7.159 0.000) 7.165 13.073 ( -0.792 0.286 0.000) 0.842 13.299 ( 5.845 -7.029 0.000) 9.142 13.435 ( 1.372 -10.629 0.000) 10.717 14.577 ( 6.520 -4.344 0.000) 7.835 14.616 ( 2.687 -5.842 0.000) 6.430 14.781 ( -1.709 -0.216 0.000) 1.722 15.011 ( -3.843 -10.781 0.000) 11.445 16.053 ( -0.504 6.597 0.000) 6.617 16.065 ( -0.706 4.517 0.000) 4.572 16.130 ( 0.627 6.088 0.000) 6.120 16.132 ( 0.611 4.193 0.000) 4.237 16.295 ( 6.188 7.566 0.000) 9.775 16.633 ( 1.811 -2.748 0.000) 3.291 16.785 ( -1.849 2.870 0.000) 3.414 16.975 ( -10.040 -9.684 0.000) 13.949 18.431 ( 0.619 15.777 0.000) 15.789 18.493 ( -0.954 14.170 0.000) 14.202 19.028 ( 0.453 -15.627 0.000) 15.634 19.038 ( 0.627 -14.013 0.000) 14.027 21.672 ( 3.033 -0.089 0.000) 3.035 21.753 ( 4.056 -3.856 0.000) 5.597 21.981 ( -4.267 -1.583 0.000) 4.551 22.084 ( -4.006 -5.520 0.000) 6.820 23.681 ( 0.997 -2.278 0.000) 2.486 23.768 ( 3.019 -7.149 0.000) 7.760 23.791 ( -1.691 0.399 0.000) 1.737 23.862 ( 0.725 -3.421 0.000) 3.497 ======================= Grid point 32 (21/72) ======================= q-point: ( 0.40 0.43 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.86e-04 2.86e-04 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.770 ( 5.598 9.643 0.000) 11.150 2.889 ( -5.592 10.026 0.000) 11.480 3.038 ( 1.912 3.148 0.000) 3.684 3.048 ( 0.325 1.436 0.000) 1.472 3.055 ( 1.367 4.580 0.000) 4.779 3.103 ( -3.882 10.919 0.000) 11.589 3.267 ( 5.747 2.223 0.000) 6.162 3.372 ( -2.732 4.482 0.000) 5.249 3.406 ( 2.849 0.176 0.000) 2.854 3.440 ( -1.521 -2.747 0.000) 3.140 3.493 ( -1.987 -2.249 0.000) 3.001 3.508 ( -2.952 -2.991 0.000) 4.202 3.802 ( 5.252 1.682 0.000) 5.515 3.844 ( 0.764 2.870 0.000) 2.970 3.896 ( 5.539 -4.382 0.000) 7.063 3.977 ( -2.864 -4.421 0.000) 5.268 4.356 ( 2.099 5.816 0.000) 6.183 4.403 ( -2.334 4.990 0.000) 5.509 4.403 ( -3.408 6.392 0.000) 7.243 4.520 ( -11.464 1.638 0.000) 11.580 5.336 ( 6.586 8.254 0.000) 10.560 5.366 ( 9.918 5.551 0.000) 11.365 5.390 ( 0.664 6.540 0.000) 6.574 5.464 ( 1.598 2.681 0.000) 3.121 5.742 ( -2.883 6.258 0.000) 6.890 5.779 ( -5.334 2.164 0.000) 5.756 5.881 ( 0.339 -2.568 0.000) 2.590 5.931 ( -4.701 -1.956 0.000) 5.092 7.149 ( 1.903 10.486 0.000) 10.658 7.195 ( -3.076 7.952 0.000) 8.526 7.311 ( 5.227 0.281 0.000) 5.234 7.329 ( 1.994 -0.123 0.000) 1.998 7.485 ( 8.560 4.965 0.000) 9.895 7.682 ( -9.730 7.292 0.000) 12.159 7.807 ( 5.318 13.732 0.000) 14.726 7.808 ( 5.677 -2.598 0.000) 6.243 7.976 ( -6.261 12.834 0.000) 14.280 7.978 ( -4.445 -0.956 0.000) 4.547 8.640 ( 3.361 -19.592 0.000) 19.879 8.716 ( -2.620 -17.755 0.000) 17.947 9.001 ( 3.500 14.209 0.000) 14.634 9.077 ( -3.874 14.970 0.000) 15.463 9.189 ( 6.360 3.353 0.000) 7.190 9.315 ( -6.189 -0.168 0.000) 6.192 9.529 ( 11.679 4.105 0.000) 12.380 9.654 ( 0.566 1.428 0.000) 1.536 9.785 ( 1.568 -0.716 0.000) 1.723 9.807 ( 0.452 -3.318 0.000) 3.349 9.849 ( 3.697 1.128 0.000) 3.865 9.933 ( -5.954 1.586 0.000) 6.162 9.966 ( 3.876 -5.788 0.000) 6.966 10.114 ( -7.363 -5.295 0.000) 9.069 10.238 ( 2.974 1.658 0.000) 3.405 10.304 ( -5.069 7.753 0.000) 9.263 10.393 ( 0.100 -6.666 0.000) 6.666 10.570 ( -13.131 -4.513 0.000) 13.885 10.886 ( 1.430 9.440 0.000) 9.547 10.893 ( 0.009 9.509 0.000) 9.509 11.293 ( 6.709 1.456 0.000) 6.865 11.407 ( -4.751 -5.764 0.000) 7.469 11.743 ( 9.169 12.137 0.000) 15.211 11.903 ( -3.366 4.715 0.000) 5.793 11.990 ( -2.829 -5.479 0.000) 6.166 12.007 ( -8.621 5.829 0.000) 10.406 12.432 ( 4.075 6.311 0.000) 7.512 12.502 ( -2.703 2.856 0.000) 3.932 12.561 ( 0.704 4.999 0.000) 5.049 12.583 ( -1.123 4.195 0.000) 4.343 13.041 ( 0.908 5.951 0.000) 6.020 13.059 ( -0.788 3.501 0.000) 3.589 13.404 ( 4.166 -9.319 0.000) 10.208 13.448 ( -0.509 -10.558 0.000) 10.571 14.669 ( 3.524 -3.597 0.000) 5.036 14.734 ( -3.041 -1.504 0.000) 3.392 14.743 ( 8.824 -6.963 0.000) 11.240 14.902 ( -7.204 -9.286 0.000) 11.753 16.047 ( -0.042 6.224 0.000) 6.224 16.052 ( -0.540 5.397 0.000) 5.424 16.140 ( 0.351 4.186 0.000) 4.201 16.141 ( 0.226 3.753 0.000) 3.760 16.471 ( 11.717 4.426 0.000) 12.525 16.681 ( 2.940 -1.346 0.000) 3.234 16.720 ( -10.365 -0.775 0.000) 10.394 16.747 ( -6.592 -0.798 0.000) 6.640 18.448 ( 1.078 15.529 0.000) 15.567 18.471 ( -1.246 15.004 0.000) 15.055 19.039 ( 0.545 -15.557 0.000) 15.567 19.045 ( 0.017 -15.120 0.000) 15.120 21.757 ( 5.540 -0.217 0.000) 5.544 21.856 ( 6.261 -4.636 0.000) 7.791 21.875 ( -6.226 -0.796 0.000) 6.276 21.981 ( -6.272 -5.245 0.000) 8.177 23.712 ( 2.062 -0.804 0.000) 2.213 23.754 ( -2.095 0.241 0.000) 2.109 23.827 ( 2.718 -7.122 0.000) 7.623 23.863 ( -0.840 -5.742 0.000) 5.803 ======================= Grid point 35 (22/72) ======================= q-point: ( 0.00 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.86e-04 2.86e-04 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 36 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.750 ( 0.000 -3.463 0.000) 3.463 2.750 ( 0.000 3.464 0.000) 3.464 3.048 ( 0.000 -1.218 0.000) 1.218 3.048 ( 0.000 1.218 0.000) 1.218 3.179 ( 0.000 -4.412 0.000) 4.412 3.179 ( 0.000 4.412 0.000) 4.412 3.358 ( 0.000 -0.410 0.000) 0.410 3.358 ( 0.000 0.410 0.000) 0.410 3.482 ( 0.000 -7.068 0.000) 7.068 3.482 ( 0.000 7.068 0.000) 7.068 3.566 ( 0.000 -3.698 0.000) 3.698 3.566 ( 0.000 3.698 0.000) 3.698 3.670 ( 0.000 -2.588 0.000) 2.588 3.670 ( 0.000 2.589 0.000) 2.589 3.899 ( 0.000 -5.428 0.000) 5.428 3.899 ( 0.000 5.428 0.000) 5.428 4.494 ( 0.000 -2.854 0.000) 2.854 4.494 ( 0.000 2.854 0.000) 2.854 4.902 ( 0.000 -6.042 0.000) 6.042 4.902 ( 0.000 6.042 0.000) 6.042 5.011 ( 0.000 -0.275 0.000) 0.275 5.011 ( 0.000 0.275 0.000) 0.275 5.336 ( 0.000 -1.492 0.000) 1.492 5.336 ( 0.000 1.492 0.000) 1.492 5.932 ( 0.000 -1.111 0.000) 1.111 5.932 ( 0.000 1.111 0.000) 1.111 6.016 ( 0.000 -5.596 0.000) 5.596 6.016 ( 0.000 5.596 0.000) 5.596 7.174 ( 0.000 -5.062 0.000) 5.062 7.174 ( 0.000 5.062 0.000) 5.062 7.339 ( 0.000 -2.103 0.000) 2.103 7.339 ( 0.000 2.103 0.000) 2.103 7.513 ( 0.000 -16.285 0.000) 16.285 7.513 ( 0.000 16.286 0.000) 16.286 7.857 ( 0.000 -0.891 0.000) 0.891 7.857 ( 0.000 0.891 0.000) 0.891 8.190 ( 0.000 -18.406 0.000) 18.406 8.190 ( 0.000 18.406 0.000) 18.406 8.406 ( 0.000 -9.262 0.000) 9.262 8.406 ( 0.000 9.262 0.000) 9.262 9.042 ( 0.000 -1.488 0.000) 1.488 9.042 ( 0.000 1.488 0.000) 1.488 9.415 ( 0.000 -4.079 0.000) 4.079 9.415 ( 0.000 4.080 0.000) 4.080 9.447 ( 0.000 -13.902 0.000) 13.902 9.447 ( 0.000 13.902 0.000) 13.902 9.594 ( 0.000 -12.988 0.000) 12.988 9.594 ( 0.000 12.988 0.000) 12.988 9.843 ( 0.000 -3.283 0.000) 3.283 9.843 ( 0.000 3.283 0.000) 3.283 10.146 ( 0.000 -4.064 0.000) 4.064 10.146 ( 0.000 4.064 0.000) 4.064 10.438 ( 0.000 -0.611 0.000) 0.611 10.438 ( 0.000 0.611 0.000) 0.611 10.783 ( 0.000 -3.114 0.000) 3.114 10.783 ( 0.000 3.114 0.000) 3.114 11.001 ( 0.000 -12.153 0.000) 12.153 11.001 ( 0.000 12.153 0.000) 12.153 11.109 ( 0.000 -19.254 0.000) 19.254 11.109 ( 0.000 19.254 0.000) 19.254 11.833 ( 0.000 -11.473 0.000) 11.473 11.833 ( 0.000 11.474 0.000) 11.474 12.201 ( 0.000 -9.308 0.000) 9.308 12.201 ( 0.000 9.308 0.000) 9.308 12.584 ( 0.000 -7.350 0.000) 7.350 12.584 ( 0.000 7.351 0.000) 7.351 12.591 ( 0.000 -0.677 0.000) 0.677 12.591 ( 0.000 0.677 0.000) 0.677 13.119 ( 0.000 -4.890 0.000) 4.890 13.119 ( 0.000 4.890 0.000) 4.890 13.207 ( 0.000 -10.485 0.000) 10.485 13.207 ( 0.000 10.485 0.000) 10.485 14.498 ( 0.000 -2.310 0.000) 2.310 14.498 ( 0.000 2.311 0.000) 2.311 14.869 ( 0.000 -6.839 0.000) 6.839 14.869 ( 0.000 6.839 0.000) 6.839 16.133 ( 0.000 -1.848 0.000) 1.848 16.133 ( 0.000 1.849 0.000) 1.849 16.152 ( 0.000 -2.054 0.000) 2.054 16.152 ( 0.000 2.054 0.000) 2.054 16.477 ( 0.000 -11.034 0.000) 11.034 16.477 ( 0.000 11.034 0.000) 11.034 16.894 ( 0.000 -6.411 0.000) 6.411 16.894 ( 0.000 6.411 0.000) 6.411 18.727 ( 0.000 -15.260 0.000) 15.260 18.727 ( 0.000 15.260 0.000) 15.260 18.768 ( 0.000 -13.612 0.000) 13.612 18.768 ( 0.000 13.612 0.000) 13.612 21.658 ( 0.000 -1.808 0.000) 1.808 21.658 ( 0.000 1.808 0.000) 1.808 22.031 ( 0.000 -2.972 0.000) 2.972 22.031 ( 0.000 2.972 0.000) 2.972 23.656 ( 0.000 -1.407 0.000) 1.407 23.656 ( 0.000 1.407 0.000) 1.407 23.820 ( 0.000 -1.029 0.000) 1.029 23.820 ( 0.000 1.029 0.000) 1.029 ======================= Grid point 37 (23/72) ======================= q-point: ( 0.20 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.86e-04 2.86e-04 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.811 ( 5.844 -6.708 0.000) 8.897 2.811 ( 5.844 6.709 0.000) 8.897 3.043 ( -0.540 -1.854 0.000) 1.931 3.043 ( -0.540 1.854 0.000) 1.931 3.183 ( 0.562 -4.666 0.000) 4.700 3.183 ( 0.562 4.666 0.000) 4.700 3.359 ( -0.225 -3.693 0.000) 3.700 3.359 ( -0.225 3.693 0.000) 3.700 3.466 ( -1.290 -5.893 0.000) 6.032 3.466 ( -1.290 5.893 0.000) 6.032 3.518 ( -4.559 -3.245 0.000) 5.596 3.518 ( -4.559 3.245 0.000) 5.596 3.726 ( 5.171 -2.578 0.000) 5.778 3.726 ( 5.171 2.578 0.000) 5.778 3.903 ( 0.291 -4.869 0.000) 4.878 3.903 ( 0.291 4.869 0.000) 4.878 4.461 ( -2.714 -2.590 0.000) 3.752 4.461 ( -2.714 2.590 0.000) 3.752 4.706 ( -11.739 -5.593 0.000) 13.003 4.706 ( -11.739 5.593 0.000) 13.003 5.213 ( 12.308 -2.464 0.000) 12.552 5.213 ( 12.308 2.464 0.000) 12.552 5.387 ( 4.567 -1.392 0.000) 4.774 5.387 ( 4.567 1.393 0.000) 4.774 5.894 ( -3.498 -0.555 0.000) 3.542 5.894 ( -3.498 0.555 0.000) 3.542 5.969 ( -4.625 -5.486 0.000) 7.176 5.969 ( -4.625 5.486 0.000) 7.176 7.235 ( 4.857 -3.456 0.000) 5.962 7.235 ( 4.857 3.456 0.000) 5.962 7.325 ( -1.224 -0.827 0.000) 1.477 7.325 ( -1.224 0.827 0.000) 1.477 7.520 ( 1.988 -14.979 0.000) 15.110 7.520 ( 1.988 14.979 0.000) 15.111 7.888 ( 1.817 -3.701 0.000) 4.123 7.888 ( 1.817 3.701 0.000) 4.123 8.169 ( -1.322 -20.491 0.000) 20.534 8.169 ( -1.322 20.492 0.000) 20.534 8.386 ( -2.270 -15.566 0.000) 15.731 8.386 ( -2.270 15.567 0.000) 15.731 9.092 ( 4.542 -4.015 0.000) 6.063 9.092 ( 4.543 4.015 0.000) 6.063 9.364 ( -4.050 -5.346 0.000) 6.707 9.364 ( -4.050 5.347 0.000) 6.707 9.518 ( 7.093 -13.012 0.000) 14.820 9.518 ( 7.093 13.012 0.000) 14.820 9.654 ( 4.947 -10.144 0.000) 11.286 9.654 ( 4.947 10.144 0.000) 11.287 9.835 ( -0.422 -2.873 0.000) 2.904 9.835 ( -0.422 2.873 0.000) 2.904 10.122 ( -2.818 -0.929 0.000) 2.968 10.122 ( -2.818 0.929 0.000) 2.968 10.345 ( -7.144 -1.284 0.000) 7.258 10.345 ( -7.143 1.284 0.000) 7.258 10.690 ( -9.073 -6.693 0.000) 11.274 10.690 ( -9.073 6.693 0.000) 11.274 11.059 ( 4.534 -12.599 0.000) 13.390 11.059 ( 4.534 12.599 0.000) 13.390 11.129 ( 1.566 -18.156 0.000) 18.224 11.129 ( 1.566 18.157 0.000) 18.224 11.847 ( 1.575 -9.765 0.000) 9.891 11.847 ( 1.575 9.765 0.000) 9.892 12.131 ( -6.265 -8.510 0.000) 10.568 12.131 ( -6.265 8.510 0.000) 10.568 12.582 ( -0.243 -7.139 0.000) 7.143 12.582 ( -0.243 7.139 0.000) 7.144 12.588 ( -0.316 -1.733 0.000) 1.762 12.588 ( -0.316 1.733 0.000) 1.762 13.152 ( 2.857 -7.080 0.000) 7.635 13.152 ( 2.857 7.080 0.000) 7.635 13.214 ( 0.612 -11.304 0.000) 11.321 13.214 ( 0.612 11.304 0.000) 11.321 14.544 ( 4.498 -1.132 0.000) 4.638 14.544 ( 4.498 1.132 0.000) 4.638 14.842 ( -2.764 -6.268 0.000) 6.851 14.842 ( -2.764 6.269 0.000) 6.851 16.134 ( 0.104 -2.309 0.000) 2.312 16.134 ( 0.104 2.310 0.000) 2.312 16.150 ( -0.248 -2.522 0.000) 2.534 16.150 ( -0.248 2.522 0.000) 2.534 16.510 ( 3.353 -9.936 0.000) 10.486 16.510 ( 3.353 9.936 0.000) 10.487 16.846 ( -4.686 -4.132 0.000) 6.247 16.846 ( -4.686 4.132 0.000) 6.247 18.732 ( 0.483 -15.221 0.000) 15.229 18.732 ( 0.483 15.221 0.000) 15.229 18.766 ( -0.261 -13.988 0.000) 13.990 18.766 ( -0.261 13.988 0.000) 13.990 21.691 ( 3.331 -2.163 0.000) 3.971 21.691 ( 3.331 2.163 0.000) 3.971 21.992 ( -3.877 -3.010 0.000) 4.909 21.992 ( -3.877 3.010 0.000) 4.909 23.679 ( 2.233 -2.156 0.000) 3.104 23.679 ( 2.233 2.156 0.000) 3.104 23.811 ( -0.974 -1.825 0.000) 2.069 23.811 ( -0.974 1.826 0.000) 2.069 ======================= Grid point 39 (24/72) ======================= q-point: ( 0.40 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.86e-04 2.86e-04 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.941 ( 6.301 -7.577 0.000) 9.855 2.941 ( 6.301 7.577 0.000) 9.855 3.021 ( -2.106 -3.929 0.000) 4.458 3.021 ( -2.106 3.929 0.000) 4.458 3.217 ( 3.531 -6.531 0.000) 7.425 3.217 ( 3.531 6.531 0.000) 7.425 3.316 ( -5.116 -9.613 0.000) 10.890 3.316 ( -5.116 9.613 0.000) 10.890 3.441 ( -1.633 -2.987 0.000) 3.404 3.441 ( -1.633 2.987 0.000) 3.404 3.442 ( -0.961 -3.108 0.000) 3.254 3.442 ( -0.961 3.108 0.000) 3.254 3.836 ( 5.216 -2.108 0.000) 5.625 3.836 ( 5.216 2.108 0.000) 5.625 3.899 ( -1.240 -3.220 0.000) 3.450 3.899 ( -1.240 3.220 0.000) 3.450 4.428 ( 0.438 -1.307 0.000) 1.378 4.428 ( 0.438 1.307 0.000) 1.378 4.508 ( -7.843 -3.077 0.000) 8.425 4.508 ( -7.843 3.077 0.000) 8.425 5.423 ( 8.056 -0.546 0.000) 8.075 5.423 ( 8.056 0.546 0.000) 8.075 5.472 ( 2.686 -1.828 0.000) 3.249 5.472 ( 2.686 1.828 0.000) 3.249 5.827 ( -2.183 -2.779 0.000) 3.534 5.827 ( -2.183 2.779 0.000) 3.534 5.861 ( -5.335 -5.248 0.000) 7.484 5.861 ( -5.335 5.248 0.000) 7.484 7.294 ( 0.977 -3.139 0.000) 3.287 7.294 ( 0.977 3.139 0.000) 3.287 7.305 ( -0.677 -2.999 0.000) 3.074 7.305 ( -0.677 2.999 0.000) 3.074 7.643 ( 10.165 -11.161 0.000) 15.096 7.643 ( 10.165 11.161 0.000) 15.096 7.838 ( -7.848 -8.041 0.000) 11.236 7.838 ( -7.848 8.041 0.000) 11.236 8.201 ( 4.953 -21.983 0.000) 22.534 8.201 ( 4.953 21.983 0.000) 22.534 8.311 ( -5.342 -20.359 0.000) 21.048 8.311 ( -5.342 20.359 0.000) 21.048 9.188 ( 4.990 -4.356 0.000) 6.623 9.188 ( 4.990 4.356 0.000) 6.624 9.280 ( -4.513 -4.960 0.000) 6.706 9.280 ( -4.513 4.961 0.000) 6.707 9.676 ( 7.104 -8.015 0.000) 10.710 9.676 ( 7.104 8.015 0.000) 10.710 9.733 ( 1.436 -5.340 0.000) 5.530 9.733 ( 1.436 5.340 0.000) 5.530 9.864 ( 4.763 -1.264 0.000) 4.927 9.864 ( 4.762 1.264 0.000) 4.927 10.008 ( -8.476 -5.055 0.000) 9.869 10.008 ( -8.476 5.055 0.000) 9.869 10.291 ( 3.697 -3.721 0.000) 5.245 10.291 ( 3.697 3.721 0.000) 5.246 10.468 ( -12.424 -6.572 0.000) 14.055 10.468 ( -12.424 6.572 0.000) 14.055 11.132 ( 2.457 -14.256 0.000) 14.466 11.132 ( 2.457 14.256 0.000) 14.466 11.151 ( 0.331 -16.310 0.000) 16.314 11.151 ( 0.331 16.310 0.000) 16.314 11.900 ( 4.016 -5.180 0.000) 6.555 11.900 ( 4.016 5.181 0.000) 6.555 12.002 ( -6.330 -4.876 0.000) 7.991 12.002 ( -6.330 4.876 0.000) 7.991 12.577 ( -0.133 -5.487 0.000) 5.489 12.577 ( -0.133 5.488 0.000) 5.489 12.580 ( -0.366 -3.242 0.000) 3.263 12.580 ( -0.366 3.242 0.000) 3.263 13.203 ( 1.982 -10.258 0.000) 10.447 13.203 ( 1.982 10.258 0.000) 10.447 13.222 ( -0.055 -11.769 0.000) 11.769 13.222 ( -0.055 11.769 0.000) 11.769 14.653 ( 6.154 -2.046 0.000) 6.485 14.653 ( 6.154 2.046 0.000) 6.486 14.765 ( -5.120 -4.588 0.000) 6.875 14.765 ( -5.120 4.588 0.000) 6.875 16.137 ( 0.273 -2.963 0.000) 2.976 16.137 ( 0.273 2.964 0.000) 2.976 16.144 ( -0.363 -3.068 0.000) 3.089 16.144 ( -0.363 3.068 0.000) 3.089 16.602 ( 5.988 -6.551 0.000) 8.876 16.602 ( 5.988 6.552 0.000) 8.876 16.730 ( -6.800 -1.366 0.000) 6.936 16.730 ( -6.800 1.366 0.000) 6.936 18.744 ( 0.735 -15.059 0.000) 15.077 18.744 ( 0.735 15.059 0.000) 15.077 18.758 ( -0.608 -14.646 0.000) 14.658 18.758 ( -0.608 14.646 0.000) 14.658 21.780 ( 5.546 -2.713 0.000) 6.175 21.780 ( 5.546 2.713 0.000) 6.175 21.894 ( -5.869 -2.995 0.000) 6.589 21.894 ( -5.869 2.995 0.000) 6.589 23.731 ( 2.878 -2.889 0.000) 4.078 23.731 ( 2.878 2.889 0.000) 4.078 23.781 ( -2.117 -2.741 0.000) 3.463 23.781 ( -2.117 2.741 0.000) 3.463 ======================= Grid point 75 (25/72) ======================= q-point: ( 0.00 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.86e-04 2.86e-04 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 48 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.633 ( 0.000 0.000 28.440) 28.440 0.809 ( 0.000 0.000 34.874) 34.874 1.279 ( 0.000 0.000 54.479) 54.479 1.856 ( 0.000 0.000 -24.202) 24.202 2.104 ( 0.000 0.000 -22.362) 22.362 2.353 ( 0.000 0.000 2.471) 2.471 2.402 ( 0.000 0.000 7.757) 7.757 2.558 ( 0.000 0.000 6.183) 6.183 2.784 ( 0.000 0.000 5.379) 5.379 2.805 ( 0.000 0.000 5.911) 5.911 2.965 ( 0.000 0.000 -8.661) 8.661 2.971 ( 0.000 0.000 -2.067) 2.067 3.170 ( 0.000 0.000 -3.149) 3.149 3.227 ( 0.000 0.000 2.898) 2.898 3.257 ( 0.000 0.000 -14.506) 14.506 3.314 ( 0.000 0.000 7.962) 7.962 3.317 ( 0.000 0.000 -1.013) 1.013 3.656 ( 0.000 0.000 9.256) 9.256 3.659 ( 0.000 0.000 -6.674) 6.674 4.142 ( 0.000 0.000 -6.533) 6.533 4.350 ( 0.000 0.000 8.121) 8.121 4.788 ( 0.000 0.000 3.260) 3.260 4.798 ( 0.000 0.000 -9.059) 9.059 4.815 ( 0.000 0.000 0.306) 0.306 4.838 ( 0.000 0.000 -0.510) 0.510 5.091 ( 0.000 0.000 -2.263) 2.263 5.143 ( 0.000 0.000 1.095) 1.095 5.199 ( 0.000 0.000 -0.892) 0.892 5.680 ( 0.000 0.000 -2.415) 2.415 5.783 ( 0.000 0.000 -2.548) 2.548 6.430 ( 0.000 0.000 -0.703) 0.703 6.458 ( 0.000 0.000 1.391) 1.391 6.862 ( 0.000 0.000 2.035) 2.035 7.046 ( 0.000 0.000 -2.473) 2.473 7.202 ( 0.000 0.000 0.593) 0.593 7.239 ( 0.000 0.000 -1.658) 1.658 7.455 ( 0.000 0.000 -1.548) 1.548 7.663 ( 0.000 0.000 -15.142) 15.142 7.861 ( 0.000 0.000 7.035) 7.035 8.116 ( 0.000 0.000 1.262) 1.262 8.119 ( 0.000 0.000 6.450) 6.450 8.189 ( 0.000 0.000 -1.273) 1.273 8.262 ( 0.000 0.000 -4.913) 4.913 8.404 ( 0.000 0.000 -5.602) 5.602 8.858 ( 0.000 0.000 4.736) 4.736 9.020 ( 0.000 0.000 -0.086) 0.086 9.170 ( 0.000 0.000 19.318) 19.318 9.243 ( 0.000 0.000 -1.911) 1.911 9.323 ( 0.000 0.000 -5.436) 5.436 9.613 ( 0.000 0.000 6.395) 6.395 9.719 ( 0.000 0.000 -5.277) 5.277 9.828 ( 0.000 0.000 -2.729) 2.729 10.130 ( 0.000 0.000 9.153) 9.153 10.160 ( 0.000 0.000 2.713) 2.713 10.343 ( 0.000 0.000 -4.865) 4.865 10.774 ( 0.000 0.000 15.426) 15.426 10.801 ( 0.000 0.000 -15.995) 15.995 10.880 ( 0.000 0.000 3.579) 3.579 11.201 ( 0.000 0.000 -8.670) 8.670 11.344 ( 0.000 0.000 -0.394) 0.394 11.437 ( 0.000 0.000 -2.072) 2.072 11.742 ( 0.000 0.000 -11.273) 11.273 11.753 ( 0.000 0.000 7.875) 7.875 12.050 ( 0.000 0.000 -4.500) 4.500 12.201 ( 0.000 0.000 12.502) 12.502 13.082 ( 0.000 0.000 15.592) 15.592 13.156 ( 0.000 0.000 -27.081) 27.081 13.182 ( 0.000 0.000 14.534) 14.534 13.317 ( 0.000 0.000 1.292) 1.292 13.480 ( 0.000 0.000 -6.239) 6.239 13.785 ( 0.000 0.000 -10.464) 10.464 13.832 ( 0.000 0.000 -9.501) 9.501 14.037 ( 0.000 0.000 4.868) 4.868 14.250 ( 0.000 0.000 -5.015) 5.015 14.707 ( 0.000 0.000 6.463) 6.463 14.982 ( 0.000 0.000 -2.903) 2.903 15.146 ( 0.000 0.000 1.086) 1.086 15.210 ( 0.000 0.000 -0.577) 0.577 15.472 ( 0.000 0.000 16.715) 16.715 16.077 ( 0.000 0.000 -7.285) 7.285 17.337 ( 0.000 0.000 23.799) 23.799 18.093 ( 0.000 0.000 1.953) 1.953 18.099 ( 0.000 0.000 2.192) 2.192 18.201 ( 0.000 0.000 -1.837) 1.837 18.213 ( 0.000 0.000 -1.866) 1.866 18.449 ( 0.000 0.000 -16.032) 16.032 19.785 ( 0.000 0.000 2.087) 2.087 19.953 ( 0.000 0.000 -3.572) 3.572 20.650 ( 0.000 0.000 3.283) 3.283 20.927 ( 0.000 0.000 -8.553) 8.553 21.326 ( 0.000 0.000 7.390) 7.390 21.537 ( 0.000 0.000 -2.088) 2.088 23.801 ( 0.000 0.000 6.066) 6.066 24.272 ( 0.000 0.000 -13.354) 13.354 25.071 ( 0.000 0.000 14.623) 14.623 25.627 ( 0.000 0.000 -7.773) 7.773 ======================= Grid point 76 (26/72) ======================= q-point: ( 0.20 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.86e-04 2.86e-04 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.838 ( 17.795 0.000 19.034) 26.057 1.003 ( 17.924 0.000 27.069) 32.466 1.586 ( 28.411 0.000 43.261) 51.756 1.872 ( 0.759 0.000 -23.845) 23.857 2.102 ( -3.089 0.000 -14.875) 15.192 2.226 ( -11.538 0.000 7.886) 13.976 2.356 ( -2.524 0.000 1.154) 2.775 2.424 ( -8.346 0.000 1.628) 8.503 2.776 ( -1.119 0.000 6.665) 6.758 2.784 ( -5.625 0.000 -4.770) 7.375 2.840 ( -10.835 0.000 -1.123) 10.893 2.938 ( -0.006 0.000 5.462) 5.462 3.117 ( -3.255 0.000 1.854) 3.746 3.231 ( 6.718 0.000 -8.638) 10.943 3.309 ( 5.079 0.000 -0.344) 5.091 3.358 ( 3.231 0.000 -1.177) 3.439 3.503 ( 2.249 0.000 -1.126) 2.515 3.626 ( 1.924 0.000 6.775) 7.043 3.775 ( 8.866 0.000 -8.279) 12.131 4.086 ( -13.964 0.000 -2.823) 14.246 4.317 ( 4.140 0.000 4.268) 5.946 4.545 ( -7.907 0.000 4.279) 8.991 4.849 ( 3.353 0.000 0.451) 3.383 4.879 ( 3.979 0.000 -0.653) 4.033 4.926 ( 0.940 0.000 -7.229) 7.289 5.098 ( -0.757 0.000 -3.657) 3.735 5.115 ( -2.793 0.000 1.081) 2.995 5.170 ( -2.964 0.000 -0.857) 3.086 5.679 ( 2.506 0.000 0.870) 2.653 5.926 ( 8.273 0.000 -8.364) 11.764 6.231 ( -11.498 0.000 9.631) 14.999 6.383 ( -4.419 0.000 -0.153) 4.422 6.963 ( 8.392 0.000 2.313) 8.705 7.185 ( 1.026 0.000 -2.171) 2.401 7.265 ( 4.941 0.000 -0.783) 5.003 7.413 ( 14.552 0.000 -4.103) 15.119 7.546 ( 3.996 0.000 -5.565) 6.851 7.742 ( 6.794 0.000 -11.504) 13.360 7.840 ( -2.113 0.000 7.032) 7.343 8.025 ( 2.090 0.000 -1.964) 2.868 8.124 ( 0.742 0.000 1.063) 1.296 8.182 ( -0.672 0.000 -0.958) 1.170 8.332 ( 1.432 0.000 -0.718) 1.602 8.415 ( 0.771 0.000 -9.784) 9.814 8.920 ( 6.246 0.000 4.507) 7.703 9.058 ( 3.784 0.000 0.291) 3.795 9.209 ( 4.885 0.000 7.315) 8.796 9.253 ( 0.745 0.000 -2.221) 2.343 9.310 ( -1.049 0.000 -4.690) 4.806 9.551 ( -6.372 0.000 4.935) 8.059 9.651 ( -12.676 0.000 0.526) 12.687 9.656 ( -7.009 0.000 -5.444) 8.875 9.947 ( -16.721 0.000 5.056) 17.468 10.240 ( -10.071 0.000 -7.845) 12.766 10.291 ( 11.517 0.000 5.567) 12.792 10.753 ( 0.223 0.000 14.662) 14.663 10.770 ( -3.405 0.000 -5.213) 6.227 10.917 ( 3.787 0.000 -5.865) 6.982 11.176 ( -2.484 0.000 -8.903) 9.243 11.279 ( -11.488 0.000 -4.876) 12.480 11.418 ( 5.639 0.000 2.319) 6.097 11.743 ( -2.454 0.000 -2.237) 3.321 11.811 ( 7.679 0.000 11.726) 14.016 12.118 ( 7.050 0.000 4.399) 8.310 12.526 ( 20.272 0.000 -10.278) 22.729 13.092 ( 0.985 0.000 15.479) 15.511 13.098 ( -4.796 0.000 -19.323) 19.909 13.173 ( -0.921 0.000 14.624) 14.653 13.347 ( 2.254 0.000 -4.997) 5.482 13.476 ( -0.708 0.000 -8.062) 8.093 13.789 ( 0.461 0.000 -10.366) 10.377 13.828 ( -0.448 0.000 -9.588) 9.598 14.067 ( 2.701 0.000 4.482) 5.234 14.278 ( 0.058 0.000 0.027) 0.064 14.616 ( -4.582 0.000 14.095) 14.822 14.933 ( -3.006 0.000 -1.991) 3.606 15.154 ( 0.859 0.000 -0.064) 0.861 15.204 ( -0.606 0.000 -1.027) 1.193 15.480 ( 1.867 0.000 14.318) 14.439 15.978 ( -9.840 0.000 -4.540) 10.837 17.360 ( 2.478 0.000 25.291) 25.412 18.093 ( 0.049 0.000 1.971) 1.972 18.099 ( -0.073 0.000 2.163) 2.164 18.103 ( -28.660 0.000 25.724) 38.511 18.203 ( 0.126 0.000 -1.833) 1.837 18.212 ( -0.099 0.000 -1.858) 1.861 19.690 ( -6.011 0.000 -0.368) 6.023 19.958 ( -0.454 0.000 -5.551) 5.569 20.429 ( -21.647 0.000 19.590) 29.195 20.714 ( -12.824 0.000 10.699) 16.701 20.874 ( -6.281 0.000 -7.783) 10.001 21.186 ( -19.049 0.000 -2.531) 19.216 23.979 ( 15.278 0.000 7.161) 16.873 24.595 ( 2.949 0.000 -15.839) 16.111 25.433 ( 23.177 0.000 -5.903) 23.917 25.746 ( 9.508 0.000 -12.566) 15.758 ======================= Grid point 77 (27/72) ======================= q-point: ( 0.40 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.86e-04 2.86e-04 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.249 ( 23.296 0.000 7.792) 24.565 1.417 ( 23.239 0.000 16.645) 28.585 1.685 ( -19.691 0.000 -2.608) 19.863 1.853 ( -20.417 0.000 7.192) 21.647 2.057 ( 8.702 0.000 -0.491) 8.715 2.170 ( -1.022 0.000 3.589) 3.732 2.428 ( 7.154 0.000 -13.454) 15.238 2.458 ( 28.081 0.000 12.006) 30.539 2.610 ( -10.412 0.000 -12.222) 16.055 2.700 ( -2.387 0.000 7.781) 8.139 2.746 ( -0.924 0.000 6.130) 6.199 2.980 ( 3.290 0.000 7.627) 8.306 3.049 ( -3.685 0.000 5.149) 6.332 3.195 ( -32.198 0.000 11.394) 34.155 3.386 ( 2.611 0.000 -0.999) 2.795 3.403 ( 0.895 0.000 -1.259) 1.544 3.409 ( 8.589 0.000 -4.647) 9.765 3.572 ( -8.019 0.000 -4.964) 9.431 3.906 ( 7.671 0.000 -10.527) 13.025 3.983 ( 1.821 0.000 -0.767) 1.976 4.451 ( 3.683 0.000 -2.375) 4.382 4.473 ( -0.088 0.000 3.975) 3.976 4.910 ( 1.468 0.000 -4.954) 5.167 4.935 ( 5.119 0.000 0.596) 5.153 4.974 ( 5.013 0.000 -0.941) 5.101 5.021 ( -6.946 0.000 -3.640) 7.842 5.043 ( -4.129 0.000 1.105) 4.275 5.090 ( -5.039 0.000 -0.704) 5.088 5.779 ( 7.157 0.000 2.007) 7.433 5.930 ( -7.331 0.000 -1.127) 7.418 6.183 ( 5.277 0.000 2.293) 5.754 6.291 ( -5.101 0.000 -0.088) 5.101 7.118 ( 6.832 0.000 -1.340) 6.962 7.191 ( -0.674 0.000 -2.353) 2.448 7.319 ( 1.611 0.000 1.577) 2.254 7.427 ( -9.539 0.000 -2.593) 9.885 7.695 ( 14.926 0.000 1.025) 14.961 7.881 ( 9.004 0.000 3.375) 9.616 7.943 ( -4.127 0.000 -2.127) 4.642 7.993 ( -1.471 0.000 1.148) 1.866 8.143 ( 1.130 0.000 0.516) 1.242 8.165 ( -1.069 0.000 -0.241) 1.096 8.353 ( 3.967 0.000 -4.014) 5.643 8.458 ( 0.145 0.000 -7.260) 7.261 9.087 ( 10.397 0.000 3.797) 11.069 9.152 ( 5.444 0.000 0.916) 5.520 9.231 ( -3.331 0.000 -1.789) 3.781 9.306 ( -3.791 0.000 -0.821) 3.879 9.315 ( 4.145 0.000 -6.414) 7.637 9.376 ( -5.122 0.000 1.118) 5.243 9.437 ( -11.655 0.000 -4.062) 12.343 9.456 ( -7.399 0.000 -0.050) 7.399 9.782 ( 2.901 0.000 -2.864) 4.076 9.984 ( -14.550 0.000 -11.365) 18.463 10.504 ( 10.012 0.000 3.535) 10.617 10.669 ( -6.983 0.000 1.189) 7.084 10.840 ( 8.531 0.000 9.734) 12.943 11.010 ( 5.308 0.000 -9.638) 11.003 11.048 ( -11.968 0.000 0.990) 12.009 11.108 ( -4.495 0.000 -9.471) 10.483 11.537 ( 6.405 0.000 3.265) 7.189 11.657 ( -5.710 0.000 2.003) 6.051 12.012 ( 11.015 0.000 14.261) 18.020 12.169 ( -3.362 0.000 11.472) 11.954 12.823 ( 10.937 0.000 -15.436) 18.918 12.988 ( -6.734 0.000 -16.169) 17.515 13.118 ( 1.560 0.000 15.197) 15.276 13.148 ( -1.520 0.000 14.870) 14.947 13.395 ( 2.681 0.000 -7.033) 7.526 13.445 ( -2.352 0.000 -7.851) 8.195 13.801 ( 0.739 0.000 -10.117) 10.144 13.816 ( -0.731 0.000 -9.820) 9.847 14.126 ( 3.182 0.000 6.159) 6.932 14.199 ( -4.972 0.000 11.103) 12.165 14.697 ( 9.722 0.000 -1.435) 9.827 14.862 ( -5.815 0.000 -4.035) 7.078 15.169 ( 1.524 0.000 0.005) 1.524 15.201 ( -0.701 0.000 -1.218) 1.405 15.556 ( 6.264 0.000 10.316) 12.069 15.742 ( -12.609 0.000 3.185) 13.005 17.444 ( 6.747 0.000 30.636) 31.370 17.653 ( -16.053 0.000 38.448) 41.664 18.095 ( 0.090 0.000 2.022) 2.024 18.097 ( -0.105 0.000 2.094) 2.097 18.206 ( 0.189 0.000 -1.831) 1.841 18.209 ( -0.172 0.000 -1.842) 1.850 19.707 ( 7.267 0.000 -12.613) 14.557 19.881 ( -8.035 0.000 -10.937) 13.571 20.298 ( 3.731 0.000 8.078) 8.898 20.473 ( -13.158 0.000 2.462) 13.386 20.815 ( 0.801 0.000 -3.918) 3.999 20.905 ( -8.972 0.000 -4.742) 10.148 24.282 ( 14.440 0.000 4.012) 14.987 24.511 ( -8.914 0.000 -3.200) 9.471 25.734 ( 10.131 0.000 -5.473) 11.515 25.844 ( -0.723 0.000 -9.616) 9.643 ======================= Grid point 80 (28/72) ======================= q-point: ( 0.00 0.07 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.86e-04 2.86e-04 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.860 ( 0.000 15.969 22.706) 27.759 0.889 ( 0.000 22.459 19.645) 29.838 1.795 ( 0.000 38.817 40.695) 56.239 1.945 ( 0.000 9.088 -22.797) 24.542 2.058 ( 0.000 -2.074 -21.027) 21.129 2.402 ( 0.000 3.805 0.031) 3.806 2.428 ( 0.000 3.971 4.376) 5.910 2.714 ( 0.000 13.505 6.228) 14.872 2.800 ( 0.000 2.964 5.654) 6.384 2.868 ( 0.000 5.229 7.918) 9.489 3.003 ( 0.000 5.535 -5.777) 8.001 3.073 ( 0.000 7.663 -3.472) 8.413 3.109 ( 0.000 -2.475 1.096) 2.707 3.272 ( 0.000 6.087 -3.385) 6.965 3.304 ( 0.000 -2.399 4.931) 5.484 3.377 ( 0.000 10.245 -4.936) 11.372 3.455 ( 0.000 10.123 3.207) 10.619 3.657 ( 0.000 3.998 5.158) 6.526 3.695 ( 0.000 4.103 -8.990) 9.882 4.073 ( 0.000 -4.290 -6.543) 7.824 4.337 ( 0.000 1.079 8.001) 8.073 4.700 ( 0.000 -0.946 5.090) 5.177 4.789 ( 0.000 0.007 -8.661) 8.661 5.045 ( 0.000 3.060 -3.766) 4.852 5.164 ( 0.000 21.880 1.723) 21.948 5.258 ( 0.000 29.910 -2.402) 30.006 5.399 ( 0.000 24.569 1.346) 24.605 5.483 ( 0.000 26.976 -1.348) 27.010 5.728 ( 0.000 5.510 -1.654) 5.753 5.796 ( 0.000 1.972 -1.154) 2.285 6.282 ( 0.000 -6.538 8.638) 10.833 6.403 ( 0.000 -1.616 -1.897) 2.493 6.870 ( 0.000 0.809 1.818) 1.990 7.041 ( 0.000 -0.446 -2.631) 2.668 7.230 ( 0.000 3.052 -0.226) 3.060 7.247 ( 0.000 0.397 -1.156) 1.222 7.392 ( 0.000 -0.653 -1.523) 1.657 7.608 ( 0.000 -4.827 -13.713) 14.538 7.774 ( 0.000 2.123 12.552) 12.731 8.082 ( 0.000 -2.115 4.971) 5.402 8.187 ( 0.000 -1.057 -3.232) 3.401 8.317 ( 0.000 1.032 0.433) 1.119 8.450 ( 0.000 9.667 -9.644) 13.655 8.578 ( 0.000 19.744 -15.329) 24.996 8.967 ( 0.000 -6.281 10.223) 11.998 9.046 ( 0.000 15.352 3.963) 15.855 9.198 ( 0.000 5.033 4.248) 6.586 9.215 ( 0.000 -9.349 -2.639) 9.715 9.328 ( 0.000 7.116 4.322) 8.325 9.579 ( 0.000 -0.245 3.514) 3.522 9.761 ( 0.000 2.097 4.565) 5.024 9.879 ( 0.000 2.835 0.513) 2.881 9.907 ( 0.000 12.425 1.423) 12.506 10.160 ( 0.000 3.124 -4.963) 5.865 10.647 ( 0.000 -6.833 6.965) 9.757 10.751 ( 0.000 -7.846 -0.546) 7.865 10.907 ( 0.000 5.012 -1.161) 5.145 11.276 ( 0.000 6.315 -7.144) 9.535 11.295 ( 0.000 6.719 -10.337) 12.329 11.469 ( 0.000 3.010 1.958) 3.590 11.482 ( 0.000 31.828 -23.986) 39.854 11.789 ( 0.000 3.448 9.913) 10.495 11.814 ( 0.000 7.349 -8.105) 10.941 12.182 ( 0.000 -2.308 13.109) 13.311 12.322 ( 0.000 19.119 -20.587) 28.095 12.786 ( 0.000 -25.203 11.220) 27.588 12.852 ( 0.000 -22.100 9.190) 23.934 13.022 ( 0.000 -18.857 -12.561) 22.658 13.269 ( 0.000 -9.449 -20.363) 22.449 13.454 ( 0.000 -19.326 -13.507) 23.578 13.469 ( 0.000 5.115 5.204) 7.297 13.893 ( 0.000 1.874 -10.314) 10.483 14.108 ( 0.000 3.824 3.863) 5.436 14.312 ( 0.000 5.388 -4.949) 7.317 14.936 ( 0.000 19.770 7.950) 21.309 15.161 ( 0.000 0.749 3.600) 3.678 15.297 ( 0.000 8.230 -1.094) 8.302 15.361 ( 0.000 26.499 -11.300) 28.808 15.495 ( 0.000 3.022 15.812) 16.099 16.045 ( 0.000 -3.110 -6.605) 7.301 17.298 ( 0.000 -4.503 15.201) 15.854 17.591 ( 0.000 -31.981 11.009) 33.823 17.743 ( 0.000 -27.787 -3.795) 28.045 17.846 ( 0.000 -30.133 -3.186) 30.301 18.010 ( 0.000 -7.610 10.851) 13.254 18.850 ( 0.000 21.337 -15.935) 26.631 20.056 ( 0.000 18.499 2.904) 18.726 20.099 ( 0.000 -2.333 8.951) 9.250 20.851 ( 0.000 19.078 1.466) 19.134 21.026 ( 0.000 10.878 -5.863) 12.357 21.334 ( 0.000 1.946 5.093) 5.452 21.379 ( 0.000 -4.892 5.381) 7.272 23.777 ( 0.000 -1.066 4.632) 4.753 24.213 ( 0.000 -5.666 -12.705) 13.911 24.974 ( 0.000 -9.703 13.531) 16.650 25.430 ( 0.000 -16.036 -2.709) 16.263 ======================= Grid point 81 (29/72) ======================= q-point: ( 0.20 0.07 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.86e-04 2.86e-04 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.022 ( 14.894 16.824 14.921) 26.972 1.079 ( 17.535 13.547 18.751) 29.028 1.923 ( -1.633 5.225 -21.044) 21.744 1.987 ( 17.565 31.634 33.156) 49.077 2.138 ( 2.604 4.715 -16.201) 17.073 2.276 ( -7.394 6.122 5.045) 10.845 2.393 ( -3.538 3.815 -0.157) 5.205 2.523 ( -12.777 8.353 3.406) 15.640 2.788 ( -1.675 2.305 6.200) 6.824 2.849 ( -9.253 3.713 -2.491) 10.277 2.895 ( -5.822 8.280 0.485) 10.133 2.989 ( 0.557 5.122 4.175) 6.631 3.157 ( -1.269 4.059 1.600) 4.544 3.329 ( 3.735 5.421 0.337) 6.592 3.362 ( 5.513 6.601 -4.190) 9.567 3.391 ( 4.733 4.901 2.687) 7.324 3.544 ( 0.994 5.069 -2.330) 5.666 3.668 ( 2.833 4.906 4.459) 7.210 3.794 ( 6.949 2.683 -10.402) 12.795 4.024 ( -7.359 -2.822 -0.489) 7.897 4.334 ( 2.047 2.558 3.563) 4.841 4.549 ( -9.104 1.435 3.331) 9.800 4.837 ( 2.959 -0.318 -4.689) 5.554 5.020 ( -2.316 1.183 -4.465) 5.167 5.189 ( 2.480 25.604 1.698) 25.780 5.316 ( 3.402 27.204 -3.674) 27.661 5.401 ( -0.036 26.564 1.089) 26.586 5.469 ( -1.732 28.095 -1.422) 28.185 5.710 ( 0.931 3.762 1.121) 4.035 5.911 ( 6.814 -0.522 -6.171) 9.208 6.194 ( -6.332 -1.290 8.351) 10.559 6.353 ( -4.424 -2.152 -0.727) 4.973 6.954 ( 7.340 -0.481 1.979) 7.618 7.145 ( 4.362 -4.910 -3.103) 7.264 7.248 ( 2.618 1.226 1.427) 3.224 7.347 ( 8.582 -3.919 -2.610) 9.788 7.474 ( 7.783 0.593 -1.388) 7.928 7.684 ( 7.414 -5.662 -12.035) 15.227 7.779 ( 1.493 1.364 9.590) 9.801 7.937 ( -7.990 -1.288 2.555) 8.487 8.222 ( -0.277 -0.538 -1.188) 1.334 8.263 ( -7.371 -0.669 -2.545) 7.827 8.463 ( 4.234 14.563 -4.665) 15.868 8.665 ( 6.114 16.916 -12.140) 21.701 9.000 ( 3.218 -6.164 6.458) 9.490 9.097 ( 4.938 13.568 4.275) 15.058 9.195 ( -1.669 -7.604 -1.274) 7.889 9.249 ( 3.996 2.820 2.638) 5.556 9.301 ( -0.828 4.797 -0.013) 4.868 9.531 ( -4.357 1.895 2.025) 5.165 9.728 ( -8.778 6.437 -1.411) 10.977 9.803 ( -7.147 9.559 -1.397) 12.017 9.914 ( 2.379 5.095 5.007) 7.529 10.088 ( -4.746 8.732 -2.533) 10.257 10.651 ( 1.036 -7.906 8.046) 11.328 10.741 ( -1.064 -4.494 1.594) 4.886 10.861 ( -2.762 1.279 -5.313) 6.123 11.047 ( -15.063 10.724 -14.142) 23.278 11.278 ( -12.339 19.626 -8.667) 24.750 11.331 ( -7.611 8.955 -7.310) 13.840 11.491 ( 5.218 5.060 0.127) 7.269 11.766 ( -3.930 2.525 -1.409) 4.879 11.922 ( 11.306 10.475 11.310) 19.118 12.187 ( 6.101 3.135 5.483) 8.782 12.601 ( 14.767 2.819 -15.156) 21.348 12.787 ( 0.215 -25.677 10.739) 27.833 12.828 ( -1.785 -21.434 7.444) 22.759 13.017 ( -0.823 -19.028 -11.025) 22.007 13.269 ( -0.010 -7.858 -13.726) 15.816 13.387 ( -4.539 -9.494 -4.635) 11.499 13.540 ( 4.823 -5.715 -7.853) 10.844 13.843 ( -4.362 -0.240 -11.016) 11.850 14.169 ( 5.603 5.876 3.790) 8.960 14.409 ( 7.824 8.921 -4.665) 12.750 14.842 ( -8.340 17.190 12.730) 22.959 15.151 ( -0.919 8.023 2.379) 8.418 15.261 ( -4.567 10.050 -2.680) 11.360 15.307 ( -1.090 17.857 -3.028) 18.144 15.515 ( 2.079 3.717 13.549) 14.203 15.949 ( -9.498 -2.761 -3.800) 10.596 17.311 ( 1.303 -5.317 15.609) 16.541 17.535 ( -4.934 -26.353 13.786) 30.147 17.761 ( 1.408 -28.661 -2.904) 28.842 17.835 ( -0.971 -29.566 -2.583) 29.695 18.039 ( 2.880 -6.554 11.056) 13.171 18.638 ( -19.342 19.831 8.434) 28.957 19.909 ( -7.279 6.235 2.735) 9.967 20.164 ( 2.651 9.935 0.865) 10.319 20.680 ( -20.291 27.116 7.144) 34.613 20.857 ( -12.055 14.429 5.829) 19.685 20.967 ( -4.971 11.132 -4.736) 13.079 21.228 ( -14.955 5.805 -3.718) 16.467 23.927 ( 14.214 -4.542 6.886) 16.434 24.495 ( 5.562 -9.404 -15.279) 18.783 25.244 ( 22.918 -18.133 0.099) 29.224 25.513 ( 7.277 -18.185 -3.701) 19.933 ======================= Grid point 82 (30/72) ======================= q-point: ( 0.40 0.07 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.86e-04 2.86e-04 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.376 ( 20.528 13.230 5.709) 25.081 1.482 ( 21.941 7.138 12.811) 26.391 1.772 ( -16.210 8.044 -5.301) 18.857 1.899 ( -18.169 5.857 4.811) 19.686 2.203 ( 2.287 12.354 -0.864) 12.594 2.272 ( -4.137 7.845 -0.886) 8.913 2.444 ( 5.213 1.740 -12.839) 13.966 2.515 ( 12.049 6.985 4.676) 14.692 2.695 ( 0.409 6.019 5.330) 8.051 2.751 ( -3.643 5.370 5.808) 8.709 2.821 ( 4.828 10.670 4.322) 12.483 3.052 ( 2.606 6.081 8.027) 10.402 3.080 ( -4.157 5.488 5.040) 8.533 3.327 ( -18.333 11.186 7.423) 22.722 3.446 ( 5.910 4.336 -0.130) 7.331 3.465 ( 3.217 7.167 -1.440) 7.987 3.487 ( -1.414 7.797 -0.535) 7.943 3.577 ( -7.805 1.086 -4.007) 8.840 3.902 ( 7.054 1.635 -7.972) 10.769 3.982 ( 0.658 1.189 -0.399) 1.416 4.412 ( 3.072 -0.959 -1.686) 3.633 4.444 ( -1.975 -0.720 1.985) 2.891 4.894 ( 3.189 0.173 -4.280) 5.340 4.961 ( -3.361 -0.298 -3.723) 5.025 5.255 ( 4.213 27.601 1.162) 27.945 5.331 ( -2.537 28.327 -0.144) 28.440 5.397 ( 0.255 30.906 -2.034) 30.974 5.422 ( -2.327 30.588 -1.522) 30.714 5.783 ( 6.297 0.740 1.502) 6.515 5.920 ( -6.188 -0.175 -2.017) 6.511 6.167 ( 4.037 -1.500 2.825) 5.151 6.260 ( -4.869 -2.773 0.302) 5.612 7.090 ( 5.714 -2.043 -0.220) 6.072 7.161 ( -1.616 -2.882 -1.996) 3.860 7.310 ( 3.456 0.306 2.142) 4.078 7.391 ( -3.672 -1.752 -0.752) 4.138 7.702 ( 13.564 0.741 -1.053) 13.625 7.826 ( 0.802 -3.658 1.220) 3.939 7.829 ( 5.103 -7.023 -0.879) 8.726 7.899 ( 3.126 -2.645 -1.490) 4.358 8.081 ( -8.067 -1.524 -1.868) 8.419 8.143 ( -7.428 -2.886 -1.281) 8.071 8.619 ( 11.609 19.258 -1.240) 22.521 8.762 ( 1.084 18.280 -4.321) 18.815 9.059 ( 2.350 -7.532 1.774) 8.087 9.131 ( -5.110 -7.790 0.044) 9.316 9.217 ( 6.180 4.618 1.731) 7.906 9.277 ( 2.220 2.626 -1.165) 3.631 9.325 ( -1.770 0.604 -1.185) 2.214 9.458 ( -13.568 10.389 -1.247) 17.134 9.501 ( 4.038 9.620 -1.275) 10.511 9.639 ( -8.572 10.935 -1.749) 14.003 9.961 ( 3.231 16.521 -2.749) 17.057 10.038 ( -2.723 8.950 -4.994) 10.605 10.639 ( -0.843 -1.779 2.482) 3.167 10.725 ( -10.089 7.029 -4.837) 13.213 10.806 ( 7.990 -3.807 3.758) 9.615 10.900 ( -0.001 -5.188 -7.244) 8.911 11.111 ( -5.247 6.920 -3.812) 9.485 11.143 ( -8.988 8.763 -0.353) 12.558 11.598 ( 5.303 4.259 0.145) 6.803 11.691 ( -4.212 2.858 -0.511) 5.116 12.145 ( 10.367 11.104 13.313) 20.200 12.265 ( -0.681 6.343 9.795) 11.689 12.752 ( 1.666 -16.450 0.017) 16.534 12.777 ( -1.516 -21.818 6.285) 22.756 12.872 ( 6.707 -14.965 -5.044) 17.157 12.977 ( -3.639 -16.488 -9.672) 19.459 13.267 ( 0.146 -8.542 -4.891) 9.845 13.300 ( -3.555 -10.249 -3.454) 11.385 13.644 ( 5.610 -5.461 -11.804) 14.164 13.748 ( -5.162 -3.506 -12.179) 13.684 14.295 ( 6.983 10.330 4.937) 13.410 14.433 ( -6.365 15.211 6.148) 17.598 14.850 ( 11.030 11.303 -1.809) 15.897 15.072 ( -8.823 15.716 -4.589) 18.598 15.232 ( 2.514 6.750 1.803) 7.425 15.291 ( -2.039 10.832 0.793) 11.051 15.576 ( 4.741 2.135 11.027) 12.191 15.728 ( -11.166 -1.070 4.389) 12.045 17.352 ( 3.049 -8.456 17.069) 19.291 17.432 ( -5.116 -15.745 17.577) 24.146 17.788 ( 1.348 -28.974 -2.113) 29.082 17.813 ( -1.269 -29.057 -1.998) 29.153 18.123 ( 6.083 -1.711 13.496) 14.902 18.299 ( -13.078 8.662 18.669) 24.384 19.928 ( 8.585 9.480 -12.822) 18.110 20.133 ( -8.228 11.185 -10.992) 17.710 20.483 ( -0.309 23.543 5.954) 24.286 20.604 ( -11.628 16.031 2.098) 19.915 20.934 ( 1.047 13.308 -2.342) 13.553 21.008 ( -7.098 11.597 -3.876) 14.138 24.217 ( 14.010 -6.287 3.937) 15.853 24.437 ( -8.333 -7.243 -3.193) 11.493 25.559 ( 9.142 -17.533 -4.867) 20.364 25.625 ( 2.096 -19.631 -5.285) 20.437 ======================= Grid point 85 (31/72) ======================= q-point: ( 0.00 0.14 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.86e-04 2.86e-04 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.339 ( 0.000 28.879 3.441) 29.083 1.388 ( 0.000 27.457 11.142) 29.631 2.098 ( 0.000 6.838 -18.379) 19.610 2.180 ( 0.000 14.477 -18.712) 23.658 2.494 ( 0.000 6.011 -0.991) 6.092 2.538 ( 0.000 17.182 7.369) 18.695 2.597 ( 0.000 31.126 20.916) 37.501 2.900 ( 0.000 8.005 7.708) 11.113 2.973 ( 0.000 5.660 9.487) 11.047 3.000 ( 0.000 11.496 2.898) 11.856 3.116 ( 0.000 3.452 1.707) 3.851 3.131 ( 0.000 6.768 -3.344) 7.549 3.258 ( 0.000 10.626 -4.398) 11.501 3.264 ( 0.000 1.342 9.720) 9.812 3.420 ( 0.000 7.749 1.024) 7.817 3.585 ( 0.000 8.787 -5.200) 10.210 3.651 ( 0.000 10.292 -0.559) 10.307 3.826 ( 0.000 11.343 3.809) 11.965 3.844 ( 0.000 11.062 -10.636) 15.346 4.069 ( 0.000 5.748 1.918) 6.060 4.407 ( 0.000 5.620 2.195) 6.034 4.716 ( 0.000 2.775 3.322) 4.328 4.813 ( 0.000 2.344 -9.346) 9.636 5.044 ( 0.000 -0.311 -3.895) 3.907 5.579 ( 0.000 12.521 -2.371) 12.743 5.666 ( 0.000 7.088 -4.770) 8.543 5.870 ( 0.000 11.702 4.374) 12.492 5.893 ( 0.000 5.848 3.984) 7.076 6.066 ( 0.000 36.025 0.773) 36.033 6.132 ( 0.000 35.200 -1.262) 35.223 6.356 ( 0.000 17.354 2.714) 17.565 6.499 ( 0.000 16.252 -3.385) 16.601 6.894 ( 0.000 1.739 1.750) 2.467 7.039 ( 0.000 0.733 -2.676) 2.774 7.247 ( 0.000 0.241 0.196) 0.311 7.330 ( 0.000 7.889 -2.437) 8.257 7.458 ( 0.000 7.000 -6.503) 9.554 7.507 ( 0.000 -4.894 -11.125) 12.154 7.887 ( 0.000 9.054 9.262) 12.952 8.081 ( 0.000 2.845 4.034) 4.936 8.143 ( 0.000 -2.849 -0.017) 2.849 8.332 ( 0.000 2.312 -3.920) 4.551 8.730 ( 0.000 15.500 -3.329) 15.853 8.826 ( 0.000 -5.670 8.097) 9.885 8.872 ( 0.000 11.285 -9.643) 14.844 9.063 ( 0.000 -2.822 -1.908) 3.407 9.309 ( 0.000 10.931 2.761) 11.274 9.330 ( 0.000 8.954 3.219) 9.515 9.516 ( 0.000 11.600 6.521) 13.307 9.628 ( 0.000 5.068 4.706) 6.916 9.896 ( 0.000 0.734 1.047) 1.279 9.978 ( 0.000 12.080 -2.402) 12.317 10.170 ( 0.000 15.530 2.973) 15.812 10.283 ( 0.000 4.635 0.892) 4.720 10.576 ( 0.000 1.597 -4.577) 4.848 10.658 ( 0.000 1.312 -6.574) 6.703 11.002 ( 0.000 5.210 8.453) 9.929 11.279 ( 0.000 -3.252 -1.961) 3.798 11.297 ( 0.000 -7.253 -2.483) 7.666 11.591 ( 0.000 9.049 5.350) 10.512 11.809 ( 0.000 3.912 -17.226) 17.665 11.873 ( 0.000 4.347 16.151) 16.726 12.019 ( 0.000 4.668 -10.511) 11.501 12.068 ( 0.000 -11.687 15.825) 19.673 12.296 ( 0.000 -13.434 -2.592) 13.682 12.301 ( 0.000 -18.235 4.172) 18.706 12.479 ( 0.000 -29.665 -1.676) 29.712 12.480 ( 0.000 -13.284 5.012) 14.198 13.157 ( 0.000 -6.724 -28.848) 29.621 13.414 ( 0.000 10.915 -32.662) 34.437 13.496 ( 0.000 -1.412 4.506) 4.722 13.859 ( 0.000 -4.575 -6.697) 8.111 14.194 ( 0.000 5.633 -3.475) 6.619 14.433 ( 0.000 6.676 -6.761) 9.502 15.128 ( 0.000 -3.908 5.365) 6.638 15.331 ( 0.000 18.015 7.194) 19.399 15.486 ( 0.000 10.258 -2.967) 10.679 15.573 ( 0.000 3.947 15.417) 15.914 15.749 ( 0.000 10.453 -5.343) 11.739 15.969 ( 0.000 -4.378 -3.633) 5.690 17.120 ( 0.000 -8.506 -2.508) 8.868 17.232 ( 0.000 -9.019 -2.853) 9.459 17.247 ( 0.000 -23.838 -2.434) 23.962 17.255 ( 0.000 -26.576 -2.403) 26.684 17.868 ( 0.000 -5.288 26.994) 27.507 19.147 ( 0.000 8.898 -21.279) 23.064 19.761 ( 0.000 -26.553 30.997) 40.815 20.228 ( 0.000 -2.331 2.192) 3.200 21.290 ( 0.000 24.425 0.978) 24.444 21.357 ( 0.000 21.280 -1.844) 21.360 21.449 ( 0.000 10.065 1.170) 10.133 21.465 ( 0.000 9.085 -0.378) 9.093 23.777 ( 0.000 0.919 1.682) 1.917 24.078 ( 0.000 -7.409 -10.249) 12.646 24.717 ( 0.000 -16.056 10.995) 19.460 25.071 ( 0.000 -20.601 -2.752) 20.784 ======================= Grid point 86 (32/72) ======================= q-point: ( 0.20 0.14 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.86e-04 2.86e-04 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.425 ( 9.699 23.652 8.153) 26.831 1.492 ( 9.253 25.496 6.263) 27.837 2.075 ( -1.881 10.487 -15.540) 18.842 2.263 ( 5.646 9.614 -17.239) 20.531 2.427 ( -9.508 12.058 1.234) 15.405 2.486 ( -1.503 6.684 -1.885) 7.106 2.671 ( -11.100 11.895 9.352) 18.766 2.708 ( 3.643 28.187 18.687) 34.015 2.871 ( -4.640 5.564 4.963) 8.782 2.958 ( -5.479 8.520 -0.324) 10.135 3.104 ( 1.758 9.395 7.527) 12.166 3.136 ( -4.047 11.882 1.546) 12.647 3.243 ( 2.618 5.158 -0.610) 5.816 3.406 ( 6.538 4.734 1.127) 8.150 3.527 ( 6.099 7.631 -1.268) 9.851 3.562 ( 3.982 10.526 1.156) 11.313 3.697 ( -0.027 9.682 -2.485) 9.996 3.791 ( -1.823 8.028 4.141) 9.215 3.918 ( 4.434 9.485 -7.551) 12.909 4.062 ( -0.735 7.392 4.649) 8.764 4.421 ( 1.574 6.084 -0.618) 6.314 4.621 ( -7.843 6.229 0.956) 10.061 4.847 ( 2.905 1.477 -6.268) 7.065 5.019 ( -2.254 -0.173 -4.686) 5.203 5.626 ( 4.412 11.767 -0.804) 12.593 5.702 ( 3.427 6.240 -2.948) 7.706 5.908 ( 2.774 11.275 1.712) 11.737 5.937 ( 4.107 4.030 0.336) 5.763 6.053 ( -0.749 36.728 1.686) 36.774 6.137 ( 0.204 36.457 -1.599) 36.493 6.306 ( -4.940 17.582 3.075) 18.519 6.436 ( -6.160 17.737 -2.288) 18.915 6.959 ( 5.950 1.176 1.794) 6.325 7.088 ( 3.750 -0.364 -1.454) 4.038 7.285 ( 3.359 -1.163 -0.356) 3.573 7.338 ( 1.400 6.151 -1.235) 6.428 7.541 ( 7.852 5.595 -5.954) 11.332 7.576 ( 6.515 -4.362 -9.756) 12.516 7.873 ( -0.666 7.984 6.026) 10.025 7.968 ( -7.422 5.123 1.702) 9.178 8.157 ( -1.818 -3.744 2.127) 4.674 8.291 ( -5.027 3.324 -3.954) 7.208 8.777 ( 5.034 15.589 -2.844) 16.627 8.854 ( 2.642 -5.113 6.494) 8.678 8.928 ( 4.710 7.857 -6.656) 11.324 9.057 ( -0.079 -1.522 -1.834) 2.384 9.298 ( -1.409 7.331 4.040) 8.488 9.343 ( -0.183 6.258 2.313) 6.675 9.498 ( 0.365 13.989 3.196) 14.354 9.647 ( 2.080 9.355 4.442) 10.563 9.845 ( -5.672 5.245 -1.199) 7.818 9.950 ( -3.929 7.942 -1.569) 8.999 10.189 ( 2.634 15.074 1.396) 15.366 10.346 ( 5.027 13.066 1.762) 14.110 10.506 ( -4.955 -3.160 -2.605) 6.428 10.648 ( -0.258 -0.772 -4.965) 5.032 10.936 ( -6.278 5.616 6.990) 10.946 11.102 ( -10.690 0.586 -5.794) 12.173 11.301 ( -4.430 -5.430 -0.074) 7.008 11.563 ( -2.629 1.914 -3.226) 4.581 11.718 ( -8.168 12.520 -3.306) 15.310 11.832 ( -6.523 1.734 4.694) 8.221 12.047 ( 10.630 -5.356 9.058) 14.958 12.194 ( 5.544 -3.345 -1.955) 6.763 12.258 ( -0.308 -22.810 5.369) 23.436 12.405 ( 5.271 -19.681 0.418) 20.379 12.436 ( -1.853 -17.790 2.897) 18.119 12.514 ( 2.316 -17.570 2.245) 17.864 13.181 ( 2.094 -4.287 -24.080) 24.548 13.408 ( -2.000 9.775 -26.360) 28.185 13.493 ( 1.384 -2.493 -2.764) 3.971 13.804 ( -5.432 -3.369 -9.984) 11.855 14.269 ( 7.533 5.141 -0.557) 9.137 14.571 ( 12.066 7.440 -7.019) 15.818 15.031 ( -8.988 0.977 5.940) 10.817 15.359 ( 2.597 14.069 6.897) 15.882 15.441 ( -4.255 9.762 -2.062) 10.847 15.592 ( 1.599 3.999 12.827) 13.530 15.685 ( -5.191 12.469 -1.722) 13.615 15.888 ( -7.844 -2.870 -0.799) 8.391 17.118 ( 0.047 -11.046 -1.706) 11.177 17.202 ( -2.077 -15.518 -1.978) 15.781 17.257 ( 0.810 -20.930 -2.221) 21.063 17.271 ( 0.848 -20.782 -3.490) 21.090 17.916 ( 4.947 -5.010 27.635) 28.517 18.854 ( -25.900 2.056 13.633) 29.341 19.770 ( 3.406 -13.855 1.794) 14.380 20.230 ( -1.486 -5.693 -1.224) 6.010 21.195 ( -12.443 21.930 1.825) 25.280 21.241 ( -7.728 24.136 2.141) 25.433 21.321 ( -2.354 22.740 -1.992) 22.948 21.441 ( -5.671 14.367 -4.120) 15.985 23.843 ( 9.243 -3.426 5.235) 11.161 24.277 ( 7.032 -11.935 -12.360) 18.565 24.842 ( 13.972 -21.280 7.670) 26.587 25.126 ( 4.560 -21.738 -2.897) 22.399 ======================= Grid point 87 (33/72) ======================= q-point: ( 0.40 0.14 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.86e-04 2.86e-04 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.690 ( 15.348 14.106 8.048) 22.345 1.728 ( 15.725 21.159 2.144) 26.450 1.964 ( -10.534 11.284 -4.591) 16.106 2.101 ( -18.491 14.161 3.854) 23.607 2.409 ( 0.706 7.052 -4.792) 8.555 2.451 ( -2.709 12.271 -1.960) 12.718 2.508 ( 5.526 5.908 -13.105) 15.401 2.683 ( -8.976 7.909 -6.333) 13.536 2.873 ( 1.853 12.359 9.943) 15.970 2.908 ( -2.226 11.330 4.271) 12.311 3.095 ( 4.160 12.569 8.664) 15.823 3.183 ( -2.493 7.523 5.807) 9.825 3.300 ( 12.774 17.522 3.013) 21.892 3.524 ( 4.912 7.164 2.172) 8.953 3.610 ( -3.489 13.511 6.530) 15.406 3.631 ( -4.049 6.140 -1.958) 7.611 3.648 ( -0.243 9.510 1.744) 9.672 3.674 ( -4.791 10.246 0.136) 11.311 3.996 ( 4.438 7.427 0.093) 8.653 4.058 ( -0.855 6.767 3.009) 7.455 4.459 ( 1.761 5.565 -3.813) 6.972 4.498 ( -3.634 6.815 -1.922) 7.959 4.911 ( 3.301 1.433 -5.395) 6.485 4.968 ( -2.769 0.922 -5.234) 5.992 5.720 ( 4.772 9.719 0.932) 10.868 5.772 ( 1.371 1.985 -0.041) 2.413 5.939 ( 2.101 19.812 -3.234) 20.184 5.997 ( -0.417 5.079 -4.363) 6.709 6.077 ( 3.315 32.111 2.123) 32.351 6.137 ( -0.801 38.378 -1.076) 38.401 6.208 ( -2.059 16.209 4.024) 16.828 6.292 ( -7.572 18.773 0.094) 20.242 7.076 ( 5.001 1.035 1.511) 5.326 7.129 ( -0.231 0.507 0.625) 0.837 7.347 ( 2.682 1.519 -0.593) 3.139 7.372 ( 0.714 0.736 -0.427) 1.111 7.710 ( 6.594 -0.314 -4.612) 8.053 7.732 ( 8.239 -1.537 -5.345) 9.941 7.849 ( -1.509 5.098 0.293) 5.325 7.896 ( 0.633 2.863 -0.257) 2.944 8.073 ( -4.702 0.697 1.100) 4.879 8.137 ( -9.237 5.083 -1.564) 10.659 8.901 ( 3.680 -1.958 2.029) 4.636 8.924 ( 3.886 -1.333 -0.872) 4.199 8.993 ( 5.518 9.883 0.828) 11.349 9.111 ( 3.965 8.387 -2.900) 9.720 9.218 ( -5.897 2.822 1.571) 6.723 9.280 ( -6.045 1.605 0.705) 6.294 9.563 ( 5.505 15.329 1.770) 16.384 9.694 ( -7.611 12.781 0.906) 14.903 9.731 ( 5.570 14.026 0.172) 15.093 9.848 ( -5.801 10.609 0.183) 12.093 10.264 ( 3.898 12.428 -1.047) 13.067 10.336 ( -4.054 14.551 -3.097) 15.419 10.510 ( 4.312 -6.734 2.975) 8.532 10.631 ( -4.710 -3.935 -3.535) 7.083 10.866 ( 2.338 6.194 -0.727) 6.660 10.942 ( -4.856 4.583 -6.744) 9.491 11.212 ( -1.176 1.405 1.557) 2.404 11.355 ( -14.166 6.121 -1.709) 15.526 11.686 ( 3.545 4.019 3.701) 6.513 11.760 ( -3.489 2.579 0.588) 4.378 12.204 ( 4.833 -14.145 5.128) 15.803 12.244 ( -0.065 -13.950 1.752) 14.060 12.291 ( 3.368 -20.402 4.182) 21.097 12.362 ( -3.726 -22.611 3.905) 23.246 12.529 ( 4.735 -11.700 3.056) 12.987 12.561 ( 1.453 -11.089 4.051) 11.895 13.233 ( 3.658 2.227 -17.471) 17.989 13.328 ( -5.454 7.749 -19.038) 21.266 13.562 ( 5.128 -3.445 -10.850) 12.485 13.679 ( -6.711 -3.538 -12.158) 14.331 14.454 ( 10.962 6.413 2.559) 12.955 14.667 ( -8.583 8.369 3.263) 12.424 15.006 ( 13.132 4.753 -7.708) 15.951 15.287 ( -11.686 6.485 -10.361) 16.911 15.442 ( 5.001 12.598 10.263) 17.001 15.562 ( -6.813 9.612 8.065) 14.278 15.641 ( 2.834 6.416 8.052) 10.679 15.727 ( -6.664 1.830 6.598) 9.554 17.130 ( 1.176 -14.320 -0.974) 14.401 17.162 ( -2.004 -15.862 -1.172) 16.031 17.272 ( 0.651 -19.354 -2.764) 19.561 17.279 ( -0.038 -19.073 -3.390) 19.372 18.067 ( 11.137 -3.793 29.863) 32.097 18.371 ( -20.846 -1.365 31.039) 37.415 19.910 ( 10.347 -8.061 -14.474) 19.533 20.122 ( -9.698 -8.946 -11.292) 17.366 21.038 ( -2.688 27.985 3.183) 28.294 21.082 ( -6.361 27.813 2.851) 28.674 21.307 ( 0.452 22.634 -2.400) 22.765 21.344 ( -3.568 20.724 -3.325) 21.290 24.066 ( 11.783 -8.424 3.510) 14.904 24.254 ( -6.858 -10.941 -2.795) 13.212 25.111 ( 9.863 -25.722 -1.002) 27.566 25.192 ( 0.805 -24.190 -2.744) 24.358 ======================= Grid point 90 (34/72) ======================= q-point: ( 0.00 0.21 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.86e-04 2.86e-04 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.888 ( 0.000 26.660 -2.080) 26.741 1.918 ( 0.000 26.603 5.775) 27.223 2.310 ( 0.000 13.984 -13.672) 19.557 2.463 ( 0.000 13.411 -13.013) 18.687 2.638 ( 0.000 8.717 -0.040) 8.717 2.740 ( 0.000 10.695 -4.164) 11.477 3.065 ( 0.000 9.105 8.825) 12.680 3.091 ( 0.000 1.417 10.079) 10.178 3.091 ( 0.000 6.240 8.983) 10.938 3.174 ( 0.000 7.537 2.784) 8.035 3.266 ( 0.000 7.185 -2.537) 7.620 3.353 ( 0.000 32.690 16.019) 36.405 3.412 ( 0.000 4.679 -2.606) 5.356 3.424 ( 0.000 11.033 2.271) 11.264 3.597 ( 0.000 10.024 5.629) 11.496 3.654 ( 0.000 0.263 -10.567) 10.570 3.870 ( 0.000 12.282 -0.590) 12.296 4.037 ( 0.000 9.841 4.336) 10.754 4.074 ( 0.000 10.715 -2.363) 10.973 4.299 ( 0.000 15.244 10.453) 18.484 4.542 ( 0.000 8.598 -6.694) 10.896 4.824 ( 0.000 8.577 -1.994) 8.806 4.864 ( 0.000 2.296 -8.680) 8.978 5.052 ( 0.000 1.427 -3.674) 3.942 5.711 ( 0.000 0.025 -2.646) 2.646 5.723 ( 0.000 5.079 -5.100) 7.198 5.870 ( 0.000 -4.680 3.493) 5.840 5.950 ( 0.000 -0.160 1.314) 1.324 6.680 ( 0.000 17.048 0.360) 17.052 6.727 ( 0.000 24.657 -1.531) 24.705 6.835 ( 0.000 20.214 0.902) 20.234 6.868 ( 0.000 13.980 -0.253) 13.982 6.980 ( 0.000 13.476 3.391) 13.896 7.111 ( 0.000 7.854 -1.850) 8.069 7.300 ( 0.000 6.635 1.247) 6.751 7.441 ( 0.000 -0.960 -5.830) 5.908 7.578 ( 0.000 17.513 -6.731) 18.762 7.659 ( 0.000 13.987 -9.682) 17.011 8.097 ( 0.000 -1.619 8.197) 8.356 8.116 ( 0.000 14.230 6.304) 15.563 8.200 ( 0.000 9.075 3.424) 9.699 8.424 ( 0.000 7.485 -3.778) 8.384 8.752 ( 0.000 2.175 9.551) 9.795 8.963 ( 0.000 2.545 -2.463) 3.542 9.066 ( 0.000 15.967 -5.883) 17.016 9.223 ( 0.000 15.606 -6.738) 16.998 9.544 ( 0.000 14.496 2.778) 14.760 9.583 ( 0.000 17.130 2.889) 17.372 9.722 ( 0.000 7.756 5.202) 9.339 9.758 ( 0.000 7.803 2.764) 8.278 9.972 ( 0.000 8.455 5.003) 9.825 10.056 ( 0.000 -0.160 5.093) 5.096 10.279 ( 0.000 -2.315 5.481) 5.949 10.524 ( 0.000 18.524 -7.663) 20.047 10.678 ( 0.000 5.721 -10.693) 12.127 10.768 ( 0.000 3.550 -10.290) 10.886 10.990 ( 0.000 -18.866 4.277) 19.345 11.093 ( 0.000 -1.462 0.170) 1.472 11.174 ( 0.000 -10.250 -1.339) 10.338 11.453 ( 0.000 -29.600 -9.630) 31.127 11.647 ( 0.000 -13.326 7.984) 15.535 11.735 ( 0.000 0.867 18.471) 18.491 11.834 ( 0.000 -24.673 -0.592) 24.680 12.087 ( 0.000 8.827 -0.794) 8.863 12.101 ( 0.000 8.638 15.876) 18.074 12.200 ( 0.000 7.367 -1.412) 7.501 12.359 ( 0.000 0.393 9.423) 9.431 12.415 ( 0.000 6.374 -5.054) 8.135 13.014 ( 0.000 -8.025 -26.124) 27.328 13.447 ( 0.000 -3.051 4.142) 5.144 13.577 ( 0.000 4.158 -19.178) 19.624 13.741 ( 0.000 -6.605 -4.119) 7.784 14.347 ( 0.000 10.263 -12.851) 16.446 14.555 ( 0.000 5.381 -8.478) 10.041 15.036 ( 0.000 -4.903 4.057) 6.363 15.526 ( 0.000 2.214 -9.527) 9.781 15.578 ( 0.000 -4.708 12.792) 13.631 15.679 ( 0.000 7.185 2.285) 7.540 15.793 ( 0.000 -2.741 -1.206) 2.995 15.881 ( 0.000 -5.007 -0.062) 5.008 16.829 ( 0.000 -13.546 1.261) 13.604 16.922 ( 0.000 -10.534 2.712) 10.877 17.027 ( 0.000 -8.286 -0.039) 8.286 17.155 ( 0.000 6.256 -16.339) 17.496 17.844 ( 0.000 2.917 26.228) 26.390 19.210 ( 0.000 -1.564 -24.400) 24.450 19.222 ( 0.000 -27.067 36.969) 45.819 20.038 ( 0.000 -14.970 -0.592) 14.982 21.606 ( 0.000 5.525 -0.316) 5.534 21.636 ( 0.000 8.921 -1.217) 9.004 21.754 ( 0.000 21.067 0.521) 21.073 21.777 ( 0.000 18.513 -0.334) 18.516 23.802 ( 0.000 1.370 0.389) 1.424 23.952 ( 0.000 -5.186 -6.285) 8.148 24.382 ( 0.000 -17.648 7.990) 19.372 24.648 ( 0.000 -22.372 -2.753) 22.541 ======================= Grid point 91 (35/72) ======================= q-point: ( 0.20 0.21 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.86e-04 2.86e-04 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.895 ( 2.413 24.166 3.927) 24.602 1.990 ( 6.094 24.719 1.042) 25.480 2.318 ( -1.370 13.614 -10.244) 17.093 2.470 ( 1.785 10.880 -12.704) 16.822 2.628 ( -2.433 8.643 -1.047) 9.039 2.680 ( -6.053 12.620 -2.014) 14.141 2.806 ( -12.229 7.049 6.483) 15.533 2.990 ( -7.145 7.331 3.534) 10.830 3.126 ( -2.035 11.255 2.473) 11.701 3.194 ( 0.872 9.159 6.000) 10.984 3.310 ( -3.664 7.934 2.059) 8.978 3.356 ( 0.872 12.424 -0.788) 12.480 3.444 ( 7.333 13.580 5.850) 16.504 3.516 ( 8.047 11.010 4.720) 14.431 3.661 ( 3.735 7.657 -2.637) 8.918 3.749 ( 10.432 9.038 3.804) 14.318 3.900 ( 0.196 11.311 -0.684) 11.334 3.969 ( -4.574 8.975 6.499) 11.988 4.103 ( 1.659 8.122 -0.776) 8.326 4.285 ( -1.501 13.962 10.647) 17.623 4.566 ( 2.160 8.996 -7.419) 11.859 4.786 ( -3.880 10.424 -2.928) 11.502 4.895 ( 2.725 3.116 -7.707) 8.748 5.029 ( -1.803 1.753 -4.595) 5.238 5.723 ( 1.290 -0.292 -2.102) 2.483 5.753 ( 2.441 2.931 -3.679) 5.300 5.894 ( 2.183 -4.856 1.853) 5.637 5.958 ( 0.646 -1.718 0.362) 1.871 6.695 ( -1.228 22.140 0.807) 22.189 6.712 ( -0.861 19.503 -0.697) 19.535 6.808 ( 0.730 24.272 2.628) 24.425 6.901 ( 1.363 20.249 -1.112) 20.326 7.026 ( 4.723 8.859 1.868) 10.211 7.137 ( 2.632 6.980 -1.557) 7.620 7.300 ( 0.417 5.230 1.519) 5.462 7.506 ( 4.367 1.253 -6.875) 8.240 7.548 ( -1.002 12.312 -3.820) 12.930 7.718 ( 5.277 12.329 -9.724) 16.565 8.034 ( -4.644 2.867 6.730) 8.665 8.131 ( -3.149 11.570 0.829) 12.020 8.169 ( 0.536 9.951 7.818) 12.666 8.423 ( -0.695 11.285 -3.864) 11.948 8.792 ( 3.428 1.364 7.881) 8.702 8.937 ( -1.643 2.845 -1.410) 3.575 9.131 ( 4.649 15.025 -3.663) 16.148 9.217 ( -0.042 13.608 -4.967) 14.486 9.453 ( -5.481 8.689 2.486) 10.570 9.518 ( -5.599 12.208 1.484) 13.512 9.784 ( 5.280 14.938 3.396) 16.203 9.850 ( 5.460 8.546 4.617) 11.143 9.975 ( 1.612 8.813 2.215) 9.229 10.054 ( -0.626 5.853 3.293) 6.745 10.313 ( 2.913 -2.960 5.383) 6.798 10.478 ( -5.374 11.147 -8.198) 14.844 10.626 ( -4.395 6.519 -6.071) 9.933 10.756 ( 0.915 4.899 -5.720) 7.587 11.008 ( -1.630 -15.303 -2.439) 15.582 11.035 ( -5.427 2.327 4.735) 7.569 11.112 ( -3.102 -9.268 -3.888) 10.519 11.379 ( -5.995 -28.080 -8.316) 29.893 11.647 ( -0.689 -14.418 5.556) 15.467 11.685 ( -3.792 -2.230 12.143) 12.915 11.837 ( 0.122 -23.534 0.325) 23.536 12.030 ( -7.183 3.119 9.698) 12.465 12.133 ( 2.303 10.865 1.191) 11.170 12.189 ( -0.710 6.005 4.903) 7.785 12.344 ( 3.208 0.696 4.753) 5.776 12.505 ( 4.856 3.495 1.181) 6.098 13.090 ( 7.012 -5.397 -22.115) 23.820 13.402 ( -3.040 -4.536 1.110) 5.572 13.578 ( -0.028 4.489 -18.550) 19.085 13.728 ( -2.390 -3.852 -7.736) 8.966 14.401 ( 6.219 8.933 -8.949) 14.091 14.691 ( 11.815 4.830 -8.095) 15.115 14.997 ( -3.804 -2.940 2.400) 5.373 15.500 ( -3.612 0.733 -11.883) 12.442 15.574 ( -0.302 -3.321 12.472) 12.911 15.651 ( -2.578 4.894 4.796) 7.321 15.771 ( -1.529 -1.025 -0.304) 1.866 15.849 ( -2.886 -2.365 0.823) 3.821 16.828 ( -0.052 -12.744 1.721) 12.859 16.900 ( -1.950 -9.580 2.275) 10.038 17.043 ( 1.565 -7.624 -1.575) 7.941 17.149 ( -0.736 3.745 -14.512) 15.005 17.882 ( 4.032 1.955 27.821) 28.179 18.751 ( -26.443 -10.676 26.886) 39.193 19.497 ( 11.017 -13.356 -11.435) 20.749 20.004 ( -3.997 -15.637 -4.357) 16.718 21.529 ( -4.081 12.622 1.372) 13.336 21.657 ( -1.646 10.754 -2.856) 11.248 21.704 ( -3.218 19.579 1.026) 19.868 21.762 ( -1.306 18.873 -0.665) 18.930 23.802 ( 3.290 -0.917 3.029) 4.565 24.063 ( 4.064 -9.728 -7.724) 13.070 24.448 ( 8.059 -18.902 6.971) 21.699 24.686 ( 3.015 -22.852 -2.742) 23.213 ======================= Grid point 92 (36/72) ======================= q-point: ( 0.40 0.21 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.86e-04 2.86e-04 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.998 ( 8.198 17.121 6.057) 19.925 2.146 ( 8.436 20.530 -0.820) 22.211 2.196 ( -8.193 12.274 0.892) 14.784 2.393 ( -14.033 14.733 1.816) 20.428 2.577 ( 6.237 10.227 -7.846) 14.319 2.649 ( -0.548 9.786 -4.955) 10.982 2.711 ( 0.734 13.113 -4.381) 13.845 2.830 ( -8.874 7.981 -5.227) 13.029 3.116 ( 0.811 12.455 2.971) 12.830 3.158 ( -3.465 12.455 1.982) 13.079 3.270 ( 1.484 7.224 1.806) 7.593 3.324 ( -3.265 6.733 -2.072) 7.765 3.627 ( 9.821 7.146 3.250) 12.573 3.703 ( 9.970 14.954 9.801) 20.471 3.771 ( 5.094 7.263 1.068) 8.935 3.803 ( -7.947 9.053 1.595) 12.151 3.874 ( 0.679 11.613 1.245) 11.699 3.900 ( -4.028 13.356 9.830) 17.066 4.156 ( 4.205 7.489 4.011) 9.479 4.238 ( -3.468 11.375 8.929) 14.871 4.616 ( 2.948 9.999 -6.862) 12.480 4.691 ( -4.978 12.102 -4.350) 13.790 4.953 ( 2.910 3.173 -7.253) 8.434 4.997 ( -1.652 2.406 -6.383) 7.019 5.758 ( 2.073 -1.572 -1.049) 2.805 5.783 ( 0.080 -0.166 -2.127) 2.135 5.940 ( 2.223 -5.047 -0.299) 5.523 5.965 ( -0.229 -4.095 -1.012) 4.225 6.656 ( -1.140 21.576 1.852) 21.685 6.671 ( -2.376 21.091 1.760) 21.297 6.865 ( 3.147 31.731 -0.032) 31.887 6.905 ( -0.963 29.209 -1.592) 29.268 7.137 ( 5.451 6.162 1.676) 8.396 7.187 ( 0.894 6.322 0.603) 6.413 7.334 ( 3.932 1.018 -0.059) 4.062 7.443 ( -5.937 5.027 -3.602) 8.573 7.684 ( 9.375 -0.563 -2.433) 9.702 7.814 ( 0.767 6.328 -4.820) 7.991 7.936 ( -2.073 4.375 0.548) 4.873 8.022 ( -6.495 10.952 -0.698) 12.752 8.241 ( 6.005 17.238 4.036) 18.695 8.366 ( -5.500 18.449 -1.544) 19.313 8.855 ( 2.694 0.556 4.341) 5.139 8.901 ( -2.200 1.043 1.064) 2.656 9.215 ( 4.929 10.713 0.463) 11.802 9.254 ( 3.092 8.919 -1.793) 9.609 9.369 ( -3.989 9.368 -0.013) 10.182 9.394 ( -6.142 9.949 0.313) 11.697 9.874 ( 4.462 14.239 3.331) 15.289 9.963 ( 1.231 13.592 2.714) 13.915 9.982 ( 2.055 10.755 -0.888) 10.985 10.058 ( 0.312 13.415 2.531) 13.655 10.332 ( -0.518 -4.569 -4.662) 6.548 10.394 ( -4.059 4.951 -6.030) 8.795 10.568 ( 3.163 5.731 7.015) 9.595 10.724 ( -8.182 6.161 3.022) 10.679 10.945 ( 0.633 -3.659 -4.446) 5.792 10.966 ( -1.949 -3.140 -6.394) 7.385 11.119 ( 3.693 -12.027 -3.769) 13.133 11.249 ( -7.611 -20.179 -6.034) 22.395 11.624 ( -1.245 -12.071 6.137) 13.598 11.626 ( -1.656 -7.890 5.575) 9.801 11.844 ( 1.000 -18.917 1.585) 19.010 11.896 ( -5.012 -7.590 4.213) 10.024 12.157 ( 0.558 9.144 3.968) 9.983 12.168 ( -0.898 6.140 5.777) 8.479 12.461 ( 6.514 -0.730 6.503) 9.233 12.544 ( -1.352 0.482 5.182) 5.377 13.246 ( 7.893 -3.131 -16.306) 18.385 13.352 ( -2.972 -5.199 -8.253) 10.197 13.584 ( 1.212 4.286 -14.823) 15.477 13.647 ( -4.945 1.183 -11.937) 12.974 14.574 ( 10.777 6.699 -3.088) 13.059 14.776 ( -7.956 3.839 0.270) 8.838 15.060 ( 14.382 0.959 -10.222) 17.671 15.345 ( -12.531 -0.569 -13.341) 18.312 15.577 ( 0.731 -1.613 11.277) 11.415 15.603 ( -1.997 0.623 9.133) 9.369 15.760 ( 0.591 1.811 0.942) 2.125 15.792 ( -2.546 1.875 1.669) 3.575 16.833 ( 0.744 -10.911 2.192) 11.154 16.860 ( -1.946 -9.327 2.092) 9.755 17.082 ( 2.286 -5.313 -5.389) 7.906 17.124 ( -1.854 -1.172 -10.235) 10.467 18.012 ( 9.970 -0.802 31.989) 33.516 18.292 ( -19.422 -5.087 34.790) 40.168 19.693 ( 9.810 -13.395 -16.508) 23.413 19.877 ( -8.724 -15.136 -12.268) 21.347 21.494 ( 0.927 18.357 2.596) 18.563 21.561 ( -5.441 19.933 1.718) 20.733 21.697 ( 1.044 15.622 -2.126) 15.801 21.728 ( -1.935 17.806 -1.711) 17.993 23.917 ( 7.213 -6.494 2.516) 10.026 24.041 ( -4.855 -10.329 -1.705) 11.540 24.634 ( 8.256 -22.530 0.761) 24.007 24.719 ( -0.638 -23.571 -1.957) 23.661 ======================= Grid point 95 (37/72) ======================= q-point: ( 0.00 0.29 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.86e-04 2.86e-04 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.353 ( 0.000 21.053 -2.561) 21.208 2.403 ( 0.000 22.959 1.983) 23.044 2.583 ( 0.000 12.627 -10.196) 16.229 2.660 ( 0.000 6.844 -7.293) 10.001 2.828 ( 0.000 10.808 0.769) 10.835 2.968 ( 0.000 12.246 -5.163) 13.290 3.088 ( 0.000 -0.205 11.136) 11.138 3.196 ( 0.000 3.840 8.473) 9.302 3.208 ( 0.000 4.962 3.575) 6.116 3.338 ( 0.000 9.615 3.789) 10.335 3.400 ( 0.000 6.278 -2.172) 6.643 3.467 ( 0.000 0.996 -3.541) 3.678 3.592 ( 0.000 6.527 -1.002) 6.603 3.627 ( 0.000 0.745 -1.304) 1.502 3.802 ( 0.000 7.863 4.633) 9.127 3.966 ( 0.000 28.052 11.061) 30.154 4.084 ( 0.000 7.704 4.546) 8.945 4.217 ( 0.000 9.697 0.080) 9.698 4.218 ( 0.000 4.940 1.211) 5.086 4.570 ( 0.000 11.701 11.483) 16.394 4.745 ( 0.000 11.391 -9.701) 14.962 4.893 ( 0.000 1.051 -5.797) 5.891 5.034 ( 0.000 11.949 -7.933) 14.343 5.101 ( 0.000 3.388 -3.493) 4.866 5.681 ( 0.000 -2.222 1.860) 2.897 5.810 ( 0.000 3.758 -4.099) 5.561 5.824 ( 0.000 0.815 0.821) 1.157 5.935 ( 0.000 -0.256 -3.335) 3.345 6.831 ( 0.000 2.747 0.124) 2.749 6.937 ( 0.000 5.138 -3.031) 5.966 7.035 ( 0.000 6.314 -0.264) 6.319 7.065 ( 0.000 7.710 -0.857) 7.757 7.224 ( 0.000 1.645 4.252) 4.559 7.360 ( 0.000 16.297 4.100) 16.805 7.515 ( 0.000 12.556 -1.931) 12.704 7.521 ( 0.000 8.292 2.601) 8.691 7.874 ( 0.000 9.741 -6.057) 11.470 7.993 ( 0.000 19.210 -9.923) 21.621 8.104 ( 0.000 2.870 12.516) 12.840 8.396 ( 0.000 12.508 4.361) 13.246 8.430 ( 0.000 15.433 0.998) 15.465 8.624 ( 0.000 12.403 -4.689) 13.260 8.923 ( 0.000 14.423 7.746) 16.371 9.042 ( 0.000 4.662 -0.205) 4.667 9.343 ( 0.000 12.410 -2.728) 12.706 9.524 ( 0.000 11.335 -6.811) 13.224 9.786 ( 0.000 1.908 0.703) 2.033 9.799 ( 0.000 6.044 4.618) 7.606 9.905 ( 0.000 7.894 4.518) 9.095 9.944 ( 0.000 12.660 -2.617) 12.928 10.142 ( 0.000 11.566 2.532) 11.840 10.171 ( 0.000 6.923 4.849) 8.452 10.323 ( 0.000 11.232 0.819) 11.262 10.565 ( 0.000 -29.033 -4.754) 29.419 10.591 ( 0.000 -14.110 -1.141) 14.156 10.632 ( 0.000 -17.629 -5.020) 18.330 10.752 ( 0.000 -1.602 -6.463) 6.659 10.858 ( 0.000 2.837 -8.602) 9.058 10.986 ( 0.000 -6.645 -0.764) 6.688 11.267 ( 0.000 9.537 2.153) 9.777 11.529 ( 0.000 -0.309 14.558) 14.562 11.596 ( 0.000 -2.669 -6.592) 7.112 11.747 ( 0.000 1.552 4.204) 4.481 12.186 ( 0.000 2.833 6.852) 7.415 12.266 ( 0.000 7.692 2.395) 8.056 12.419 ( 0.000 11.548 20.421) 23.460 12.439 ( 0.000 -4.029 -10.340) 11.097 12.570 ( 0.000 18.293 3.019) 18.540 12.858 ( 0.000 -7.579 -14.597) 16.447 13.393 ( 0.000 -2.373 4.111) 4.747 13.527 ( 0.000 -7.993 6.020) 10.006 13.674 ( 0.000 -1.174 -11.459) 11.519 14.579 ( 0.000 13.030 -14.846) 19.753 14.618 ( 0.000 0.724 -6.648) 6.687 14.953 ( 0.000 -3.624 2.815) 4.589 15.406 ( 0.000 -11.137 2.205) 11.353 15.474 ( 0.000 -7.085 -10.905) 13.004 15.695 ( 0.000 -3.649 -5.228) 6.376 15.727 ( 0.000 -3.363 -9.342) 9.929 15.774 ( 0.000 -5.091 -9.126) 10.450 16.749 ( 0.000 3.409 10.362) 10.909 16.850 ( 0.000 2.113 8.898) 9.146 16.885 ( 0.000 -4.977 16.587) 17.317 17.315 ( 0.000 7.475 -15.640) 17.334 17.968 ( 0.000 9.310 14.615) 17.328 18.764 ( 0.000 -18.926 35.463) 40.197 19.120 ( 0.000 -6.937 -23.952) 24.936 19.706 ( 0.000 -18.303 -3.800) 18.693 21.665 ( 0.000 1.027 0.513) 1.148 21.744 ( 0.000 2.238 -2.615) 3.442 22.042 ( 0.000 8.188 1.100) 8.262 22.077 ( 0.000 11.282 -0.346) 11.287 23.822 ( 0.000 0.521 0.153) 0.543 23.878 ( 0.000 -2.974 -2.754) 4.053 24.066 ( 0.000 -13.947 4.822) 14.757 24.234 ( 0.000 -19.489 -1.992) 19.590 ======================= Grid point 96 (38/72) ======================= q-point: ( 0.20 0.29 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.86e-04 2.86e-04 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.340 ( -1.165 21.019 0.843) 21.068 2.429 ( 2.913 20.336 0.161) 20.544 2.548 ( -5.308 9.081 -4.107) 11.292 2.669 ( 2.714 9.549 -9.875) 14.002 2.801 ( -4.279 8.973 0.599) 9.959 2.898 ( -5.805 9.910 2.017) 11.661 2.975 ( -2.477 9.969 0.752) 10.299 3.139 ( -5.129 7.197 2.219) 9.112 3.318 ( -0.172 8.085 3.718) 8.901 3.330 ( 3.333 5.570 3.260) 7.264 3.415 ( -0.047 5.575 -1.490) 5.771 3.496 ( 0.081 -0.156 -4.273) 4.276 3.561 ( 3.432 7.812 1.429) 8.652 3.700 ( 4.051 2.992 -3.580) 6.179 3.913 ( 11.513 7.772 7.834) 15.947 4.001 ( 2.226 18.634 9.583) 21.071 4.093 ( 0.271 6.526 8.765) 10.931 4.130 ( -6.200 9.486 1.407) 11.420 4.226 ( -0.651 6.758 0.839) 6.841 4.555 ( -2.448 13.092 11.175) 17.386 4.751 ( 1.516 8.792 -9.925) 13.346 4.933 ( 3.499 3.052 -6.237) 7.775 5.022 ( -1.467 11.432 -6.272) 13.121 5.108 ( 0.383 6.214 -5.595) 8.370 5.683 ( 0.445 -2.439 1.837) 3.085 5.794 ( -1.382 0.717 -2.914) 3.304 5.847 ( 1.864 1.109 -0.876) 2.339 5.925 ( -0.881 -0.903 -3.119) 3.364 6.890 ( 3.851 2.713 -0.784) 4.776 6.952 ( 1.206 7.978 -1.117) 8.146 7.021 ( 3.121 6.300 3.053) 7.665 7.113 ( -0.012 5.761 4.428) 7.266 7.224 ( 3.815 7.108 -3.771) 8.904 7.427 ( 4.378 12.969 0.149) 13.688 7.474 ( -2.510 9.260 0.646) 9.616 7.579 ( 4.578 9.504 2.306) 10.799 7.819 ( -5.216 10.745 -4.074) 12.619 7.981 ( -3.672 9.286 0.673) 10.008 8.096 ( 1.262 11.573 -0.717) 11.664 8.377 ( -3.609 13.352 0.250) 13.833 8.465 ( 6.034 17.040 5.345) 18.851 8.688 ( 4.902 13.097 -3.524) 14.422 8.942 ( 1.580 14.070 7.067) 15.824 9.021 ( -2.035 4.775 1.244) 5.337 9.400 ( 4.629 11.538 -4.122) 13.097 9.486 ( -3.550 11.593 -3.804) 12.707 9.637 ( -7.385 9.229 0.863) 11.852 9.769 ( -6.266 10.707 -0.759) 12.429 9.876 ( -1.649 0.887 4.258) 4.651 10.020 ( 6.064 2.611 0.753) 6.645 10.180 ( 5.470 8.838 1.300) 10.475 10.285 ( 6.973 10.779 4.756) 13.691 10.328 ( -0.197 8.103 -0.997) 8.167 10.537 ( -1.626 -19.992 -5.752) 20.867 10.595 ( -1.252 -10.250 0.494) 10.338 10.641 ( -0.577 -16.178 -1.520) 16.259 10.713 ( -1.759 -7.493 -6.038) 9.783 10.815 ( -3.450 1.389 -9.864) 10.542 10.942 ( -3.703 -8.097 -0.868) 8.946 11.165 ( -9.152 9.185 2.358) 13.179 11.517 ( -1.191 0.111 10.818) 10.884 11.625 ( 2.755 -1.222 -4.290) 5.243 11.691 ( -5.306 1.751 2.600) 6.163 12.088 ( -7.974 2.509 1.727) 8.536 12.329 ( 4.621 5.999 3.250) 8.241 12.375 ( -2.093 11.394 17.559) 21.037 12.489 ( -2.061 5.957 0.668) 6.339 12.517 ( 1.331 5.353 -1.135) 5.632 12.973 ( 8.648 -5.824 -9.743) 14.270 13.316 ( -5.118 -4.256 3.450) 7.497 13.578 ( 3.140 -3.780 0.682) 4.961 13.684 ( 0.543 -1.254 -10.411) 10.500 14.602 ( 4.036 10.602 -11.636) 16.250 14.750 ( 10.478 1.215 -6.223) 12.247 14.941 ( -1.108 -2.743 1.476) 3.306 15.405 ( -1.879 -9.694 -4.126) 10.702 15.443 ( -1.555 -7.999 -4.539) 9.328 15.657 ( -3.510 -2.171 -7.932) 8.941 15.724 ( -0.215 -4.073 -7.637) 8.658 15.768 ( -0.616 -4.561 -9.021) 10.127 16.757 ( 0.811 3.514 10.247) 10.863 16.835 ( -1.212 1.851 9.452) 9.707 16.919 ( 3.184 -4.026 14.225) 15.122 17.270 ( -4.652 5.802 -12.499) 14.544 17.988 ( 2.202 8.594 16.164) 18.439 18.533 ( -17.242 -9.586 30.661) 36.459 19.253 ( 8.949 -11.989 -18.368) 23.690 19.671 ( -3.769 -18.031 -6.688) 19.598 21.677 ( 1.551 3.255 1.063) 3.759 21.778 ( 3.036 2.876 -2.886) 5.081 21.990 ( -4.648 8.662 1.895) 10.011 22.052 ( -2.541 10.185 -0.680) 10.519 23.796 ( -0.290 -0.080 1.425) 1.456 23.902 ( -0.262 -7.155 -2.766) 7.676 24.131 ( 6.460 -13.166 3.453) 15.067 24.270 ( 2.863 -19.263 -1.844) 19.562 ======================= Grid point 97 (39/72) ======================= q-point: ( 0.40 0.29 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.86e-04 2.86e-04 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.335 ( 1.450 17.064 4.050) 17.598 2.414 ( -6.484 10.986 3.123) 13.134 2.518 ( 5.962 16.993 -0.863) 18.029 2.653 ( -7.621 11.971 -0.527) 14.200 2.769 ( 5.588 8.996 -7.572) 13.019 2.853 ( -1.955 9.928 -3.630) 10.750 2.950 ( 0.413 11.070 -2.078) 11.271 3.019 ( -6.179 11.450 -2.047) 13.171 3.322 ( 0.907 7.759 1.960) 8.054 3.345 ( -1.078 6.335 1.526) 6.605 3.415 ( 0.946 8.101 -1.220) 8.247 3.450 ( -2.624 6.120 -4.889) 8.261 3.714 ( 9.281 3.476 4.300) 10.803 3.800 ( 4.076 0.942 1.393) 4.409 3.959 ( -5.366 7.384 4.490) 10.173 3.985 ( -5.475 7.123 0.779) 9.017 4.131 ( 2.328 12.047 10.561) 16.189 4.139 ( 4.695 12.007 7.022) 14.680 4.252 ( 7.380 3.156 6.605) 10.395 4.445 ( -8.847 8.399 7.939) 14.555 4.824 ( 5.627 11.360 -6.432) 14.216 4.935 ( -4.775 12.400 -4.925) 14.171 5.035 ( 3.837 5.739 -7.409) 10.127 5.097 ( -1.955 7.926 -7.762) 11.265 5.708 ( 2.149 -2.776 1.003) 3.651 5.757 ( -2.484 -1.922 -1.150) 3.345 5.882 ( 1.540 -0.942 -2.360) 2.971 5.906 ( -1.042 -1.771 -2.914) 3.566 6.911 ( 0.977 7.293 3.020) 7.953 6.953 ( -2.839 9.567 3.899) 10.714 7.134 ( 7.466 4.225 -1.091) 8.647 7.193 ( 5.330 8.251 1.298) 9.908 7.294 ( 2.534 4.583 -3.983) 6.580 7.386 ( -3.505 6.728 -4.676) 8.911 7.547 ( 4.446 15.669 2.355) 16.457 7.640 ( -3.223 12.395 -0.119) 12.807 7.722 ( 1.905 7.659 3.838) 8.776 7.855 ( -8.012 1.047 7.524) 11.041 8.167 ( 5.405 16.533 -8.643) 19.423 8.282 ( -5.881 15.282 -4.374) 16.949 8.635 ( 10.095 20.321 4.205) 23.077 8.753 ( 0.080 16.567 -1.138) 16.606 8.947 ( -1.150 9.485 6.432) 11.518 8.965 ( -3.456 5.115 4.516) 7.648 9.440 ( 1.130 12.417 -1.435) 12.551 9.465 ( 1.114 10.629 -2.505) 10.976 9.552 ( -1.614 9.227 -0.712) 9.394 9.628 ( -7.507 13.766 -0.238) 15.682 9.925 ( 8.125 -2.278 -0.150) 8.440 10.096 ( -4.131 -3.537 -3.736) 6.598 10.256 ( 5.080 8.719 2.470) 10.389 10.350 ( 3.765 7.795 -1.308) 8.755 10.374 ( 0.933 5.865 3.811) 7.056 10.479 ( -9.064 -0.662 -2.869) 9.530 10.541 ( 2.101 -14.993 -3.961) 15.649 10.592 ( -2.722 -16.184 -3.261) 16.732 10.765 ( 5.115 -10.282 2.743) 11.807 10.793 ( 1.656 -4.754 -3.162) 5.945 10.871 ( -2.675 -2.650 -6.957) 7.910 10.966 ( -10.169 7.970 0.861) 12.949 11.501 ( 0.552 -0.085 6.327) 6.351 11.563 ( -5.617 0.213 5.102) 7.591 11.732 ( 7.344 1.819 -4.250) 8.677 11.906 ( -10.075 3.410 -1.933) 10.811 12.353 ( 1.099 10.363 11.999) 15.893 12.391 ( -1.615 11.811 5.929) 13.314 12.475 ( 3.600 2.684 6.767) 8.122 12.536 ( -1.357 -0.466 3.118) 3.433 13.127 ( 6.685 -6.959 -5.865) 11.292 13.229 ( -4.252 -6.259 -1.454) 7.706 13.633 ( 2.664 0.209 -5.597) 6.202 13.676 ( -1.476 0.122 -9.047) 9.168 14.719 ( 7.115 7.584 -5.950) 11.981 14.840 ( -4.113 2.607 -0.288) 4.878 15.034 ( 12.480 -3.878 -6.625) 14.652 15.269 ( -10.494 -7.077 -7.392) 14.658 15.478 ( 3.722 -6.544 -3.149) 8.160 15.569 ( -5.185 -3.054 -7.748) 9.811 15.730 ( 0.862 -3.756 -7.852) 8.747 15.751 ( -1.132 -3.965 -8.566) 9.506 16.778 ( 1.394 3.397 9.802) 10.468 16.808 ( -1.536 2.656 9.418) 9.905 17.008 ( 6.084 -2.279 8.384) 10.606 17.146 ( -7.536 1.563 -2.475) 8.084 18.062 ( 5.822 6.024 20.952) 22.565 18.233 ( -12.335 0.170 27.644) 30.271 19.417 ( 8.029 -14.564 -16.791) 23.633 19.564 ( -6.941 -16.622 -12.530) 21.942 21.733 ( 4.207 6.481 1.590) 7.889 21.814 ( -1.996 6.462 -1.205) 6.870 21.920 ( 0.412 7.226 1.216) 7.339 21.984 ( -4.157 8.162 -1.021) 9.216 23.820 ( 2.356 -3.597 1.277) 4.485 23.870 ( -2.490 -7.110 -0.395) 7.544 24.257 ( 5.182 -16.060 0.525) 16.883 24.307 ( 0.115 -18.454 -1.094) 18.487 ======================= Grid point 100 (40/72) ======================= q-point: ( 0.00 0.36 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.86e-04 2.86e-04 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.670 ( 0.000 8.429 -2.507) 8.794 2.722 ( 0.000 6.394 -4.527) 7.834 2.781 ( 0.000 9.303 -2.475) 9.626 2.838 ( 0.000 16.789 -5.100) 17.546 3.033 ( 0.000 8.807 1.895) 9.009 3.084 ( 0.000 0.459 7.599) 7.613 3.187 ( 0.000 8.818 -2.348) 9.125 3.227 ( 0.000 0.144 7.947) 7.948 3.283 ( 0.000 3.669 1.364) 3.914 3.450 ( 0.000 -1.366 -5.358) 5.529 3.509 ( 0.000 7.325 3.493) 8.115 3.514 ( 0.000 5.315 -0.781) 5.372 3.684 ( 0.000 3.074 -0.699) 3.152 3.687 ( 0.000 3.615 -0.021) 3.615 3.886 ( 0.000 1.063 9.709) 9.767 4.134 ( 0.000 -1.547 3.251) 3.600 4.315 ( 0.000 5.659 1.707) 5.911 4.397 ( 0.000 9.934 -1.133) 9.998 4.433 ( 0.000 17.257 6.278) 18.363 4.758 ( 0.000 8.198 2.811) 8.666 4.925 ( 0.000 2.662 -1.780) 3.202 4.927 ( 0.000 6.419 -4.029) 7.578 5.176 ( 0.000 4.268 -3.133) 5.294 5.233 ( 0.000 7.461 -7.781) 10.780 5.695 ( 0.000 4.560 2.376) 5.142 5.858 ( 0.000 1.639 -0.811) 1.829 5.873 ( 0.000 3.371 -1.082) 3.540 5.965 ( 0.000 2.714 -7.040) 7.544 6.895 ( 0.000 5.369 1.874) 5.686 7.058 ( 0.000 7.543 -3.171) 8.182 7.160 ( 0.000 6.610 -0.650) 6.642 7.172 ( 0.000 4.153 -0.421) 4.174 7.254 ( 0.000 2.931 8.686) 9.167 7.608 ( 0.000 10.047 2.266) 10.299 7.687 ( 0.000 8.556 11.047) 13.972 7.693 ( 0.000 5.365 -4.333) 6.897 7.977 ( 0.000 2.659 -4.768) 5.459 8.184 ( 0.000 4.563 9.725) 10.742 8.348 ( 0.000 16.106 -8.566) 18.242 8.622 ( 0.000 9.676 0.520) 9.690 8.717 ( 0.000 12.782 -4.060) 13.412 8.869 ( 0.000 12.188 -3.780) 12.760 9.114 ( 0.000 3.274 6.449) 7.233 9.204 ( 0.000 11.339 0.982) 11.382 9.530 ( 0.000 -13.218 -6.557) 14.755 9.555 ( 0.000 9.566 2.324) 9.844 9.784 ( 0.000 -3.153 1.993) 3.730 9.795 ( 0.000 -1.684 -1.377) 2.175 9.863 ( 0.000 -25.758 -4.347) 26.122 9.870 ( 0.000 -6.988 -6.838) 9.777 10.079 ( 0.000 -4.575 -3.227) 5.599 10.096 ( 0.000 -11.113 -7.216) 13.250 10.423 ( 0.000 13.125 -0.324) 13.129 10.460 ( 0.000 5.698 2.084) 6.067 10.642 ( 0.000 2.482 13.595) 13.820 10.669 ( 0.000 10.013 0.622) 10.032 10.794 ( 0.000 13.611 4.586) 14.363 10.887 ( 0.000 8.649 2.872) 9.113 10.927 ( 0.000 -0.111 -7.066) 7.067 11.492 ( 0.000 -2.830 13.736) 14.024 11.540 ( 0.000 -5.069 -9.316) 10.606 11.681 ( 0.000 26.700 -5.198) 27.201 11.897 ( 0.000 13.157 -3.976) 13.745 12.177 ( 0.000 -15.302 -12.764) 19.926 12.264 ( 0.000 5.689 6.062) 8.314 12.451 ( 0.000 4.060 0.541) 4.096 12.642 ( 0.000 9.872 15.731) 18.572 12.734 ( 0.000 -4.489 0.746) 4.551 12.901 ( 0.000 14.539 6.047) 15.746 13.350 ( 0.000 -2.432 4.253) 4.899 13.357 ( 0.000 -8.711 10.137) 13.366 13.618 ( 0.000 -4.981 -2.613) 5.624 14.589 ( 0.000 -2.937 -1.079) 3.129 14.780 ( 0.000 2.918 2.093) 3.591 14.895 ( 0.000 -1.402 1.836) 2.310 15.244 ( 0.000 -1.733 -19.090) 19.169 15.278 ( 0.000 -11.682 -2.028) 11.857 15.643 ( 0.000 -0.942 -18.773) 18.797 15.690 ( 0.000 0.019 -20.501) 20.501 15.709 ( 0.000 -1.350 -19.080) 19.127 16.847 ( 0.000 0.742 25.947) 25.958 16.862 ( 0.000 6.433 15.808) 17.067 16.944 ( 0.000 6.191 12.861) 14.274 17.387 ( 0.000 -0.667 -3.987) 4.042 18.183 ( 0.000 12.231 5.900) 13.579 18.530 ( 0.000 -4.676 23.352) 23.815 18.967 ( 0.000 -8.345 -19.971) 21.644 19.351 ( 0.000 -17.868 -5.850) 18.802 21.663 ( 0.000 -0.755 0.727) 1.048 21.742 ( 0.000 -1.809 -2.430) 3.030 22.100 ( 0.000 -1.334 2.128) 2.512 22.180 ( 0.000 -0.169 -1.017) 1.031 23.790 ( 0.000 -6.679 0.877) 6.737 23.818 ( 0.000 -1.085 -0.160) 1.096 23.891 ( 0.000 -3.741 0.410) 3.764 23.920 ( 0.000 -12.224 -0.570) 12.237 ======================= Grid point 101 (41/72) ======================= q-point: ( 0.20 0.36 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.86e-04 2.86e-04 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.625 ( -2.710 6.409 -0.407) 6.970 2.751 ( -3.185 14.330 -0.147) 14.680 2.764 ( 2.296 11.262 -2.161) 11.695 2.834 ( 0.380 9.893 -6.201) 11.683 2.957 ( -3.513 7.022 1.114) 7.931 3.079 ( -3.192 7.684 -0.368) 8.329 3.142 ( -1.225 6.189 3.172) 7.062 3.254 ( 0.136 5.559 0.814) 5.620 3.366 ( 5.224 -0.182 2.332) 5.724 3.457 ( 0.970 -2.325 -4.025) 4.748 3.474 ( -1.672 6.593 2.694) 7.316 3.541 ( 1.280 6.053 0.363) 6.197 3.697 ( 2.818 5.587 0.107) 6.258 3.730 ( 3.130 0.340 -0.596) 3.204 3.958 ( 6.475 -1.943 9.246) 11.453 4.117 ( -2.116 -1.236 3.163) 4.001 4.247 ( -4.144 8.345 2.247) 9.584 4.361 ( -3.796 8.917 2.424) 9.990 4.415 ( -1.183 12.292 6.353) 13.887 4.762 ( -7.778 6.302 6.422) 11.893 4.880 ( 7.335 7.091 -7.686) 12.774 5.040 ( 5.793 7.115 -2.855) 9.609 5.199 ( 1.094 6.612 -3.668) 7.640 5.249 ( 1.700 6.982 -8.099) 10.828 5.686 ( -0.648 3.608 2.552) 4.467 5.822 ( -3.396 2.441 -0.840) 4.266 5.874 ( -0.077 0.891 -2.205) 2.379 5.936 ( -2.502 1.661 -5.954) 6.669 6.954 ( 4.938 5.503 2.075) 7.679 7.093 ( 3.458 6.934 -2.304) 8.084 7.147 ( 1.442 6.841 2.563) 7.446 7.217 ( 0.565 5.333 5.611) 7.762 7.311 ( 6.874 3.540 -1.528) 7.882 7.604 ( 0.151 7.852 6.135) 9.966 7.627 ( -4.227 6.204 -6.518) 9.942 7.760 ( 4.911 7.023 8.158) 11.831 7.941 ( -3.991 3.997 -0.045) 5.649 8.110 ( -5.677 6.213 8.272) 11.800 8.409 ( 3.979 15.287 -13.340) 20.676 8.657 ( -1.350 15.020 -1.766) 15.184 8.739 ( 7.208 8.462 -1.279) 11.189 8.909 ( 3.196 10.527 -0.349) 11.007 9.083 ( -2.888 2.272 7.043) 7.944 9.229 ( 1.234 11.686 0.744) 11.775 9.546 ( 2.568 -7.221 -4.934) 9.115 9.578 ( 2.037 2.952 -2.499) 4.371 9.733 ( -4.658 1.830 -1.536) 5.235 9.777 ( -0.388 -6.370 -2.290) 6.780 9.892 ( 4.097 -15.560 -0.198) 16.092 9.918 ( 3.078 -9.263 -3.949) 10.529 10.001 ( -6.309 -4.900 -3.228) 8.617 10.141 ( 2.297 -9.482 -6.277) 11.601 10.331 ( -5.343 6.365 1.775) 8.498 10.394 ( -6.995 0.373 -2.041) 7.297 10.611 ( -6.143 -1.471 5.176) 8.166 10.713 ( 5.065 8.769 7.978) 12.892 10.820 ( -2.512 8.720 4.479) 10.119 10.860 ( -1.137 6.101 -4.741) 7.810 10.952 ( 5.945 15.191 2.414) 16.490 11.405 ( -7.406 6.087 6.160) 11.395 11.587 ( 4.541 -2.880 -4.543) 7.040 11.650 ( -2.617 16.425 -2.261) 16.785 11.822 ( -7.712 10.965 -7.070) 15.156 12.074 ( -5.729 -5.014 -6.651) 10.109 12.390 ( 6.603 0.801 3.624) 7.574 12.468 ( 2.159 2.826 1.049) 3.708 12.599 ( -3.006 8.527 13.719) 16.430 12.684 ( -4.103 2.797 3.209) 5.912 12.961 ( 4.753 6.496 5.759) 9.897 13.242 ( -5.198 -3.317 7.687) 9.854 13.481 ( 6.409 -5.834 4.153) 9.611 13.628 ( 0.773 -4.931 -2.798) 5.722 14.675 ( 7.905 -3.058 -1.506) 8.609 14.800 ( 2.086 0.747 3.866) 4.456 14.892 ( -0.409 -1.751 2.860) 3.379 15.220 ( -4.082 -9.810 -5.179) 11.821 15.298 ( 3.667 -1.992 -17.431) 17.923 15.632 ( -2.471 0.126 -20.414) 20.563 15.666 ( -0.603 -0.826 -19.238) 19.265 15.713 ( -0.260 -1.127 -19.724) 19.758 16.857 ( 0.915 3.704 18.660) 19.046 16.885 ( 2.256 3.758 20.678) 21.137 16.940 ( -0.091 5.573 13.731) 14.819 17.318 ( -6.774 -1.072 0.633) 6.888 18.193 ( 1.135 11.913 6.690) 13.710 18.440 ( -7.254 0.598 19.351) 20.675 19.032 ( 5.381 -10.747 -17.340) 21.098 19.324 ( -2.784 -17.333 -7.627) 19.140 21.694 ( 3.194 -0.563 1.018) 3.400 21.784 ( 3.976 -1.720 -2.581) 5.043 22.053 ( -4.397 -1.118 2.474) 5.168 22.142 ( -3.776 -0.531 -1.083) 3.964 23.775 ( -0.914 -5.803 0.625) 5.908 23.789 ( -1.606 -0.753 0.109) 1.777 23.947 ( 3.969 -6.359 0.142) 7.497 23.961 ( 3.260 -12.239 -0.331) 12.670 ======================= Grid point 102 (42/72) ======================= q-point: ( 0.40 0.36 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.86e-04 2.86e-04 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.602 ( 0.873 10.003 2.563) 10.363 2.660 ( -4.649 14.376 2.830) 15.372 2.813 ( 2.445 13.540 -0.880) 13.787 2.850 ( -0.430 7.904 -5.074) 9.402 2.926 ( 1.367 7.729 -2.023) 8.106 2.998 ( -4.660 5.157 -3.655) 7.853 3.152 ( 2.515 9.135 -0.001) 9.475 3.220 ( -3.536 8.405 -1.693) 9.275 3.412 ( 1.118 1.255 0.414) 1.730 3.436 ( -1.452 4.332 1.659) 4.860 3.517 ( 2.897 0.129 -0.320) 2.917 3.550 ( -0.590 4.390 -0.174) 4.433 3.785 ( 5.104 3.596 1.634) 6.454 3.805 ( 3.608 0.246 1.532) 3.928 4.008 ( -1.957 -3.063 1.935) 4.117 4.042 ( -5.195 -0.568 0.809) 5.289 4.293 ( 9.684 7.333 7.066) 14.053 4.335 ( 2.151 6.953 6.859) 10.001 4.372 ( -2.806 8.684 7.602) 11.877 4.549 ( -12.978 3.316 6.113) 14.724 5.054 ( 8.406 11.719 -5.600) 15.471 5.145 ( 2.714 9.029 -5.161) 10.749 5.191 ( 0.142 9.370 -4.938) 10.592 5.261 ( -2.113 7.803 -8.307) 11.592 5.688 ( 1.454 1.312 2.346) 3.056 5.746 ( -3.985 0.998 0.120) 4.110 5.872 ( 0.153 -0.513 -3.355) 3.397 5.890 ( -1.819 -0.132 -4.277) 4.649 7.032 ( 3.297 6.694 4.285) 8.605 7.102 ( -3.941 6.831 5.580) 9.661 7.225 ( 9.117 4.496 -3.728) 10.828 7.335 ( 7.115 3.799 1.627) 8.228 7.380 ( -1.106 7.269 -2.450) 7.750 7.494 ( -6.064 5.975 -3.642) 9.260 7.699 ( 6.284 6.131 5.612) 10.420 7.825 ( -4.946 2.660 7.420) 9.306 7.860 ( 3.603 8.414 3.177) 9.689 7.983 ( -7.212 8.344 6.408) 12.755 8.488 ( 4.615 14.617 -13.862) 20.667 8.586 ( -4.931 14.658 -9.714) 18.263 8.910 ( 6.409 5.686 4.305) 9.588 8.995 ( 0.548 10.070 3.413) 10.647 9.026 ( 4.251 3.975 5.523) 8.023 9.192 ( -6.111 9.796 0.232) 11.548 9.604 ( 0.687 -0.468 -5.126) 5.193 9.641 ( -3.689 3.687 -4.351) 6.792 9.655 ( 8.374 -0.701 -2.332) 8.721 9.832 ( -4.373 3.881 -1.321) 5.994 9.858 ( 2.010 -8.444 0.857) 8.722 9.955 ( -1.441 -7.798 -1.438) 8.059 9.996 ( 6.654 -10.389 0.306) 12.341 10.138 ( -4.702 -6.734 -3.333) 8.863 10.238 ( -1.300 -5.495 -3.447) 6.616 10.306 ( -3.471 -6.769 -7.443) 10.643 10.493 ( -0.210 -3.327 0.933) 3.462 10.637 ( -11.275 -0.457 -3.441) 11.798 10.827 ( 5.436 7.722 11.824) 15.132 10.890 ( -0.290 9.879 9.871) 13.968 11.102 ( 8.365 20.199 0.785) 21.877 11.255 ( -7.611 17.288 -0.407) 18.893 11.594 ( -0.407 10.330 4.358) 11.219 11.661 ( -6.994 9.131 -4.226) 12.253 11.735 ( 8.968 -2.516 -10.751) 14.224 11.926 ( -9.673 -1.736 -7.718) 12.496 12.490 ( 4.435 3.720 6.574) 8.759 12.528 ( 2.960 2.988 4.360) 6.059 12.556 ( -1.754 5.989 8.483) 10.532 12.598 ( -4.345 4.957 7.013) 9.625 13.057 ( 4.905 0.919 5.649) 7.538 13.148 ( -4.616 -1.466 6.518) 8.120 13.585 ( 4.034 -4.962 0.116) 6.396 13.631 ( -0.851 -4.802 -2.323) 5.402 14.810 ( 3.833 0.121 2.115) 4.379 14.852 ( -0.012 -1.900 4.797) 5.160 14.919 ( 7.504 -7.014 1.325) 10.357 15.095 ( -8.492 -9.820 -1.547) 13.074 15.406 ( 6.942 1.091 -22.559) 23.628 15.541 ( -6.318 1.200 -22.473) 23.374 15.676 ( 1.077 -1.116 -19.170) 19.232 15.698 ( -1.085 -1.142 -19.652) 19.715 16.879 ( 1.297 5.468 14.735) 15.770 16.902 ( -0.875 5.793 14.433) 15.577 16.995 ( 6.300 0.835 19.024) 20.057 17.153 ( -9.301 -0.804 11.187) 14.571 18.230 ( 2.857 10.665 9.190) 14.366 18.310 ( -5.540 7.317 13.686) 16.478 19.142 ( 5.742 -13.459 -14.687) 20.732 19.248 ( -4.937 -15.692 -11.362) 19.992 21.781 ( 5.462 -0.234 1.134) 5.584 21.858 ( 0.837 -0.767 -2.068) 2.359 21.971 ( -1.184 -1.400 2.283) 2.928 22.046 ( -5.718 -1.296 -0.889) 5.930 23.765 ( -0.117 -3.791 0.424) 3.817 23.769 ( -0.550 -1.813 0.284) 1.916 24.009 ( 1.971 -9.912 -0.027) 10.106 24.013 ( 1.538 -11.867 -0.150) 11.967 ======================= Grid point 105 (43/72) ======================= q-point: ( 0.00 0.43 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.86e-04 2.86e-04 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.724 ( 0.000 0.718 -0.217) 0.750 2.766 ( 0.000 -0.390 -3.679) 3.699 2.994 ( 0.000 9.367 -1.202) 9.443 3.096 ( 0.000 5.888 -4.345) 7.317 3.104 ( 0.000 1.655 4.285) 4.593 3.127 ( 0.000 3.289 5.946) 6.795 3.249 ( 0.000 1.756 -0.946) 1.994 3.270 ( 0.000 1.119 -2.572) 2.805 3.405 ( 0.000 7.940 1.609) 8.102 3.458 ( 0.000 3.553 -2.308) 4.236 3.603 ( 0.000 1.858 2.138) 2.832 3.603 ( 0.000 3.174 0.365) 3.195 3.699 ( 0.000 -2.616 2.620) 3.702 3.714 ( 0.000 0.116 0.632) 0.642 3.897 ( 0.000 1.359 7.474) 7.597 4.052 ( 0.000 -5.935 2.290) 6.362 4.430 ( 0.000 5.647 1.984) 5.986 4.511 ( 0.000 2.782 0.374) 2.807 4.714 ( 0.000 11.267 -0.461) 11.276 4.891 ( 0.000 4.882 -4.121) 6.388 4.985 ( 0.000 2.623 1.905) 3.241 4.987 ( 0.000 0.301 0.949) 0.996 5.260 ( 0.000 4.065 -2.572) 4.811 5.318 ( 0.000 1.837 -3.420) 3.882 5.830 ( 0.000 7.842 -1.665) 8.017 5.895 ( 0.000 2.149 -0.427) 2.191 5.926 ( 0.000 1.576 -0.783) 1.760 5.999 ( 0.000 0.113 -5.955) 5.956 7.050 ( 0.000 9.501 3.073) 9.985 7.200 ( 0.000 4.468 -1.767) 4.805 7.244 ( 0.000 4.633 0.364) 4.647 7.280 ( 0.000 5.303 -0.910) 5.381 7.357 ( 0.000 7.774 7.677) 10.925 7.707 ( 0.000 -3.204 -4.242) 5.316 7.772 ( 0.000 5.958 1.539) 6.154 7.862 ( 0.000 8.300 12.777) 15.237 8.003 ( 0.000 1.928 -5.035) 5.392 8.288 ( 0.000 6.526 6.300) 9.071 8.516 ( 0.000 -4.273 -7.206) 8.377 8.631 ( 0.000 -8.438 2.574) 8.821 8.934 ( 0.000 9.741 -5.710) 11.292 9.058 ( 0.000 5.849 1.177) 5.966 9.183 ( 0.000 -1.027 1.670) 1.961 9.302 ( 0.000 5.487 6.268) 8.330 9.334 ( 0.000 3.678 -6.346) 7.335 9.481 ( 0.000 -9.438 -6.302) 11.349 9.584 ( 0.000 -10.985 -6.502) 12.764 9.690 ( 0.000 -5.304 -3.639) 6.432 9.806 ( 0.000 1.837 -0.265) 1.856 9.810 ( 0.000 0.276 -3.253) 3.265 9.945 ( 0.000 -2.939 -9.768) 10.201 10.023 ( 0.000 -3.775 -10.095) 10.778 10.539 ( 0.000 2.439 5.057) 5.614 10.559 ( 0.000 1.393 5.729) 5.896 10.763 ( 0.000 5.416 1.401) 5.594 10.766 ( 0.000 10.604 12.018) 16.028 10.928 ( 0.000 4.608 1.069) 4.731 11.005 ( 0.000 3.110 8.380) 8.939 11.175 ( 0.000 9.016 6.571) 11.157 11.378 ( 0.000 -10.064 -8.271) 13.027 11.519 ( 0.000 6.110 -1.062) 6.202 11.842 ( 0.000 -16.271 -14.445) 21.758 12.167 ( 0.000 20.443 -5.480) 21.164 12.174 ( 0.000 13.661 4.438) 14.364 12.387 ( 0.000 5.582 -0.457) 5.600 12.461 ( 0.000 -2.414 3.619) 4.351 12.719 ( 0.000 2.082 7.479) 7.764 12.763 ( 0.000 2.521 7.162) 7.593 13.126 ( 0.000 9.014 9.252) 12.917 13.214 ( 0.000 -5.183 9.590) 10.901 13.286 ( 0.000 -3.958 4.692) 6.138 13.487 ( 0.000 -8.181 3.517) 8.905 14.544 ( 0.000 -0.954 3.980) 4.092 14.686 ( 0.000 -7.748 8.957) 11.843 14.877 ( 0.000 -0.401 7.088) 7.099 15.065 ( 0.000 -9.630 2.021) 9.839 15.378 ( 0.000 11.102 -32.789) 34.617 15.633 ( 0.000 -1.311 -26.488) 26.521 15.716 ( 0.000 1.545 -23.743) 23.793 15.718 ( 0.000 2.048 -25.758) 25.840 16.894 ( 0.000 3.470 25.963) 26.194 16.955 ( 0.000 2.466 19.158) 19.316 17.064 ( 0.000 6.133 14.860) 16.076 17.309 ( 0.000 -6.102 9.799) 11.544 18.421 ( 0.000 11.884 0.329) 11.888 18.563 ( 0.000 6.864 6.793) 9.657 18.806 ( 0.000 -8.358 -13.322) 15.727 19.025 ( 0.000 -15.551 -5.614) 16.533 21.651 ( 0.000 -0.234 0.655) 0.695 21.698 ( 0.000 -2.340 -1.088) 2.580 22.043 ( 0.000 -2.995 1.454) 3.329 22.112 ( 0.000 -5.355 -1.068) 5.460 23.683 ( 0.000 -3.565 0.807) 3.655 23.724 ( 0.000 -5.895 -0.690) 5.935 23.822 ( 0.000 -0.676 0.731) 0.996 23.847 ( 0.000 -1.664 -0.216) 1.678 ======================= Grid point 106 (44/72) ======================= q-point: ( 0.20 0.43 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.86e-04 2.86e-04 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.714 ( 1.045 3.992 0.716) 4.188 2.837 ( 4.972 -0.302 -5.041) 7.087 2.995 ( -2.147 9.474 -0.256) 9.718 3.024 ( -2.139 6.066 1.843) 6.691 3.113 ( 1.079 8.103 -4.037) 9.117 3.136 ( -4.055 -0.843 0.843) 4.227 3.226 ( 2.826 3.073 3.091) 5.194 3.361 ( 5.125 -1.062 0.191) 5.237 3.380 ( -1.275 6.973 0.968) 7.154 3.430 ( -2.628 2.042 -3.185) 4.607 3.562 ( -3.295 1.380 2.062) 4.125 3.610 ( -1.146 -0.121 0.902) 1.463 3.722 ( 3.790 -0.159 2.428) 4.504 3.761 ( 3.685 0.865 -0.028) 3.786 3.919 ( 1.676 -0.603 6.578) 6.815 4.040 ( -1.443 -5.551 1.931) 6.051 4.396 ( -1.998 6.465 2.506) 7.216 4.472 ( -3.070 3.057 1.351) 4.539 4.621 ( -6.061 8.664 4.523) 11.501 4.802 ( -9.830 -0.526 1.348) 9.935 5.045 ( 10.652 7.790 -2.815) 13.494 5.147 ( 8.203 3.105 -2.613) 9.152 5.306 ( 3.705 4.411 -3.164) 6.572 5.341 ( 2.150 2.743 -4.959) 6.061 5.802 ( -2.590 6.970 -0.773) 7.475 5.871 ( -3.141 2.044 -0.134) 3.750 5.889 ( -2.658 0.727 -1.245) 3.024 5.957 ( -3.745 -0.154 -5.422) 6.591 7.104 ( 4.509 8.560 1.631) 9.812 7.199 ( 1.309 3.462 -2.109) 4.260 7.287 ( 2.408 7.309 3.192) 8.331 7.323 ( -0.202 5.644 5.024) 7.559 7.392 ( 8.125 4.588 2.073) 9.559 7.651 ( -4.436 -2.297 -5.991) 7.800 7.787 ( 2.611 7.654 2.190) 8.378 7.892 ( 1.635 8.175 11.519) 14.220 7.993 ( -1.895 1.684 -2.196) 3.354 8.235 ( -4.615 7.416 8.069) 11.891 8.533 ( 1.428 -7.433 -8.531) 11.405 8.688 ( 2.946 -11.934 -2.184) 12.484 8.933 ( 1.369 12.634 -1.762) 12.830 9.078 ( 1.916 6.612 1.374) 7.020 9.165 ( -1.972 4.464 2.313) 5.401 9.325 ( 2.802 -1.031 -1.289) 3.252 9.355 ( 0.855 2.494 -1.392) 2.981 9.503 ( 2.068 -7.905 -7.194) 10.887 9.582 ( 0.608 -8.225 -8.223) 11.646 9.693 ( 0.729 -5.821 -3.237) 6.700 9.809 ( 2.332 0.948 -2.207) 3.347 9.869 ( 2.751 1.167 -4.627) 5.508 9.956 ( 2.002 -2.543 -5.117) 6.055 10.028 ( 1.141 -2.759 -7.471) 8.046 10.416 ( -10.181 2.597 4.300) 11.353 10.488 ( -6.318 3.080 6.025) 9.258 10.583 ( -11.779 4.596 4.751) 13.507 10.808 ( -7.767 -1.473 -1.012) 7.970 10.905 ( 2.498 9.832 3.968) 10.893 11.016 ( 1.602 5.761 13.760) 15.003 11.245 ( 5.430 4.617 4.018) 8.182 11.428 ( 3.007 -6.462 -1.599) 7.304 11.554 ( 5.347 7.346 -5.293) 10.516 11.792 ( -4.065 -11.130 -14.573) 18.782 12.011 ( -9.294 15.010 1.979) 17.765 12.169 ( -6.340 12.230 -5.126) 14.699 12.433 ( 5.264 2.798 5.811) 8.325 12.523 ( 4.699 3.183 1.872) 5.976 12.694 ( -2.198 3.029 7.584) 8.457 12.741 ( -2.279 2.642 6.639) 7.500 13.122 ( 0.049 8.265 9.592) 12.662 13.193 ( -1.231 -1.165 9.101) 9.257 13.358 ( 5.373 -6.605 4.268) 9.524 13.494 ( 0.503 -8.631 2.942) 9.132 14.611 ( 6.368 -2.294 3.547) 7.641 14.707 ( 2.095 -6.845 8.626) 11.210 14.860 ( -1.673 -0.946 7.174) 7.427 15.026 ( -3.902 -9.035 1.747) 9.995 15.416 ( 3.739 9.917 -31.807) 33.526 15.639 ( 0.459 -0.637 -26.103) 26.115 15.689 ( -2.191 2.494 -25.763) 25.976 15.715 ( -0.683 0.945 -24.821) 24.849 16.914 ( 2.102 3.278 24.689) 24.994 16.964 ( 1.042 2.469 19.008) 19.196 17.051 ( -1.194 5.527 15.232) 16.248 17.252 ( -5.488 -4.813 12.304) 14.307 18.429 ( 0.801 11.925 0.596) 11.967 18.537 ( -2.256 8.480 5.143) 10.171 18.836 ( 2.776 -9.611 -12.071) 15.678 19.008 ( -1.699 -15.077 -6.465) 16.493 21.682 ( 3.160 -0.267 0.796) 3.270 21.736 ( 3.793 -2.653 -1.267) 4.799 22.001 ( -4.036 -2.766 1.584) 5.142 22.072 ( -3.948 -5.277 -1.038) 6.672 23.692 ( 1.008 -2.550 0.909) 2.889 23.746 ( 1.407 -4.338 -1.280) 4.737 23.815 ( -0.023 -2.241 1.402) 2.644 23.858 ( 0.657 -3.284 -0.401) 3.373 ======================= Grid point 107 (45/72) ======================= q-point: ( 0.40 0.43 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.86e-04 2.86e-04 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.776 ( 5.103 7.916 0.881) 9.459 2.890 ( -5.957 8.752 0.712) 10.611 2.935 ( 4.687 1.080 -5.721) 7.474 3.025 ( -3.356 4.315 -2.907) 6.191 3.067 ( 1.114 7.068 0.360) 7.165 3.114 ( -1.905 10.349 0.056) 10.523 3.280 ( 3.068 3.303 0.790) 4.577 3.349 ( -3.464 5.213 -1.494) 6.435 3.406 ( 2.555 -0.975 0.120) 2.738 3.462 ( 2.444 -3.221 0.858) 4.133 3.491 ( -1.567 -0.922 2.457) 3.057 3.561 ( -3.682 -3.023 1.353) 4.952 3.815 ( 4.770 1.106 1.127) 5.025 3.844 ( 3.725 1.680 0.083) 4.087 3.927 ( -0.572 -3.313 2.075) 3.951 3.983 ( -4.443 -4.204 0.192) 6.120 4.423 ( 5.640 5.350 5.696) 9.637 4.445 ( 1.073 4.162 5.066) 6.644 4.513 ( -4.838 5.694 6.804) 10.105 4.598 ( -10.674 1.478 5.546) 12.119 5.246 ( 8.758 7.475 -6.271) 13.111 5.290 ( 5.882 5.423 -4.761) 9.310 5.347 ( -0.246 6.043 -4.876) 7.769 5.375 ( -0.272 3.903 -7.372) 8.345 5.753 ( -1.371 4.693 1.264) 5.050 5.784 ( -4.177 2.508 0.525) 4.900 5.858 ( -0.423 -1.077 -1.834) 2.168 5.884 ( -3.057 -0.915 -3.426) 4.682 7.175 ( 2.812 6.999 1.539) 7.698 7.232 ( -2.797 6.446 2.485) 7.453 7.281 ( 5.129 1.252 -0.802) 5.340 7.371 ( -1.796 0.599 1.992) 2.748 7.537 ( 7.184 7.912 2.923) 11.079 7.624 ( 0.183 6.942 -2.976) 7.555 7.838 ( 2.454 4.240 2.179) 5.361 7.903 ( -2.791 3.891 3.960) 6.214 7.967 ( 3.806 6.838 6.729) 10.321 8.109 ( -8.276 7.042 8.233) 13.633 8.581 ( 3.733 -9.591 -8.284) 13.212 8.666 ( -4.206 -11.808 -8.097) 14.923 9.006 ( 4.599 10.031 2.730) 11.367 9.082 ( -2.951 7.931 3.728) 9.247 9.176 ( 4.663 5.061 -0.675) 6.915 9.279 ( -4.985 1.151 -2.147) 5.548 9.454 ( 5.640 -2.848 -4.190) 7.581 9.520 ( -1.084 -5.738 -7.645) 9.620 9.625 ( 4.350 -7.122 -10.115) 13.114 9.710 ( -1.870 -7.977 -8.608) 11.884 9.880 ( 6.030 2.765 1.127) 6.729 9.922 ( 2.445 1.688 -0.635) 3.038 10.006 ( 2.877 3.064 0.242) 4.210 10.084 ( 0.749 -2.596 -3.168) 4.164 10.229 ( -5.046 4.837 0.820) 7.038 10.332 ( -11.739 5.582 0.525) 13.010 10.413 ( 1.245 -3.392 3.952) 5.355 10.580 ( -13.009 -4.333 -2.278) 13.900 10.969 ( 3.293 8.028 8.310) 12.014 11.020 ( -1.532 6.494 11.857) 13.605 11.356 ( 5.717 -1.190 1.625) 6.062 11.439 ( -2.006 -2.770 2.454) 4.209 11.732 ( 10.500 6.094 -7.198) 14.114 11.745 ( 0.765 1.644 -12.429) 12.561 11.846 ( -6.160 11.756 0.768) 13.295 11.984 ( -11.660 7.607 -3.488) 14.352 12.545 ( 5.603 3.393 6.969) 9.564 12.611 ( 3.935 4.239 3.741) 6.888 12.638 ( -3.601 3.205 7.067) 8.554 12.683 ( -3.388 3.781 5.813) 7.718 13.137 ( 1.395 6.303 9.570) 11.544 13.167 ( -1.497 3.184 9.350) 9.990 13.451 ( 3.705 -8.533 2.739) 9.697 13.494 ( -0.853 -9.100 2.269) 9.417 14.747 ( 4.960 -4.148 6.055) 8.859 14.772 ( 6.167 -5.216 4.619) 9.304 14.816 ( -2.499 -2.760 7.400) 8.284 14.920 ( -6.898 -7.653 2.021) 10.500 15.509 ( 5.422 7.344 -30.003) 31.362 15.608 ( -4.295 4.524 -27.509) 28.207 15.671 ( 0.938 -0.298 -25.934) 25.953 15.695 ( -1.290 0.222 -25.111) 25.145 16.967 ( 2.709 3.572 19.359) 19.871 16.995 ( 1.191 3.071 18.488) 18.779 17.031 ( 0.721 2.600 18.091) 18.291 17.125 ( -6.811 -1.841 17.647) 19.005 18.452 ( 1.632 11.762 1.427) 11.960 18.491 ( -2.307 10.730 2.930) 11.360 18.899 ( 3.421 -11.765 -10.299) 16.006 18.962 ( -2.979 -13.709 -8.363) 16.333 21.767 ( 5.290 -0.455 0.801) 5.370 21.824 ( 3.489 -2.122 -1.636) 4.399 21.910 ( -3.519 -3.381 1.858) 5.222 21.972 ( -5.867 -5.064 -0.759) 7.787 23.720 ( 1.709 -0.846 0.635) 2.010 23.749 ( -1.027 -0.270 -0.408) 1.137 23.836 ( 1.737 -6.543 0.646) 6.801 23.860 ( -0.575 -5.730 -0.245) 5.764 ======================= Grid point 110 (46/72) ======================= q-point: ( 0.00 -0.50 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.86e-04 2.86e-04 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 48 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.742 ( 0.000 -1.400 -0.341) 1.441 2.742 ( 0.000 1.400 -0.341) 1.441 3.100 ( 0.000 -1.893 1.628) 2.497 3.100 ( 0.000 1.893 1.628) 2.497 3.153 ( 0.000 -2.528 0.239) 2.539 3.153 ( 0.000 2.528 0.239) 2.539 3.273 ( 0.000 -0.688 -4.549) 4.601 3.273 ( 0.000 0.688 -4.549) 4.601 3.554 ( 0.000 -5.926 2.787) 6.549 3.554 ( 0.000 5.926 2.787) 6.549 3.569 ( 0.000 -4.161 0.369) 4.177 3.569 ( 0.000 4.161 0.369) 4.177 3.693 ( 0.000 -1.922 2.306) 3.002 3.693 ( 0.000 1.922 2.306) 3.002 3.947 ( 0.000 -4.028 3.436) 5.295 3.947 ( 0.000 4.028 3.436) 5.295 4.512 ( 0.000 -2.383 1.602) 2.871 4.512 ( 0.000 2.383 1.602) 2.871 4.882 ( 0.000 -5.795 -6.253) 8.525 4.882 ( 0.000 5.795 -6.253) 8.525 5.001 ( 0.000 -1.054 4.529) 4.650 5.001 ( 0.000 1.054 4.529) 4.650 5.319 ( 0.000 -1.642 -2.244) 2.780 5.319 ( 0.000 1.642 -2.244) 2.780 5.929 ( 0.000 -0.829 -0.609) 1.029 5.929 ( 0.000 0.829 -0.609) 1.029 5.957 ( 0.000 -4.366 -3.782) 5.776 5.957 ( 0.000 4.366 -3.782) 5.776 7.193 ( 0.000 -4.094 1.340) 4.308 7.193 ( 0.000 4.094 1.340) 4.308 7.328 ( 0.000 -1.359 -0.687) 1.523 7.328 ( 0.000 1.359 -0.687) 1.523 7.553 ( 0.000 -11.145 2.434) 11.408 7.553 ( 0.000 11.145 2.434) 11.408 7.871 ( 0.000 -4.175 0.659) 4.227 7.871 ( 0.000 4.175 0.659) 4.227 8.225 ( 0.000 -17.932 3.162) 18.209 8.225 ( 0.000 17.933 3.162) 18.209 8.442 ( 0.000 -9.508 2.817) 9.916 8.442 ( 0.000 9.508 2.816) 9.916 9.068 ( 0.000 -4.126 2.547) 4.849 9.068 ( 0.000 4.127 2.547) 4.849 9.319 ( 0.000 -11.517 -7.699) 13.853 9.319 ( 0.000 11.517 -7.699) 13.853 9.397 ( 0.000 -0.212 -6.484) 6.487 9.397 ( 0.000 0.212 -6.484) 6.487 9.523 ( 0.000 -11.087 -3.038) 11.496 9.523 ( 0.000 11.087 -3.038) 11.496 9.814 ( 0.000 -0.835 1.406) 1.635 9.814 ( 0.000 0.835 1.406) 1.635 9.956 ( 0.000 -2.224 -12.896) 13.086 9.956 ( 0.000 2.224 -12.896) 13.086 10.563 ( 0.000 -0.331 8.826) 8.832 10.563 ( 0.000 0.331 8.826) 8.832 10.861 ( 0.000 -3.280 2.015) 3.850 10.861 ( 0.000 3.280 2.015) 3.850 11.075 ( 0.000 -11.636 0.324) 11.640 11.075 ( 0.000 11.636 0.324) 11.640 11.175 ( 0.000 -13.601 10.114) 16.949 11.175 ( 0.000 13.601 10.114) 16.949 11.644 ( 0.000 -5.797 -10.382) 11.891 11.644 ( 0.000 5.797 -10.382) 11.891 12.377 ( 0.000 -5.960 4.443) 7.433 12.377 ( 0.000 5.960 4.443) 7.434 12.415 ( 0.000 -3.667 -2.666) 4.534 12.415 ( 0.000 3.667 -2.666) 4.534 12.762 ( 0.000 -1.833 6.760) 7.004 12.762 ( 0.000 1.833 6.760) 7.004 13.186 ( 0.000 -1.939 6.264) 6.557 13.186 ( 0.000 1.939 6.264) 6.557 13.319 ( 0.000 -8.358 7.757) 11.403 13.319 ( 0.000 8.358 7.757) 11.403 14.568 ( 0.000 -3.698 6.768) 7.712 14.568 ( 0.000 3.699 6.768) 7.712 14.920 ( 0.000 -5.045 4.997) 7.101 14.920 ( 0.000 5.046 4.997) 7.102 15.559 ( 0.000 -6.668 -30.758) 31.473 15.559 ( 0.000 6.668 -30.758) 31.473 15.740 ( 0.000 -0.222 -25.855) 25.856 15.740 ( 0.000 0.223 -25.855) 25.856 16.954 ( 0.000 -2.113 22.431) 22.530 16.954 ( 0.000 2.113 22.431) 22.530 17.184 ( 0.000 -6.398 15.165) 16.460 17.184 ( 0.000 6.398 15.165) 16.460 18.632 ( 0.000 -9.798 -5.954) 11.465 18.632 ( 0.000 9.798 -5.954) 11.465 18.755 ( 0.000 -12.192 -2.170) 12.384 18.755 ( 0.000 12.192 -2.170) 12.384 21.661 ( 0.000 -1.299 0.183) 1.312 21.661 ( 0.000 1.299 0.183) 1.312 22.029 ( 0.000 -2.122 -0.143) 2.127 22.029 ( 0.000 2.122 -0.143) 2.127 23.658 ( 0.000 -0.993 0.151) 1.005 23.658 ( 0.000 0.993 0.151) 1.005 23.823 ( 0.000 -0.724 0.177) 0.746 23.823 ( 0.000 0.724 0.177) 0.746 ======================= Grid point 112 (47/72) ======================= q-point: ( 0.20 -0.50 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.86e-04 2.86e-04 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.790 ( 4.659 -3.730 -1.079) 6.065 2.790 ( 4.659 3.730 -1.079) 6.065 3.088 ( -2.860 -2.391 1.942) 4.203 3.088 ( -2.860 2.391 1.942) 4.203 3.146 ( 1.872 -3.460 -1.703) 4.287 3.146 ( 1.872 3.460 -1.703) 4.287 3.305 ( 2.355 -4.115 -2.692) 5.452 3.305 ( 2.355 4.115 -2.692) 5.452 3.511 ( -3.625 -5.921 2.065) 7.243 3.511 ( -3.625 5.921 2.065) 7.243 3.534 ( -3.293 -6.223 1.175) 7.138 3.534 ( -3.293 6.223 1.175) 7.138 3.746 ( 4.474 -1.759 1.601) 5.067 3.746 ( 4.474 1.759 1.601) 5.067 3.947 ( -0.286 -3.338 3.019) 4.510 3.947 ( -0.286 3.338 3.019) 4.510 4.481 ( -2.095 -2.103 2.175) 3.680 4.481 ( -2.095 2.103 2.175) 3.680 4.752 ( -8.517 -4.733 2.261) 10.002 4.752 ( -8.517 4.733 2.261) 10.002 5.150 ( 10.078 -2.771 -2.929) 10.854 5.150 ( 10.078 2.771 -2.929) 10.854 5.359 ( 3.563 -0.933 -3.350) 4.979 5.359 ( 3.563 0.933 -3.350) 4.979 5.894 ( -3.413 -0.450 -0.049) 3.443 5.894 ( -3.413 0.450 -0.049) 3.443 5.917 ( -3.626 -4.094 -3.552) 6.522 5.917 ( -3.626 4.094 -3.552) 6.522 7.214 ( 1.987 -2.217 -0.994) 3.138 7.214 ( 1.987 2.217 -0.994) 3.138 7.385 ( 2.982 -1.291 4.190) 5.302 7.385 ( 2.982 1.291 4.190) 5.302 7.524 ( 0.786 -9.390 -0.277) 9.427 7.524 ( 0.786 9.390 -0.277) 9.427 7.902 ( 1.599 -4.722 0.832) 5.054 7.902 ( 1.599 4.722 0.832) 5.054 8.219 ( -0.144 -18.563 4.033) 18.997 8.219 ( -0.144 18.563 4.033) 18.997 8.424 ( -2.276 -12.414 2.967) 12.965 8.424 ( -2.276 12.415 2.967) 12.966 9.110 ( 3.898 -4.757 1.751) 6.394 9.110 ( 3.898 4.757 1.751) 6.394 9.308 ( -1.701 -8.217 -4.737) 9.636 9.308 ( -1.701 8.217 -4.737) 9.636 9.395 ( 1.392 -2.596 -8.902) 9.376 9.395 ( 1.392 2.596 -8.902) 9.376 9.548 ( 1.487 -7.728 -7.184) 10.655 9.548 ( 1.487 7.728 -7.184) 10.656 9.843 ( 3.233 -2.477 1.523) 4.348 9.843 ( 3.233 2.477 1.523) 4.348 9.972 ( 2.205 -3.003 -8.725) 9.487 9.972 ( 2.205 3.003 -8.725) 9.487 10.467 ( -8.431 -2.240 8.263) 12.016 10.467 ( -8.431 2.240 8.263) 12.016 10.732 ( -11.450 -6.572 0.540) 13.213 10.732 ( -11.450 6.572 0.540) 13.213 11.105 ( 2.660 -11.238 1.254) 11.616 11.105 ( 2.660 11.238 1.254) 11.616 11.224 ( 2.642 -14.640 8.747) 17.258 11.224 ( 2.642 14.641 8.747) 17.258 11.677 ( 4.074 -3.562 -8.957) 10.464 11.677 ( 4.074 3.562 -8.957) 10.464 12.218 ( -10.076 -6.079 0.639) 11.785 12.218 ( -10.076 6.079 0.639) 11.786 12.530 ( 5.777 -4.134 2.319) 7.473 12.530 ( 5.777 4.135 2.319) 7.473 12.747 ( -1.607 -1.957 6.708) 7.170 12.747 ( -1.607 1.957 6.708) 7.170 13.216 ( 2.686 -3.124 5.976) 7.259 13.216 ( 2.686 3.124 5.976) 7.259 13.317 ( -0.191 -7.873 7.335) 10.761 13.317 ( -0.191 7.873 7.335) 10.762 14.610 ( 4.054 -2.496 6.319) 7.912 14.610 ( 4.054 2.497 6.319) 7.912 14.892 ( -2.814 -4.458 4.889) 7.189 14.892 ( -2.814 4.458 4.889) 7.190 15.579 ( 1.894 -5.886 -30.134) 30.762 15.579 ( 1.894 5.886 -30.134) 30.762 15.724 ( -1.537 -0.588 -26.251) 26.302 15.724 ( -1.537 0.588 -26.251) 26.302 16.969 ( 1.507 -1.760 21.848) 21.971 16.969 ( 1.507 1.760 21.848) 21.971 17.154 ( -2.966 -5.143 15.970) 17.038 17.154 ( -2.966 5.143 15.970) 17.038 18.645 ( 1.236 -10.170 -5.630) 11.690 18.645 ( 1.236 10.170 -5.630) 11.690 18.743 ( -1.122 -12.084 -2.603) 12.412 18.743 ( -1.122 12.084 -2.603) 12.412 21.694 ( 3.298 -1.543 0.160) 3.644 21.694 ( 3.298 1.543 0.160) 3.644 21.990 ( -3.823 -2.147 -0.103) 4.385 21.990 ( -3.823 2.147 -0.103) 4.385 23.681 ( 2.236 -1.521 0.153) 2.708 23.681 ( 2.236 1.521 0.153) 2.708 23.813 ( -0.978 -1.287 0.174) 1.625 23.813 ( -0.978 1.287 0.174) 1.625 ======================= Grid point 114 (48/72) ======================= q-point: ( 0.40 -0.50 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.86e-04 2.86e-04 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.900 ( 5.995 -4.431 -2.237) 7.783 2.900 ( 5.995 4.431 -2.237) 7.783 3.007 ( -4.994 -3.586 -1.442) 6.315 3.007 ( -4.994 3.586 -1.442) 6.315 3.224 ( 5.584 -5.995 0.595) 8.215 3.224 ( 5.584 5.995 0.595) 8.215 3.322 ( -2.406 -7.493 -0.450) 7.883 3.322 ( -2.406 7.493 -0.450) 7.883 3.442 ( -1.452 -1.795 1.407) 2.704 3.442 ( -1.452 1.795 1.407) 2.704 3.470 ( -2.919 -4.499 1.285) 5.515 3.470 ( -2.919 4.499 1.285) 5.515 3.840 ( 4.837 -1.366 0.394) 5.041 3.840 ( 4.837 1.366 0.394) 5.041 3.919 ( -2.919 -2.003 1.156) 3.724 3.919 ( -2.919 2.003 1.156) 3.724 4.482 ( 2.985 -0.560 4.876) 5.745 4.482 ( 2.985 0.560 4.876) 5.745 4.592 ( -7.612 -2.281 5.868) 9.878 4.592 ( -7.612 2.281 5.868) 9.878 5.332 ( 7.822 -1.236 -5.989) 9.929 5.332 ( 7.822 1.236 -5.989) 9.929 5.411 ( 0.207 -0.474 -5.743) 5.766 5.411 ( 0.207 0.474 -5.743) 5.766 5.826 ( -2.146 -1.899 -0.055) 2.866 5.826 ( -2.146 1.899 -0.055) 2.866 5.843 ( -3.292 -3.207 -1.091) 4.723 5.843 ( -3.292 3.207 -1.091) 4.723 7.266 ( 3.390 -2.393 -0.947) 4.257 7.266 ( 3.390 2.393 -0.947) 4.257 7.344 ( -4.388 -3.761 1.690) 6.021 7.344 ( -4.388 3.761 1.690) 6.021 7.679 ( 11.354 -4.726 2.521) 12.554 7.679 ( 11.354 4.726 2.521) 12.554 7.865 ( -6.346 -4.069 1.945) 7.786 7.865 ( -6.346 4.069 1.945) 7.786 8.250 ( 3.802 -17.978 3.750) 18.754 8.250 ( 3.802 17.978 3.750) 18.755 8.347 ( -5.286 -15.656 2.680) 16.741 8.347 ( -5.286 15.656 2.680) 16.741 9.189 ( 3.745 -5.403 0.177) 6.576 9.189 ( 3.745 5.403 0.177) 6.576 9.256 ( -3.255 -5.777 -1.447) 6.787 9.256 ( -3.255 5.777 -1.447) 6.787 9.465 ( 4.862 -4.652 -12.213) 13.944 9.465 ( 4.862 4.652 -12.213) 13.944 9.543 ( -2.447 -6.690 -11.412) 13.452 9.543 ( -2.447 6.690 -11.412) 13.452 9.946 ( 7.001 -1.692 1.238) 7.308 9.946 ( 7.001 1.692 1.238) 7.308 10.031 ( 1.233 -1.287 0.368) 1.820 10.031 ( 1.233 1.288 0.368) 1.820 10.328 ( -1.968 -3.966 3.946) 5.930 10.328 ( -1.968 3.966 3.946) 5.931 10.475 ( -13.506 -6.442 -0.130) 14.964 10.475 ( -13.506 6.442 -0.130) 14.964 11.167 ( 3.513 -12.251 2.258) 12.943 11.167 ( 3.513 12.251 2.258) 12.943 11.227 ( -2.112 -13.952 4.951) 14.955 11.227 ( -2.112 13.953 4.951) 14.955 11.812 ( 9.370 -1.534 -4.277) 10.413 11.812 ( 9.370 1.535 -4.277) 10.413 12.013 ( -10.846 -4.909 -0.826) 11.934 12.013 ( -10.846 4.909 -0.826) 11.934 12.627 ( 4.404 -3.101 4.836) 7.238 12.627 ( 4.404 3.101 4.836) 7.239 12.701 ( -3.124 -2.267 6.279) 7.371 12.701 ( -3.124 2.267 6.279) 7.371 13.271 ( 2.546 -4.914 5.844) 8.049 13.271 ( 2.546 4.913 5.844) 8.049 13.306 ( -1.117 -6.538 6.431) 9.239 13.306 ( -1.117 6.538 6.431) 9.239 14.709 ( 5.721 -0.696 5.467) 7.944 14.709 ( 5.721 0.697 5.467) 7.944 14.815 ( -4.966 -2.822 4.926) 7.542 14.815 ( -4.966 2.822 4.926) 7.542 15.627 ( 2.886 -3.988 -28.755) 29.174 15.627 ( 2.886 3.989 -28.755) 29.174 15.683 ( -2.679 -1.936 -27.318) 27.517 15.683 ( -2.679 1.937 -27.318) 27.517 17.013 ( 3.059 -0.927 20.213) 20.464 17.013 ( 3.059 0.927 20.213) 20.464 17.083 ( -3.947 -2.482 17.967) 18.562 17.083 ( -3.947 2.483 17.967) 18.563 18.676 ( 1.905 -10.961 -4.771) 12.105 18.676 ( 1.905 10.961 -4.771) 12.106 18.714 ( -1.844 -11.681 -3.635) 12.371 18.714 ( -1.844 11.681 -3.635) 12.371 21.781 ( 5.482 -1.928 0.092) 5.812 21.781 ( 5.482 1.928 0.092) 5.812 21.894 ( -5.791 -2.130 -0.008) 6.170 21.894 ( -5.791 2.131 -0.008) 6.170 23.734 ( 2.884 -2.038 0.159) 3.535 23.734 ( 2.884 2.038 0.159) 3.535 23.783 ( -2.123 -1.933 0.167) 2.876 23.783 ( -2.123 1.933 0.167) 2.876 ======================= Grid point 150 (49/72) ======================= q-point: ( 0.00 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.86e-04 2.86e-04 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 48 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.263 ( 0.000 0.000 -27.897) 27.897 1.263 ( 0.000 0.000 27.897) 27.897 1.528 ( 0.000 0.000 -29.323) 29.323 1.528 ( 0.000 0.000 29.323) 29.323 2.290 ( 0.000 0.000 -24.449) 24.449 2.290 ( 0.000 0.000 24.449) 24.449 2.551 ( 0.000 0.000 -14.171) 14.171 2.551 ( 0.000 0.000 14.171) 14.171 2.726 ( 0.000 0.000 -7.868) 7.868 2.726 ( 0.000 0.000 7.868) 7.868 2.941 ( 0.000 0.000 -10.331) 10.331 2.941 ( 0.000 0.000 10.331) 10.331 3.065 ( 0.000 0.000 -6.069) 6.069 3.065 ( 0.000 0.000 6.069) 6.069 3.283 ( 0.000 0.000 -2.040) 2.040 3.283 ( 0.000 0.000 2.040) 2.040 3.511 ( 0.000 0.000 -7.915) 7.915 3.511 ( 0.000 0.000 7.915) 7.915 3.915 ( 0.000 0.000 -12.558) 12.558 3.915 ( 0.000 0.000 12.558) 12.558 4.568 ( 0.000 0.000 -10.726) 10.726 4.568 ( 0.000 0.000 10.726) 10.726 4.825 ( 0.000 0.000 -0.553) 0.553 4.825 ( 0.000 0.000 0.553) 0.553 4.944 ( 0.000 0.000 -9.293) 9.293 4.944 ( 0.000 0.000 9.293) 9.293 5.172 ( 0.000 0.000 -1.382) 1.382 5.172 ( 0.000 0.000 1.382) 1.382 5.697 ( 0.000 0.000 -3.739) 3.739 5.697 ( 0.000 0.000 3.739) 3.739 6.453 ( 0.000 0.000 -1.759) 1.759 6.453 ( 0.000 0.000 1.759) 1.759 6.949 ( 0.000 0.000 -5.366) 5.366 6.949 ( 0.000 0.000 5.366) 5.366 7.212 ( 0.000 0.000 -0.566) 0.566 7.212 ( 0.000 0.000 0.566) 0.566 7.460 ( 0.000 0.000 -3.167) 3.167 7.460 ( 0.000 0.000 3.167) 3.167 8.053 ( 0.000 0.000 -10.043) 10.043 8.053 ( 0.000 0.000 10.043) 10.043 8.152 ( 0.000 0.000 -1.813) 1.813 8.152 ( 0.000 0.000 1.813) 1.813 8.286 ( 0.000 0.000 -7.138) 7.138 8.286 ( 0.000 0.000 7.138) 7.138 8.974 ( 0.000 0.000 -4.468) 4.468 8.974 ( 0.000 0.000 4.468) 4.468 9.234 ( 0.000 0.000 -2.010) 2.010 9.234 ( 0.000 0.000 2.010) 2.010 9.530 ( 0.000 0.000 -12.161) 12.161 9.530 ( 0.000 0.000 12.161) 12.161 9.741 ( 0.000 0.000 -4.944) 4.944 9.741 ( 0.000 0.000 4.944) 4.944 10.235 ( 0.000 0.000 -4.219) 4.219 10.235 ( 0.000 0.000 4.219) 4.219 10.421 ( 0.000 0.000 -16.270) 16.270 10.421 ( 0.000 0.000 16.270) 16.270 11.005 ( 0.000 0.000 -7.689) 7.689 11.005 ( 0.000 0.000 7.689) 7.689 11.205 ( 0.000 0.000 -17.617) 17.617 11.205 ( 0.000 0.000 17.617) 17.617 11.451 ( 0.000 0.000 -5.990) 5.990 11.451 ( 0.000 0.000 5.990) 5.990 11.937 ( 0.000 0.000 -6.787) 6.787 11.937 ( 0.000 0.000 6.787) 6.787 12.580 ( 0.000 0.000 -21.965) 21.965 12.580 ( 0.000 0.000 21.965) 21.965 13.372 ( 0.000 0.000 -3.768) 3.768 13.372 ( 0.000 0.000 3.768) 3.768 13.468 ( 0.000 0.000 -17.100) 17.100 13.468 ( 0.000 0.000 17.100) 17.100 13.540 ( 0.000 0.000 -15.859) 15.859 13.540 ( 0.000 0.000 15.859) 15.859 14.136 ( 0.000 0.000 -4.790) 4.790 14.136 ( 0.000 0.000 4.790) 4.790 14.863 ( 0.000 0.000 -6.869) 6.869 14.863 ( 0.000 0.000 6.869) 6.869 15.185 ( 0.000 0.000 -1.715) 1.715 15.185 ( 0.000 0.000 1.715) 1.715 15.835 ( 0.000 0.000 -14.235) 14.235 15.835 ( 0.000 0.000 14.235) 14.235 17.947 ( 0.000 0.000 -27.513) 27.513 17.947 ( 0.000 0.000 27.513) 27.513 18.148 ( 0.000 0.000 -2.708) 2.708 18.148 ( 0.000 0.000 2.708) 2.708 18.158 ( 0.000 0.000 -2.820) 2.820 18.158 ( 0.000 0.000 2.820) 2.820 19.859 ( 0.000 0.000 -4.278) 4.278 19.859 ( 0.000 0.000 4.278) 4.278 20.758 ( 0.000 0.000 -6.348) 6.348 20.758 ( 0.000 0.000 6.348) 6.348 21.462 ( 0.000 0.000 -4.747) 4.747 21.462 ( 0.000 0.000 4.747) 4.747 23.994 ( 0.000 0.000 -10.966) 10.966 23.994 ( 0.000 0.000 10.966) 10.966 25.389 ( 0.000 0.000 -13.111) 13.111 25.389 ( 0.000 0.000 13.111) 13.111 ======================= Grid point 152 (50/72) ======================= q-point: ( 0.20 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.86e-04 2.86e-04 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 64 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.329 ( 6.090 0.000 -24.028) 24.788 1.329 ( 6.090 0.000 24.028) 24.788 1.615 ( 8.495 0.000 -26.085) 27.433 1.615 ( 8.495 0.000 26.085) 27.433 2.312 ( -4.881 0.000 -6.711) 8.299 2.312 ( -4.881 0.000 6.711) 8.299 2.580 ( 10.470 0.000 -30.488) 32.236 2.580 ( 10.470 0.000 30.488) 32.236 2.588 ( -12.059 0.000 -9.801) 15.539 2.588 ( -12.059 0.000 9.801) 15.539 2.896 ( -2.504 0.000 -7.955) 8.340 2.896 ( -2.504 0.000 7.955) 8.340 3.082 ( 0.908 0.000 -4.844) 4.928 3.082 ( 0.908 0.000 4.844) 4.928 3.325 ( 3.357 0.000 -1.565) 3.704 3.325 ( 3.357 0.000 1.565) 3.704 3.585 ( 3.673 0.000 -7.666) 8.500 3.585 ( 3.673 0.000 7.666) 8.500 3.896 ( -3.041 0.000 -12.921) 13.274 3.896 ( -3.041 0.000 12.921) 13.274 4.498 ( -4.202 0.000 -9.200) 10.114 4.498 ( -4.202 0.000 9.200) 10.114 4.862 ( 3.663 0.000 -0.751) 3.739 4.862 ( 3.663 0.000 0.751) 3.739 4.937 ( -1.250 0.000 -8.266) 8.360 4.937 ( -1.250 0.000 8.266) 8.360 5.144 ( -2.862 0.000 -1.338) 3.159 5.144 ( -2.862 0.000 1.338) 3.159 5.753 ( 4.927 0.000 -5.944) 7.721 5.753 ( 4.927 0.000 5.944) 7.721 6.363 ( -6.372 0.000 -2.751) 6.940 6.363 ( -6.372 0.000 2.751) 6.940 7.069 ( 6.290 0.000 -6.802) 9.265 7.069 ( 6.290 0.000 6.802) 9.265 7.296 ( 8.125 0.000 -3.650) 8.907 7.296 ( 8.125 0.000 3.650) 8.907 7.549 ( 8.248 0.000 -5.652) 9.999 7.549 ( 8.248 0.000 5.652) 9.999 7.999 ( -1.439 0.000 -4.393) 4.623 7.999 ( -1.439 0.000 4.393) 4.623 8.154 ( 0.105 0.000 -1.458) 1.462 8.154 ( 0.105 0.000 1.458) 1.462 8.289 ( -0.557 0.000 -1.034) 1.175 8.289 ( -0.557 0.000 1.034) 1.175 9.027 ( 5.323 0.000 -3.829) 6.557 9.027 ( 5.323 0.000 3.829) 6.557 9.232 ( -0.095 0.000 -1.495) 1.498 9.232 ( -0.095 0.000 1.495) 1.498 9.468 ( -5.898 0.000 -11.392) 12.828 9.468 ( -5.898 0.000 11.392) 12.828 9.635 ( -9.524 0.000 -2.318) 9.802 9.635 ( -9.524 0.000 2.318) 9.802 10.068 ( -15.003 0.000 -6.525) 16.360 10.068 ( -15.003 0.000 6.525) 16.360 10.499 ( 6.733 0.000 -12.914) 14.564 10.499 ( 6.733 0.000 12.914) 14.564 10.980 ( -2.451 0.000 -7.351) 7.749 10.980 ( -2.451 0.000 7.351) 7.749 11.092 ( -6.431 0.000 -12.634) 14.177 11.092 ( -6.431 0.000 12.634) 14.177 11.581 ( 7.372 0.000 -10.836) 13.106 11.581 ( 7.372 0.000 10.836) 13.106 12.045 ( 9.668 0.000 -8.386) 12.799 12.045 ( 9.668 0.000 8.386) 12.799 12.632 ( 4.489 0.000 -16.645) 17.239 12.632 ( 4.489 0.000 16.645) 17.239 13.347 ( -1.943 0.000 -3.533) 4.032 13.347 ( -1.943 0.000 3.533) 4.032 13.474 ( 0.659 0.000 -16.718) 16.731 13.474 ( 0.659 0.000 16.718) 16.731 13.534 ( -0.628 0.000 -15.715) 15.727 13.534 ( -0.628 0.000 15.715) 15.727 14.184 ( 4.501 0.000 -5.896) 7.418 14.184 ( 4.501 0.000 5.896) 7.418 14.840 ( -3.210 0.000 -6.875) 7.588 14.840 ( -3.210 0.000 6.875) 7.588 15.172 ( -0.634 0.000 -1.634) 1.752 15.172 ( -0.634 0.000 1.634) 1.752 15.789 ( -4.022 0.000 -12.031) 12.686 15.789 ( -4.022 0.000 12.031) 12.686 17.977 ( 2.885 0.000 -24.471) 24.640 17.977 ( 2.885 0.000 24.471) 24.640 18.147 ( -0.059 0.000 -1.920) 1.921 18.147 ( -0.059 0.000 1.920) 1.921 18.159 ( 0.060 0.000 -2.011) 2.012 18.159 ( 0.060 0.000 2.011) 2.012 19.801 ( -6.936 0.000 -7.698) 10.362 19.801 ( -6.936 0.000 7.698) 10.362 20.691 ( -8.932 0.000 -8.346) 12.224 20.691 ( -8.932 0.000 8.346) 12.224 21.028 ( -27.050 0.000 -11.989) 29.587 21.028 ( -27.050 0.000 11.989) 29.587 24.221 ( 14.544 0.000 -14.544) 20.569 24.221 ( 14.544 0.000 14.544) 20.569 25.513 ( 10.694 0.000 -8.998) 13.976 25.513 ( 10.694 0.000 8.998) 13.976 ======================= Grid point 154 (51/72) ======================= q-point: ( 0.40 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.86e-04 2.86e-04 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 64 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.456 ( 5.291 0.000 -11.699) 12.840 1.456 ( 5.291 0.000 11.699) 12.840 1.809 ( 9.074 0.000 -14.686) 17.263 1.809 ( 9.074 0.000 14.686) 17.263 2.137 ( -7.821 0.000 -4.591) 9.069 2.137 ( -7.821 0.000 4.591) 9.069 2.344 ( -10.453 0.000 -8.824) 13.680 2.344 ( -10.453 0.000 8.824) 13.680 2.806 ( 1.485 0.000 -1.052) 1.820 2.806 ( 1.485 0.000 1.052) 1.820 3.025 ( 22.878 0.000 -27.643) 35.882 3.025 ( 22.878 0.000 27.643) 35.882 3.092 ( 0.215 0.000 -1.774) 1.787 3.092 ( 0.215 0.000 1.774) 1.787 3.377 ( 1.555 0.000 -0.588) 1.662 3.377 ( 1.555 0.000 0.588) 1.662 3.486 ( -17.375 0.000 -6.737) 18.635 3.486 ( -17.375 0.000 6.737) 18.635 3.794 ( -3.110 0.000 -8.816) 9.349 3.794 ( -3.110 0.000 8.816) 9.349 4.521 ( 4.613 0.000 -4.223) 6.254 4.521 ( 4.613 0.000 4.223) 6.254 4.886 ( -3.183 0.000 -5.432) 6.296 4.886 ( -3.183 0.000 5.432) 6.296 4.952 ( 5.028 0.000 -0.947) 5.117 4.952 ( 5.028 0.000 0.947) 5.117 5.069 ( -4.539 0.000 -1.138) 4.679 5.069 ( -4.539 0.000 1.138) 4.679 5.843 ( 3.217 0.000 -4.027) 5.154 5.843 ( 3.217 0.000 4.027) 5.154 6.265 ( -3.107 0.000 -2.811) 4.190 6.265 ( -3.107 0.000 2.811) 4.190 7.134 ( 1.444 0.000 -2.421) 2.819 7.134 ( 1.444 0.000 2.421) 2.819 7.357 ( -1.471 0.000 -2.592) 2.981 7.357 ( -1.471 0.000 2.592) 2.981 7.779 ( 14.188 0.000 -6.279) 15.515 7.779 ( 14.188 0.000 6.279) 15.515 7.999 ( -5.340 0.000 -2.602) 5.940 7.999 ( -5.340 0.000 2.602) 5.940 8.156 ( 0.070 0.000 -0.552) 0.556 8.156 ( 0.070 0.000 0.552) 0.556 8.335 ( 7.292 0.000 -3.625) 8.143 8.335 ( 7.292 0.000 3.625) 8.143 9.157 ( 6.344 0.000 -1.568) 6.535 9.157 ( 6.344 0.000 1.568) 6.535 9.240 ( 1.866 0.000 -3.511) 3.976 9.240 ( 1.866 0.000 3.511) 3.976 9.312 ( -8.722 0.000 -5.183) 10.146 9.312 ( -8.722 0.000 5.183) 10.146 9.429 ( -10.249 0.000 -2.368) 10.519 9.429 ( -10.249 0.000 2.368) 10.519 9.804 ( -8.249 0.000 -4.369) 9.335 9.804 ( -8.249 0.000 4.369) 9.335 10.623 ( 4.520 0.000 -6.087) 7.581 10.623 ( 4.520 0.000 6.087) 7.581 10.925 ( -2.494 0.000 -4.415) 5.071 10.925 ( -2.494 0.000 4.415) 5.071 11.009 ( -2.151 0.000 -4.681) 5.152 11.009 ( -2.151 0.000 4.681) 5.152 11.674 ( 2.331 0.000 -4.347) 4.933 11.674 ( 2.331 0.000 4.347) 4.933 12.214 ( 5.554 0.000 -4.912) 7.415 12.214 ( 5.554 0.000 4.912) 7.415 12.708 ( 2.420 0.000 -5.888) 6.366 12.708 ( 2.420 0.000 5.888) 6.366 13.319 ( -0.766 0.000 -1.685) 1.851 13.319 ( -0.766 0.000 1.685) 1.851 13.490 ( 0.853 0.000 -13.328) 13.356 13.490 ( 0.853 0.000 13.328) 13.356 13.519 ( -0.834 0.000 -12.945) 12.972 13.519 ( -0.834 0.000 12.945) 12.972 14.282 ( 4.422 0.000 -4.905) 6.604 14.282 ( 4.422 0.000 4.905) 6.604 14.736 ( -5.580 0.000 -5.961) 8.165 14.736 ( -5.580 0.000 5.961) 8.165 15.178 ( 0.785 0.000 -0.780) 1.107 15.178 ( 0.785 0.000 0.780) 1.107 15.719 ( -2.342 0.000 -4.567) 5.132 15.719 ( -2.342 0.000 4.567) 5.132 18.036 ( 2.282 0.000 -11.291) 11.520 18.036 ( 2.282 0.000 11.291) 11.520 18.146 ( -0.031 0.000 -0.625) 0.625 18.146 ( -0.031 0.000 0.625) 0.625 18.160 ( 0.032 0.000 -0.659) 0.660 18.160 ( 0.032 0.000 0.659) 0.660 19.610 ( -8.780 0.000 -8.145) 11.976 19.610 ( -8.780 0.000 8.145) 11.976 20.463 ( -7.133 0.000 -5.039) 8.734 20.463 ( -7.133 0.000 5.039) 8.734 20.792 ( -3.254 0.000 -3.457) 4.748 20.792 ( -3.254 0.000 3.457) 4.748 24.401 ( 4.198 0.000 -6.023) 7.341 24.401 ( 4.198 0.000 6.023) 7.341 25.690 ( 5.455 0.000 -2.891) 6.173 25.690 ( 5.455 0.000 2.891) 6.173 ======================= Grid point 160 (52/72) ======================= q-point: ( 0.00 0.07 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.86e-04 2.86e-04 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 63 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.372 ( 0.000 8.909 -13.704) 16.345 1.372 ( 0.000 8.909 13.704) 16.345 1.512 ( 0.000 4.770 -17.770) 18.399 1.512 ( 0.000 4.770 17.770) 18.399 2.429 ( 0.000 5.234 -1.197) 5.369 2.429 ( 0.000 5.234 1.197) 5.369 2.684 ( 0.000 18.946 -28.144) 33.927 2.684 ( 0.000 18.946 28.144) 33.927 2.847 ( 0.000 10.819 -6.171) 12.455 2.847 ( 0.000 10.819 6.171) 12.455 2.978 ( 0.000 4.391 -11.411) 12.227 2.978 ( 0.000 4.391 11.411) 12.227 3.088 ( 0.000 2.014 -3.131) 3.723 3.088 ( 0.000 2.014 3.131) 3.723 3.360 ( 0.000 6.922 -0.350) 6.931 3.360 ( 0.000 6.922 0.350) 6.931 3.550 ( 0.000 2.873 -4.745) 5.547 3.550 ( 0.000 2.873 4.745) 5.547 3.861 ( 0.000 -0.941 -11.413) 11.452 3.861 ( 0.000 -0.941 11.413) 11.452 4.559 ( 0.000 -0.142 -10.998) 10.999 4.559 ( 0.000 -0.142 10.998) 10.999 4.881 ( 0.000 -0.163 -9.776) 9.777 4.881 ( 0.000 -0.163 9.776) 9.777 5.205 ( 0.000 26.360 -2.107) 26.444 5.205 ( 0.000 26.360 2.107) 26.444 5.442 ( 0.000 25.697 -2.127) 25.785 5.442 ( 0.000 25.697 2.127) 25.785 5.741 ( 0.000 5.674 -2.713) 6.289 5.741 ( 0.000 5.674 2.713) 6.289 6.381 ( 0.000 -5.090 -1.124) 5.213 6.381 ( 0.000 -5.090 1.124) 5.213 6.945 ( 0.000 -0.068 -4.855) 4.855 6.945 ( 0.000 -0.068 4.855) 4.855 7.228 ( 0.000 1.698 -0.304) 1.725 7.228 ( 0.000 1.698 0.304) 1.725 7.419 ( 0.000 -3.149 -3.875) 4.993 7.419 ( 0.000 -3.149 3.875) 4.993 8.029 ( 0.000 0.367 -10.026) 10.033 8.029 ( 0.000 0.367 10.026) 10.033 8.222 ( 0.000 -3.970 -7.125) 8.156 8.222 ( 0.000 -3.970 7.125) 8.156 8.377 ( 0.000 16.571 -3.144) 16.867 8.377 ( 0.000 16.571 3.144) 16.867 9.106 ( 0.000 5.212 -2.438) 5.754 9.106 ( 0.000 5.212 2.438) 5.754 9.169 ( 0.000 -0.430 -2.243) 2.284 9.169 ( 0.000 -0.430 2.243) 2.284 9.538 ( 0.000 3.781 -8.036) 8.881 9.538 ( 0.000 3.781 8.036) 8.881 9.851 ( 0.000 2.691 -2.979) 4.015 9.851 ( 0.000 2.691 2.979) 4.015 10.011 ( 0.000 2.298 -7.394) 7.742 10.011 ( 0.000 2.298 7.394) 7.742 10.744 ( 0.000 -6.068 -1.275) 6.201 10.744 ( 0.000 -6.068 1.275) 6.201 10.961 ( 0.000 17.020 -7.033) 18.416 10.961 ( 0.000 17.020 7.033) 18.416 11.287 ( 0.000 5.305 -7.171) 8.920 11.287 ( 0.000 5.305 7.171) 8.920 11.582 ( 0.000 10.780 -8.951) 14.012 11.582 ( 0.000 10.780 8.951) 14.012 12.033 ( 0.000 9.213 -10.795) 14.192 12.033 ( 0.000 9.213 10.795) 14.192 12.561 ( 0.000 -2.100 -21.150) 21.254 12.561 ( 0.000 -2.100 21.150) 21.254 13.011 ( 0.000 -26.373 -8.870) 27.825 13.011 ( 0.000 -26.373 8.870) 27.825 13.138 ( 0.000 -26.965 -14.655) 30.691 13.138 ( 0.000 -26.965 14.655) 30.691 13.647 ( 0.000 3.194 -10.349) 10.831 13.647 ( 0.000 3.194 10.349) 10.831 14.201 ( 0.000 4.284 -4.580) 6.271 14.201 ( 0.000 4.284 4.580) 6.271 15.138 ( 0.000 22.027 -9.514) 23.994 15.138 ( 0.000 22.027 9.514) 23.994 15.251 ( 0.000 6.084 -3.134) 6.844 15.251 ( 0.000 6.084 3.134) 6.844 15.827 ( 0.000 -0.370 -12.794) 12.799 15.827 ( 0.000 -0.370 12.794) 12.799 17.599 ( 0.000 -22.321 -9.788) 24.372 17.599 ( 0.000 -22.321 9.788) 24.372 17.749 ( 0.000 -31.870 -5.305) 32.308 17.749 ( 0.000 -31.870 5.305) 32.308 18.397 ( 0.000 12.161 -22.009) 25.146 18.397 ( 0.000 12.161 22.009) 25.146 20.129 ( 0.000 15.997 -2.747) 16.231 20.129 ( 0.000 15.997 2.747) 16.231 20.913 ( 0.000 15.824 -4.043) 16.332 20.913 ( 0.000 15.824 4.043) 16.332 21.413 ( 0.000 -2.691 -1.603) 3.132 21.413 ( 0.000 -2.691 1.603) 3.132 23.949 ( 0.000 -3.906 -10.324) 11.038 23.949 ( 0.000 -3.906 10.324) 11.038 25.260 ( 0.000 -12.480 -11.236) 16.792 25.260 ( 0.000 -12.480 11.236) 16.792 ======================= Grid point 162 (53/72) ======================= q-point: ( 0.20 0.07 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.86e-04 2.86e-04 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 105 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.424 ( 5.370 9.002 -18.411) 21.186 1.424 ( 5.370 9.002 18.411) 21.186 1.632 ( 10.812 4.842 -23.084) 25.946 1.632 ( 10.812 4.842 23.084) 25.946 2.350 ( -8.030 3.356 -3.553) 9.401 2.350 ( -8.030 3.356 3.553) 9.401 2.659 ( -12.738 8.096 -3.131) 15.414 2.659 ( -12.738 8.096 3.131) 15.414 2.788 ( 6.284 14.632 -13.807) 21.076 2.788 ( 6.284 14.632 13.807) 21.076 2.955 ( 1.800 9.335 -15.202) 17.930 2.955 ( 1.800 9.335 15.202) 17.930 3.136 ( 1.452 4.849 -4.485) 6.763 3.136 ( 1.452 4.849 4.485) 6.763 3.394 ( 3.352 5.945 -1.983) 7.107 3.394 ( 3.352 5.945 1.983) 7.107 3.596 ( 2.143 1.760 -6.353) 6.932 3.596 ( 2.143 1.760 6.353) 6.932 3.877 ( 0.230 0.983 -11.035) 11.081 3.877 ( 0.230 0.983 11.035) 11.081 4.499 ( -4.383 0.951 -8.675) 9.765 4.499 ( -4.383 0.951 8.675) 9.765 4.867 ( -0.915 -0.920 -7.772) 7.880 4.867 ( -0.915 -0.920 7.772) 7.880 5.238 ( 2.861 27.529 -2.880) 27.827 5.238 ( 2.861 27.529 2.880) 27.827 5.433 ( -1.327 27.150 -1.654) 27.232 5.433 ( -1.327 27.150 1.654) 27.232 5.775 ( 3.152 3.018 -4.941) 6.592 5.775 ( 3.152 3.018 4.941) 6.592 6.322 ( -4.687 -3.073 -2.997) 6.356 6.322 ( -4.687 -3.073 2.997) 6.356 7.040 ( 6.296 -2.101 -5.400) 8.556 7.040 ( 6.296 -2.101 5.400) 8.556 7.287 ( 5.575 -0.036 -2.129) 5.968 7.287 ( 5.575 -0.036 2.129) 5.968 7.504 ( 8.423 -3.277 -4.294) 10.007 7.504 ( 8.423 -3.277 4.294) 10.007 7.947 ( -5.482 -1.380 -3.800) 6.811 7.947 ( -5.482 -1.380 3.800) 6.811 8.194 ( -3.197 -1.363 -1.753) 3.893 8.194 ( -3.197 -1.363 1.753) 3.893 8.459 ( 7.383 16.846 -4.531) 18.943 8.459 ( 7.383 16.846 4.531) 18.943 9.119 ( 0.397 -2.530 -4.087) 4.823 9.119 ( 0.397 -2.530 4.087) 4.823 9.203 ( 4.081 6.778 -4.192) 8.954 9.203 ( 4.081 6.778 4.192) 8.954 9.461 ( -7.162 2.563 -8.214) 11.195 9.461 ( -7.162 2.563 8.214) 11.195 9.756 ( -8.603 7.008 -2.886) 11.465 9.756 ( -8.603 7.008 2.886) 11.465 10.015 ( -1.314 4.844 -3.961) 6.393 10.015 ( -1.314 4.844 3.961) 6.393 10.719 ( -1.967 -1.106 -2.602) 3.444 10.719 ( -1.967 -1.106 2.602) 3.444 10.870 ( -6.481 6.805 -3.121) 9.902 10.870 ( -6.481 6.805 3.121) 9.902 11.206 ( -6.205 8.745 -4.267) 11.541 11.206 ( -6.205 8.745 4.267) 11.541 11.635 ( 4.024 5.045 -9.699) 11.650 11.635 ( 4.024 5.045 9.699) 11.650 12.156 ( 9.730 8.726 -8.644) 15.670 12.156 ( 9.730 8.726 8.644) 15.670 12.610 ( 4.281 -2.551 -14.869) 15.682 12.610 ( 4.281 -2.551 14.869) 15.682 12.998 ( -1.175 -26.614 -6.744) 27.481 12.998 ( -1.175 -26.614 6.744) 27.481 13.164 ( 2.636 -24.646 -11.518) 27.331 13.164 ( 2.636 -24.646 11.518) 27.331 13.603 ( -3.749 1.382 -9.237) 10.064 13.603 ( -3.749 1.382 9.237) 10.064 14.280 ( 7.344 6.670 -5.934) 11.560 14.280 ( 7.344 6.670 5.934) 11.560 15.091 ( -6.550 18.002 -9.534) 21.398 15.091 ( -6.550 18.002 9.534) 21.398 15.244 ( 0.802 8.611 -3.121) 9.194 15.244 ( 0.802 8.611 3.121) 9.194 15.791 ( -3.156 0.536 -10.268) 10.755 15.791 ( -3.156 0.536 10.268) 10.755 17.607 ( 0.776 -22.740 -8.453) 24.273 17.607 ( 0.776 -22.740 8.453) 24.273 17.746 ( -0.332 -31.869 -4.693) 32.214 17.746 ( -0.332 -31.869 4.693) 32.214 18.427 ( 2.902 13.000 -20.112) 24.123 18.427 ( 2.902 13.000 20.112) 24.123 20.067 ( -7.705 13.776 -7.903) 17.653 20.067 ( -7.705 13.776 7.903) 17.653 20.831 ( -11.562 15.448 -5.940) 20.189 20.831 ( -11.562 15.448 5.940) 20.189 21.074 ( -18.879 6.927 -9.722) 22.336 21.074 ( -18.879 6.927 9.722) 22.336 24.154 ( 13.793 -6.240 -13.356) 20.188 24.154 ( 13.793 -6.240 13.356) 20.188 25.365 ( 9.267 -14.249 -7.935) 18.758 25.365 ( 9.267 -14.249 7.935) 18.758 ======================= Grid point 164 (54/72) ======================= q-point: ( 0.40 0.07 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.86e-04 2.86e-04 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 105 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.546 ( 5.368 9.221 -9.751) 14.454 1.546 ( 5.368 9.221 9.751) 14.454 1.850 ( 8.681 5.046 -14.420) 17.572 1.850 ( 8.681 5.046 14.420) 17.572 2.203 ( -3.036 5.600 -3.390) 7.216 2.203 ( -3.036 5.600 3.390) 7.216 2.371 ( -14.122 3.911 -8.287) 16.835 2.371 ( -14.122 3.911 8.287) 16.835 2.847 ( -0.044 4.156 -1.228) 4.334 2.847 ( -0.044 4.156 1.228) 4.334 3.138 ( 1.839 4.963 -2.871) 6.021 3.138 ( 1.839 4.963 2.871) 6.021 3.195 ( 17.451 14.828 -20.850) 30.970 3.195 ( 17.451 14.828 20.850) 30.970 3.444 ( 0.030 6.105 -2.698) 6.675 3.444 ( 0.030 6.105 2.698) 6.675 3.552 ( -8.578 6.698 -2.496) 11.165 3.552 ( -8.578 6.698 2.496) 11.165 3.802 ( -4.972 3.093 -10.011) 11.598 3.802 ( -4.972 3.093 10.011) 11.598 4.479 ( 1.697 -1.840 -3.423) 4.241 4.479 ( 1.697 -1.840 3.423) 4.241 4.854 ( -0.400 -1.023 -3.313) 3.490 4.854 ( -0.400 -1.023 3.313) 3.490 5.297 ( 2.895 29.316 -2.492) 29.563 5.297 ( 2.895 29.316 2.492) 29.563 5.387 ( -2.884 29.331 -1.250) 29.499 5.387 ( -2.884 29.331 1.250) 29.499 5.837 ( 2.320 -0.255 -3.571) 4.266 5.837 ( 2.320 -0.255 3.571) 4.266 6.244 ( -2.599 -1.848 -2.367) 3.971 6.244 ( -2.599 -1.848 2.367) 3.971 7.113 ( 1.538 -1.333 -2.066) 2.900 7.113 ( 1.538 -1.333 2.066) 2.900 7.356 ( 0.679 -0.006 -1.996) 2.109 7.356 ( 0.679 -0.006 1.996) 2.109 7.727 ( 12.616 -4.565 -3.589) 13.888 7.727 ( 12.616 -4.565 3.589) 13.888 7.888 ( -1.978 -5.240 -1.304) 5.750 7.888 ( -1.978 -5.240 1.304) 5.750 8.087 ( -6.689 -1.995 -2.484) 7.409 8.087 ( -6.689 -1.995 2.484) 7.409 8.653 ( 10.798 20.217 -4.202) 23.302 8.653 ( 10.798 20.217 4.202) 23.302 9.103 ( -2.272 -7.756 -1.955) 8.315 9.103 ( -2.272 -7.756 1.955) 8.315 9.267 ( -5.264 -0.428 -3.230) 6.191 9.267 ( -5.264 -0.428 3.230) 6.191 9.342 ( 3.838 11.154 -4.851) 12.754 9.342 ( 3.838 11.154 4.851) 12.754 9.573 ( -8.652 11.311 -3.998) 14.791 9.573 ( -8.652 11.311 3.998) 14.791 9.953 ( -3.192 14.391 -1.784) 14.848 9.953 ( -3.192 14.391 1.784) 14.848 10.706 ( 0.675 4.142 -4.859) 6.420 10.706 ( 0.675 4.142 4.859) 6.420 10.781 ( -2.583 -8.462 -5.081) 10.203 10.781 ( -2.583 -8.462 5.081) 10.203 11.105 ( -3.247 8.657 -2.211) 9.507 11.105 ( -3.247 8.657 2.211) 9.507 11.697 ( 1.804 2.956 -3.625) 5.013 11.697 ( 1.804 2.956 3.625) 5.013 12.310 ( 4.675 5.751 -3.764) 8.313 12.310 ( 4.675 5.751 3.764) 8.313 12.684 ( 2.461 -2.882 -4.992) 6.268 12.684 ( 2.461 -2.882 4.992) 6.268 12.974 ( -0.954 -27.609 -2.605) 27.748 12.974 ( -0.954 -27.609 2.605) 27.748 13.223 ( 2.491 -20.410 -4.688) 21.089 13.223 ( 2.491 -20.410 4.688) 21.089 13.535 ( -2.454 -1.188 -4.579) 5.329 13.535 ( -2.454 -1.188 4.579) 5.329 14.441 ( 7.379 11.633 -5.912) 14.991 14.441 ( 7.379 11.633 5.912) 14.991 14.912 ( -8.820 11.017 -7.747) 16.099 14.912 ( -8.820 11.017 7.747) 16.099 15.277 ( 1.551 11.806 -1.616) 12.017 15.277 ( 1.551 11.806 1.616) 12.017 15.736 ( -1.824 1.900 -3.551) 4.421 15.736 ( -1.824 1.900 3.551) 4.421 17.622 ( 0.533 -23.436 -3.668) 23.727 17.622 ( 0.533 -23.436 3.668) 23.727 17.739 ( -0.247 -31.893 -2.153) 31.967 17.739 ( -0.247 -31.893 2.153) 31.967 18.489 ( 2.523 14.694 -9.929) 17.913 18.489 ( 2.523 14.694 9.929) 17.913 19.846 ( -10.224 9.920 -9.214) 16.966 19.846 ( -10.224 9.920 9.214) 16.966 20.602 ( -5.585 18.223 -3.318) 19.346 20.602 ( -5.585 18.223 3.318) 19.346 20.923 ( -2.389 13.377 -2.390) 13.797 20.923 ( -2.389 13.377 2.390) 13.797 24.331 ( 4.296 -6.774 -5.733) 9.860 24.331 ( 4.296 -6.774 5.733) 9.860 25.525 ( 5.103 -16.061 -2.319) 17.011 25.525 ( 5.103 -16.061 2.319) 17.011 ======================= Grid point 170 (55/72) ======================= q-point: ( 0.00 0.14 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.86e-04 2.86e-04 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 66 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.583 ( 0.000 15.269 -10.646) 18.613 1.583 ( 0.000 15.269 10.646) 18.613 1.790 ( 0.000 19.927 -9.589) 22.114 1.790 ( 0.000 19.927 9.589) 22.114 2.519 ( 0.000 5.966 -1.944) 6.274 2.519 ( 0.000 5.966 1.944) 6.274 3.033 ( 0.000 10.774 -5.518) 12.105 3.033 ( 0.000 10.774 5.518) 12.105 3.073 ( 0.000 8.006 -1.317) 8.113 3.073 ( 0.000 8.006 1.317) 8.113 3.156 ( 0.000 8.565 -4.662) 9.752 3.156 ( 0.000 8.565 4.662) 9.752 3.232 ( 0.000 23.257 -20.756) 31.172 3.232 ( 0.000 23.257 20.756) 31.172 3.446 ( 0.000 0.723 -6.895) 6.933 3.446 ( 0.000 0.723 6.895) 6.933 3.653 ( 0.000 9.671 -1.991) 9.874 3.653 ( 0.000 9.671 1.991) 9.874 3.970 ( 0.000 10.909 -8.056) 13.561 3.970 ( 0.000 10.909 8.056) 13.561 4.580 ( 0.000 2.512 -10.743) 11.033 4.580 ( 0.000 2.512 10.743) 11.033 4.872 ( 0.000 -0.229 -9.674) 9.676 4.872 ( 0.000 -0.229 9.674) 9.676 5.581 ( 0.000 8.626 -2.425) 8.960 5.581 ( 0.000 8.626 2.425) 8.960 5.934 ( 0.000 9.227 -0.648) 9.250 5.934 ( 0.000 9.227 0.648) 9.250 6.096 ( 0.000 36.583 -1.773) 36.626 6.096 ( 0.000 36.583 1.773) 36.626 6.421 ( 0.000 15.911 -3.185) 16.227 6.421 ( 0.000 15.911 3.185) 16.227 6.955 ( 0.000 1.334 -3.780) 4.009 6.955 ( 0.000 1.334 3.780) 4.009 7.273 ( 0.000 2.823 -2.176) 3.564 7.273 ( 0.000 2.823 2.176) 3.564 7.388 ( 0.000 1.329 -0.414) 1.392 7.388 ( 0.000 1.329 0.414) 1.392 8.063 ( 0.000 3.312 -6.231) 7.056 8.063 ( 0.000 3.312 6.231) 7.056 8.199 ( 0.000 2.504 -6.509) 6.974 8.199 ( 0.000 2.504 6.509) 6.974 8.710 ( 0.000 16.540 -3.702) 16.950 8.710 ( 0.000 16.540 3.702) 16.950 8.995 ( 0.000 -5.757 -4.674) 7.415 8.995 ( 0.000 -5.757 4.674) 7.415 9.344 ( 0.000 9.725 -0.772) 9.756 9.344 ( 0.000 9.725 0.772) 9.756 9.691 ( 0.000 8.319 -3.260) 8.935 9.691 ( 0.000 8.319 3.260) 8.935 9.886 ( 0.000 7.624 -2.027) 7.889 9.886 ( 0.000 7.624 2.027) 7.889 10.276 ( 0.000 16.668 -4.229) 17.196 10.276 ( 0.000 16.668 4.229) 17.196 10.541 ( 0.000 -9.018 -2.759) 9.431 10.541 ( 0.000 -9.018 2.759) 9.431 11.156 ( 0.000 1.191 -7.390) 7.485 11.156 ( 0.000 1.191 7.390) 7.485 11.423 ( 0.000 2.480 -12.978) 13.213 11.423 ( 0.000 2.480 12.978) 13.213 11.790 ( 0.000 9.468 -10.674) 14.268 11.790 ( 0.000 9.468 10.674) 14.268 12.199 ( 0.000 3.752 -8.353) 9.157 12.199 ( 0.000 3.752 8.353) 9.157 12.400 ( 0.000 -23.288 -5.180) 23.857 12.400 ( 0.000 -23.288 5.180) 23.857 12.522 ( 0.000 -12.697 -25.455) 28.446 12.522 ( 0.000 -12.697 25.455) 28.446 12.754 ( 0.000 -4.818 -21.916) 22.439 12.754 ( 0.000 -4.818 21.916) 22.439 13.647 ( 0.000 -2.182 -9.000) 9.261 13.647 ( 0.000 -2.182 9.000) 9.261 14.274 ( 0.000 3.488 -6.651) 7.511 14.274 ( 0.000 3.488 6.651) 7.511 15.304 ( 0.000 0.229 -8.000) 8.003 15.304 ( 0.000 0.229 8.000) 8.003 15.578 ( 0.000 17.988 -8.962) 20.097 15.578 ( 0.000 17.988 8.962) 20.097 15.838 ( 0.000 1.115 -8.436) 8.509 15.838 ( 0.000 1.115 8.436) 8.509 17.159 ( 0.000 -22.956 -4.128) 23.324 17.159 ( 0.000 -22.956 4.128) 23.324 17.219 ( 0.000 -18.215 -1.021) 18.243 17.219 ( 0.000 -18.215 1.021) 18.243 18.544 ( 0.000 3.258 -30.979) 31.149 18.544 ( 0.000 3.258 30.979) 31.149 20.187 ( 0.000 -10.257 -8.127) 13.086 20.187 ( 0.000 -10.257 8.127) 13.086 21.319 ( 0.000 23.344 -1.515) 23.393 21.319 ( 0.000 23.344 1.515) 23.393 21.461 ( 0.000 7.931 -0.093) 7.931 21.461 ( 0.000 7.931 0.093) 7.931 23.876 ( 0.000 -3.002 -7.191) 7.792 23.876 ( 0.000 -3.002 7.191) 7.792 24.944 ( 0.000 -19.237 -8.528) 21.043 24.944 ( 0.000 -19.237 8.528) 21.043 ======================= Grid point 172 (56/72) ======================= q-point: ( 0.20 0.14 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.86e-04 2.86e-04 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 106 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.660 ( 7.124 15.527 -8.091) 18.903 1.660 ( 7.124 15.527 8.091) 18.903 1.854 ( 6.402 16.664 -11.786) 21.392 1.854 ( 6.402 16.664 11.786) 21.392 2.456 ( -6.037 7.707 -1.416) 9.892 2.456 ( -6.037 7.707 1.416) 9.892 2.820 ( -16.675 7.611 -5.902) 19.256 2.820 ( -16.675 7.611 5.902) 19.256 2.997 ( -2.269 10.008 -3.208) 10.752 2.997 ( -2.269 10.008 3.208) 10.752 3.237 ( 0.530 5.699 -3.536) 6.728 3.237 ( 0.530 5.699 3.536) 6.728 3.334 ( 8.874 22.183 -18.760) 30.378 3.334 ( 8.874 22.183 18.760) 30.378 3.496 ( 5.925 5.645 -5.327) 9.765 3.496 ( 5.925 5.645 5.327) 9.765 3.702 ( 2.845 9.477 -4.014) 10.677 3.702 ( 2.845 9.477 4.014) 10.677 3.989 ( 1.157 9.914 -8.961) 13.413 3.989 ( 1.157 9.914 8.961) 13.413 4.547 ( -3.128 4.055 -8.860) 10.234 4.547 ( -3.128 4.055 8.860) 10.234 4.853 ( -1.266 -0.341 -7.935) 8.043 4.853 ( -1.266 -0.341 7.935) 8.043 5.640 ( 5.431 7.652 -2.103) 9.616 5.640 ( 5.431 7.652 2.103) 9.616 5.935 ( -0.029 9.184 -0.685) 9.210 5.935 ( -0.029 9.184 0.685) 9.210 6.096 ( 0.085 37.764 -1.938) 37.814 6.096 ( 0.085 37.764 1.938) 37.814 6.376 ( -4.429 15.951 -2.970) 16.819 6.376 ( -4.429 15.951 2.970) 16.819 7.021 ( 5.718 0.515 -3.613) 6.783 7.021 ( 5.718 0.515 3.613) 6.783 7.303 ( 2.758 1.601 -1.686) 3.608 7.303 ( 2.758 1.601 1.686) 3.608 7.468 ( 7.898 0.590 -0.092) 7.921 7.468 ( 7.898 0.590 0.092) 7.921 7.972 ( -6.495 4.468 -2.268) 8.203 7.972 ( -6.495 4.468 2.268) 8.203 8.195 ( -2.446 2.467 -3.196) 4.721 8.195 ( -2.446 2.467 3.196) 4.721 8.778 ( 6.609 14.345 -3.795) 16.244 8.778 ( 6.609 14.345 3.795) 16.244 8.997 ( 0.213 -4.300 -4.102) 5.947 8.997 ( 0.213 -4.300 4.102) 5.947 9.358 ( 0.077 6.304 -0.975) 6.380 9.358 ( 0.077 6.304 0.975) 6.380 9.632 ( -3.764 12.738 -6.678) 14.867 9.632 ( -3.764 12.738 6.678) 14.867 9.875 ( -1.999 8.360 -4.978) 9.933 9.875 ( -1.999 8.360 4.978) 9.933 10.278 ( -0.270 15.183 -5.473) 16.142 10.278 ( -0.270 15.183 5.473) 16.142 10.542 ( 0.863 -6.805 -3.987) 7.934 10.542 ( 0.863 -6.805 3.987) 7.934 11.036 ( -10.150 3.572 -2.346) 11.013 11.036 ( -10.150 3.572 2.346) 11.013 11.367 ( -5.885 2.171 -8.185) 10.312 11.367 ( -5.885 2.171 8.185) 10.312 11.801 ( 1.440 11.303 -8.280) 14.085 11.801 ( 1.440 11.303 8.280) 14.085 12.194 ( 0.178 -9.558 -0.154) 9.561 12.194 ( 0.178 -9.558 0.154) 9.561 12.410 ( 0.052 -24.142 -4.577) 24.572 12.410 ( 0.052 -24.142 4.577) 24.572 12.552 ( 3.137 -7.680 -12.351) 14.879 12.552 ( 3.137 -7.680 12.351) 14.879 12.851 ( 8.307 -2.215 -14.192) 16.593 12.851 ( 8.307 -2.215 14.192) 16.593 13.580 ( -5.664 -2.827 -7.925) 10.142 13.580 ( -5.664 -2.827 7.925) 10.142 14.388 ( 10.479 4.482 -8.204) 14.043 14.388 ( 10.479 4.482 8.204) 14.043 15.238 ( -7.504 0.739 -10.392) 12.839 15.238 ( -7.504 0.739 10.392) 12.839 15.570 ( 0.017 17.357 -7.356) 18.852 15.570 ( 0.017 17.357 7.356) 18.852 15.819 ( -1.688 1.798 -6.233) 6.704 15.819 ( -1.688 1.798 6.233) 6.704 17.159 ( -0.001 -23.560 -3.529) 23.823 17.159 ( -0.001 -23.560 3.529) 23.823 17.219 ( 0.092 -17.751 -1.044) 17.782 17.219 ( 0.092 -17.751 1.044) 17.782 18.581 ( 3.573 3.205 -27.976) 28.384 18.581 ( 3.573 3.205 27.976) 28.384 20.059 ( -12.582 -12.058 -14.337) 22.566 20.059 ( -12.582 -12.058 14.337) 22.566 21.253 ( -9.221 23.341 -2.730) 25.244 21.253 ( -9.221 23.341 2.730) 25.244 21.331 ( -5.216 18.306 -4.721) 19.612 21.331 ( -5.216 18.306 4.721) 19.612 24.017 ( 10.466 -6.978 -10.190) 16.188 24.017 ( 10.466 -6.978 10.190) 16.188 25.012 ( 6.231 -20.965 -6.949) 22.948 25.012 ( 6.231 -20.965 6.949) 22.948 ======================= Grid point 174 (57/72) ======================= q-point: ( 0.40 0.14 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.86e-04 2.86e-04 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 106 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.798 ( 5.051 15.924 -4.739) 17.365 1.798 ( 5.051 15.924 4.739) 17.365 2.019 ( 8.872 11.893 -13.256) 19.896 2.019 ( 8.872 11.893 13.256) 19.896 2.339 ( -3.776 8.828 -4.308) 10.524 2.339 ( -3.776 8.828 4.308) 10.524 2.501 ( -14.044 8.732 -6.807) 17.884 2.501 ( -14.044 8.732 6.807) 17.884 2.972 ( -0.493 8.640 -0.894) 8.700 2.972 ( -0.493 8.640 0.894) 8.700 3.227 ( -0.524 4.113 -1.743) 4.498 3.227 ( -0.524 4.113 1.743) 4.498 3.517 ( 7.759 14.253 -9.005) 18.559 3.517 ( 7.759 14.253 9.005) 18.559 3.605 ( 3.274 11.304 -4.006) 12.431 3.605 ( 3.274 11.304 4.006) 12.431 3.741 ( 2.274 13.033 -8.463) 15.705 3.741 ( 2.274 13.033 8.463) 15.705 3.956 ( -4.701 11.982 -9.867) 16.218 3.956 ( -4.701 11.982 9.867) 16.218 4.494 ( -1.459 3.589 -3.037) 4.923 4.494 ( -1.459 3.589 3.037) 4.923 4.842 ( 0.007 -0.327 -2.757) 2.777 4.842 ( 0.007 -0.327 2.757) 2.777 5.756 ( 5.289 3.517 -1.735) 6.584 5.756 ( 5.289 3.517 1.735) 6.584 5.914 ( -2.292 14.878 -1.892) 15.172 5.914 ( -2.292 14.878 1.892) 15.172 6.112 ( 1.555 38.645 -1.140) 38.693 6.112 ( 1.555 38.645 1.140) 38.693 6.278 ( -4.307 13.509 -1.825) 14.296 6.278 ( -4.307 13.509 1.825) 14.296 7.116 ( 2.888 1.925 -1.662) 3.848 7.116 ( 2.888 1.925 1.662) 3.848 7.353 ( 1.619 -0.458 -0.979) 1.946 7.353 ( 1.619 -0.458 0.979) 1.946 7.659 ( 9.671 -1.191 -0.639) 9.765 7.659 ( 9.671 -1.191 0.639) 9.765 7.869 ( -4.041 3.039 -1.495) 5.273 7.869 ( -4.041 3.039 1.495) 5.273 8.101 ( -5.398 4.547 -1.493) 7.214 8.101 ( -5.398 4.547 1.493) 7.214 8.917 ( 4.468 -0.105 -1.089) 4.600 8.917 ( 4.468 -0.105 1.089) 4.600 9.033 ( 5.727 8.661 -3.393) 10.924 9.033 ( 5.727 8.661 3.393) 10.924 9.272 ( -8.515 2.290 -1.827) 9.005 9.272 ( -8.515 2.290 1.827) 9.005 9.626 ( 2.293 16.427 -3.655) 16.984 9.626 ( 2.293 16.427 3.655) 16.984 9.815 ( -3.132 13.177 -3.788) 14.064 9.815 ( -3.132 13.177 3.788) 14.064 10.258 ( -1.213 10.087 -1.763) 10.312 10.258 ( -1.213 10.087 1.763) 10.312 10.587 ( 2.834 -0.477 -2.250) 3.649 10.587 ( 2.834 -0.477 2.250) 3.649 10.852 ( -6.726 4.398 -1.600) 8.194 10.852 ( -6.726 4.398 1.600) 8.194 11.253 ( -4.018 2.467 -3.476) 5.857 11.253 ( -4.018 2.467 3.476) 5.857 11.830 ( 0.996 10.091 -2.824) 10.526 11.830 ( 0.996 10.091 2.824) 10.526 12.203 ( 0.407 -19.409 -1.595) 19.479 12.203 ( 0.407 -19.409 1.595) 19.479 12.404 ( -0.301 -25.662 -2.274) 25.764 12.404 ( -0.301 -25.662 2.274) 25.764 12.614 ( 2.214 -3.558 -2.368) 4.813 12.614 ( 2.214 -3.558 2.368) 4.813 12.997 ( 5.048 -0.296 -5.210) 7.260 12.997 ( 5.048 -0.296 5.210) 7.260 13.478 ( -3.671 -4.038 -3.760) 6.627 13.478 ( -3.671 -4.038 3.760) 6.627 14.625 ( 11.979 6.793 -9.124) 16.519 14.625 ( 11.979 6.793 9.124) 16.519 15.028 ( -11.814 2.052 -10.628) 16.023 15.028 ( -11.814 2.052 10.628) 16.023 15.588 ( 1.133 15.658 -3.049) 15.993 15.588 ( 1.133 15.658 3.049) 15.993 15.786 ( -1.290 2.431 -2.023) 3.416 15.786 ( -1.290 2.431 2.023) 3.416 17.158 ( -0.043 -24.477 -1.405) 24.517 17.158 ( -0.043 -24.477 1.405) 24.517 17.222 ( 0.090 -17.080 -0.440) 17.086 17.222 ( 0.090 -17.080 0.440) 17.086 18.657 ( 3.103 3.058 -13.637) 14.316 18.657 ( 3.103 3.058 13.637) 14.316 19.803 ( -9.652 -10.809 -10.874) 18.117 19.803 ( -9.652 -10.809 10.874) 18.117 21.110 ( -3.485 28.089 -1.685) 28.354 21.110 ( -3.485 28.089 1.685) 28.354 21.277 ( -1.495 21.444 -1.250) 21.533 21.277 ( -1.495 21.444 1.250) 21.533 24.164 ( 3.913 -9.642 -4.796) 11.458 24.164 ( 3.913 -9.642 4.796) 11.458 25.126 ( 3.894 -23.445 -2.372) 23.884 25.126 ( 3.894 -23.445 2.372) 23.884 ======================= Grid point 180 (58/72) ======================= q-point: ( 0.00 0.21 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.86e-04 2.86e-04 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 63 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.953 ( 0.000 21.420 -6.427) 22.364 1.953 ( 0.000 21.420 6.427) 22.364 2.194 ( 0.000 20.289 -8.610) 22.040 2.194 ( 0.000 20.289 8.610) 22.040 2.668 ( 0.000 9.098 -2.367) 9.400 2.668 ( 0.000 9.098 2.367) 9.400 3.179 ( 0.000 4.615 -0.389) 4.631 3.179 ( 0.000 4.615 0.389) 4.631 3.214 ( 0.000 8.396 -2.928) 8.892 3.214 ( 0.000 8.396 2.928) 8.892 3.317 ( 0.000 6.001 -8.304) 10.246 3.317 ( 0.000 6.001 8.304) 10.246 3.467 ( 0.000 3.115 -3.316) 4.549 3.467 ( 0.000 3.115 3.316) 4.549 3.676 ( 0.000 18.834 -3.262) 19.114 3.676 ( 0.000 18.834 3.262) 19.114 3.924 ( 0.000 18.025 -9.106) 20.194 3.924 ( 0.000 18.025 9.106) 20.194 4.201 ( 0.000 11.363 -10.210) 15.276 4.201 ( 0.000 11.363 10.210) 15.276 4.660 ( 0.000 5.771 -9.803) 11.376 4.660 ( 0.000 5.771 9.803) 11.376 4.885 ( 0.000 1.920 -8.230) 8.451 4.885 ( 0.000 1.920 8.230) 8.451 5.674 ( 0.000 3.019 -0.316) 3.036 5.674 ( 0.000 3.019 0.316) 3.036 5.934 ( 0.000 -4.163 -2.166) 4.693 5.934 ( 0.000 -4.163 2.166) 4.693 6.696 ( 0.000 19.196 -1.149) 19.230 6.696 ( 0.000 19.196 1.149) 19.230 6.855 ( 0.000 16.680 -0.809) 16.699 6.855 ( 0.000 16.680 0.809) 16.699 7.055 ( 0.000 13.824 -2.964) 14.138 7.055 ( 0.000 13.824 2.964) 14.138 7.363 ( 0.000 7.633 -3.926) 8.583 7.363 ( 0.000 7.633 3.926) 8.583 7.505 ( 0.000 11.032 -2.836) 11.391 7.505 ( 0.000 11.032 2.836) 11.391 8.182 ( 0.000 8.929 -0.219) 8.932 8.182 ( 0.000 8.929 0.219) 8.932 8.309 ( 0.000 8.412 -5.828) 10.233 8.309 ( 0.000 8.412 5.828) 10.233 8.899 ( 0.000 2.876 -3.385) 4.442 8.899 ( 0.000 2.876 3.385) 4.442 9.080 ( 0.000 15.720 -5.595) 16.686 9.080 ( 0.000 15.720 5.595) 16.686 9.590 ( 0.000 16.661 -1.307) 16.712 9.590 ( 0.000 16.661 1.307) 16.712 9.792 ( 0.000 3.273 -0.447) 3.303 9.792 ( 0.000 3.273 0.447) 3.303 10.102 ( 0.000 9.289 -4.446) 10.298 10.102 ( 0.000 9.289 4.446) 10.298 10.395 ( 0.000 0.880 -0.978) 1.316 10.395 ( 0.000 0.880 0.978) 1.316 10.579 ( 0.000 7.438 -5.594) 9.307 10.579 ( 0.000 7.438 5.594) 9.307 11.078 ( 0.000 -14.810 -5.189) 15.693 11.078 ( 0.000 -14.810 5.189) 15.693 11.210 ( 0.000 -14.570 -9.757) 17.535 11.210 ( 0.000 -14.570 9.757) 17.535 11.764 ( 0.000 -16.898 -4.685) 17.535 11.764 ( 0.000 -16.898 4.685) 17.535 12.102 ( 0.000 8.158 -0.262) 8.162 12.102 ( 0.000 8.158 0.262) 8.162 12.297 ( 0.000 -2.653 -10.151) 10.492 12.297 ( 0.000 -2.653 10.151) 10.492 12.396 ( 0.000 3.211 -22.363) 22.592 12.396 ( 0.000 3.211 22.363) 22.592 12.877 ( 0.000 11.596 -33.663) 35.604 12.877 ( 0.000 11.596 33.663) 35.604 13.590 ( 0.000 -3.304 -8.350) 8.980 13.590 ( 0.000 -3.304 8.350) 8.980 14.350 ( 0.000 4.617 -8.142) 9.360 14.350 ( 0.000 4.617 8.142) 9.360 15.251 ( 0.000 -4.577 -12.913) 13.700 15.251 ( 0.000 -4.577 12.913) 13.700 15.750 ( 0.000 -2.084 -1.607) 2.632 15.750 ( 0.000 -2.084 1.607) 2.632 15.805 ( 0.000 -5.706 -5.916) 8.219 15.805 ( 0.000 -5.706 5.916) 8.219 16.903 ( 0.000 -1.764 -6.046) 6.298 16.903 ( 0.000 -1.764 6.046) 6.298 16.995 ( 0.000 -4.664 -3.401) 5.772 16.995 ( 0.000 -4.664 3.401) 5.772 18.549 ( 0.000 -1.933 -33.215) 33.272 18.549 ( 0.000 -1.933 33.215) 33.272 19.850 ( 0.000 -21.472 -17.814) 27.900 19.850 ( 0.000 -21.472 17.814) 27.900 21.610 ( 0.000 7.007 -0.820) 7.055 21.610 ( 0.000 7.007 0.820) 7.055 21.767 ( 0.000 19.824 -0.552) 19.832 21.767 ( 0.000 19.824 0.552) 19.832 23.840 ( 0.000 -0.766 -3.383) 3.469 23.840 ( 0.000 -0.766 3.383) 3.469 24.547 ( 0.000 -20.851 -6.276) 21.775 24.547 ( 0.000 -20.851 6.276) 21.775 ======================= Grid point 182 (59/72) ======================= q-point: ( 0.20 0.21 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.86e-04 2.86e-04 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 105 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.013 ( 5.873 19.996 -5.041) 21.442 2.013 ( 5.873 19.996 5.041) 21.442 2.208 ( 1.516 18.235 -6.658) 19.471 2.208 ( 1.516 18.235 6.658) 19.471 2.634 ( -3.323 10.145 -1.352) 10.761 2.634 ( -3.323 10.145 1.352) 10.761 2.961 ( -14.806 7.325 -5.565) 17.431 2.961 ( -14.806 7.325 5.565) 17.431 3.202 ( -3.165 10.655 -4.301) 11.919 3.202 ( -3.165 10.655 4.301) 11.919 3.326 ( -0.812 3.700 -0.778) 3.867 3.326 ( -0.812 3.700 0.778) 3.867 3.538 ( 8.099 4.668 -4.155) 10.230 3.538 ( 8.099 4.668 4.155) 10.230 3.796 ( 7.142 17.009 -3.763) 18.828 3.796 ( 7.142 17.009 3.763) 18.828 3.952 ( 2.931 16.178 -8.844) 18.669 3.952 ( 2.931 16.178 8.844) 18.669 4.207 ( 0.696 11.339 -11.423) 16.110 4.207 ( 0.696 11.339 11.423) 16.110 4.655 ( -0.944 6.862 -10.109) 12.254 4.655 ( -0.944 6.862 10.109) 12.254 4.863 ( -1.687 1.875 -7.149) 7.581 4.863 ( -1.687 1.875 7.149) 7.581 5.704 ( 2.667 1.564 -0.684) 3.167 5.704 ( 2.667 1.564 0.684) 3.167 5.936 ( 0.177 -4.357 -1.799) 4.717 5.936 ( 0.177 -4.357 1.799) 4.717 6.706 ( 0.134 20.113 -0.172) 20.114 6.706 ( 0.134 20.113 0.172) 20.114 6.863 ( 0.745 23.034 -2.156) 23.147 6.863 ( 0.745 23.034 2.156) 23.147 7.084 ( 3.494 8.226 -2.809) 9.369 7.084 ( 3.494 8.226 2.809) 9.369 7.374 ( 0.321 7.501 -5.107) 9.080 7.374 ( 0.321 7.501 5.107) 9.080 7.551 ( 5.360 8.298 -4.535) 10.869 7.551 ( 5.360 8.298 4.535) 10.869 8.124 ( -5.645 9.553 -1.856) 11.250 8.124 ( -5.645 9.553 1.856) 11.250 8.314 ( 0.213 10.870 -5.613) 12.235 8.314 ( 0.213 10.870 5.613) 12.235 8.910 ( 0.575 3.022 -2.070) 3.709 8.910 ( 0.575 3.022 2.070) 3.709 9.122 ( 4.377 14.516 -3.058) 15.467 9.122 ( 4.377 14.516 3.058) 15.467 9.506 ( -6.634 9.324 -1.942) 11.607 9.506 ( -6.634 9.324 1.942) 11.607 9.867 ( 5.639 11.271 -2.966) 12.947 9.867 ( 5.639 11.271 2.966) 12.947 10.083 ( -1.483 9.901 -3.896) 10.743 10.083 ( -1.483 9.901 3.896) 10.743 10.343 ( -4.585 0.718 -0.929) 4.733 10.343 ( -4.585 0.718 0.929) 4.733 10.632 ( 4.775 6.337 -5.078) 9.420 10.632 ( 4.775 6.337 5.078) 9.420 11.019 ( -6.291 -8.175 -3.315) 10.835 11.019 ( -6.291 -8.175 3.315) 10.835 11.165 ( -3.578 -18.139 -7.932) 20.118 11.165 ( -3.578 -18.139 7.932) 20.118 11.762 ( -0.187 -17.447 -5.229) 18.215 11.762 ( -0.187 -17.447 5.229) 18.215 11.978 ( -9.042 -0.753 -8.869) 12.688 11.978 ( -9.042 -0.753 8.869) 12.688 12.315 ( 0.707 11.617 -5.648) 12.937 12.315 ( 0.707 11.617 5.648) 12.937 12.464 ( 5.441 -3.127 -11.279) 12.907 12.464 ( 5.441 -3.127 11.279) 12.907 12.959 ( 7.074 9.373 -24.771) 27.414 12.959 ( 7.074 9.373 24.771) 27.414 13.518 ( -6.188 -3.055 -8.674) 11.084 13.518 ( -6.188 -3.055 8.674) 11.084 14.469 ( 11.056 4.304 -9.822) 15.402 14.469 ( 11.056 4.304 9.822) 15.402 15.201 ( -5.604 -3.578 -13.326) 14.893 15.201 ( -5.604 -3.578 13.326) 14.893 15.740 ( -0.754 -1.612 -2.491) 3.061 15.740 ( -0.754 -1.612 2.491) 3.061 15.793 ( -1.081 -5.985 -5.651) 8.302 15.793 ( -1.081 -5.985 5.651) 8.302 16.897 ( -0.578 -1.970 -4.367) 4.826 16.897 ( -0.578 -1.970 4.367) 4.826 16.998 ( 0.301 -4.709 -2.418) 5.303 16.998 ( 0.301 -4.709 2.418) 5.303 18.581 ( 3.046 -2.329 -29.877) 30.122 18.581 ( 3.046 -2.329 29.877) 30.122 19.730 ( -10.891 -19.740 -19.628) 29.892 19.730 ( -10.891 -19.740 19.628) 29.892 21.582 ( -2.006 11.335 -3.278) 11.969 21.582 ( -2.006 11.335 3.278) 11.969 21.736 ( -2.723 19.855 -1.518) 20.099 21.736 ( -2.723 19.855 1.518) 20.099 23.905 ( 5.167 -4.382 -6.092) 9.111 23.905 ( 5.167 -4.382 6.092) 9.111 24.592 ( 4.124 -21.462 -5.587) 22.557 24.592 ( 4.124 -21.462 5.587) 22.557 ======================= Grid point 184 (60/72) ======================= q-point: ( 0.40 0.21 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.86e-04 2.86e-04 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 105 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.127 ( 3.463 17.220 -2.475) 17.738 2.127 ( 3.463 17.220 2.475) 17.738 2.281 ( 7.065 14.234 -9.780) 18.659 2.281 ( 7.065 14.234 9.780) 18.659 2.538 ( -7.227 10.948 -5.480) 14.217 2.538 ( -7.227 10.948 5.480) 14.217 2.702 ( -8.430 12.213 -3.363) 15.216 2.702 ( -8.430 12.213 3.363) 15.216 3.169 ( -0.494 11.102 -1.265) 11.185 3.169 ( -0.494 11.102 1.265) 11.185 3.304 ( -0.844 4.000 -0.869) 4.179 3.304 ( -0.844 4.000 0.869) 4.179 3.705 ( 8.078 6.499 -3.333) 10.890 3.705 ( 8.078 6.499 3.333) 10.890 3.826 ( -3.603 10.211 -1.103) 10.883 3.826 ( -3.603 10.211 1.103) 10.883 4.051 ( 5.356 16.474 -8.090) 19.119 4.051 ( 5.356 16.474 8.090) 19.119 4.218 ( -0.132 13.769 -8.951) 16.423 4.218 ( -0.132 13.769 8.951) 16.423 4.617 ( -2.087 8.877 -5.153) 10.475 4.617 ( -2.087 8.877 5.153) 10.475 4.844 ( -0.223 0.967 -2.868) 3.035 4.844 ( -0.223 0.967 2.868) 3.035 5.752 ( 1.706 -1.008 -0.561) 2.059 5.752 ( 1.706 -1.008 0.561) 2.059 5.940 ( 0.158 -4.690 -0.672) 4.740 5.940 ( 0.158 -4.690 0.672) 4.740 6.691 ( -1.038 21.124 -0.521) 21.156 6.691 ( -1.038 21.124 0.521) 21.156 6.874 ( 0.213 31.271 -0.938) 31.286 6.874 ( 0.213 31.271 0.938) 31.286 7.177 ( 4.387 4.013 -1.453) 6.121 7.177 ( 4.387 4.013 1.453) 6.121 7.362 ( -1.176 3.916 -2.797) 4.953 7.362 ( -1.176 3.916 2.797) 4.953 7.705 ( 9.178 5.933 -3.917) 11.609 7.705 ( 9.178 5.933 3.917) 11.609 7.974 ( -8.898 6.773 -2.700) 11.504 7.974 ( -8.898 6.773 2.700) 11.504 8.320 ( 0.362 18.460 -2.759) 18.668 8.320 ( 0.362 18.460 2.759) 18.668 8.912 ( -0.145 3.000 -0.551) 3.054 8.912 ( -0.145 3.000 0.551) 3.054 9.230 ( 5.720 9.995 -0.883) 11.550 9.230 ( 5.720 9.995 0.883) 11.550 9.379 ( -5.722 8.344 -1.017) 10.168 9.379 ( -5.722 8.344 1.017) 10.168 9.961 ( 3.559 15.980 -2.037) 16.497 9.961 ( 3.559 15.980 2.037) 16.497 10.048 ( -2.465 8.855 -4.407) 10.193 10.048 ( -2.465 8.855 4.407) 10.193 10.275 ( -1.264 2.962 -2.034) 3.809 10.275 ( -1.264 2.962 2.034) 3.809 10.729 ( 4.281 4.059 -4.511) 7.427 10.729 ( 4.281 4.059 4.511) 7.427 10.875 ( -6.332 -3.564 -0.436) 7.279 10.875 ( -6.332 -3.564 0.436) 7.279 11.100 ( -2.497 -17.458 -3.842) 18.050 11.100 ( -2.497 -17.458 3.842) 18.050 11.767 ( 1.163 -16.449 -6.206) 17.619 11.767 ( 1.163 -16.449 6.206) 17.619 11.833 ( -5.216 -8.670 -7.433) 12.555 11.833 ( -5.216 -8.670 7.433) 12.555 12.322 ( 0.129 13.975 -2.265) 14.158 12.322 ( 0.129 13.975 2.265) 14.158 12.554 ( 2.924 -2.849 -4.232) 5.881 12.554 ( 2.924 -2.849 4.232) 5.881 13.091 ( 5.060 7.505 -10.280) 13.697 13.091 ( 5.060 7.505 10.280) 13.697 13.400 ( -4.683 -3.422 -5.615) 8.073 13.400 ( -4.683 -3.422 5.615) 8.073 14.720 ( 13.133 3.735 -11.079) 17.583 14.720 ( 13.133 3.735 11.079) 17.583 15.032 ( -10.846 -0.983 -12.384) 16.491 15.032 ( -10.846 -0.983 12.384) 16.491 15.735 ( 0.354 -2.315 -2.433) 3.377 15.735 ( 0.354 -2.315 2.433) 3.377 15.770 ( -1.075 -5.542 -3.557) 6.672 15.770 ( -1.075 -5.542 3.557) 6.672 16.886 ( -0.365 -2.248 -1.405) 2.676 16.886 ( -0.365 -2.248 1.405) 2.676 17.003 ( 0.178 -4.832 -0.798) 4.900 17.003 ( 0.178 -4.832 0.798) 4.900 18.645 ( 2.605 -3.182 -14.438) 15.013 18.645 ( 2.605 -3.182 14.438) 15.013 19.526 ( -7.272 -16.311 -11.600) 21.295 19.526 ( -7.272 -16.311 11.600) 21.295 21.560 ( -0.212 17.200 -2.465) 17.377 21.560 ( -0.212 17.200 2.465) 17.377 21.683 ( -2.013 18.739 -1.571) 18.912 21.683 ( -2.013 18.739 1.571) 18.912 23.985 ( 2.314 -8.357 -3.165) 9.231 23.985 ( 2.314 -8.357 3.165) 9.231 24.668 ( 2.676 -22.635 -2.231) 22.902 24.668 ( 2.676 -22.635 2.231) 22.902 ======================= Grid point 190 (61/72) ======================= q-point: ( 0.00 0.29 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.86e-04 2.86e-04 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 66 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.367 ( 0.000 20.265 -4.089) 20.674 2.367 ( 0.000 20.265 4.089) 20.674 2.524 ( 0.000 12.832 -4.524) 13.606 2.524 ( 0.000 12.832 4.524) 13.606 2.871 ( 0.000 11.866 -3.214) 12.293 2.871 ( 0.000 11.866 3.214) 12.293 3.257 ( 0.000 3.157 -0.961) 3.300 3.257 ( 0.000 3.157 0.961) 3.300 3.312 ( 0.000 0.926 -7.995) 8.049 3.312 ( 0.000 0.926 7.995) 8.049 3.428 ( 0.000 6.853 -2.467) 7.284 3.428 ( 0.000 6.853 2.467) 7.284 3.560 ( 0.000 5.760 -0.112) 5.761 3.560 ( 0.000 5.760 0.112) 5.761 3.971 ( 0.000 11.974 -6.867) 13.804 3.971 ( 0.000 11.974 6.867) 13.804 4.225 ( 0.000 9.254 -1.269) 9.341 4.225 ( 0.000 9.254 1.269) 9.341 4.418 ( 0.000 12.293 -17.365) 21.276 4.418 ( 0.000 12.293 17.365) 21.276 4.805 ( 0.000 9.404 -3.600) 10.069 4.805 ( 0.000 9.404 3.600) 10.069 4.950 ( 0.000 4.372 -6.056) 7.469 4.950 ( 0.000 4.372 6.056) 7.469 5.734 ( 0.000 3.529 -2.718) 4.455 5.734 ( 0.000 3.529 2.718) 4.455 5.857 ( 0.000 -2.882 -2.723) 3.965 5.857 ( 0.000 -2.882 2.723) 3.965 6.865 ( 0.000 4.079 -2.889) 4.999 6.865 ( 0.000 4.079 2.889) 4.999 7.041 ( 0.000 6.633 -0.876) 6.690 7.041 ( 0.000 6.633 0.876) 6.690 7.349 ( 0.000 10.791 -5.445) 12.086 7.349 ( 0.000 10.791 5.445) 12.086 7.561 ( 0.000 11.292 -3.723) 11.889 7.561 ( 0.000 11.292 3.723) 11.889 7.788 ( 0.000 15.619 -4.699) 16.311 7.788 ( 0.000 15.619 4.699) 16.311 8.364 ( 0.000 8.649 -7.879) 11.700 8.364 ( 0.000 8.649 7.879) 11.700 8.510 ( 0.000 11.462 -5.307) 12.631 8.510 ( 0.000 11.462 5.307) 12.631 9.023 ( 0.000 9.804 -1.927) 9.992 9.023 ( 0.000 9.804 1.927) 9.992 9.393 ( 0.000 13.919 -4.755) 14.709 9.393 ( 0.000 13.919 4.755) 14.709 9.822 ( 0.000 -0.283 -3.375) 3.387 9.822 ( 0.000 -0.283 3.375) 3.387 9.920 ( 0.000 9.715 -1.823) 9.885 9.920 ( 0.000 9.715 1.823) 9.885 10.177 ( 0.000 4.802 -1.419) 5.008 10.177 ( 0.000 4.802 1.419) 5.008 10.428 ( 0.000 -14.637 -5.853) 15.764 10.428 ( 0.000 -14.637 5.853) 15.764 10.598 ( 0.000 -1.784 -0.696) 1.915 10.598 ( 0.000 -1.784 0.696) 1.915 10.733 ( 0.000 2.669 -3.707) 4.568 10.733 ( 0.000 2.669 3.707) 4.568 11.085 ( 0.000 -2.871 -11.717) 12.064 11.085 ( 0.000 -2.871 11.717) 12.064 11.579 ( 0.000 0.375 -2.836) 2.861 11.579 ( 0.000 0.375 2.836) 2.861 12.109 ( 0.000 -12.359 -19.058) 22.715 12.109 ( 0.000 -12.359 19.058) 22.715 12.295 ( 0.000 7.939 -1.750) 8.129 12.295 ( 0.000 7.939 1.750) 8.129 12.596 ( 0.000 11.638 -6.942) 13.551 12.596 ( 0.000 11.638 6.942) 13.551 13.110 ( 0.000 11.877 -32.136) 34.260 13.110 ( 0.000 11.877 32.136) 34.260 13.527 ( 0.000 -3.187 -6.560) 7.293 13.527 ( 0.000 -3.187 6.560) 7.293 14.460 ( 0.000 6.830 -4.707) 8.295 14.460 ( 0.000 6.830 4.707) 8.295 15.163 ( 0.000 -3.834 -14.194) 14.702 15.163 ( 0.000 -3.834 14.194) 14.702 15.551 ( 0.000 -14.016 -8.907) 16.606 15.551 ( 0.000 -14.016 8.907) 16.606 15.635 ( 0.000 -11.666 -0.805) 11.694 15.635 ( 0.000 -11.666 0.805) 11.694 17.011 ( 0.000 8.933 -10.412) 13.719 17.011 ( 0.000 8.933 10.412) 13.719 17.014 ( 0.000 5.645 -5.720) 8.036 17.014 ( 0.000 5.645 5.720) 8.037 18.501 ( 0.000 -2.264 -29.452) 29.539 18.501 ( 0.000 -2.264 29.452) 29.539 19.425 ( 0.000 -21.264 -21.789) 30.445 19.425 ( 0.000 -21.264 21.789) 30.445 21.690 ( 0.000 1.590 -1.875) 2.458 21.690 ( 0.000 1.590 1.875) 2.458 22.064 ( 0.000 9.980 -0.810) 10.013 22.064 ( 0.000 9.980 0.810) 10.013 23.834 ( 0.000 -0.240 -1.150) 1.174 23.834 ( 0.000 -0.240 1.150) 1.174 24.167 ( 0.000 -17.469 -3.948) 17.910 24.167 ( 0.000 -17.469 3.948) 17.910 ======================= Grid point 192 (62/72) ======================= q-point: ( 0.20 0.29 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.86e-04 2.86e-04 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 106 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.401 ( 3.264 19.188 -4.172) 19.905 2.401 ( 3.264 19.188 4.172) 19.905 2.511 ( -0.927 12.309 -3.040) 12.713 2.511 ( -0.927 12.309 3.040) 12.713 2.838 ( -3.320 10.578 -2.996) 11.484 2.838 ( -3.320 10.578 2.996) 11.484 3.104 ( -9.597 7.206 -5.429) 13.172 3.104 ( -9.597 7.206 5.429) 13.172 3.376 ( 0.875 2.754 -1.181) 3.122 3.376 ( 0.875 2.754 1.181) 3.122 3.402 ( -1.353 8.065 -1.666) 8.346 3.402 ( -1.353 8.065 1.666) 8.346 3.624 ( 6.860 4.321 -3.493) 8.827 3.624 ( 6.860 4.321 3.493) 8.827 4.059 ( 4.620 10.510 -3.196) 11.917 4.059 ( 4.620 10.510 3.196) 11.917 4.196 ( -0.490 6.503 -3.011) 7.183 4.196 ( -0.490 6.503 3.011) 7.183 4.437 ( 1.383 12.288 -16.676) 20.760 4.437 ( 1.383 12.288 16.676) 20.760 4.807 ( 0.283 9.066 -7.071) 11.501 4.807 ( 0.283 9.066 7.071) 11.501 4.944 ( -0.793 6.337 -4.608) 7.875 4.944 ( -0.793 6.337 4.608) 7.875 5.734 ( 0.091 1.834 -2.395) 3.018 5.734 ( 0.091 1.834 2.395) 3.018 5.855 ( -0.194 -2.997 -2.111) 3.671 5.855 ( -0.194 -2.997 2.111) 3.671 6.908 ( 3.838 5.264 -2.014) 6.819 6.908 ( 3.838 5.264 2.014) 6.819 7.100 ( 5.511 6.959 -3.874) 9.686 7.100 ( 5.511 6.959 3.874) 9.686 7.297 ( -4.141 8.856 -7.778) 12.493 7.297 ( -4.141 8.856 7.778) 12.493 7.597 ( 2.584 12.180 -4.674) 13.300 7.597 ( 2.584 12.180 4.674) 13.300 7.798 ( 1.531 15.552 -6.673) 16.992 7.798 ( 1.531 15.552 6.673) 16.992 8.284 ( -6.920 7.326 -8.370) 13.100 8.284 ( -6.920 7.326 8.370) 13.100 8.592 ( 6.705 14.859 -5.305) 17.143 8.592 ( 6.705 14.859 5.305) 17.143 9.033 ( 0.623 9.346 -1.120) 9.434 9.033 ( 0.623 9.346 1.120) 9.434 9.405 ( 1.442 12.533 -3.061) 12.982 9.405 ( 1.442 12.533 3.061) 12.982 9.690 ( -8.562 8.040 -4.329) 12.518 9.690 ( -8.562 8.040 4.329) 12.518 9.977 ( 1.748 -1.714 -4.174) 4.839 9.977 ( 1.748 -1.714 4.174) 4.839 10.235 ( 5.582 6.706 -4.337) 9.743 10.235 ( 5.582 6.706 4.337) 9.743 10.416 ( -1.170 -11.303 -5.598) 12.667 10.416 ( -1.170 -11.303 5.598) 12.667 10.623 ( 0.962 -0.852 -3.124) 3.378 10.623 ( 0.962 -0.852 3.124) 3.378 10.677 ( -3.981 -2.203 -2.445) 5.165 10.677 ( -3.981 -2.203 2.445) 5.165 11.043 ( -4.223 0.678 -10.444) 11.286 11.043 ( -4.223 0.678 10.444) 11.286 11.567 ( -0.372 -1.646 -0.518) 1.765 11.567 ( -0.372 -1.646 0.518) 1.765 11.964 ( -10.572 -4.003 -12.766) 17.052 11.964 ( -10.572 -4.003 12.766) 17.052 12.411 ( 7.575 1.249 -3.850) 8.589 12.411 ( 7.575 1.249 3.850) 8.589 12.588 ( -0.679 11.029 -4.531) 11.943 12.588 ( -0.679 11.029 4.531) 11.943 13.155 ( 4.177 10.347 -27.309) 29.501 13.155 ( 4.177 10.347 27.309) 29.501 13.474 ( -4.783 -1.498 -9.879) 11.078 13.474 ( -4.783 -1.498 9.879) 11.078 14.565 ( 9.821 5.710 -7.304) 13.505 14.565 ( 9.821 5.710 7.304) 13.505 15.131 ( -3.568 -2.910 -13.745) 14.495 15.131 ( -3.568 -2.910 13.745) 14.495 15.551 ( 0.005 -13.794 -8.124) 16.009 15.551 ( 0.005 -13.794 8.124) 16.009 15.613 ( -1.884 -11.965 -2.152) 12.302 15.613 ( -1.884 -11.965 2.152) 12.302 17.003 ( -0.588 9.035 -4.749) 10.224 17.003 ( -0.588 9.035 4.749) 10.224 17.015 ( -0.018 5.416 -3.386) 6.387 17.015 ( -0.018 5.416 3.386) 6.387 18.525 ( 2.277 -2.664 -26.486) 26.717 18.525 ( 2.277 -2.664 26.486) 26.717 19.344 ( -7.344 -19.232 -21.214) 29.561 19.344 ( -7.344 -19.232 21.214) 29.561 21.716 ( 2.557 3.034 -2.417) 4.646 21.716 ( 2.557 3.034 2.417) 4.646 22.029 ( -3.384 9.609 -1.429) 10.287 22.029 ( -3.384 9.609 1.429) 10.287 23.841 ( 0.572 -2.586 -2.532) 3.664 23.841 ( 0.572 -2.586 2.532) 3.664 24.211 ( 3.835 -17.070 -3.349) 17.813 24.211 ( 3.835 -17.070 3.349) 17.813 ======================= Grid point 194 (63/72) ======================= q-point: ( 0.40 0.29 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.86e-04 2.86e-04 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 106 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.449 ( 0.340 15.682 -3.389) 16.048 2.449 ( 0.340 15.682 3.389) 16.048 2.534 ( 4.064 11.372 -5.603) 13.313 2.534 ( 4.064 11.372 5.603) 13.313 2.747 ( -5.340 10.442 -4.169) 12.447 2.747 ( -5.340 10.442 4.169) 12.447 2.957 ( -4.221 12.983 -2.313) 13.847 2.957 ( -4.221 12.983 2.313) 13.847 3.375 ( 0.268 7.315 -2.519) 7.741 3.375 ( 0.268 7.315 2.519) 7.741 3.387 ( -0.774 6.567 -1.608) 6.806 3.387 ( -0.774 6.567 1.608) 6.806 3.784 ( 8.268 2.170 -2.157) 8.816 3.784 ( 8.268 2.170 2.157) 8.816 3.998 ( -6.876 6.683 -0.383) 9.597 3.998 ( -6.876 6.683 0.383) 9.597 4.298 ( 6.242 8.640 -2.504) 10.949 4.298 ( 6.242 8.640 2.504) 10.949 4.446 ( -0.836 8.644 -10.790) 13.851 4.446 ( -0.836 8.644 10.790) 13.851 4.817 ( 0.617 11.175 -7.214) 13.316 4.817 ( 0.617 11.175 7.214) 13.316 4.918 ( -1.388 7.546 -3.232) 8.325 4.918 ( -1.388 7.546 3.232) 8.325 5.737 ( 0.188 -0.347 -1.102) 1.170 5.737 ( 0.188 -0.347 1.102) 1.170 5.851 ( -0.148 -3.537 -0.732) 3.615 5.851 ( -0.148 -3.537 0.732) 3.615 6.981 ( 2.793 10.363 -2.235) 10.963 6.981 ( 2.793 10.363 2.235) 10.963 7.165 ( -1.047 3.845 -3.964) 5.621 7.165 ( -1.047 3.845 3.964) 5.621 7.279 ( 3.619 6.489 -3.520) 8.221 7.279 ( 3.619 6.489 3.520) 8.221 7.609 ( -1.332 15.858 -2.499) 16.109 7.609 ( -1.332 15.858 2.499) 16.109 7.877 ( 6.145 11.273 -8.360) 15.321 7.877 ( 6.145 11.273 8.360) 15.321 8.125 ( -8.276 8.790 -7.904) 14.430 8.125 ( -8.276 8.790 7.904) 14.430 8.719 ( 4.983 19.086 -2.710) 19.911 8.719 ( 4.983 19.086 2.710) 19.911 9.028 ( -1.058 7.868 -0.197) 7.941 9.028 ( -1.058 7.868 0.197) 7.941 9.435 ( 0.671 10.287 -0.608) 10.327 9.435 ( 0.671 10.287 0.608) 10.327 9.570 ( -2.602 10.747 -3.246) 11.524 9.570 ( -2.602 10.747 3.246) 11.524 9.988 ( 0.070 -3.249 -4.845) 5.834 9.988 ( 0.070 -3.249 4.845) 5.834 10.325 ( 1.161 4.851 -3.790) 6.265 10.325 ( 1.161 4.851 3.790) 6.265 10.404 ( 1.473 -5.748 -1.962) 6.250 10.404 ( 1.473 -5.748 1.962) 6.250 10.546 ( -4.313 -15.340 -3.261) 16.265 10.546 ( -4.313 -15.340 3.261) 16.265 10.703 ( 2.929 7.007 -3.207) 8.244 10.703 ( 2.929 7.007 3.207) 8.244 10.944 ( -4.641 2.909 -5.284) 7.611 10.944 ( -4.641 2.909 5.284) 7.611 11.600 ( 3.984 -2.955 -4.469) 6.676 11.600 ( 3.984 -2.955 4.469) 6.676 11.767 ( -8.769 -1.181 -8.887) 12.541 11.767 ( -8.769 -1.181 8.887) 12.541 12.525 ( 3.562 0.469 -3.248) 4.844 12.525 ( 3.562 0.469 3.248) 4.844 12.575 ( -0.608 9.411 -2.555) 9.771 12.575 ( -0.608 9.411 2.555) 9.771 13.249 ( 4.909 8.008 -18.155) 20.441 13.249 ( 4.909 8.008 18.155) 20.441 13.371 ( -5.173 0.961 -12.692) 13.739 13.371 ( -5.173 0.961 12.692) 13.739 14.790 ( 12.087 3.740 -9.993) 16.123 14.790 ( 12.087 3.740 9.993) 16.123 15.012 ( -8.754 -0.501 -12.091) 14.936 15.012 ( -8.754 -0.501 12.091) 14.936 15.553 ( 0.191 -13.251 -5.043) 14.179 15.553 ( 0.191 -13.251 5.043) 14.179 15.579 ( -1.232 -12.906 -3.021) 13.312 15.579 ( -1.232 -12.906 3.021) 13.312 16.993 ( -0.328 9.726 -1.774) 9.891 16.993 ( -0.328 9.726 1.774) 9.891 17.014 ( -0.059 4.521 -1.378) 4.726 17.014 ( -0.059 4.521 1.378) 4.726 18.572 ( 1.916 -3.495 -12.765) 13.373 18.572 ( 1.916 -3.495 12.765) 13.373 19.207 ( -4.891 -15.906 -11.242) 20.082 19.207 ( -4.891 -15.906 11.242) 20.082 21.776 ( 2.898 5.653 -2.049) 6.675 21.776 ( 2.898 5.653 2.049) 6.675 21.954 ( -3.393 8.506 -1.615) 9.299 21.954 ( -3.393 8.506 1.615) 9.299 23.851 ( 0.360 -5.355 -1.288) 5.519 23.851 ( 0.360 -5.355 1.288) 5.519 24.278 ( 2.230 -17.134 -1.268) 17.325 24.278 ( 2.230 -17.134 1.268) 17.325 ======================= Grid point 200 (64/72) ======================= q-point: ( 0.00 0.36 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.86e-04 2.86e-04 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 63 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.651 ( 0.000 6.609 -1.281) 6.732 2.651 ( 0.000 6.609 1.281) 6.732 2.764 ( 0.000 14.798 -1.256) 14.852 2.764 ( 0.000 14.798 1.256) 14.852 3.094 ( 0.000 9.561 -3.311) 10.118 3.094 ( 0.000 9.561 3.311) 10.118 3.270 ( 0.000 -2.399 -4.664) 5.245 3.270 ( 0.000 -2.399 4.664) 5.245 3.327 ( 0.000 2.746 -3.529) 4.472 3.327 ( 0.000 2.746 3.529) 4.472 3.554 ( 0.000 5.601 -1.193) 5.726 3.554 ( 0.000 5.601 1.193) 5.726 3.667 ( 0.000 4.613 -0.406) 4.631 3.667 ( 0.000 4.613 0.406) 4.631 4.102 ( 0.000 0.618 -7.432) 7.458 4.102 ( 0.000 0.618 7.432) 7.458 4.354 ( 0.000 7.018 -1.805) 7.247 4.354 ( 0.000 7.018 1.805) 7.247 4.621 ( 0.000 7.605 -9.825) 12.425 4.621 ( 0.000 7.605 9.825) 12.425 5.013 ( 0.000 9.366 -9.441) 13.298 5.013 ( 0.000 9.366 9.441) 13.298 5.038 ( 0.000 5.818 -8.532) 10.326 5.038 ( 0.000 5.818 8.532) 10.326 5.799 ( 0.000 2.508 -6.730) 7.182 5.799 ( 0.000 2.508 6.730) 7.182 5.852 ( 0.000 2.758 -0.466) 2.797 5.852 ( 0.000 2.758 0.466) 2.797 6.971 ( 0.000 7.503 -4.278) 8.637 6.971 ( 0.000 7.503 4.278) 8.637 7.153 ( 0.000 5.395 -0.584) 5.426 7.153 ( 0.000 5.395 0.584) 5.426 7.492 ( 0.000 4.927 -10.583) 11.674 7.492 ( 0.000 4.927 10.583) 11.674 7.755 ( 0.000 8.104 -6.666) 10.493 7.755 ( 0.000 8.104 6.666) 10.493 8.046 ( 0.000 10.856 -13.845) 17.593 8.046 ( 0.000 10.856 13.845) 17.593 8.490 ( 0.000 3.676 -15.025) 15.468 8.490 ( 0.000 3.676 15.025) 15.468 8.741 ( 0.000 12.566 -7.035) 14.401 8.741 ( 0.000 12.566 7.035) 14.401 9.220 ( 0.000 8.438 -0.855) 8.482 9.220 ( 0.000 8.438 0.855) 8.482 9.511 ( 0.000 -1.556 -5.881) 6.083 9.511 ( 0.000 -1.556 5.881) 6.083 9.793 ( 0.000 -8.121 -3.947) 9.030 9.793 ( 0.000 -8.121 3.947) 9.030 9.839 ( 0.000 -13.274 -0.196) 13.275 9.839 ( 0.000 -13.274 0.196) 13.275 9.951 ( 0.000 -9.545 -0.923) 9.589 9.951 ( 0.000 -9.545 0.923) 9.589 10.476 ( 0.000 11.507 -1.425) 11.595 10.476 ( 0.000 11.507 1.425) 11.595 10.707 ( 0.000 7.603 -4.264) 8.717 10.707 ( 0.000 7.603 4.264) 8.717 10.920 ( 0.000 13.777 -0.831) 13.802 10.920 ( 0.000 13.777 0.831) 13.802 11.094 ( 0.000 1.925 -22.423) 22.505 11.094 ( 0.000 1.925 22.423) 22.505 11.759 ( 0.000 15.950 -3.944) 16.430 11.759 ( 0.000 15.950 3.944) 16.430 11.843 ( 0.000 -13.208 -13.850) 19.138 11.843 ( 0.000 -13.208 13.850) 19.138 12.416 ( 0.000 4.700 -4.887) 6.780 12.416 ( 0.000 4.700 4.887) 6.780 12.758 ( 0.000 4.870 -0.770) 4.931 12.758 ( 0.000 4.870 0.770) 4.931 13.317 ( 0.000 8.457 -23.007) 24.512 13.317 ( 0.000 8.457 23.007) 24.512 13.455 ( 0.000 -4.518 -2.545) 5.186 13.455 ( 0.000 -4.518 2.545) 5.186 14.611 ( 0.000 8.342 -5.672) 10.088 14.611 ( 0.000 8.342 5.672) 10.088 15.109 ( 0.000 -2.638 -14.493) 14.732 15.109 ( 0.000 -2.638 14.493) 14.731 15.305 ( 0.000 -9.635 -14.768) 17.633 15.305 ( 0.000 -9.635 14.768) 17.633 15.403 ( 0.000 -10.647 -2.698) 10.983 15.403 ( 0.000 -10.647 2.698) 10.983 17.131 ( 0.000 6.091 -0.712) 6.132 17.131 ( 0.000 6.091 0.712) 6.132 17.192 ( 0.000 8.037 -12.647) 14.985 17.192 ( 0.000 8.037 12.647) 14.985 18.483 ( 0.000 0.641 -20.678) 20.688 18.483 ( 0.000 0.641 20.678) 20.688 19.055 ( 0.000 -16.404 -20.192) 26.015 19.055 ( 0.000 -16.404 20.192) 26.015 21.691 ( 0.000 -0.938 -1.837) 2.062 21.691 ( 0.000 -0.938 1.837) 2.062 22.147 ( 0.000 -0.812 -1.923) 2.088 22.147 ( 0.000 -0.812 1.923) 2.088 23.809 ( 0.000 -3.611 -0.703) 3.679 23.809 ( 0.000 -3.611 0.703) 3.679 23.904 ( 0.000 -8.208 -0.738) 8.241 23.904 ( 0.000 -8.208 0.738) 8.241 ======================= Grid point 202 (65/72) ======================= q-point: ( 0.20 0.36 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.86e-04 2.86e-04 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 105 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.662 ( 1.196 6.516 -4.007) 7.742 2.662 ( 1.196 6.516 4.007) 7.742 2.766 ( 0.111 15.547 -1.670) 15.637 2.766 ( 0.111 15.547 1.670) 15.637 3.014 ( -5.818 6.615 -3.690) 9.551 3.014 ( -5.818 6.615 3.690) 9.551 3.240 ( -3.350 6.939 -3.704) 8.549 3.240 ( -3.350 6.939 3.704) 8.549 3.381 ( 4.120 -1.386 -2.014) 4.791 3.381 ( 4.120 -1.386 2.014) 4.791 3.546 ( -0.877 5.763 -1.869) 6.122 3.546 ( -0.877 5.763 1.869) 6.122 3.705 ( 4.077 3.771 -0.901) 5.627 3.705 ( 4.077 3.771 0.901) 5.627 4.128 ( 0.045 -2.986 -3.631) 4.702 4.128 ( 0.045 -2.986 3.631) 4.702 4.331 ( 0.348 8.690 -4.420) 9.756 4.331 ( 0.348 8.690 4.420) 9.756 4.619 ( -0.817 6.443 -10.615) 12.444 4.619 ( -0.817 6.443 10.615) 12.444 5.009 ( 0.456 10.316 -9.931) 14.327 5.009 ( 0.456 10.316 9.931) 14.327 5.075 ( 2.387 6.619 -4.587) 8.399 5.075 ( 2.387 6.619 4.587) 8.399 5.777 ( -1.894 2.525 -4.838) 5.776 5.777 ( -1.894 2.525 4.838) 5.776 5.839 ( -1.178 1.280 -0.698) 1.874 5.839 ( -1.178 1.280 0.698) 1.874 7.019 ( 4.627 6.735 -3.507) 8.892 7.019 ( 4.627 6.735 3.507) 8.892 7.223 ( 6.052 6.562 -4.040) 9.799 7.223 ( 6.052 6.562 4.040) 9.799 7.424 ( -5.205 4.693 -10.022) 12.229 7.424 ( -5.205 4.693 10.022) 12.229 7.796 ( 2.890 8.061 -7.334) 11.275 7.796 ( 2.890 8.061 7.334) 11.275 8.061 ( 1.348 10.922 -13.074) 17.089 8.061 ( 1.348 10.922 13.074) 17.089 8.413 ( -6.197 5.446 -15.159) 17.258 8.413 ( -6.197 5.446 15.159) 17.258 8.837 ( 7.805 10.739 -5.796) 14.486 8.837 ( 7.805 10.739 5.796) 14.486 9.216 ( -0.746 7.528 -3.160) 8.198 9.216 ( -0.746 7.528 3.160) 8.198 9.522 ( 1.496 -1.252 -3.655) 4.143 9.522 ( 1.496 -1.252 3.655) 4.143 9.737 ( -3.908 -4.603 -6.682) 9.006 9.737 ( -3.908 -4.603 6.682) 9.006 9.872 ( 2.931 -14.094 -2.342) 14.585 9.872 ( 2.931 -14.094 2.342) 14.585 9.979 ( 2.126 -8.561 -5.514) 10.403 9.979 ( 2.126 -8.561 5.514) 10.403 10.368 ( -8.932 6.738 -0.437) 11.197 10.368 ( -8.932 6.738 0.437) 11.197 10.697 ( -4.721 0.265 -5.724) 7.425 10.697 ( -4.721 0.265 5.724) 7.425 10.927 ( 3.522 20.940 -0.568) 21.242 10.927 ( 3.522 20.940 0.568) 21.242 11.139 ( 3.697 5.777 -19.624) 20.788 11.139 ( 3.697 5.777 19.624) 20.788 11.633 ( -8.022 3.611 -9.063) 12.631 11.633 ( -8.022 3.611 9.063) 12.631 11.858 ( -2.341 -0.818 -10.702) 10.985 11.858 ( -2.341 -0.818 10.702) 10.985 12.468 ( 4.862 3.707 -2.051) 6.449 12.468 ( 4.862 3.707 2.051) 6.449 12.734 ( -2.216 4.359 -1.381) 5.081 12.734 ( -2.216 4.359 1.381) 5.081 13.333 ( 1.462 6.909 -21.419) 22.554 13.333 ( 1.462 6.909 21.419) 22.554 13.445 ( -0.962 -2.036 -7.738) 8.059 13.445 ( -0.962 -2.036 7.738) 8.059 14.690 ( 7.519 6.815 -5.085) 11.351 14.690 ( 7.519 6.815 5.085) 11.351 15.095 ( -1.674 -1.635 -12.561) 12.778 15.095 ( -1.674 -1.635 12.561) 12.778 15.306 ( 0.093 -9.779 -13.801) 16.915 15.306 ( 0.093 -9.779 13.801) 16.915 15.376 ( -2.558 -10.946 -2.668) 11.553 15.376 ( -2.558 -10.946 2.668) 11.553 17.128 ( -0.242 6.066 -1.057) 6.162 17.128 ( -0.242 6.066 1.057) 6.162 17.186 ( -0.540 7.960 -10.325) 13.048 17.186 ( -0.540 7.960 10.325) 13.048 18.499 ( 1.546 0.278 -18.670) 18.736 18.499 ( 1.546 0.278 18.670) 18.736 19.010 ( -4.095 -14.750 -18.630) 24.112 19.010 ( -4.095 -14.750 18.630) 24.112 21.729 ( 3.692 -0.906 -2.103) 4.344 21.729 ( 3.692 -0.906 2.103) 4.344 22.107 ( -3.937 -0.923 -2.094) 4.553 22.107 ( -3.937 -0.923 2.094) 4.553 23.788 ( -1.281 -3.289 -0.351) 3.547 23.788 ( -1.281 -3.289 0.351) 3.547 23.952 ( 3.629 -9.238 -0.373) 9.933 23.952 ( 3.629 -9.238 0.373) 9.933 ======================= Grid point 204 (66/72) ======================= q-point: ( 0.40 0.36 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.86e-04 2.86e-04 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 105 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.699 ( 2.425 8.697 -5.855) 10.761 2.699 ( 2.425 8.697 5.855) 10.761 2.753 ( -1.808 12.360 -4.206) 13.180 2.753 ( -1.808 12.360 4.206) 13.180 2.930 ( -2.098 8.296 -1.701) 8.724 2.930 ( -2.098 8.296 1.701) 8.724 3.173 ( -2.487 8.947 -1.991) 9.498 3.173 ( -2.487 8.947 1.991) 9.498 3.444 ( 1.999 2.051 -1.864) 3.417 3.444 ( 1.999 2.051 1.864) 3.417 3.526 ( -0.866 4.479 -1.776) 4.896 3.526 ( -0.866 4.479 1.776) 4.896 3.813 ( 5.905 1.331 -0.623) 6.085 3.813 ( 5.905 1.331 0.623) 6.085 4.044 ( -6.162 -2.070 -0.763) 6.545 4.044 ( -6.162 -2.070 0.763) 6.545 4.428 ( 7.541 5.967 -1.253) 9.698 4.428 ( 7.541 5.967 1.253) 9.698 4.565 ( -5.038 4.710 -7.050) 9.862 4.565 ( -5.038 4.710 7.050) 9.862 5.037 ( 2.007 10.760 -5.879) 12.424 5.037 ( 2.007 10.760 5.879) 12.424 5.096 ( -0.409 9.099 -0.438) 9.118 5.096 ( -0.409 9.099 0.438) 9.118 5.748 ( -0.717 1.619 -1.664) 2.429 5.748 ( -0.717 1.619 1.664) 2.429 5.815 ( -0.960 -0.343 -0.065) 1.021 5.815 ( -0.960 -0.343 0.065) 1.021 7.131 ( 6.409 5.289 -4.386) 9.396 7.131 ( 6.409 5.289 4.386) 9.396 7.252 ( -5.001 6.266 -6.866) 10.555 7.252 ( -5.001 6.266 6.866) 10.555 7.408 ( 3.924 7.118 -3.403) 8.811 7.408 ( 3.924 7.118 3.403) 8.811 7.827 ( 0.014 7.073 -3.495) 7.890 7.827 ( 0.014 7.073 3.495) 7.890 8.100 ( 2.734 10.729 -11.389) 15.884 8.100 ( 2.734 10.729 11.389) 15.884 8.289 ( -5.540 7.161 -11.971) 15.009 8.289 ( -5.540 7.161 11.971) 15.009 8.991 ( 7.070 9.137 -2.588) 11.839 8.991 ( 7.070 9.137 2.588) 11.839 9.168 ( -4.196 5.432 -3.837) 7.863 9.168 ( -4.196 5.432 3.837) 7.863 9.567 ( 1.906 0.772 -1.818) 2.745 9.567 ( 1.906 0.772 1.818) 2.745 9.694 ( -0.059 -2.798 -7.236) 7.758 9.694 ( -0.059 -2.798 7.236) 7.758 9.947 ( 4.765 -9.099 -4.787) 11.332 9.947 ( 4.765 -9.099 4.787) 11.332 10.011 ( 0.129 -5.395 -6.712) 8.612 10.011 ( 0.129 -5.395 6.712) 8.612 10.191 ( -7.499 -3.956 -0.505) 8.494 10.191 ( -7.499 -3.956 0.505) 8.494 10.560 ( -5.950 -1.011 -3.658) 7.057 10.560 ( -5.950 -1.011 3.658) 7.057 11.048 ( 7.208 18.549 -2.329) 20.036 11.048 ( 7.208 18.549 2.329) 20.036 11.169 ( -2.359 17.053 -10.516) 20.173 11.169 ( -2.359 17.053 10.516) 20.173 11.539 ( -0.740 -4.252 -3.053) 5.287 11.539 ( -0.740 -4.252 3.053) 5.287 11.765 ( -5.039 3.114 -5.975) 8.414 11.765 ( -5.039 3.114 5.975) 8.414 12.570 ( 4.583 3.592 -1.004) 5.909 12.570 ( 4.583 3.592 1.004) 5.909 12.682 ( -2.846 2.867 -1.613) 4.350 12.682 ( -2.846 2.867 1.613) 4.350 13.362 ( 1.130 3.084 -12.682) 13.101 13.362 ( 1.130 3.084 12.682) 13.101 13.425 ( -0.847 3.039 -8.151) 8.741 13.425 ( -0.847 3.039 8.151) 8.741 14.864 ( 9.157 3.375 -4.718) 10.839 14.864 ( 9.157 3.375 4.718) 10.839 15.028 ( -5.511 1.919 -7.526) 9.524 15.028 ( -5.511 1.919 7.526) 9.524 15.307 ( -0.115 -11.421 -10.991) 15.851 15.307 ( -0.115 -11.421 10.991) 15.851 15.328 ( -1.583 -10.697 -5.910) 12.323 15.328 ( -1.583 -10.697 5.910) 12.323 17.124 ( -0.153 6.003 -0.649) 6.040 17.124 ( -0.153 6.003 0.649) 6.040 17.176 ( -0.338 7.866 -4.010) 8.835 17.176 ( -0.338 7.866 4.010) 8.835 18.531 ( 1.276 -0.474 -9.048) 9.150 18.531 ( 1.276 -0.474 9.048) 9.150 18.932 ( -2.796 -11.999 -9.233) 15.397 18.932 ( -2.796 -11.999 9.233) 15.397 21.815 ( 4.126 -0.620 -1.768) 4.531 21.815 ( 4.126 -0.620 1.768) 4.531 22.017 ( -4.284 -1.298 -1.736) 4.801 22.017 ( -4.284 -1.298 1.736) 4.801 23.772 ( -0.336 -2.924 -0.102) 2.945 23.772 ( -0.336 -2.924 0.102) 2.945 24.010 ( 1.754 -10.715 -0.107) 10.858 24.010 ( 1.754 -10.715 0.107) 10.858 ======================= Grid point 210 (67/72) ======================= q-point: ( 0.00 0.43 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.86e-04 2.86e-04 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 66 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.722 ( 0.000 1.884 -0.540) 1.960 2.722 ( 0.000 1.884 0.540) 1.960 3.007 ( 0.000 9.055 -2.507) 9.396 3.007 ( 0.000 9.055 2.507) 9.396 3.188 ( 0.000 -0.269 -2.471) 2.485 3.188 ( 0.000 -0.269 2.471) 2.485 3.227 ( 0.000 -0.490 -1.374) 1.459 3.227 ( 0.000 -0.490 1.374) 1.459 3.429 ( 0.000 7.583 -0.915) 7.638 3.429 ( 0.000 7.583 0.915) 7.638 3.628 ( 0.000 1.302 -0.689) 1.473 3.628 ( 0.000 1.302 0.689) 1.473 3.723 ( 0.000 1.257 -0.080) 1.260 3.723 ( 0.000 1.257 0.080) 1.260 4.048 ( 0.000 -4.166 -4.078) 5.830 4.048 ( 0.000 -4.166 4.078) 5.830 4.488 ( 0.000 5.634 -2.801) 6.292 4.488 ( 0.000 5.634 2.801) 6.292 4.727 ( 0.000 3.683 -5.171) 6.348 4.727 ( 0.000 3.683 5.171) 6.348 5.090 ( 0.000 2.298 -0.383) 2.330 5.090 ( 0.000 2.298 0.383) 2.330 5.195 ( 0.000 5.909 -2.561) 6.441 5.195 ( 0.000 5.909 2.561) 6.441 5.852 ( 0.000 3.088 -3.527) 4.688 5.852 ( 0.000 3.088 3.527) 4.688 5.914 ( 0.000 2.382 -0.246) 2.395 5.914 ( 0.000 2.382 0.246) 2.395 7.134 ( 0.000 7.713 -3.883) 8.635 7.134 ( 0.000 7.713 3.883) 8.635 7.255 ( 0.000 5.014 -0.800) 5.078 7.255 ( 0.000 5.014 0.800) 5.078 7.560 ( 0.000 2.338 -8.738) 9.045 7.560 ( 0.000 2.338 8.738) 9.045 7.858 ( 0.000 2.522 -5.950) 6.462 7.858 ( 0.000 2.522 5.950) 6.462 8.215 ( 0.000 6.527 -16.491) 17.735 8.215 ( 0.000 6.527 16.491) 17.735 8.505 ( 0.000 -1.241 -11.904) 11.969 8.505 ( 0.000 -1.241 11.904) 11.969 8.988 ( 0.000 12.081 -7.701) 14.327 8.988 ( 0.000 12.081 7.701) 14.327 9.264 ( 0.000 -3.312 -0.945) 3.444 9.264 ( 0.000 -3.312 0.945) 3.444 9.399 ( 0.000 -16.314 -4.503) 16.924 9.399 ( 0.000 -16.314 4.503) 16.924 9.519 ( 0.000 2.259 -12.545) 12.747 9.519 ( 0.000 2.259 12.545) 12.747 9.787 ( 0.000 -2.432 -5.249) 5.785 9.787 ( 0.000 -2.432 5.249) 5.785 9.863 ( 0.000 -1.953 -0.473) 2.009 9.863 ( 0.000 -1.953 0.473) 2.009 10.686 ( 0.000 8.435 -5.692) 10.176 10.686 ( 0.000 8.435 5.692) 10.176 10.753 ( 0.000 1.110 -8.586) 8.657 10.753 ( 0.000 1.110 8.586) 8.657 11.090 ( 0.000 -1.799 -14.020) 14.135 11.090 ( 0.000 -1.799 14.020) 14.135 11.251 ( 0.000 15.192 -5.400) 16.124 11.251 ( 0.000 15.192 5.400) 16.124 11.572 ( 0.000 -11.688 -7.343) 13.803 11.572 ( 0.000 -11.688 7.343) 13.803 12.138 ( 0.000 17.317 -2.360) 17.477 12.138 ( 0.000 17.317 2.360) 17.477 12.474 ( 0.000 1.145 -2.778) 3.005 12.474 ( 0.000 1.145 2.779) 3.005 12.818 ( 0.000 2.182 -1.453) 2.622 12.818 ( 0.000 2.182 1.453) 2.622 13.357 ( 0.000 -5.003 -0.405) 5.019 13.357 ( 0.000 -5.003 0.405) 5.019 13.417 ( 0.000 2.143 -11.032) 11.238 13.417 ( 0.000 2.143 11.032) 11.238 14.743 ( 0.000 3.742 -15.063) 15.520 14.743 ( 0.000 3.742 15.063) 15.520 15.032 ( 0.000 -3.466 -16.774) 17.129 15.032 ( 0.000 -3.466 16.774) 17.129 15.178 ( 0.000 -5.017 -11.264) 12.331 15.178 ( 0.000 -5.017 11.264) 12.331 15.298 ( 0.000 0.128 -2.579) 2.582 15.298 ( 0.000 0.128 2.579) 2.582 17.224 ( 0.000 3.212 -1.460) 3.528 17.224 ( 0.000 3.212 1.460) 3.528 17.310 ( 0.000 4.081 -8.657) 9.570 17.310 ( 0.000 4.081 8.657) 9.570 18.518 ( 0.000 2.438 -9.833) 10.130 18.518 ( 0.000 2.438 9.833) 10.130 18.805 ( 0.000 -9.028 -12.679) 15.565 18.805 ( 0.000 -9.028 12.679) 15.565 21.671 ( 0.000 -0.825 -1.138) 1.406 21.671 ( 0.000 -0.825 1.138) 1.406 22.080 ( 0.000 -4.530 -1.706) 4.841 22.080 ( 0.000 -4.530 1.706) 4.841 23.705 ( 0.000 -4.583 -1.008) 4.693 23.705 ( 0.000 -4.583 1.008) 4.693 23.838 ( 0.000 -1.300 -0.613) 1.437 23.838 ( 0.000 -1.300 0.613) 1.437 ======================= Grid point 212 (68/72) ======================= q-point: ( 0.20 0.43 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.86e-04 2.86e-04 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 106 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.749 ( 2.747 2.928 -2.718) 4.849 2.749 ( 2.747 2.928 2.718) 4.849 3.021 ( 0.282 9.815 -2.585) 10.153 3.021 ( 0.282 9.815 2.585) 10.153 3.089 ( -4.712 1.840 -2.587) 5.682 3.089 ( -4.712 1.840 2.587) 5.682 3.316 ( 4.054 -2.162 -3.499) 5.776 3.316 ( 4.054 -2.162 3.499) 5.776 3.400 ( -1.816 6.891 -0.715) 7.162 3.400 ( -1.816 6.891 0.715) 7.162 3.609 ( -2.042 0.222 -1.454) 2.517 3.609 ( -2.042 0.222 1.454) 2.517 3.757 ( 3.252 1.489 -0.716) 3.647 3.757 ( 3.252 1.489 0.716) 3.647 4.039 ( -1.611 -4.638 -2.969) 5.738 4.039 ( -1.611 -4.638 2.969) 5.738 4.477 ( 0.122 5.570 -3.006) 6.331 4.477 ( 0.122 5.570 3.006) 6.331 4.712 ( -1.915 3.365 -5.602) 6.810 4.712 ( -1.915 3.365 5.602) 6.810 5.139 ( 3.937 3.504 -5.801) 7.838 5.139 ( 3.937 3.504 5.801) 7.838 5.206 ( 1.399 5.750 -2.307) 6.351 5.206 ( 1.399 5.750 2.307) 6.351 5.832 ( -1.918 2.966 -3.360) 4.875 5.832 ( -1.918 2.966 3.360) 4.875 5.878 ( -3.092 1.834 -0.995) 3.730 5.878 ( -3.092 1.834 0.995) 3.730 7.147 ( 2.077 5.447 -2.227) 6.240 7.147 ( 2.077 5.447 2.227) 6.240 7.366 ( 9.037 7.649 -3.355) 12.305 7.366 ( 9.037 7.649 3.355) 12.305 7.487 ( -5.355 1.846 -8.146) 9.922 7.487 ( -5.355 1.846 8.146) 9.922 7.897 ( 2.218 2.365 -6.153) 6.955 7.897 ( 2.218 2.365 6.153) 6.955 8.226 ( 1.121 6.011 -16.212) 17.326 8.226 ( 1.121 6.011 16.212) 17.326 8.472 ( -3.531 0.707 -12.832) 13.327 8.472 ( -3.531 0.707 12.832) 13.327 9.033 ( 4.027 9.575 -6.916) 12.479 9.033 ( 4.027 9.575 6.916) 12.479 9.258 ( -0.316 -2.721 -4.315) 5.111 9.258 ( -0.316 -2.721 4.315) 5.111 9.409 ( 0.607 -13.120 -4.292) 13.818 9.409 ( 0.607 -13.120 4.292) 13.818 9.503 ( -1.014 -3.429 -11.144) 11.704 9.503 ( -1.014 -3.429 11.144) 11.704 9.802 ( 2.410 -0.461 -4.498) 5.124 9.802 ( 2.410 -0.461 4.498) 5.124 9.915 ( 4.743 -0.108 -0.711) 4.797 9.915 ( 4.743 -0.108 0.711) 4.797 10.545 ( -12.101 8.485 -5.260) 15.687 10.545 ( -12.101 8.485 5.260) 15.687 10.673 ( -7.883 -1.119 -7.459) 10.910 10.673 ( -7.883 -1.119 7.459) 10.910 11.129 ( 3.283 -0.680 -11.679) 12.151 11.129 ( 3.283 -0.680 11.679) 12.151 11.336 ( 6.540 12.633 -10.205) 17.507 11.336 ( 6.540 12.633 10.205) 17.507 11.534 ( -2.339 -6.600 -5.817) 9.104 11.534 ( -2.339 -6.600 5.817) 9.104 12.067 ( -6.797 13.329 -3.687) 15.409 12.067 ( -6.797 13.329 3.687) 15.409 12.534 ( 5.317 2.999 -2.000) 6.424 12.534 ( 5.317 2.999 2.000) 6.424 12.796 ( -2.182 2.684 -1.406) 3.734 12.796 ( -2.182 2.684 1.406) 3.734 13.368 ( 0.910 -3.235 -2.568) 4.229 13.368 ( 0.910 -3.235 2.568) 4.229 13.424 ( 0.666 0.642 -8.931) 8.978 13.424 ( 0.666 0.642 8.931) 8.978 14.789 ( 4.454 2.068 -13.289) 14.167 14.789 ( 4.454 2.068 13.289) 14.167 15.031 ( -0.306 -3.625 -12.943) 13.444 15.031 ( -0.306 -3.625 12.943) 13.444 15.176 ( -0.204 -4.498 -9.852) 10.832 15.176 ( -0.204 -4.498 9.852) 10.832 15.277 ( -2.099 0.703 -0.970) 2.417 15.277 ( -2.099 0.703 0.970) 2.417 17.224 ( 0.006 3.466 -1.174) 3.660 17.224 ( 0.006 3.466 1.174) 3.660 17.299 ( -1.015 3.671 -7.192) 8.138 17.299 ( -1.015 3.671 7.192) 8.138 18.530 ( 1.140 2.463 -9.131) 9.526 18.530 ( 1.140 2.463 9.131) 9.526 18.784 ( -1.903 -8.288 -11.486) 14.291 18.784 ( -1.903 -8.288 11.486) 14.291 21.706 ( 3.442 -1.037 -1.325) 3.832 21.706 ( 3.442 -1.037 1.325) 3.832 22.040 ( -3.882 -4.405 -1.730) 6.121 22.040 ( -3.882 -4.405 1.730) 6.121 23.717 ( 1.079 -3.260 -1.273) 3.662 23.717 ( 1.079 -3.260 1.273) 3.662 23.843 ( 0.445 -2.929 -0.997) 3.126 23.843 ( 0.445 -2.929 0.997) 3.126 ======================= Grid point 214 (69/72) ======================= q-point: ( 0.40 0.43 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.86e-04 2.86e-04 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 106 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.825 ( 4.929 4.659 -3.703) 7.728 2.825 ( 4.929 4.659 3.703) 7.728 2.940 ( -6.023 5.539 -3.600) 8.940 2.940 ( -6.023 5.539 3.600) 8.940 3.093 ( 1.934 9.146 -1.485) 9.466 3.093 ( 1.934 9.146 1.485) 9.466 3.305 ( -2.485 4.436 -1.758) 5.380 3.305 ( -2.485 4.436 1.758) 5.380 3.445 ( 4.411 -1.330 -2.102) 5.064 3.445 ( 4.411 -1.330 2.102) 5.064 3.551 ( -3.551 -1.707 -2.092) 4.461 3.551 ( -3.551 -1.707 2.092) 4.461 3.838 ( 4.684 0.949 -0.718) 4.833 3.838 ( 4.684 0.949 0.718) 4.833 3.970 ( -4.770 -3.794 -1.445) 6.264 3.970 ( -4.770 -3.794 1.445) 6.264 4.531 ( 5.197 4.087 -0.694) 6.648 4.531 ( 5.197 4.087 0.694) 6.648 4.642 ( -5.267 3.045 -3.371) 6.956 4.642 ( -5.267 3.045 3.371) 6.956 5.205 ( 2.456 6.121 -4.862) 8.194 5.205 ( 2.456 6.121 4.862) 8.194 5.239 ( 1.061 5.311 -2.186) 5.841 5.239 ( 1.061 5.311 2.186) 5.841 5.793 ( -1.377 2.535 -1.229) 3.136 5.793 ( -1.377 2.535 1.229) 3.136 5.824 ( -1.855 0.785 -0.170) 2.021 5.824 ( -1.855 0.785 0.170) 2.021 7.213 ( 4.113 3.590 -1.935) 5.792 7.213 ( 4.113 3.590 1.935) 5.792 7.349 ( -5.393 2.462 -3.803) 7.043 7.349 ( -5.393 2.462 3.803) 7.043 7.580 ( 7.976 10.187 -1.682) 13.047 7.580 ( 7.976 10.187 1.682) 13.047 7.903 ( -1.397 1.031 -2.390) 2.954 7.903 ( -1.397 1.031 2.390) 2.954 8.264 ( 2.795 5.370 -14.435) 15.653 8.264 ( 2.795 5.370 14.435) 15.653 8.377 ( -5.294 1.892 -12.891) 14.064 8.377 ( -5.294 1.892 12.891) 14.064 9.116 ( 4.003 4.928 -4.967) 8.061 9.116 ( 4.003 4.928 4.967) 8.061 9.230 ( -2.841 1.828 -4.794) 5.865 9.230 ( -2.841 1.828 4.794) 5.865 9.437 ( 2.437 -10.935 -4.477) 12.065 9.437 ( 2.437 -10.935 4.477) 12.065 9.486 ( -1.227 -9.904 -6.792) 12.071 9.486 ( -1.227 -9.904 6.792) 12.071 9.914 ( 8.962 1.520 -2.648) 9.468 9.914 ( 8.962 1.520 2.648) 9.468 10.007 ( 2.674 2.904 -2.725) 4.797 10.007 ( 2.674 2.904 2.725) 4.797 10.288 ( -12.078 7.961 -3.683) 14.927 10.288 ( -12.078 7.961 3.683) 14.927 10.510 ( -6.489 -3.013 -3.765) 8.085 10.510 ( -6.489 -3.013 3.765) 8.085 11.208 ( 4.361 0.348 -9.057) 10.058 11.208 ( 4.361 0.348 9.057) 10.058 11.351 ( -3.980 -3.428 -11.005) 12.194 11.351 ( -3.980 -3.428 11.005) 12.194 11.602 ( 7.554 13.626 -2.786) 15.827 11.602 ( 7.554 13.626 2.786) 15.827 11.908 ( -7.942 8.575 -3.232) 12.126 11.908 ( -7.942 8.575 3.232) 12.126 12.645 ( 5.543 3.756 -1.385) 6.837 12.645 ( 5.543 3.756 1.385) 6.837 12.737 ( -3.878 3.274 -1.307) 5.241 12.737 ( -3.878 3.274 1.307) 5.241 13.382 ( 0.434 -0.455 -1.646) 1.762 13.382 ( 0.434 -0.455 1.646) 1.762 13.436 ( 0.418 -1.674 -3.325) 3.746 13.436 ( 0.418 -1.674 3.325) 3.746 14.888 ( 4.640 -1.162 -7.314) 8.739 14.888 ( 4.640 -1.162 7.314) 8.739 15.010 ( -1.838 -5.069 -3.240) 6.291 15.010 ( -1.838 -5.069 3.240) 6.291 15.176 ( 0.307 -0.473 -8.951) 8.969 15.176 ( 0.307 -0.473 8.951) 8.969 15.231 ( -1.987 0.223 -4.733) 5.138 15.231 ( -1.987 0.223 4.733) 5.138 17.225 ( 0.065 4.105 -0.512) 4.138 17.225 ( 0.065 4.105 0.512) 4.138 17.280 ( -0.686 2.798 -2.984) 4.148 17.280 ( -0.686 2.798 2.984) 4.148 18.554 ( 0.949 2.583 -4.742) 5.483 18.554 ( 0.949 2.583 4.742) 5.483 18.747 ( -1.413 -7.207 -5.672) 9.280 18.747 ( -1.413 -7.207 5.672) 9.280 21.791 ( 4.529 -1.095 -1.308) 4.840 21.791 ( 4.529 -1.095 1.308) 4.840 21.948 ( -4.788 -4.479 -1.438) 6.712 21.948 ( -4.788 -4.479 1.438) 6.712 23.736 ( 0.635 -0.784 -0.716) 1.237 23.736 ( 0.635 -0.784 0.716) 1.237 23.851 ( 0.286 -5.892 -0.608) 5.930 23.851 ( 0.286 -5.892 0.608) 5.930 ======================= Grid point 220 (70/72) ======================= q-point: ( 0.00 -0.50 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.86e-04 2.86e-04 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 36 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.739 ( 0.000 0.000 -0.000) 0.000 2.739 ( 0.000 0.000 0.000) 0.000 3.097 ( 0.000 0.000 -0.000) 0.000 3.097 ( 0.000 0.000 0.000) 0.000 3.171 ( 0.000 0.000 -0.000) 0.000 3.171 ( 0.000 0.000 0.000) 0.000 3.227 ( 0.000 0.000 -0.000) 0.000 3.227 ( 0.000 0.000 0.000) 0.000 3.571 ( 0.000 -0.000 0.000) 0.000 3.571 ( 0.000 0.000 -0.000) 0.000 3.583 ( 0.000 -0.000 0.000) 0.000 3.583 ( 0.000 0.000 -0.000) 0.000 3.733 ( 0.000 0.000 -0.000) 0.000 3.733 ( 0.000 0.000 0.000) 0.000 3.999 ( 0.000 0.000 0.000) 0.000 3.999 ( 0.000 0.000 0.000) 0.000 4.546 ( 0.000 0.000 -0.000) 0.000 4.546 ( 0.000 0.000 0.000) 0.000 4.764 ( 0.000 0.000 -0.000) 0.000 4.764 ( 0.000 0.000 0.000) 0.000 5.113 ( 0.000 0.000 -0.000) 0.000 5.113 ( 0.000 0.000 0.000) 0.000 5.251 ( 0.000 0.000 -0.000) 0.000 5.251 ( 0.000 0.000 0.000) 0.000 5.892 ( 0.000 0.000 -0.000) 0.000 5.892 ( 0.000 0.000 0.000) 0.000 5.933 ( 0.000 0.000 -0.000) 0.000 5.933 ( 0.000 0.000 0.000) 0.000 7.213 ( 0.000 0.000 -0.000) 0.000 7.213 ( 0.000 0.000 0.000) 0.000 7.319 ( 0.000 0.000 -0.000) 0.000 7.319 ( 0.000 0.000 0.000) 0.000 7.583 ( 0.000 0.000 -0.000) 0.000 7.583 ( 0.000 0.000 0.000) 0.000 7.875 ( 0.000 0.000 -0.000) 0.000 7.875 ( 0.000 0.000 0.000) 0.000 8.283 ( 0.000 0.000 -0.000) 0.000 8.283 ( 0.000 0.000 0.000) 0.000 8.486 ( 0.000 0.000 -0.000) 0.000 8.486 ( 0.000 0.000 0.000) 0.000 9.151 ( 0.000 0.000 -0.000) 0.000 9.151 ( 0.000 -0.000 0.000) 0.000 9.201 ( 0.000 0.000 0.000) 0.000 9.201 ( 0.000 0.000 0.000) 0.000 9.218 ( 0.000 0.000 -0.000) 0.000 9.218 ( 0.000 0.000 0.000) 0.000 9.547 ( 0.000 0.000 -0.000) 0.000 9.547 ( 0.000 0.000 0.000) 0.000 9.757 ( 0.000 0.000 -0.000) 0.000 9.757 ( 0.000 0.000 0.000) 0.000 9.850 ( 0.000 0.000 -0.000) 0.000 9.850 ( 0.000 0.000 0.000) 0.000 10.735 ( 0.000 0.000 -0.000) 0.000 10.735 ( 0.000 0.000 0.000) 0.000 10.809 ( 0.000 0.000 -0.000) 0.000 10.809 ( 0.000 0.000 0.000) 0.000 11.064 ( 0.000 0.000 -0.000) 0.000 11.064 ( 0.000 0.000 0.000) 0.000 11.421 ( 0.000 0.000 -0.001) 0.001 11.421 ( 0.000 0.000 0.000) 0.000 11.432 ( 0.000 -0.000 -0.000) 0.000 11.432 ( 0.000 -0.000 0.001) 0.001 12.321 ( 0.000 0.000 -0.000) 0.000 12.321 ( 0.000 0.000 0.000) 0.000 12.480 ( 0.000 0.000 -0.000) 0.000 12.480 ( 0.000 0.000 0.000) 0.000 12.844 ( 0.000 0.000 -0.000) 0.000 12.844 ( 0.000 0.000 0.000) 0.000 13.299 ( 0.000 0.000 -0.000) 0.000 13.299 ( 0.000 0.000 0.000) 0.000 13.431 ( 0.000 -0.000 -0.000) 0.000 13.431 ( 0.000 -0.000 0.000) 0.000 14.762 ( 0.000 0.000 -0.000) 0.000 14.762 ( 0.000 0.000 0.000) 0.000 15.005 ( 0.000 0.000 -0.000) 0.000 15.005 ( 0.000 0.000 0.000) 0.000 15.131 ( 0.000 0.000 -0.000) 0.000 15.131 ( 0.000 0.000 0.000) 0.000 15.313 ( 0.000 0.000 -0.000) 0.000 15.313 ( 0.000 0.000 0.000) 0.000 17.255 ( 0.000 0.000 -0.000) 0.000 17.255 ( 0.000 0.000 0.000) 0.000 17.350 ( 0.000 0.000 -0.000) 0.000 17.350 ( 0.000 0.000 0.000) 0.000 18.549 ( 0.000 0.000 -0.000) 0.000 18.549 ( 0.000 0.000 0.000) 0.000 18.714 ( 0.000 0.000 -0.000) 0.000 18.714 ( 0.000 0.000 0.000) 0.000 21.663 ( 0.000 0.000 -0.000) 0.000 21.663 ( 0.000 0.000 0.000) 0.000 22.027 ( 0.000 0.000 -0.000) 0.000 22.027 ( 0.000 0.000 0.000) 0.000 23.660 ( 0.000 0.000 -0.000) 0.000 23.660 ( 0.000 0.000 0.000) 0.000 23.825 ( 0.000 0.000 -0.000) 0.000 23.825 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 224 (71/72) ======================= q-point: ( 0.20 -0.50 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.86e-04 2.86e-04 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.778 ( 3.793 0.000 -0.000) 3.793 2.778 ( 3.793 0.000 0.000) 3.793 3.097 ( -5.344 0.000 -0.000) 5.344 3.097 ( -5.344 0.000 0.000) 5.344 3.133 ( 3.647 0.000 -0.000) 3.647 3.133 ( 3.647 0.000 0.000) 3.647 3.278 ( 3.003 0.000 -0.000) 3.003 3.278 ( 3.003 0.000 0.000) 3.003 3.539 ( -3.257 0.000 -0.000) 3.257 3.539 ( -3.257 0.000 -0.000) 3.257 3.547 ( -3.029 -0.000 0.000) 3.029 3.547 ( -3.029 0.000 -0.000) 3.029 3.770 ( 3.255 0.000 -0.000) 3.255 3.770 ( 3.255 0.000 0.000) 3.255 3.989 ( -1.431 0.000 -0.000) 1.431 3.989 ( -1.431 0.000 0.000) 1.431 4.532 ( -0.246 0.000 0.000) 0.246 4.532 ( -0.246 0.000 0.000) 0.246 4.746 ( -2.174 0.000 -0.000) 2.174 4.746 ( -2.174 0.000 0.000) 2.174 5.171 ( 5.080 0.000 -0.000) 5.080 5.171 ( 5.080 0.000 0.000) 5.080 5.263 ( 1.358 0.000 -0.000) 1.358 5.263 ( 1.358 0.000 0.000) 1.358 5.869 ( -2.144 0.000 -0.000) 2.144 5.869 ( -2.144 0.000 0.000) 2.144 5.893 ( -3.507 0.000 0.000) 3.507 5.893 ( -3.507 0.000 -0.000) 3.507 7.203 ( 0.868 0.000 -0.000) 0.868 7.203 ( 0.868 0.000 0.000) 0.868 7.461 ( 11.931 0.000 -0.000) 11.931 7.461 ( 11.931 0.000 0.000) 11.931 7.499 ( -6.889 0.000 -0.000) 6.889 7.499 ( -6.889 0.000 0.000) 6.889 7.912 ( 1.892 0.000 -0.000) 1.892 7.912 ( 1.892 0.000 0.000) 1.892 8.285 ( 0.390 0.000 -0.000) 0.390 8.285 ( 0.390 0.000 0.000) 0.390 8.471 ( -2.237 0.000 -0.000) 2.237 8.471 ( -2.237 0.000 0.000) 2.237 9.167 ( 1.662 0.000 -0.000) 1.662 9.167 ( 1.662 -0.000 0.000) 1.662 9.225 ( 2.673 -0.001 -0.000) 2.673 9.225 ( 2.673 -0.000 0.000) 2.673 9.227 ( 0.727 0.001 -0.000) 0.727 9.227 ( 0.727 0.001 0.000) 0.727 9.484 ( -5.155 0.000 -0.000) 5.155 9.484 ( -5.155 0.000 0.000) 5.155 9.785 ( 3.620 0.000 -0.000) 3.620 9.785 ( 3.620 0.000 0.000) 3.620 9.933 ( 7.119 0.000 -0.000) 7.119 9.933 ( 7.119 0.000 0.000) 7.119 10.620 ( -10.989 0.000 -0.000) 10.989 10.620 ( -10.989 0.000 0.000) 10.989 10.679 ( -10.790 0.000 -0.000) 10.790 10.679 ( -10.790 0.000 0.000) 10.790 11.110 ( 3.672 0.000 -0.000) 3.672 11.110 ( 3.672 0.000 0.000) 3.672 11.385 ( -3.584 0.000 -0.000) 3.584 11.385 ( -3.584 0.000 0.000) 3.584 11.541 ( 9.834 0.000 -0.000) 9.834 11.541 ( 9.834 0.000 0.000) 9.834 12.201 ( -9.400 0.000 -0.000) 9.400 12.201 ( -9.400 0.000 0.000) 9.400 12.573 ( 6.502 0.000 -0.000) 6.502 12.573 ( 6.502 0.000 0.000) 6.502 12.828 ( -1.619 0.000 -0.000) 1.619 12.828 ( -1.619 0.000 0.000) 1.619 13.323 ( 2.217 0.000 -0.000) 2.217 13.323 ( 2.217 0.000 0.000) 2.217 13.426 ( -0.524 -0.000 -0.000) 0.524 13.426 ( -0.524 -0.000 0.000) 0.524 14.792 ( 2.874 0.000 -0.000) 2.874 14.792 ( 2.874 0.000 0.000) 2.874 14.994 ( -1.422 0.000 -0.000) 1.422 14.994 ( -1.422 0.000 0.000) 1.422 15.143 ( 1.452 0.000 -0.000) 1.452 15.143 ( 1.452 0.000 0.000) 1.452 15.296 ( -1.713 0.000 -0.000) 1.713 15.296 ( -1.713 0.000 0.000) 1.713 17.258 ( 0.373 0.000 -0.000) 0.373 17.258 ( 0.373 0.000 0.000) 0.373 17.333 ( -1.547 0.000 -0.000) 1.547 17.333 ( -1.547 0.000 0.000) 1.547 18.564 ( 1.567 0.000 -0.000) 1.567 18.564 ( 1.567 0.000 0.000) 1.567 18.698 ( -1.644 0.000 -0.000) 1.644 18.698 ( -1.644 0.000 0.000) 1.644 21.696 ( 3.264 0.000 -0.000) 3.264 21.696 ( 3.264 0.000 0.000) 3.264 21.989 ( -3.768 0.000 -0.000) 3.768 21.989 ( -3.768 0.000 0.000) 3.768 23.683 ( 2.239 0.000 -0.000) 2.239 23.683 ( 2.239 0.000 0.000) 2.239 23.816 ( -0.982 0.000 -0.000) 0.982 23.816 ( -0.982 0.000 0.000) 0.982 ======================= Grid point 228 (72/72) ======================= q-point: ( 0.40 -0.50 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.86e-04 2.86e-04 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.873 ( 5.622 0.000 -0.000) 5.622 2.873 ( 5.622 0.000 0.000) 5.622 2.986 ( -5.930 0.000 0.000) 5.930 2.986 ( -5.930 0.000 0.000) 5.930 3.230 ( 5.823 0.000 -0.000) 5.823 3.230 ( 5.823 0.000 0.000) 5.823 3.310 ( -0.895 0.000 -0.000) 0.895 3.310 ( -0.895 0.000 0.000) 0.895 3.470 ( -2.258 0.000 -0.000) 2.258 3.470 ( -2.258 0.000 0.000) 2.258 3.486 ( -2.861 0.000 -0.000) 2.861 3.486 ( -2.861 0.000 0.000) 2.861 3.846 ( 4.436 0.000 0.000) 4.436 3.846 ( 4.436 0.000 0.000) 4.436 3.933 ( -4.157 0.000 -0.000) 4.157 3.933 ( -4.157 0.000 0.000) 4.157 4.572 ( 4.344 0.000 0.000) 4.344 4.572 ( 4.344 0.000 0.000) 4.344 4.673 ( -5.177 0.000 -0.000) 5.177 4.673 ( -5.177 0.000 0.000) 5.177 5.266 ( 3.675 0.000 -0.000) 3.675 5.266 ( 3.675 0.000 0.000) 3.675 5.292 ( 0.820 0.000 -0.000) 0.820 5.292 ( 0.820 0.000 0.000) 0.820 5.826 ( -1.653 0.000 -0.000) 1.653 5.826 ( -1.653 0.000 -0.000) 1.653 5.830 ( -2.238 -0.000 0.000) 2.238 5.830 ( -2.238 0.000 0.000) 2.238 7.256 ( 4.366 0.000 -0.000) 4.366 7.256 ( 4.366 0.000 0.000) 4.366 7.364 ( -6.575 0.000 -0.000) 6.575 7.364 ( -6.575 0.000 0.000) 6.575 7.715 ( 12.699 0.000 -0.000) 12.699 7.715 ( 12.699 0.000 0.000) 12.699 7.893 ( -4.827 0.000 -0.000) 4.827 7.893 ( -4.827 0.000 0.000) 4.827 8.308 ( 2.379 0.000 -0.000) 2.379 8.308 ( 2.379 0.000 0.000) 2.379 8.388 ( -5.451 0.000 -0.000) 5.451 8.388 ( -5.451 0.000 0.000) 5.451 9.207 ( 2.095 -0.000 -0.000) 2.095 9.207 ( 2.095 -0.000 0.000) 2.095 9.234 ( -0.413 0.000 -0.000) 0.413 9.234 ( -0.413 0.000 0.000) 0.413 9.298 ( 4.298 0.000 -0.000) 4.298 9.298 ( 4.298 0.000 0.000) 4.298 9.384 ( -4.782 0.000 -0.000) 4.782 9.384 ( -4.782 0.000 0.000) 4.782 9.922 ( 10.232 0.000 -0.000) 10.232 9.922 ( 10.232 0.000 0.000) 10.232 10.055 ( 1.893 0.000 -0.000) 1.893 10.055 ( 1.893 0.000 0.000) 1.893 10.394 ( -7.682 -0.000 -0.000) 7.682 10.394 ( -7.682 -0.000 0.000) 7.682 10.461 ( -10.426 0.000 -0.000) 10.426 10.461 ( -10.426 0.000 0.000) 10.426 11.194 ( 4.947 0.000 -0.000) 4.947 11.194 ( 4.947 0.000 0.000) 4.947 11.295 ( -5.284 0.000 -0.000) 5.284 11.295 ( -5.284 0.000 0.000) 5.284 11.762 ( 12.227 0.000 -0.000) 12.227 11.762 ( 12.227 0.000 0.000) 12.227 11.995 ( -11.581 0.000 -0.000) 11.581 11.995 ( -11.581 0.000 0.000) 11.581 12.692 ( 5.461 0.000 -0.000) 5.461 12.692 ( 5.461 0.000 0.000) 5.461 12.779 ( -3.532 0.000 -0.000) 3.532 12.779 ( -3.532 0.000 0.000) 3.532 13.370 ( 2.391 0.000 -0.000) 2.391 13.370 ( 2.391 0.000 0.000) 2.391 13.408 ( -1.424 -0.000 -0.000) 1.424 13.408 ( -1.424 -0.000 0.000) 1.424 14.864 ( 4.306 0.000 -0.000) 4.306 14.864 ( 4.306 0.000 0.000) 4.306 14.944 ( -3.624 0.000 -0.000) 3.624 14.944 ( -3.624 0.000 0.000) 3.624 15.189 ( 3.036 0.000 -0.000) 3.036 15.189 ( 3.036 0.000 0.000) 3.036 15.250 ( -2.981 0.000 -0.000) 2.981 15.250 ( -2.981 0.000 0.000) 2.981 17.271 ( 1.049 0.000 -0.000) 1.049 17.271 ( 1.049 0.000 0.000) 1.049 17.299 ( -1.762 0.000 -0.000) 1.762 17.299 ( -1.762 0.000 0.000) 1.762 18.605 ( 2.505 0.000 -0.000) 2.505 18.605 ( 2.505 0.000 0.000) 2.505 18.656 ( -2.561 0.000 -0.000) 2.561 18.656 ( -2.561 -0.000 0.000) 2.561 21.782 ( 5.417 0.000 -0.000) 5.417 21.782 ( 5.417 0.000 0.000) 5.417 21.894 ( -5.713 0.000 -0.000) 5.713 21.894 ( -5.713 0.000 0.000) 5.713 23.736 ( 2.889 0.000 -0.000) 2.889 23.736 ( 2.889 0.000 0.000) 2.889 23.786 ( -2.129 0.000 -0.000) 2.129 23.786 ( -2.129 0.000 0.000) 2.129 =================== 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 3/26880 10.0 5449.961 5879.679 3402.701 0.000 0.000 0.000 3/26880 20.0 803.563 1269.394 846.177 0.000 0.000 0.000 3/26880 30.0 263.933 484.449 298.602 0.000 0.000 -0.000 3/26880 40.0 127.157 247.107 145.465 0.000 0.000 -0.000 3/26880 50.0 75.404 150.014 86.063 0.000 0.000 -0.000 3/26880 60.0 50.506 101.714 57.378 0.000 0.000 -0.000 3/26880 70.0 36.615 74.361 41.405 0.000 0.000 -0.000 3/26880 80.0 28.068 57.398 31.607 0.000 0.000 -0.000 3/26880 90.0 22.428 46.145 25.166 0.000 0.000 -0.000 3/26880 100.0 18.506 38.284 20.702 0.000 0.000 -0.000 3/26880 110.0 15.661 32.559 17.478 0.000 0.000 -0.000 3/26880 120.0 13.528 28.248 15.068 0.000 0.000 -0.000 3/26880 130.0 11.881 24.907 13.215 0.000 0.000 -0.000 3/26880 140.0 10.579 22.257 11.756 0.000 0.000 -0.000 3/26880 150.0 9.528 20.111 10.583 0.000 0.000 -0.000 3/26880 160.0 8.665 18.344 9.622 0.000 0.000 -0.000 3/26880 170.0 7.945 16.866 8.824 0.000 0.000 -0.000 3/26880 180.0 7.337 15.613 8.151 0.000 0.000 -0.000 3/26880 190.0 6.816 14.538 7.577 0.000 0.000 -0.000 3/26880 200.0 6.366 13.607 7.081 0.000 0.000 -0.000 3/26880 210.0 5.974 12.793 6.649 0.000 0.000 -0.000 3/26880 220.0 5.628 12.076 6.270 0.000 0.000 -0.000 3/26880 230.0 5.322 11.438 5.934 0.000 0.000 -0.000 3/26880 240.0 5.049 10.868 5.634 0.000 0.000 -0.000 3/26880 250.0 4.803 10.355 5.364 0.000 0.000 -0.000 3/26880 260.0 4.582 9.891 5.121 0.000 0.000 -0.000 3/26880 270.0 4.381 9.469 4.900 0.000 0.000 -0.000 3/26880 280.0 4.197 9.084 4.698 0.000 0.000 -0.000 3/26880 290.0 4.029 8.731 4.514 0.000 0.000 -0.000 3/26880 300.0 3.875 8.405 4.344 0.000 0.000 -0.000 3/26880 310.0 3.732 8.104 4.187 0.000 0.000 -0.000 3/26880 320.0 3.600 7.825 4.041 0.000 0.000 -0.000 3/26880 330.0 3.478 7.566 3.906 0.000 0.000 -0.000 3/26880 340.0 3.363 7.324 3.780 0.000 0.000 -0.000 3/26880 350.0 3.257 7.098 3.663 0.000 0.000 -0.000 3/26880 360.0 3.157 6.886 3.552 0.000 0.000 -0.000 3/26880 370.0 3.064 6.687 3.449 0.000 0.000 -0.000 3/26880 380.0 2.976 6.500 3.351 0.000 0.000 -0.000 3/26880 390.0 2.893 6.323 3.259 0.000 0.000 -0.000 3/26880 400.0 2.815 6.156 3.173 0.000 0.000 -0.000 3/26880 410.0 2.741 5.998 3.091 0.000 0.000 -0.000 3/26880 420.0 2.671 5.848 3.013 0.000 0.000 -0.000 3/26880 430.0 2.604 5.706 2.939 0.000 0.000 -0.000 3/26880 440.0 2.541 5.571 2.869 0.000 0.000 -0.000 3/26880 450.0 2.481 5.442 2.802 0.000 0.000 -0.000 3/26880 460.0 2.424 5.319 2.738 0.000 0.000 -0.000 3/26880 470.0 2.370 5.202 2.677 0.000 0.000 -0.000 3/26880 480.0 2.318 5.090 2.619 0.000 0.000 -0.000 3/26880 490.0 2.268 4.983 2.564 0.000 0.000 -0.000 3/26880 500.0 2.220 4.880 2.511 0.000 0.000 -0.000 3/26880 510.0 2.175 4.782 2.460 0.000 0.000 -0.000 3/26880 520.0 2.131 4.687 2.411 0.000 0.000 -0.000 3/26880 530.0 2.089 4.596 2.364 0.000 0.000 -0.000 3/26880 540.0 2.049 4.509 2.319 0.000 0.000 -0.000 3/26880 550.0 2.010 4.425 2.275 0.000 0.000 -0.000 3/26880 560.0 1.973 4.345 2.233 0.000 0.000 -0.000 3/26880 570.0 1.937 4.267 2.193 0.000 0.000 -0.000 3/26880 580.0 1.903 4.192 2.154 0.000 0.000 -0.000 3/26880 590.0 1.869 4.119 2.117 0.000 0.000 -0.000 3/26880 600.0 1.837 4.050 2.081 0.000 0.000 -0.000 3/26880 610.0 1.806 3.982 2.046 0.000 0.000 -0.000 3/26880 620.0 1.776 3.917 2.012 0.000 0.000 -0.000 3/26880 630.0 1.747 3.854 1.980 0.000 0.000 -0.000 3/26880 640.0 1.719 3.793 1.948 0.000 0.000 -0.000 3/26880 650.0 1.692 3.733 1.917 0.000 0.000 -0.000 3/26880 660.0 1.665 3.676 1.888 0.000 0.000 -0.000 3/26880 670.0 1.640 3.620 1.859 0.000 0.000 -0.000 3/26880 680.0 1.615 3.567 1.831 0.000 0.000 -0.000 3/26880 690.0 1.591 3.514 1.804 0.000 0.000 -0.000 3/26880 700.0 1.568 3.463 1.778 0.000 0.000 -0.000 3/26880 710.0 1.545 3.414 1.753 0.000 0.000 -0.000 3/26880 720.0 1.524 3.366 1.728 0.000 0.000 -0.000 3/26880 730.0 1.502 3.320 1.704 0.000 0.000 -0.000 3/26880 740.0 1.482 3.274 1.681 0.000 0.000 -0.000 3/26880 750.0 1.461 3.230 1.658 0.000 0.000 -0.000 3/26880 760.0 1.442 3.187 1.636 0.000 0.000 -0.000 3/26880 770.0 1.423 3.146 1.614 0.000 0.000 -0.000 3/26880 780.0 1.404 3.105 1.593 0.000 0.000 -0.000 3/26880 790.0 1.386 3.065 1.573 0.000 0.000 -0.000 3/26880 800.0 1.368 3.027 1.553 0.000 0.000 -0.000 3/26880 810.0 1.351 2.989 1.534 0.000 0.000 -0.000 3/26880 820.0 1.335 2.952 1.515 0.000 0.000 -0.000 3/26880 830.0 1.318 2.917 1.496 0.000 0.000 -0.000 3/26880 840.0 1.302 2.882 1.478 0.000 0.000 -0.000 3/26880 850.0 1.287 2.847 1.461 0.000 0.000 -0.000 3/26880 860.0 1.272 2.814 1.443 0.000 0.000 -0.000 3/26880 870.0 1.257 2.782 1.427 0.000 0.000 -0.000 3/26880 880.0 1.242 2.750 1.410 0.000 0.000 -0.000 3/26880 890.0 1.228 2.719 1.394 0.000 0.000 -0.000 3/26880 900.0 1.214 2.688 1.379 0.000 0.000 -0.000 3/26880 910.0 1.201 2.659 1.363 0.000 0.000 -0.000 3/26880 920.0 1.188 2.630 1.348 0.000 0.000 -0.000 3/26880 930.0 1.175 2.601 1.334 0.000 0.000 -0.000 3/26880 940.0 1.162 2.573 1.320 0.000 0.000 -0.000 3/26880 950.0 1.150 2.546 1.306 0.000 0.000 -0.000 3/26880 960.0 1.138 2.520 1.292 0.000 0.000 -0.000 3/26880 970.0 1.126 2.493 1.278 0.000 0.000 -0.000 3/26880 980.0 1.114 2.468 1.265 0.000 0.000 -0.000 3/26880 990.0 1.103 2.443 1.252 0.000 0.000 -0.000 3/26880 1000.0 1.092 2.418 1.240 0.000 0.000 -0.000 3/26880 Thermal conductivity related properties were written into "kappa-m5144.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 22:43:37]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|