----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-08 03:30:19]------------------------- 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: [2 2 1] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: Pnma (62) Number of symmetry operations in supercell: 32 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 7.509186040000000 0.000000000000000 0.000000000000000 b 0.000000000000000 5.783222180000000 0.000000000000000 c 0.000000000000000 0.000000000000000 10.233703210000000 Atomic positions (fractional): *1 O 0.69136392234484 0.98333219547266 0.14984617498891 15.999 2 O 0.30863607765516 0.48333219547266 0.85015382501109 15.999 3 O 0.19136392234484 0.51666780452734 0.35015382501109 15.999 4 O 0.80863607765516 0.01666780452734 0.64984617498891 15.999 5 O 0.30863607765516 0.01666780452734 0.85015382501109 15.999 6 O 0.69136392234484 0.51666780452734 0.14984617498891 15.999 7 O 0.80863607765516 0.48333219547266 0.64984617498891 15.999 8 O 0.19136392234484 0.98333219547266 0.35015382501109 15.999 *9 O 0.30732599327572 0.25000000000000 0.07222064154155 15.999 10 O 0.69267400672428 0.75000000000000 0.92777935845845 15.999 11 O 0.80732599327572 0.25000000000000 0.42777935845845 15.999 12 O 0.19267400672428 0.75000000000000 0.57222064154155 15.999 *13 O 0.49001952867717 0.75000000000000 0.41565484950726 15.999 14 O 0.50998047132283 0.25000000000000 0.58434515049274 15.999 15 O 0.99001952867717 0.75000000000000 0.08434515049274 15.999 16 O 0.00998047132283 0.25000000000000 0.91565484950726 15.999 *17 Si 0.22825852761012 0.25000000000000 0.92070886116785 28.085 18 Si 0.77174147238988 0.75000000000000 0.07929113883215 28.085 19 Si 0.72825852761012 0.25000000000000 0.57929113883215 28.085 20 Si 0.27174147238988 0.75000000000000 0.42070886116785 28.085 *21 Ba 0.99098801516685 0.25000000000000 0.19327943627708 137.327 22 Ba 0.00901198483315 0.75000000000000 0.80672056372292 137.327 23 Ba 0.49098801516685 0.25000000000000 0.30672056372292 137.327 24 Ba 0.50901198483315 0.75000000000000 0.69327943627708 137.327 *25 Ba 0.15878794248262 0.25000000000000 0.58367492228268 137.327 26 Ba 0.84121205751738 0.75000000000000 0.41632507771732 137.327 27 Ba 0.65878794248262 0.25000000000000 0.91632507771732 137.327 28 Ba 0.34121205751738 0.75000000000000 0.08367492228268 137.327 -------------------------------- unit cell --------------------------------- Lattice vectors: a 7.509186040000000 0.000000000000000 0.000000000000000 b 0.000000000000000 5.783222180000000 0.000000000000000 c 0.000000000000000 0.000000000000000 10.233703210000000 Atomic positions (fractional): *1 O 0.69136392234484 0.98333219547266 0.14984617498891 15.999 > 1 2 O 0.30863607765516 0.48333219547266 0.85015382501109 15.999 > 2 3 O 0.19136392234484 0.51666780452734 0.35015382501109 15.999 > 3 4 O 0.80863607765516 0.01666780452734 0.64984617498891 15.999 > 4 5 O 0.30863607765516 0.01666780452734 0.85015382501109 15.999 > 5 6 O 0.69136392234484 0.51666780452734 0.14984617498891 15.999 > 6 7 O 0.80863607765516 0.48333219547266 0.64984617498891 15.999 > 7 8 O 0.19136392234484 0.98333219547266 0.35015382501109 15.999 > 8 *9 O 0.30732599327572 0.25000000000000 0.07222064154155 15.999 > 9 10 O 0.69267400672428 0.75000000000000 0.92777935845845 15.999 > 10 11 O 0.80732599327572 0.25000000000000 0.42777935845845 15.999 > 11 12 O 0.19267400672428 0.75000000000000 0.57222064154155 15.999 > 12 *13 O 0.49001952867717 0.75000000000000 0.41565484950726 15.999 > 13 14 O 0.50998047132283 0.25000000000000 0.58434515049274 15.999 > 14 15 O 0.99001952867717 0.75000000000000 0.08434515049274 15.999 > 15 16 O 0.00998047132283 0.25000000000000 0.91565484950726 15.999 > 16 *17 Si 0.22825852761012 0.25000000000000 0.92070886116785 28.085 > 17 18 Si 0.77174147238988 0.75000000000000 0.07929113883215 28.085 > 18 19 Si 0.72825852761012 0.25000000000000 0.57929113883215 28.085 > 19 20 Si 0.27174147238988 0.75000000000000 0.42070886116785 28.085 > 20 *21 Ba 0.99098801516685 0.25000000000000 0.19327943627708 137.327 > 21 22 Ba 0.00901198483315 0.75000000000000 0.80672056372292 137.327 > 22 23 Ba 0.49098801516685 0.25000000000000 0.30672056372292 137.327 > 23 24 Ba 0.50901198483315 0.75000000000000 0.69327943627708 137.327 > 24 *25 Ba 0.15878794248262 0.25000000000000 0.58367492228268 137.327 > 25 26 Ba 0.84121205751738 0.75000000000000 0.41632507771732 137.327 > 26 27 Ba 0.65878794248262 0.25000000000000 0.91632507771732 137.327 > 27 28 Ba 0.34121205751738 0.75000000000000 0.08367492228268 137.327 > 28 -------------------------------- super cell -------------------------------- Lattice vectors: a 15.018372080000001 0.000000000000000 0.000000000000000 b 0.000000000000000 11.566444360000000 0.000000000000000 c 0.000000000000000 0.000000000000000 10.233703210000000 Atomic positions (fractional): *1 O 0.34568196117242 0.49166609773633 0.14984617498891 15.999 > 1 2 O 0.84568196117242 0.49166609773633 0.14984617498891 15.999 > 1 3 O 0.34568196117242 0.99166609773633 0.14984617498891 15.999 > 1 4 O 0.84568196117242 0.99166609773633 0.14984617498891 15.999 > 1 5 O 0.15431803882758 0.24166609773633 0.85015382501109 15.999 > 2 6 O 0.65431803882758 0.24166609773633 0.85015382501109 15.999 > 2 7 O 0.15431803882758 0.74166609773633 0.85015382501109 15.999 > 2 8 O 0.65431803882758 0.74166609773633 0.85015382501109 15.999 > 2 9 O 0.09568196117242 0.25833390226367 0.35015382501109 15.999 > 3 10 O 0.59568196117242 0.25833390226367 0.35015382501109 15.999 > 3 11 O 0.09568196117242 0.75833390226367 0.35015382501109 15.999 > 3 12 O 0.59568196117242 0.75833390226367 0.35015382501109 15.999 > 3 13 O 0.40431803882758 0.00833390226367 0.64984617498891 15.999 > 4 14 O 0.90431803882758 0.00833390226367 0.64984617498891 15.999 > 4 15 O 0.40431803882758 0.50833390226367 0.64984617498891 15.999 > 4 16 O 0.90431803882758 0.50833390226367 0.64984617498891 15.999 > 4 17 O 0.15431803882758 0.00833390226367 0.85015382501109 15.999 > 5 18 O 0.65431803882758 0.00833390226367 0.85015382501109 15.999 > 5 19 O 0.15431803882758 0.50833390226367 0.85015382501109 15.999 > 5 20 O 0.65431803882758 0.50833390226367 0.85015382501109 15.999 > 5 21 O 0.34568196117242 0.25833390226367 0.14984617498891 15.999 > 6 22 O 0.84568196117242 0.25833390226367 0.14984617498891 15.999 > 6 23 O 0.34568196117242 0.75833390226367 0.14984617498891 15.999 > 6 24 O 0.84568196117242 0.75833390226367 0.14984617498891 15.999 > 6 25 O 0.40431803882758 0.24166609773633 0.64984617498891 15.999 > 7 26 O 0.90431803882758 0.24166609773633 0.64984617498891 15.999 > 7 27 O 0.40431803882758 0.74166609773633 0.64984617498891 15.999 > 7 28 O 0.90431803882758 0.74166609773633 0.64984617498891 15.999 > 7 29 O 0.09568196117242 0.49166609773633 0.35015382501109 15.999 > 8 30 O 0.59568196117242 0.49166609773633 0.35015382501109 15.999 > 8 31 O 0.09568196117242 0.99166609773633 0.35015382501109 15.999 > 8 32 O 0.59568196117242 0.99166609773633 0.35015382501109 15.999 > 8 *33 O 0.15366299663786 0.12500000000000 0.07222064154155 15.999 > 9 34 O 0.65366299663786 0.12500000000000 0.07222064154155 15.999 > 9 35 O 0.15366299663786 0.62500000000000 0.07222064154155 15.999 > 9 36 O 0.65366299663786 0.62500000000000 0.07222064154155 15.999 > 9 37 O 0.34633700336214 0.37500000000000 0.92777935845845 15.999 > 10 38 O 0.84633700336214 0.37500000000000 0.92777935845845 15.999 > 10 39 O 0.34633700336214 0.87500000000000 0.92777935845845 15.999 > 10 40 O 0.84633700336214 0.87500000000000 0.92777935845845 15.999 > 10 41 O 0.40366299663786 0.12500000000000 0.42777935845845 15.999 > 11 42 O 0.90366299663786 0.12500000000000 0.42777935845845 15.999 > 11 43 O 0.40366299663786 0.62500000000000 0.42777935845845 15.999 > 11 44 O 0.90366299663786 0.62500000000000 0.42777935845845 15.999 > 11 45 O 0.09633700336214 0.37500000000000 0.57222064154155 15.999 > 12 46 O 0.59633700336214 0.37500000000000 0.57222064154155 15.999 > 12 47 O 0.09633700336214 0.87500000000000 0.57222064154155 15.999 > 12 48 O 0.59633700336214 0.87500000000000 0.57222064154155 15.999 > 12 *49 O 0.24500976433859 0.37500000000000 0.41565484950726 15.999 > 13 50 O 0.74500976433859 0.37500000000000 0.41565484950726 15.999 > 13 51 O 0.24500976433859 0.87500000000000 0.41565484950726 15.999 > 13 52 O 0.74500976433859 0.87500000000000 0.41565484950726 15.999 > 13 53 O 0.25499023566141 0.12500000000000 0.58434515049274 15.999 > 14 54 O 0.75499023566141 0.12500000000000 0.58434515049274 15.999 > 14 55 O 0.25499023566141 0.62500000000000 0.58434515049274 15.999 > 14 56 O 0.75499023566141 0.62500000000000 0.58434515049274 15.999 > 14 57 O 0.49500976433859 0.37500000000000 0.08434515049274 15.999 > 15 58 O 0.99500976433859 0.37500000000000 0.08434515049274 15.999 > 15 59 O 0.49500976433859 0.87500000000000 0.08434515049274 15.999 > 15 60 O 0.99500976433859 0.87500000000000 0.08434515049274 15.999 > 15 61 O 0.00499023566141 0.12500000000000 0.91565484950726 15.999 > 16 62 O 0.50499023566141 0.12500000000000 0.91565484950726 15.999 > 16 63 O 0.00499023566141 0.62500000000000 0.91565484950726 15.999 > 16 64 O 0.50499023566141 0.62500000000000 0.91565484950726 15.999 > 16 *65 Si 0.11412926380506 0.12500000000000 0.92070886116785 28.085 > 17 66 Si 0.61412926380506 0.12500000000000 0.92070886116785 28.085 > 17 67 Si 0.11412926380506 0.62500000000000 0.92070886116785 28.085 > 17 68 Si 0.61412926380506 0.62500000000000 0.92070886116785 28.085 > 17 69 Si 0.38587073619494 0.37500000000000 0.07929113883215 28.085 > 18 70 Si 0.88587073619494 0.37500000000000 0.07929113883215 28.085 > 18 71 Si 0.38587073619494 0.87500000000000 0.07929113883215 28.085 > 18 72 Si 0.88587073619494 0.87500000000000 0.07929113883215 28.085 > 18 73 Si 0.36412926380506 0.12500000000000 0.57929113883215 28.085 > 19 74 Si 0.86412926380506 0.12500000000000 0.57929113883215 28.085 > 19 75 Si 0.36412926380506 0.62500000000000 0.57929113883215 28.085 > 19 76 Si 0.86412926380506 0.62500000000000 0.57929113883215 28.085 > 19 77 Si 0.13587073619494 0.37500000000000 0.42070886116785 28.085 > 20 78 Si 0.63587073619494 0.37500000000000 0.42070886116785 28.085 > 20 79 Si 0.13587073619494 0.87500000000000 0.42070886116785 28.085 > 20 80 Si 0.63587073619494 0.87500000000000 0.42070886116785 28.085 > 20 *81 Ba 0.49549400758342 0.12500000000000 0.19327943627708 137.327 > 21 82 Ba 0.99549400758342 0.12500000000000 0.19327943627708 137.327 > 21 83 Ba 0.49549400758342 0.62500000000000 0.19327943627708 137.327 > 21 84 Ba 0.99549400758342 0.62500000000000 0.19327943627708 137.327 > 21 85 Ba 0.00450599241658 0.37500000000000 0.80672056372292 137.327 > 22 86 Ba 0.50450599241658 0.37500000000000 0.80672056372292 137.327 > 22 87 Ba 0.00450599241658 0.87500000000000 0.80672056372292 137.327 > 22 88 Ba 0.50450599241658 0.87500000000000 0.80672056372292 137.327 > 22 89 Ba 0.24549400758342 0.12500000000000 0.30672056372292 137.327 > 23 90 Ba 0.74549400758342 0.12500000000000 0.30672056372292 137.327 > 23 91 Ba 0.24549400758342 0.62500000000000 0.30672056372292 137.327 > 23 92 Ba 0.74549400758342 0.62500000000000 0.30672056372292 137.327 > 23 93 Ba 0.25450599241658 0.37500000000000 0.69327943627708 137.327 > 24 94 Ba 0.75450599241658 0.37500000000000 0.69327943627708 137.327 > 24 95 Ba 0.25450599241658 0.87500000000000 0.69327943627708 137.327 > 24 96 Ba 0.75450599241658 0.87500000000000 0.69327943627708 137.327 > 24 *97 Ba 0.07939397124131 0.12500000000000 0.58367492228268 137.327 > 25 98 Ba 0.57939397124131 0.12500000000000 0.58367492228268 137.327 > 25 99 Ba 0.07939397124131 0.62500000000000 0.58367492228268 137.327 > 25 100 Ba 0.57939397124131 0.62500000000000 0.58367492228268 137.327 > 25 101 Ba 0.42060602875869 0.37500000000000 0.41632507771732 137.327 > 26 102 Ba 0.92060602875869 0.37500000000000 0.41632507771732 137.327 > 26 103 Ba 0.42060602875869 0.87500000000000 0.41632507771732 137.327 > 26 104 Ba 0.92060602875869 0.87500000000000 0.41632507771732 137.327 > 26 105 Ba 0.32939397124131 0.12500000000000 0.91632507771732 137.327 > 27 106 Ba 0.82939397124131 0.12500000000000 0.91632507771732 137.327 > 27 107 Ba 0.32939397124131 0.62500000000000 0.91632507771732 137.327 > 27 108 Ba 0.82939397124131 0.62500000000000 0.91632507771732 137.327 > 27 109 Ba 0.17060602875869 0.37500000000000 0.08367492228268 137.327 > 28 110 Ba 0.67060602875869 0.37500000000000 0.08367492228268 137.327 > 28 111 Ba 0.17060602875869 0.87500000000000 0.08367492228268 137.327 > 28 112 Ba 0.67060602875869 0.87500000000000 0.08367492228268 137.327 > 28 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 3.7178567 0.0000000 0.0000000 0.0000000 3.6153952 0.0000000 0.0000000 0.0000000 3.5885186 -------------------------- Born effective charges -------------------------- 1 O -1.9786024 0.1923787 0.1297787 0.2150079 -2.3311016 -0.3349480 0.1070183 -0.3442477 -1.9239629 2 O -1.9786024 -0.1923787 0.1297787 -0.2150079 -2.3311016 0.3349480 0.1070183 0.3442477 -1.9239629 3 O -1.9786024 -0.1923787 -0.1297787 -0.2150079 -2.3311016 -0.3349480 -0.1070183 -0.3442477 -1.9239629 4 O -1.9786024 0.1923787 -0.1297787 0.2150079 -2.3311016 0.3349480 -0.1070183 0.3442477 -1.9239629 5 O -1.9786024 0.1923787 0.1297787 0.2150079 -2.3311016 -0.3349480 0.1070183 -0.3442477 -1.9239629 6 O -1.9786024 -0.1923787 0.1297787 -0.2150079 -2.3311016 0.3349480 0.1070183 0.3442477 -1.9239629 7 O -1.9786024 -0.1923787 -0.1297787 -0.2150079 -2.3311016 -0.3349480 -0.1070183 -0.3442477 -1.9239629 8 O -1.9786024 0.1923787 -0.1297787 0.2150079 -2.3311016 0.3349480 -0.1070183 0.3442477 -1.9239629 9 O -1.9736756 0.0000000 -0.2037458 0.0000000 -1.8951699 0.0000000 -0.1824372 0.0000000 -2.4506488 10 O -1.9736756 0.0000000 -0.2037458 0.0000000 -1.8951699 0.0000000 -0.1824372 0.0000000 -2.4506488 11 O -1.9736756 0.0000000 0.2037458 0.0000000 -1.8951699 0.0000000 0.1824372 0.0000000 -2.4506488 12 O -1.9736756 0.0000000 0.2037458 0.0000000 -1.8951699 0.0000000 0.1824372 0.0000000 -2.4506488 13 O -2.8045005 0.0000000 -0.0451626 0.0000000 -1.6436967 0.0000000 -0.0230310 0.0000000 -1.6822641 14 O -2.8045005 0.0000000 -0.0451626 0.0000000 -1.6436967 0.0000000 -0.0230310 0.0000000 -1.6822641 15 O -2.8045005 0.0000000 0.0451626 0.0000000 -1.6436967 0.0000000 0.0230310 0.0000000 -1.6822641 16 O -2.8045005 0.0000000 0.0451626 0.0000000 -1.6436967 0.0000000 0.0230310 0.0000000 -1.6822641 17 Si 2.9253763 0.0000000 0.0107977 0.0000000 2.9105126 0.0000000 0.0311247 0.0000000 2.5899550 18 Si 2.9253763 0.0000000 0.0107977 0.0000000 2.9105126 0.0000000 0.0311247 0.0000000 2.5899550 19 Si 2.9253763 0.0000000 -0.0107977 0.0000000 2.9105126 0.0000000 -0.0311247 0.0000000 2.5899550 20 Si 2.9253763 0.0000000 -0.0107977 0.0000000 2.9105126 0.0000000 -0.0311247 0.0000000 2.5899550 21 Ba 2.8279690 0.0000000 0.0705853 0.0000000 2.5707831 0.0000000 0.0960279 0.0000000 2.8092175 22 Ba 2.8279690 0.0000000 0.0705853 0.0000000 2.5707831 0.0000000 0.0960279 0.0000000 2.8092175 23 Ba 2.8279690 0.0000000 -0.0705853 0.0000000 2.5707831 0.0000000 -0.0960279 0.0000000 2.8092175 24 Ba 2.8279690 0.0000000 -0.0705853 0.0000000 2.5707831 0.0000000 -0.0960279 0.0000000 2.8092175 25 Ba 2.9820356 0.0000000 -0.0266632 0.0000000 2.7197740 0.0000000 0.0191961 0.0000000 2.5816662 26 Ba 2.9820356 0.0000000 -0.0266632 0.0000000 2.7197740 0.0000000 0.0191961 0.0000000 2.5816662 27 Ba 2.9820356 0.0000000 0.0266632 0.0000000 2.7197740 0.0000000 -0.0191961 0.0000000 2.5816662 28 Ba 2.9820356 0.0000000 0.0266632 0.0000000 2.7197740 0.0000000 -0.0191961 0.0000000 2.5816662 ---------------------------------------------------------------------------- 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: 336/336 Permutation basis: 14448/14448 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 1898 Number of blocks in projector: 1898 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: 492 Use standard eigh solver. --- Eigsh_solver_block: 2 / 6 --- Block_size: 292 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 292 Use standard eigh solver. --- Eigsh_solver_block: 4 / 6 --- Block_size: 274 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 274 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 274 Use standard eigh solver. Tree of FC basis block matrices: - (1898, 1864), data: False |-- (274, 268), data: True |-- (274, 268), data: True |-- (274, 268), data: True |-- (292, 290), data: True |-- (292, 290), data: True |-- (492, 480), data: True ----- Solver_atoms: 1 -- 112 / 112 Time (Solver_compr_matrix_reshape): 0.003 Solver_block: 100 / 480 - Time: 3.395 Solver_block: 200 / 480 - Time: 3.922 Solver_block: 300 / 480 - Time: 3.242 Solver_block: 400 / 480 - Time: 3.568 Solver_block: 480 / 480 - Time: 3.110 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 17.465 --------------------------------- Symfc end -------------------------------- Max drift of force constants: -0.00000000 (xx) -0.00000000 (xx) Permutation basis: 336/336 Permutation basis: 14448/14448 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 1898 Number of blocks in projector: 1898 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: 492 Use standard eigh solver. --- Eigsh_solver_block: 2 / 6 --- Block_size: 292 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 292 Use standard eigh solver. --- Eigsh_solver_block: 4 / 6 --- Block_size: 274 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 274 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 274 Use standard eigh solver. Tree of FC basis block matrices: - (1898, 1864), data: False |-- (274, 268), data: True |-- (274, 268), data: True |-- (274, 268), data: True |-- (292, 290), data: True |-- (292, 290), data: True |-- (492, 480), data: True Max drift after symmetrization by symfc projector: 0.00000000 (zz) 0.00000000 (zz) Force constants are written into "force_constants.hdf5". ---------------------------------------------------------------------------- One of the following run modes may be specified for phonon calculations. - Mesh sampling (MESH, --mesh) - Q-points (QPOINTS, --qpoints) - Band structure (BAND, --band) - Animation (ANIME, --anime) - Modulation (MODULATION, --modulation) - Characters of Irreps (IRREPS, --irreps) - Create displacements (CREATE_DISPLACEMENTS, -d) ---------------------------------------------------------------------------- Summary of calculation was written in "phonopy.yaml". -------------------------[time 2026-01-08 03:31:07]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 03:31:08]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: force constants HDF5 data compression filter: gzip Crystal structure was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". Supercell (dim): [2 2 1] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: Pnma (62) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 7.509186040000000 0.000000000000000 0.000000000000000 b 0.000000000000000 5.783222180000000 0.000000000000000 c 0.000000000000000 0.000000000000000 10.233703210000000 Atomic positions (fractional): 1 O 0.69136392234484 0.98333219547266 0.14984617498891 15.999 2 O 0.30863607765516 0.48333219547266 0.85015382501109 15.999 3 O 0.19136392234484 0.51666780452734 0.35015382501109 15.999 4 O 0.80863607765516 0.01666780452734 0.64984617498891 15.999 5 O 0.30863607765516 0.01666780452734 0.85015382501109 15.999 6 O 0.69136392234484 0.51666780452734 0.14984617498891 15.999 7 O 0.80863607765516 0.48333219547266 0.64984617498891 15.999 8 O 0.19136392234484 0.98333219547266 0.35015382501109 15.999 9 O 0.30732599327572 0.25000000000000 0.07222064154155 15.999 10 O 0.69267400672428 0.75000000000000 0.92777935845845 15.999 11 O 0.80732599327572 0.25000000000000 0.42777935845845 15.999 12 O 0.19267400672428 0.75000000000000 0.57222064154155 15.999 13 O 0.49001952867717 0.75000000000000 0.41565484950726 15.999 14 O 0.50998047132283 0.25000000000000 0.58434515049274 15.999 15 O 0.99001952867717 0.75000000000000 0.08434515049274 15.999 16 O 0.00998047132283 0.25000000000000 0.91565484950726 15.999 17 Si 0.22825852761012 0.25000000000000 0.92070886116785 28.085 18 Si 0.77174147238988 0.75000000000000 0.07929113883215 28.085 19 Si 0.72825852761012 0.25000000000000 0.57929113883215 28.085 20 Si 0.27174147238988 0.75000000000000 0.42070886116785 28.085 21 Ba 0.99098801516685 0.25000000000000 0.19327943627708 137.327 22 Ba 0.00901198483315 0.75000000000000 0.80672056372292 137.327 23 Ba 0.49098801516685 0.25000000000000 0.30672056372292 137.327 24 Ba 0.50901198483315 0.75000000000000 0.69327943627708 137.327 25 Ba 0.15878794248262 0.25000000000000 0.58367492228268 137.327 26 Ba 0.84121205751738 0.75000000000000 0.41632507771732 137.327 27 Ba 0.65878794248262 0.25000000000000 0.91632507771732 137.327 28 Ba 0.34121205751738 0.75000000000000 0.08367492228268 137.327 -------------------------------- supercell --------------------------------- Lattice vectors: a 15.018372080000001 0.000000000000000 0.000000000000000 b 0.000000000000000 11.566444360000000 0.000000000000000 c 0.000000000000000 0.000000000000000 10.233703210000000 Atomic positions (fractional): 1 O 0.34568196117242 0.49166609773633 0.14984617498891 15.999 > 1 2 O 0.84568196117242 0.49166609773633 0.14984617498891 15.999 > 1 3 O 0.34568196117242 0.99166609773633 0.14984617498891 15.999 > 1 4 O 0.84568196117242 0.99166609773633 0.14984617498891 15.999 > 1 5 O 0.15431803882758 0.24166609773633 0.85015382501109 15.999 > 5 6 O 0.65431803882758 0.24166609773633 0.85015382501109 15.999 > 5 7 O 0.15431803882758 0.74166609773633 0.85015382501109 15.999 > 5 8 O 0.65431803882758 0.74166609773633 0.85015382501109 15.999 > 5 9 O 0.09568196117242 0.25833390226367 0.35015382501109 15.999 > 9 10 O 0.59568196117242 0.25833390226367 0.35015382501109 15.999 > 9 11 O 0.09568196117242 0.75833390226367 0.35015382501109 15.999 > 9 12 O 0.59568196117242 0.75833390226367 0.35015382501109 15.999 > 9 13 O 0.40431803882758 0.00833390226367 0.64984617498891 15.999 > 13 14 O 0.90431803882758 0.00833390226367 0.64984617498891 15.999 > 13 15 O 0.40431803882758 0.50833390226367 0.64984617498891 15.999 > 13 16 O 0.90431803882758 0.50833390226367 0.64984617498891 15.999 > 13 17 O 0.15431803882758 0.00833390226367 0.85015382501109 15.999 > 17 18 O 0.65431803882758 0.00833390226367 0.85015382501109 15.999 > 17 19 O 0.15431803882758 0.50833390226367 0.85015382501109 15.999 > 17 20 O 0.65431803882758 0.50833390226367 0.85015382501109 15.999 > 17 21 O 0.34568196117242 0.25833390226367 0.14984617498891 15.999 > 21 22 O 0.84568196117242 0.25833390226367 0.14984617498891 15.999 > 21 23 O 0.34568196117242 0.75833390226367 0.14984617498891 15.999 > 21 24 O 0.84568196117242 0.75833390226367 0.14984617498891 15.999 > 21 25 O 0.40431803882758 0.24166609773633 0.64984617498891 15.999 > 25 26 O 0.90431803882758 0.24166609773633 0.64984617498891 15.999 > 25 27 O 0.40431803882758 0.74166609773633 0.64984617498891 15.999 > 25 28 O 0.90431803882758 0.74166609773633 0.64984617498891 15.999 > 25 29 O 0.09568196117242 0.49166609773633 0.35015382501109 15.999 > 29 30 O 0.59568196117242 0.49166609773633 0.35015382501109 15.999 > 29 31 O 0.09568196117242 0.99166609773633 0.35015382501109 15.999 > 29 32 O 0.59568196117242 0.99166609773633 0.35015382501109 15.999 > 29 33 O 0.15366299663786 0.12500000000000 0.07222064154155 15.999 > 33 34 O 0.65366299663786 0.12500000000000 0.07222064154155 15.999 > 33 35 O 0.15366299663786 0.62500000000000 0.07222064154155 15.999 > 33 36 O 0.65366299663786 0.62500000000000 0.07222064154155 15.999 > 33 37 O 0.34633700336214 0.37500000000000 0.92777935845845 15.999 > 37 38 O 0.84633700336214 0.37500000000000 0.92777935845845 15.999 > 37 39 O 0.34633700336214 0.87500000000000 0.92777935845845 15.999 > 37 40 O 0.84633700336214 0.87500000000000 0.92777935845845 15.999 > 37 41 O 0.40366299663786 0.12500000000000 0.42777935845845 15.999 > 41 42 O 0.90366299663786 0.12500000000000 0.42777935845845 15.999 > 41 43 O 0.40366299663786 0.62500000000000 0.42777935845845 15.999 > 41 44 O 0.90366299663786 0.62500000000000 0.42777935845845 15.999 > 41 45 O 0.09633700336214 0.37500000000000 0.57222064154155 15.999 > 45 46 O 0.59633700336214 0.37500000000000 0.57222064154155 15.999 > 45 47 O 0.09633700336214 0.87500000000000 0.57222064154155 15.999 > 45 48 O 0.59633700336214 0.87500000000000 0.57222064154155 15.999 > 45 49 O 0.24500976433859 0.37500000000000 0.41565484950726 15.999 > 49 50 O 0.74500976433859 0.37500000000000 0.41565484950726 15.999 > 49 51 O 0.24500976433859 0.87500000000000 0.41565484950726 15.999 > 49 52 O 0.74500976433859 0.87500000000000 0.41565484950726 15.999 > 49 53 O 0.25499023566141 0.12500000000000 0.58434515049274 15.999 > 53 54 O 0.75499023566141 0.12500000000000 0.58434515049274 15.999 > 53 55 O 0.25499023566141 0.62500000000000 0.58434515049274 15.999 > 53 56 O 0.75499023566141 0.62500000000000 0.58434515049274 15.999 > 53 57 O 0.49500976433859 0.37500000000000 0.08434515049274 15.999 > 57 58 O 0.99500976433859 0.37500000000000 0.08434515049274 15.999 > 57 59 O 0.49500976433859 0.87500000000000 0.08434515049274 15.999 > 57 60 O 0.99500976433859 0.87500000000000 0.08434515049274 15.999 > 57 61 O 0.00499023566141 0.12500000000000 0.91565484950726 15.999 > 61 62 O 0.50499023566141 0.12500000000000 0.91565484950726 15.999 > 61 63 O 0.00499023566141 0.62500000000000 0.91565484950726 15.999 > 61 64 O 0.50499023566141 0.62500000000000 0.91565484950726 15.999 > 61 65 Si 0.11412926380506 0.12500000000000 0.92070886116785 28.085 > 65 66 Si 0.61412926380506 0.12500000000000 0.92070886116785 28.085 > 65 67 Si 0.11412926380506 0.62500000000000 0.92070886116785 28.085 > 65 68 Si 0.61412926380506 0.62500000000000 0.92070886116785 28.085 > 65 69 Si 0.38587073619494 0.37500000000000 0.07929113883215 28.085 > 69 70 Si 0.88587073619494 0.37500000000000 0.07929113883215 28.085 > 69 71 Si 0.38587073619494 0.87500000000000 0.07929113883215 28.085 > 69 72 Si 0.88587073619494 0.87500000000000 0.07929113883215 28.085 > 69 73 Si 0.36412926380506 0.12500000000000 0.57929113883215 28.085 > 73 74 Si 0.86412926380506 0.12500000000000 0.57929113883215 28.085 > 73 75 Si 0.36412926380506 0.62500000000000 0.57929113883215 28.085 > 73 76 Si 0.86412926380506 0.62500000000000 0.57929113883215 28.085 > 73 77 Si 0.13587073619494 0.37500000000000 0.42070886116785 28.085 > 77 78 Si 0.63587073619494 0.37500000000000 0.42070886116785 28.085 > 77 79 Si 0.13587073619494 0.87500000000000 0.42070886116785 28.085 > 77 80 Si 0.63587073619494 0.87500000000000 0.42070886116785 28.085 > 77 81 Ba 0.49549400758342 0.12500000000000 0.19327943627708 137.327 > 81 82 Ba 0.99549400758342 0.12500000000000 0.19327943627708 137.327 > 81 83 Ba 0.49549400758342 0.62500000000000 0.19327943627708 137.327 > 81 84 Ba 0.99549400758342 0.62500000000000 0.19327943627708 137.327 > 81 85 Ba 0.00450599241658 0.37500000000000 0.80672056372292 137.327 > 85 86 Ba 0.50450599241658 0.37500000000000 0.80672056372292 137.327 > 85 87 Ba 0.00450599241658 0.87500000000000 0.80672056372292 137.327 > 85 88 Ba 0.50450599241658 0.87500000000000 0.80672056372292 137.327 > 85 89 Ba 0.24549400758342 0.12500000000000 0.30672056372292 137.327 > 89 90 Ba 0.74549400758342 0.12500000000000 0.30672056372292 137.327 > 89 91 Ba 0.24549400758342 0.62500000000000 0.30672056372292 137.327 > 89 92 Ba 0.74549400758342 0.62500000000000 0.30672056372292 137.327 > 89 93 Ba 0.25450599241658 0.37500000000000 0.69327943627708 137.327 > 93 94 Ba 0.75450599241658 0.37500000000000 0.69327943627708 137.327 > 93 95 Ba 0.25450599241658 0.87500000000000 0.69327943627708 137.327 > 93 96 Ba 0.75450599241658 0.87500000000000 0.69327943627708 137.327 > 93 97 Ba 0.07939397124131 0.12500000000000 0.58367492228268 137.327 > 97 98 Ba 0.57939397124131 0.12500000000000 0.58367492228268 137.327 > 97 99 Ba 0.07939397124131 0.62500000000000 0.58367492228268 137.327 > 97 100 Ba 0.57939397124131 0.62500000000000 0.58367492228268 137.327 > 97 101 Ba 0.42060602875869 0.37500000000000 0.41632507771732 137.327 > 101 102 Ba 0.92060602875869 0.37500000000000 0.41632507771732 137.327 > 101 103 Ba 0.42060602875869 0.87500000000000 0.41632507771732 137.327 > 101 104 Ba 0.92060602875869 0.87500000000000 0.41632507771732 137.327 > 101 105 Ba 0.32939397124131 0.12500000000000 0.91632507771732 137.327 > 105 106 Ba 0.82939397124131 0.12500000000000 0.91632507771732 137.327 > 105 107 Ba 0.32939397124131 0.62500000000000 0.91632507771732 137.327 > 105 108 Ba 0.82939397124131 0.62500000000000 0.91632507771732 137.327 > 105 109 Ba 0.17060602875869 0.37500000000000 0.08367492228268 137.327 > 109 110 Ba 0.67060602875869 0.37500000000000 0.08367492228268 137.327 > 109 111 Ba 0.17060602875869 0.87500000000000 0.08367492228268 137.327 > 109 112 Ba 0.67060602875869 0.87500000000000 0.08367492228268 137.327 > 109 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 3.7178567 0.0000000 0.0000000 0.0000000 3.6153952 0.0000000 0.0000000 0.0000000 3.5885186 -------------------------- Born effective charges -------------------------- 1 O -1.9786024 0.1923787 0.1297787 0.2150079 -2.3311016 -0.3349480 0.1070183 -0.3442477 -1.9239629 2 O -1.9786024 -0.1923787 0.1297787 -0.2150079 -2.3311016 0.3349480 0.1070183 0.3442477 -1.9239629 3 O -1.9786024 -0.1923787 -0.1297787 -0.2150079 -2.3311016 -0.3349480 -0.1070183 -0.3442477 -1.9239629 4 O -1.9786024 0.1923787 -0.1297787 0.2150079 -2.3311016 0.3349480 -0.1070183 0.3442477 -1.9239629 5 O -1.9786024 0.1923787 0.1297787 0.2150079 -2.3311016 -0.3349480 0.1070183 -0.3442477 -1.9239629 6 O -1.9786024 -0.1923787 0.1297787 -0.2150079 -2.3311016 0.3349480 0.1070183 0.3442477 -1.9239629 7 O -1.9786024 -0.1923787 -0.1297787 -0.2150079 -2.3311016 -0.3349480 -0.1070183 -0.3442477 -1.9239629 8 O -1.9786024 0.1923787 -0.1297787 0.2150079 -2.3311016 0.3349480 -0.1070183 0.3442477 -1.9239629 9 O -1.9736756 0.0000000 -0.2037458 0.0000000 -1.8951699 0.0000000 -0.1824372 0.0000000 -2.4506488 10 O -1.9736756 0.0000000 -0.2037458 0.0000000 -1.8951699 0.0000000 -0.1824372 0.0000000 -2.4506488 11 O -1.9736756 0.0000000 0.2037458 0.0000000 -1.8951699 0.0000000 0.1824372 0.0000000 -2.4506488 12 O -1.9736756 0.0000000 0.2037458 0.0000000 -1.8951699 0.0000000 0.1824372 0.0000000 -2.4506488 13 O -2.8045005 0.0000000 -0.0451626 0.0000000 -1.6436967 0.0000000 -0.0230310 0.0000000 -1.6822641 14 O -2.8045005 0.0000000 -0.0451626 0.0000000 -1.6436967 0.0000000 -0.0230310 0.0000000 -1.6822641 15 O -2.8045005 0.0000000 0.0451626 0.0000000 -1.6436967 0.0000000 0.0230310 0.0000000 -1.6822641 16 O -2.8045005 0.0000000 0.0451626 0.0000000 -1.6436967 0.0000000 0.0230310 0.0000000 -1.6822641 17 Si 2.9253763 0.0000000 0.0107977 0.0000000 2.9105126 0.0000000 0.0311247 0.0000000 2.5899550 18 Si 2.9253763 0.0000000 0.0107977 0.0000000 2.9105126 0.0000000 0.0311247 0.0000000 2.5899550 19 Si 2.9253763 0.0000000 -0.0107977 0.0000000 2.9105126 0.0000000 -0.0311247 0.0000000 2.5899550 20 Si 2.9253763 0.0000000 -0.0107977 0.0000000 2.9105126 0.0000000 -0.0311247 0.0000000 2.5899550 21 Ba 2.8279690 0.0000000 0.0705853 0.0000000 2.5707831 0.0000000 0.0960279 0.0000000 2.8092175 22 Ba 2.8279690 0.0000000 0.0705853 0.0000000 2.5707831 0.0000000 0.0960279 0.0000000 2.8092175 23 Ba 2.8279690 0.0000000 -0.0705853 0.0000000 2.5707831 0.0000000 -0.0960279 0.0000000 2.8092175 24 Ba 2.8279690 0.0000000 -0.0705853 0.0000000 2.5707831 0.0000000 -0.0960279 0.0000000 2.8092175 25 Ba 2.9820356 0.0000000 -0.0266632 0.0000000 2.7197740 0.0000000 0.0191961 0.0000000 2.5816662 26 Ba 2.9820356 0.0000000 -0.0266632 0.0000000 2.7197740 0.0000000 0.0191961 0.0000000 2.5816662 27 Ba 2.9820356 0.0000000 0.0266632 0.0000000 2.7197740 0.0000000 -0.0191961 0.0000000 2.5816662 28 Ba 2.9820356 0.0000000 0.0266632 0.0000000 2.7197740 0.0000000 -0.0191961 0.0000000 2.5816662 ---------------------------------------------------------------------------- Sets of supercell forces were read from "FORCES_FC3.xz". Displacement dataset for fc3 was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". ----------------------------- Force constants ------------------------------ Computing fc3[ 1, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 33, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 49, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 65, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 81, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 97, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Expanding fc3. Symmetrizing fc3 by traditional approach (N=3). Symmetrizing fc2 by traditional approach (N=3). Max drift of fc3: -0.00000003 (xxx) -0.00000003 (xxx) -0.00000003 (xxx) fc3 was written into "fc3.hdf5". Max drift of fc2: 0.00000000 (xz) 0.00000000 (xz) fc2 was written into "fc2.hdf5". --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperatures: 0.0 300.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 ----------- None of ph-ph interaction calculation was performed. ----------- Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 03:31:33]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 03:31:34]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: conductivity-RTA HDF5 data compression filter: gzip Crystal structure was read from "phono3py.yaml". Supercell (dim): [2 2 1] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: Pnma (62) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 7.509186040000000 0.000000000000000 0.000000000000000 b 0.000000000000000 5.783222180000000 0.000000000000000 c 0.000000000000000 0.000000000000000 10.233703210000000 Atomic positions (fractional): 1 O 0.69136392234484 0.98333219547266 0.14984617498891 15.999 2 O 0.30863607765516 0.48333219547266 0.85015382501109 15.999 3 O 0.19136392234484 0.51666780452734 0.35015382501109 15.999 4 O 0.80863607765516 0.01666780452734 0.64984617498891 15.999 5 O 0.30863607765516 0.01666780452734 0.85015382501109 15.999 6 O 0.69136392234484 0.51666780452734 0.14984617498891 15.999 7 O 0.80863607765516 0.48333219547266 0.64984617498891 15.999 8 O 0.19136392234484 0.98333219547266 0.35015382501109 15.999 9 O 0.30732599327572 0.25000000000000 0.07222064154155 15.999 10 O 0.69267400672428 0.75000000000000 0.92777935845845 15.999 11 O 0.80732599327572 0.25000000000000 0.42777935845845 15.999 12 O 0.19267400672428 0.75000000000000 0.57222064154155 15.999 13 O 0.49001952867717 0.75000000000000 0.41565484950726 15.999 14 O 0.50998047132283 0.25000000000000 0.58434515049274 15.999 15 O 0.99001952867717 0.75000000000000 0.08434515049274 15.999 16 O 0.00998047132283 0.25000000000000 0.91565484950726 15.999 17 Si 0.22825852761012 0.25000000000000 0.92070886116785 28.085 18 Si 0.77174147238988 0.75000000000000 0.07929113883215 28.085 19 Si 0.72825852761012 0.25000000000000 0.57929113883215 28.085 20 Si 0.27174147238988 0.75000000000000 0.42070886116785 28.085 21 Ba 0.99098801516685 0.25000000000000 0.19327943627708 137.327 22 Ba 0.00901198483315 0.75000000000000 0.80672056372292 137.327 23 Ba 0.49098801516685 0.25000000000000 0.30672056372292 137.327 24 Ba 0.50901198483315 0.75000000000000 0.69327943627708 137.327 25 Ba 0.15878794248262 0.25000000000000 0.58367492228268 137.327 26 Ba 0.84121205751738 0.75000000000000 0.41632507771732 137.327 27 Ba 0.65878794248262 0.25000000000000 0.91632507771732 137.327 28 Ba 0.34121205751738 0.75000000000000 0.08367492228268 137.327 -------------------------------- supercell --------------------------------- Lattice vectors: a 15.018372080000001 0.000000000000000 0.000000000000000 b 0.000000000000000 11.566444360000000 0.000000000000000 c 0.000000000000000 0.000000000000000 10.233703210000000 Atomic positions (fractional): 1 O 0.34568196117242 0.49166609773633 0.14984617498891 15.999 > 1 2 O 0.84568196117242 0.49166609773633 0.14984617498891 15.999 > 1 3 O 0.34568196117242 0.99166609773633 0.14984617498891 15.999 > 1 4 O 0.84568196117242 0.99166609773633 0.14984617498891 15.999 > 1 5 O 0.15431803882758 0.24166609773633 0.85015382501109 15.999 > 5 6 O 0.65431803882758 0.24166609773633 0.85015382501109 15.999 > 5 7 O 0.15431803882758 0.74166609773633 0.85015382501109 15.999 > 5 8 O 0.65431803882758 0.74166609773633 0.85015382501109 15.999 > 5 9 O 0.09568196117242 0.25833390226367 0.35015382501109 15.999 > 9 10 O 0.59568196117242 0.25833390226367 0.35015382501109 15.999 > 9 11 O 0.09568196117242 0.75833390226367 0.35015382501109 15.999 > 9 12 O 0.59568196117242 0.75833390226367 0.35015382501109 15.999 > 9 13 O 0.40431803882758 0.00833390226367 0.64984617498891 15.999 > 13 14 O 0.90431803882758 0.00833390226367 0.64984617498891 15.999 > 13 15 O 0.40431803882758 0.50833390226367 0.64984617498891 15.999 > 13 16 O 0.90431803882758 0.50833390226367 0.64984617498891 15.999 > 13 17 O 0.15431803882758 0.00833390226367 0.85015382501109 15.999 > 17 18 O 0.65431803882758 0.00833390226367 0.85015382501109 15.999 > 17 19 O 0.15431803882758 0.50833390226367 0.85015382501109 15.999 > 17 20 O 0.65431803882758 0.50833390226367 0.85015382501109 15.999 > 17 21 O 0.34568196117242 0.25833390226367 0.14984617498891 15.999 > 21 22 O 0.84568196117242 0.25833390226367 0.14984617498891 15.999 > 21 23 O 0.34568196117242 0.75833390226367 0.14984617498891 15.999 > 21 24 O 0.84568196117242 0.75833390226367 0.14984617498891 15.999 > 21 25 O 0.40431803882758 0.24166609773633 0.64984617498891 15.999 > 25 26 O 0.90431803882758 0.24166609773633 0.64984617498891 15.999 > 25 27 O 0.40431803882758 0.74166609773633 0.64984617498891 15.999 > 25 28 O 0.90431803882758 0.74166609773633 0.64984617498891 15.999 > 25 29 O 0.09568196117242 0.49166609773633 0.35015382501109 15.999 > 29 30 O 0.59568196117242 0.49166609773633 0.35015382501109 15.999 > 29 31 O 0.09568196117242 0.99166609773633 0.35015382501109 15.999 > 29 32 O 0.59568196117242 0.99166609773633 0.35015382501109 15.999 > 29 33 O 0.15366299663786 0.12500000000000 0.07222064154155 15.999 > 33 34 O 0.65366299663786 0.12500000000000 0.07222064154155 15.999 > 33 35 O 0.15366299663786 0.62500000000000 0.07222064154155 15.999 > 33 36 O 0.65366299663786 0.62500000000000 0.07222064154155 15.999 > 33 37 O 0.34633700336214 0.37500000000000 0.92777935845845 15.999 > 37 38 O 0.84633700336214 0.37500000000000 0.92777935845845 15.999 > 37 39 O 0.34633700336214 0.87500000000000 0.92777935845845 15.999 > 37 40 O 0.84633700336214 0.87500000000000 0.92777935845845 15.999 > 37 41 O 0.40366299663786 0.12500000000000 0.42777935845845 15.999 > 41 42 O 0.90366299663786 0.12500000000000 0.42777935845845 15.999 > 41 43 O 0.40366299663786 0.62500000000000 0.42777935845845 15.999 > 41 44 O 0.90366299663786 0.62500000000000 0.42777935845845 15.999 > 41 45 O 0.09633700336214 0.37500000000000 0.57222064154155 15.999 > 45 46 O 0.59633700336214 0.37500000000000 0.57222064154155 15.999 > 45 47 O 0.09633700336214 0.87500000000000 0.57222064154155 15.999 > 45 48 O 0.59633700336214 0.87500000000000 0.57222064154155 15.999 > 45 49 O 0.24500976433859 0.37500000000000 0.41565484950726 15.999 > 49 50 O 0.74500976433859 0.37500000000000 0.41565484950726 15.999 > 49 51 O 0.24500976433859 0.87500000000000 0.41565484950726 15.999 > 49 52 O 0.74500976433859 0.87500000000000 0.41565484950726 15.999 > 49 53 O 0.25499023566141 0.12500000000000 0.58434515049274 15.999 > 53 54 O 0.75499023566141 0.12500000000000 0.58434515049274 15.999 > 53 55 O 0.25499023566141 0.62500000000000 0.58434515049274 15.999 > 53 56 O 0.75499023566141 0.62500000000000 0.58434515049274 15.999 > 53 57 O 0.49500976433859 0.37500000000000 0.08434515049274 15.999 > 57 58 O 0.99500976433859 0.37500000000000 0.08434515049274 15.999 > 57 59 O 0.49500976433859 0.87500000000000 0.08434515049274 15.999 > 57 60 O 0.99500976433859 0.87500000000000 0.08434515049274 15.999 > 57 61 O 0.00499023566141 0.12500000000000 0.91565484950726 15.999 > 61 62 O 0.50499023566141 0.12500000000000 0.91565484950726 15.999 > 61 63 O 0.00499023566141 0.62500000000000 0.91565484950726 15.999 > 61 64 O 0.50499023566141 0.62500000000000 0.91565484950726 15.999 > 61 65 Si 0.11412926380506 0.12500000000000 0.92070886116785 28.085 > 65 66 Si 0.61412926380506 0.12500000000000 0.92070886116785 28.085 > 65 67 Si 0.11412926380506 0.62500000000000 0.92070886116785 28.085 > 65 68 Si 0.61412926380506 0.62500000000000 0.92070886116785 28.085 > 65 69 Si 0.38587073619494 0.37500000000000 0.07929113883215 28.085 > 69 70 Si 0.88587073619494 0.37500000000000 0.07929113883215 28.085 > 69 71 Si 0.38587073619494 0.87500000000000 0.07929113883215 28.085 > 69 72 Si 0.88587073619494 0.87500000000000 0.07929113883215 28.085 > 69 73 Si 0.36412926380506 0.12500000000000 0.57929113883215 28.085 > 73 74 Si 0.86412926380506 0.12500000000000 0.57929113883215 28.085 > 73 75 Si 0.36412926380506 0.62500000000000 0.57929113883215 28.085 > 73 76 Si 0.86412926380506 0.62500000000000 0.57929113883215 28.085 > 73 77 Si 0.13587073619494 0.37500000000000 0.42070886116785 28.085 > 77 78 Si 0.63587073619494 0.37500000000000 0.42070886116785 28.085 > 77 79 Si 0.13587073619494 0.87500000000000 0.42070886116785 28.085 > 77 80 Si 0.63587073619494 0.87500000000000 0.42070886116785 28.085 > 77 81 Ba 0.49549400758342 0.12500000000000 0.19327943627708 137.327 > 81 82 Ba 0.99549400758342 0.12500000000000 0.19327943627708 137.327 > 81 83 Ba 0.49549400758342 0.62500000000000 0.19327943627708 137.327 > 81 84 Ba 0.99549400758342 0.62500000000000 0.19327943627708 137.327 > 81 85 Ba 0.00450599241658 0.37500000000000 0.80672056372292 137.327 > 85 86 Ba 0.50450599241658 0.37500000000000 0.80672056372292 137.327 > 85 87 Ba 0.00450599241658 0.87500000000000 0.80672056372292 137.327 > 85 88 Ba 0.50450599241658 0.87500000000000 0.80672056372292 137.327 > 85 89 Ba 0.24549400758342 0.12500000000000 0.30672056372292 137.327 > 89 90 Ba 0.74549400758342 0.12500000000000 0.30672056372292 137.327 > 89 91 Ba 0.24549400758342 0.62500000000000 0.30672056372292 137.327 > 89 92 Ba 0.74549400758342 0.62500000000000 0.30672056372292 137.327 > 89 93 Ba 0.25450599241658 0.37500000000000 0.69327943627708 137.327 > 93 94 Ba 0.75450599241658 0.37500000000000 0.69327943627708 137.327 > 93 95 Ba 0.25450599241658 0.87500000000000 0.69327943627708 137.327 > 93 96 Ba 0.75450599241658 0.87500000000000 0.69327943627708 137.327 > 93 97 Ba 0.07939397124131 0.12500000000000 0.58367492228268 137.327 > 97 98 Ba 0.57939397124131 0.12500000000000 0.58367492228268 137.327 > 97 99 Ba 0.07939397124131 0.62500000000000 0.58367492228268 137.327 > 97 100 Ba 0.57939397124131 0.62500000000000 0.58367492228268 137.327 > 97 101 Ba 0.42060602875869 0.37500000000000 0.41632507771732 137.327 > 101 102 Ba 0.92060602875869 0.37500000000000 0.41632507771732 137.327 > 101 103 Ba 0.42060602875869 0.87500000000000 0.41632507771732 137.327 > 101 104 Ba 0.92060602875869 0.87500000000000 0.41632507771732 137.327 > 101 105 Ba 0.32939397124131 0.12500000000000 0.91632507771732 137.327 > 105 106 Ba 0.82939397124131 0.12500000000000 0.91632507771732 137.327 > 105 107 Ba 0.32939397124131 0.62500000000000 0.91632507771732 137.327 > 105 108 Ba 0.82939397124131 0.62500000000000 0.91632507771732 137.327 > 105 109 Ba 0.17060602875869 0.37500000000000 0.08367492228268 137.327 > 109 110 Ba 0.67060602875869 0.37500000000000 0.08367492228268 137.327 > 109 111 Ba 0.17060602875869 0.87500000000000 0.08367492228268 137.327 > 109 112 Ba 0.67060602875869 0.87500000000000 0.08367492228268 137.327 > 109 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 3.7178567 0.0000000 0.0000000 0.0000000 3.6153952 0.0000000 0.0000000 0.0000000 3.5885186 -------------------------- Born effective charges -------------------------- 1 O -1.9786024 0.1923787 0.1297787 0.2150079 -2.3311016 -0.3349480 0.1070183 -0.3442477 -1.9239629 2 O -1.9786024 -0.1923787 0.1297787 -0.2150079 -2.3311016 0.3349480 0.1070183 0.3442477 -1.9239629 3 O -1.9786024 -0.1923787 -0.1297787 -0.2150079 -2.3311016 -0.3349480 -0.1070183 -0.3442477 -1.9239629 4 O -1.9786024 0.1923787 -0.1297787 0.2150079 -2.3311016 0.3349480 -0.1070183 0.3442477 -1.9239629 5 O -1.9786024 0.1923787 0.1297787 0.2150079 -2.3311016 -0.3349480 0.1070183 -0.3442477 -1.9239629 6 O -1.9786024 -0.1923787 0.1297787 -0.2150079 -2.3311016 0.3349480 0.1070183 0.3442477 -1.9239629 7 O -1.9786024 -0.1923787 -0.1297787 -0.2150079 -2.3311016 -0.3349480 -0.1070183 -0.3442477 -1.9239629 8 O -1.9786024 0.1923787 -0.1297787 0.2150079 -2.3311016 0.3349480 -0.1070183 0.3442477 -1.9239629 9 O -1.9736756 0.0000000 -0.2037458 0.0000000 -1.8951699 0.0000000 -0.1824372 0.0000000 -2.4506488 10 O -1.9736756 0.0000000 -0.2037458 0.0000000 -1.8951699 0.0000000 -0.1824372 0.0000000 -2.4506488 11 O -1.9736756 0.0000000 0.2037458 0.0000000 -1.8951699 0.0000000 0.1824372 0.0000000 -2.4506488 12 O -1.9736756 0.0000000 0.2037458 0.0000000 -1.8951699 0.0000000 0.1824372 0.0000000 -2.4506488 13 O -2.8045005 0.0000000 -0.0451626 0.0000000 -1.6436967 0.0000000 -0.0230310 0.0000000 -1.6822641 14 O -2.8045005 0.0000000 -0.0451626 0.0000000 -1.6436967 0.0000000 -0.0230310 0.0000000 -1.6822641 15 O -2.8045005 0.0000000 0.0451626 0.0000000 -1.6436967 0.0000000 0.0230310 0.0000000 -1.6822641 16 O -2.8045005 0.0000000 0.0451626 0.0000000 -1.6436967 0.0000000 0.0230310 0.0000000 -1.6822641 17 Si 2.9253763 0.0000000 0.0107977 0.0000000 2.9105126 0.0000000 0.0311247 0.0000000 2.5899550 18 Si 2.9253763 0.0000000 0.0107977 0.0000000 2.9105126 0.0000000 0.0311247 0.0000000 2.5899550 19 Si 2.9253763 0.0000000 -0.0107977 0.0000000 2.9105126 0.0000000 -0.0311247 0.0000000 2.5899550 20 Si 2.9253763 0.0000000 -0.0107977 0.0000000 2.9105126 0.0000000 -0.0311247 0.0000000 2.5899550 21 Ba 2.8279690 0.0000000 0.0705853 0.0000000 2.5707831 0.0000000 0.0960279 0.0000000 2.8092175 22 Ba 2.8279690 0.0000000 0.0705853 0.0000000 2.5707831 0.0000000 0.0960279 0.0000000 2.8092175 23 Ba 2.8279690 0.0000000 -0.0705853 0.0000000 2.5707831 0.0000000 -0.0960279 0.0000000 2.8092175 24 Ba 2.8279690 0.0000000 -0.0705853 0.0000000 2.5707831 0.0000000 -0.0960279 0.0000000 2.8092175 25 Ba 2.9820356 0.0000000 -0.0266632 0.0000000 2.7197740 0.0000000 0.0191961 0.0000000 2.5816662 26 Ba 2.9820356 0.0000000 -0.0266632 0.0000000 2.7197740 0.0000000 0.0191961 0.0000000 2.5816662 27 Ba 2.9820356 0.0000000 0.0266632 0.0000000 2.7197740 0.0000000 -0.0191961 0.0000000 2.5816662 28 Ba 2.9820356 0.0000000 0.0266632 0.0000000 2.7197740 0.0000000 -0.0191961 0.0000000 2.5816662 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: -0.00000003 (xxx) -0.00000003 (xxx) -0.00000003 (xxx) Max drift of fc2: 0.00000000 (zz) 0.00000000 (zz) --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperature: 0.0 10.0 20.0 30.0 40.0 ... 1000.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 Length for sampling mesh generation: 50.00 Generating grid system ... [ 7 9 5 ] 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: 0.54, Number of G-points: 305, Lambda: 0.11 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/60) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| -0.000 ( 0.000 0.000 0.000) 0.000 0.000 ( 0.000 0.000 0.000) 0.000 0.000 ( 0.000 0.000 0.000) 0.000 1.305 ( 0.000 0.000 0.000) 0.000 1.738 ( 0.000 0.000 0.000) 0.000 1.783 ( 0.000 0.000 0.000) 0.000 1.907 ( 0.000 0.000 0.000) 0.000 1.966 ( 0.000 0.000 0.000) 0.000 2.083 ( 0.000 0.000 0.000) 0.000 2.148 ( 0.000 0.000 0.000) 0.000 2.377 ( 0.000 0.000 0.000) 0.000 2.403 ( 0.000 0.000 0.000) 0.000 2.419 ( 0.000 0.000 0.000) 0.000 2.559 ( 0.000 0.000 0.000) 0.000 2.650 ( 0.000 0.000 0.000) 0.000 2.678 ( 0.000 0.000 0.000) 0.000 2.913 ( 0.000 0.000 0.000) 0.000 2.917 ( 0.000 0.000 0.000) 0.000 2.967 ( 0.000 0.000 0.000) 0.000 3.026 ( 0.000 0.000 0.000) 0.000 3.251 ( 0.000 0.000 0.000) 0.000 3.393 ( 0.000 0.000 0.000) 0.000 3.406 ( 0.000 0.000 0.000) 0.000 3.525 ( 0.000 0.000 0.000) 0.000 3.793 ( 0.000 0.000 0.000) 0.000 3.873 ( 0.000 0.000 0.000) 0.000 3.954 ( 0.000 0.000 0.000) 0.000 4.376 ( 0.000 0.000 0.000) 0.000 4.413 ( 0.000 0.000 0.000) 0.000 4.550 ( 0.000 0.000 0.000) 0.000 4.555 ( 0.000 0.000 0.000) 0.000 4.696 ( 0.000 0.000 0.000) 0.000 4.705 ( 0.000 0.000 0.000) 0.000 4.790 ( 0.000 0.000 0.000) 0.000 4.832 ( 0.000 0.000 0.000) 0.000 5.050 ( 0.000 0.000 0.000) 0.000 5.221 ( 0.000 0.000 0.000) 0.000 5.249 ( 0.000 0.000 0.000) 0.000 5.252 ( 0.000 0.000 0.000) 0.000 5.283 ( 0.000 0.000 0.000) 0.000 5.568 ( 0.000 0.000 0.000) 0.000 5.751 ( 0.000 0.000 0.000) 0.000 5.761 ( 0.000 0.000 0.000) 0.000 5.899 ( 0.000 0.000 0.000) 0.000 6.243 ( 0.000 0.000 0.000) 0.000 6.348 ( 0.000 0.000 0.000) 0.000 7.090 ( 0.000 0.000 0.000) 0.000 7.103 ( 0.000 0.000 0.000) 0.000 9.804 ( 0.000 0.000 0.000) 0.000 9.891 ( 0.000 0.000 0.000) 0.000 9.907 ( 0.000 0.000 0.000) 0.000 10.290 ( 0.000 0.000 0.000) 0.000 10.350 ( 0.000 0.000 0.000) 0.000 10.389 ( 0.000 0.000 0.000) 0.000 10.555 ( 0.000 0.000 0.000) 0.000 11.217 ( 0.000 0.000 0.000) 0.000 13.800 ( 0.000 0.000 0.000) 0.000 13.810 ( 0.000 0.000 0.000) 0.000 13.868 ( 0.000 0.000 0.000) 0.000 13.896 ( 0.000 0.000 0.000) 0.000 14.037 ( 0.000 0.000 0.000) 0.000 14.120 ( 0.000 0.000 0.000) 0.000 14.194 ( 0.000 0.000 0.000) 0.000 14.200 ( 0.000 0.000 0.000) 0.000 14.331 ( 0.000 0.000 0.000) 0.000 14.481 ( 0.000 0.000 0.000) 0.000 14.907 ( 0.000 0.000 0.000) 0.000 15.282 ( 0.000 0.000 0.000) 0.000 24.024 ( 0.000 0.000 0.000) 0.000 24.028 ( 0.000 0.000 0.000) 0.000 24.046 ( 0.000 0.000 0.000) 0.000 24.111 ( 0.000 0.000 0.000) 0.000 25.296 ( 0.000 0.000 0.000) 0.000 25.517 ( 0.000 0.000 0.000) 0.000 25.632 ( 0.000 0.000 0.000) 0.000 26.314 ( 0.000 0.000 0.000) 0.000 26.336 ( 0.000 0.000 0.000) 0.000 26.398 ( 0.000 0.000 0.000) 0.000 26.413 ( 0.000 0.000 0.000) 0.000 26.685 ( 0.000 0.000 0.000) 0.000 26.933 ( 0.000 0.000 0.000) 0.000 27.059 ( 0.000 0.000 0.000) 0.000 27.233 ( 0.000 0.000 0.000) 0.000 27.452 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/60) ======================= q-point: ( 0.14 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.531 ( 27.538 0.000 0.000) 27.538 0.532 ( 26.682 0.000 0.000) 26.682 1.032 ( 52.624 0.000 0.000) 52.624 1.263 ( -2.619 0.000 0.000) 2.619 1.785 ( 0.273 0.000 0.000) 0.273 1.885 ( 13.751 0.000 0.000) 13.751 1.970 ( 4.623 0.000 0.000) 4.623 1.971 ( 0.589 0.000 0.000) 0.589 2.081 ( -0.151 0.000 0.000) 0.151 2.262 ( 4.777 0.000 0.000) 4.777 2.339 ( -6.560 0.000 0.000) 6.560 2.391 ( 1.704 0.000 0.000) 1.704 2.488 ( 7.993 0.000 0.000) 7.993 2.611 ( 6.019 0.000 0.000) 6.019 2.670 ( 1.220 0.000 0.000) 1.220 2.699 ( 0.769 0.000 0.000) 0.769 2.848 ( -6.064 0.000 0.000) 6.064 2.953 ( -0.252 0.000 0.000) 0.252 3.018 ( 8.242 0.000 0.000) 8.242 3.031 ( 0.431 0.000 0.000) 0.431 3.094 ( -8.734 0.000 0.000) 8.734 3.448 ( 2.978 0.000 0.000) 2.978 3.583 ( 5.506 0.000 0.000) 5.506 3.667 ( 16.427 0.000 0.000) 16.427 3.819 ( 2.130 0.000 0.000) 2.130 3.841 ( -9.959 0.000 0.000) 9.959 3.930 ( 6.029 0.000 0.000) 6.029 4.388 ( 2.087 0.000 0.000) 2.087 4.403 ( -1.060 0.000 0.000) 1.060 4.591 ( -10.775 0.000 0.000) 10.775 4.600 ( 4.871 0.000 0.000) 4.871 4.657 ( 4.826 0.000 0.000) 4.826 4.709 ( 0.373 0.000 0.000) 0.373 4.718 ( -3.516 0.000 0.000) 3.516 4.778 ( -1.228 0.000 0.000) 1.228 5.188 ( -4.058 0.000 0.000) 4.058 5.205 ( -1.657 0.000 0.000) 1.657 5.233 ( 13.287 0.000 0.000) 13.287 5.339 ( 3.328 0.000 0.000) 3.328 5.347 ( -12.846 0.000 0.000) 12.846 5.698 ( -4.388 0.000 0.000) 4.388 5.733 ( 5.840 0.000 0.000) 5.840 5.734 ( -2.760 0.000 0.000) 2.760 6.126 ( -10.831 0.000 0.000) 10.831 6.433 ( 7.912 0.000 0.000) 7.912 6.973 ( 0.949 0.000 0.000) 0.949 7.177 ( 8.848 0.000 0.000) 8.848 8.745 ( -9.654 0.000 0.000) 9.654 9.825 ( 2.136 0.000 0.000) 2.136 9.911 ( 2.010 0.000 0.000) 2.010 9.969 ( 5.562 0.000 0.000) 5.562 10.267 ( -2.337 0.000 0.000) 2.337 10.363 ( -2.663 0.000 0.000) 2.663 10.416 ( 7.088 0.000 0.000) 7.088 10.512 ( -4.260 0.000 0.000) 4.260 11.219 ( -0.158 0.000 0.000) 0.158 13.787 ( -1.375 0.000 0.000) 1.375 13.822 ( 1.224 0.000 0.000) 1.224 13.864 ( -0.398 0.000 0.000) 0.398 13.899 ( 0.258 0.000 0.000) 0.258 13.985 ( -4.441 0.000 0.000) 4.441 14.117 ( -0.263 0.000 0.000) 0.263 14.190 ( -1.030 0.000 0.000) 1.030 14.228 ( -3.269 0.000 0.000) 3.269 14.526 ( 4.159 0.000 0.000) 4.159 14.774 ( -9.326 0.000 0.000) 9.326 15.082 ( 1.372 0.000 0.000) 1.372 15.205 ( -7.546 0.000 0.000) 7.546 24.030 ( 0.913 0.000 0.000) 0.913 24.050 ( 0.450 0.000 0.000) 0.450 24.054 ( 2.175 0.000 0.000) 2.175 24.127 ( 1.525 0.000 0.000) 1.525 25.311 ( 1.500 0.000 0.000) 1.500 25.527 ( 0.402 0.000 0.000) 0.402 25.656 ( 3.193 0.000 0.000) 3.193 26.318 ( 0.372 0.000 0.000) 0.372 26.340 ( 0.351 0.000 0.000) 0.351 26.393 ( -0.490 0.000 0.000) 0.490 26.409 ( -0.426 0.000 0.000) 0.426 26.817 ( -10.757 0.000 0.000) 10.757 27.143 ( 7.635 0.000 0.000) 7.635 27.254 ( 4.016 0.000 0.000) 4.016 27.501 ( 5.609 0.000 0.000) 5.609 28.656 ( -4.741 0.000 0.000) 4.741 ======================= Grid point 2 (3/60) ======================= q-point: ( 0.29 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.985 ( 19.972 0.000 0.000) 19.972 1.036 ( 25.167 0.000 0.000) 25.167 1.252 ( 1.549 0.000 0.000) 1.549 1.785 ( -0.775 0.000 0.000) 0.775 1.962 ( 43.250 0.000 0.000) 43.250 1.989 ( 1.314 0.000 0.000) 1.314 2.032 ( 1.671 0.000 0.000) 1.671 2.064 ( 0.250 0.000 0.000) 0.250 2.196 ( 15.371 0.000 0.000) 15.371 2.229 ( -3.708 0.000 0.000) 3.708 2.290 ( -2.571 0.000 0.000) 2.571 2.436 ( 2.634 0.000 0.000) 2.634 2.604 ( -2.494 0.000 0.000) 2.494 2.669 ( 0.829 0.000 0.000) 0.829 2.682 ( -2.515 0.000 0.000) 2.515 2.769 ( 3.748 0.000 0.000) 3.748 2.796 ( 10.087 0.000 0.000) 10.087 2.924 ( -2.655 0.000 0.000) 2.655 2.997 ( -0.104 0.000 0.000) 0.104 3.035 ( -0.341 0.000 0.000) 0.341 3.199 ( 8.542 0.000 0.000) 8.542 3.540 ( 6.316 0.000 0.000) 6.316 3.639 ( -10.432 0.000 0.000) 10.432 3.709 ( 7.081 0.000 0.000) 7.081 3.859 ( 1.759 0.000 0.000) 1.759 3.996 ( 17.070 0.000 0.000) 17.070 4.081 ( 8.861 0.000 0.000) 8.861 4.264 ( -20.056 0.000 0.000) 20.056 4.371 ( -2.248 0.000 0.000) 2.248 4.441 ( 0.543 0.000 0.000) 0.543 4.669 ( 2.073 0.000 0.000) 2.073 4.713 ( 6.210 0.000 0.000) 6.210 4.723 ( 1.128 0.000 0.000) 1.128 4.751 ( -1.285 0.000 0.000) 1.285 4.798 ( 4.971 0.000 0.000) 4.971 5.106 ( -11.838 0.000 0.000) 11.838 5.114 ( -3.533 0.000 0.000) 3.533 5.159 ( -3.112 0.000 0.000) 3.112 5.402 ( 3.466 0.000 0.000) 3.466 5.472 ( 11.065 0.000 0.000) 11.065 5.629 ( -2.143 0.000 0.000) 2.143 5.661 ( -4.673 0.000 0.000) 4.673 5.783 ( -1.244 0.000 0.000) 1.244 5.903 ( -10.533 0.000 0.000) 10.533 6.606 ( 9.376 0.000 0.000) 9.376 6.966 ( -1.995 0.000 0.000) 1.995 7.410 ( 15.253 0.000 0.000) 15.253 8.489 ( -16.736 0.000 0.000) 16.736 9.883 ( 3.857 0.000 0.000) 3.857 9.964 ( 3.339 0.000 0.000) 3.339 10.080 ( 5.613 0.000 0.000) 5.613 10.207 ( -3.751 0.000 0.000) 3.751 10.293 ( -4.511 0.000 0.000) 4.511 10.410 ( -6.091 0.000 0.000) 6.091 10.613 ( 12.894 0.000 0.000) 12.894 11.190 ( -3.355 0.000 0.000) 3.355 13.759 ( -0.950 0.000 0.000) 0.950 13.853 ( 1.836 0.000 0.000) 1.836 13.854 ( -0.619 0.000 0.000) 0.619 13.904 ( 0.213 0.000 0.000) 0.213 13.909 ( -2.890 0.000 0.000) 2.890 14.112 ( -0.180 0.000 0.000) 0.180 14.113 ( -8.665 0.000 0.000) 8.665 14.164 ( -1.638 0.000 0.000) 1.638 14.618 ( 4.992 0.000 0.000) 4.992 14.641 ( -3.547 0.000 0.000) 3.547 15.029 ( -9.680 0.000 0.000) 9.680 15.057 ( -3.764 0.000 0.000) 3.764 24.053 ( 1.263 0.000 0.000) 1.263 24.062 ( 0.738 0.000 0.000) 0.738 24.102 ( 2.659 0.000 0.000) 2.659 24.156 ( 1.236 0.000 0.000) 1.236 25.351 ( 2.623 0.000 0.000) 2.623 25.513 ( -1.800 0.000 0.000) 1.800 25.773 ( 8.990 0.000 0.000) 8.990 26.328 ( 0.702 0.000 0.000) 0.702 26.349 ( 0.659 0.000 0.000) 0.659 26.380 ( -0.845 0.000 0.000) 0.845 26.397 ( -0.756 0.000 0.000) 0.756 26.565 ( -15.037 0.000 0.000) 15.037 27.282 ( 5.733 0.000 0.000) 5.733 27.325 ( 3.156 0.000 0.000) 3.156 27.690 ( 14.221 0.000 0.000) 14.221 28.521 ( -9.488 0.000 0.000) 9.488 ======================= Grid point 3 (4/60) ======================= q-point: ( 0.43 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.252 ( 7.503 0.000 0.000) 7.503 1.294 ( 1.586 0.000 0.000) 1.586 1.465 ( 18.992 0.000 0.000) 18.992 1.720 ( -7.428 0.000 0.000) 7.428 2.018 ( 1.559 0.000 0.000) 1.559 2.040 ( -0.575 0.000 0.000) 0.575 2.077 ( 1.930 0.000 0.000) 1.930 2.163 ( -6.948 0.000 0.000) 6.948 2.237 ( 5.134 0.000 0.000) 5.134 2.396 ( -9.214 0.000 0.000) 9.214 2.444 ( 9.400 0.000 0.000) 9.400 2.503 ( 6.138 0.000 0.000) 6.138 2.543 ( 2.527 0.000 0.000) 2.527 2.615 ( -4.100 0.000 0.000) 4.100 2.835 ( 4.299 0.000 0.000) 4.299 2.864 ( -2.868 0.000 0.000) 2.868 2.905 ( 20.117 0.000 0.000) 20.117 2.910 ( 7.081 0.000 0.000) 7.081 3.006 ( -3.051 0.000 0.000) 3.051 3.169 ( 14.424 0.000 0.000) 14.424 3.244 ( -6.755 0.000 0.000) 6.755 3.439 ( -11.971 0.000 0.000) 11.971 3.664 ( 6.775 0.000 0.000) 6.775 3.826 ( 4.631 0.000 0.000) 4.631 3.873 ( -17.695 0.000 0.000) 17.695 3.874 ( -0.529 0.000 0.000) 0.529 4.231 ( 6.259 0.000 0.000) 6.259 4.273 ( 11.105 0.000 0.000) 11.105 4.318 ( -3.368 0.000 0.000) 3.368 4.411 ( -3.950 0.000 0.000) 3.950 4.740 ( 0.158 0.000 0.000) 0.158 4.742 ( 0.462 0.000 0.000) 0.462 4.746 ( 4.950 0.000 0.000) 4.950 4.801 ( 1.598 0.000 0.000) 1.598 4.865 ( 2.228 0.000 0.000) 2.228 4.922 ( -6.467 0.000 0.000) 6.467 5.068 ( -0.632 0.000 0.000) 0.632 5.096 ( -3.043 0.000 0.000) 3.043 5.476 ( 4.325 0.000 0.000) 4.325 5.566 ( -5.080 0.000 0.000) 5.080 5.601 ( 2.006 0.000 0.000) 2.006 5.667 ( 6.841 0.000 0.000) 6.841 5.676 ( -6.498 0.000 0.000) 6.498 5.781 ( -4.834 0.000 0.000) 4.834 6.771 ( 7.757 0.000 0.000) 7.757 6.896 ( -5.266 0.000 0.000) 5.266 7.745 ( 19.486 0.000 0.000) 19.486 8.130 ( -20.302 0.000 0.000) 20.302 9.964 ( 4.327 0.000 0.000) 4.327 10.014 ( 0.501 0.000 0.000) 0.501 10.151 ( -0.646 0.000 0.000) 0.646 10.184 ( 5.451 0.000 0.000) 5.451 10.202 ( -4.656 0.000 0.000) 4.656 10.292 ( -6.020 0.000 0.000) 6.020 10.868 ( 12.917 0.000 0.000) 12.917 11.077 ( -8.654 0.000 0.000) 8.654 13.777 ( 3.142 0.000 0.000) 3.142 13.837 ( -1.562 0.000 0.000) 1.562 13.880 ( -0.116 0.000 0.000) 0.116 13.885 ( 1.440 0.000 0.000) 1.440 13.903 ( -0.424 0.000 0.000) 0.424 13.941 ( -7.611 0.000 0.000) 7.611 14.114 ( 0.510 0.000 0.000) 0.510 14.133 ( -1.425 0.000 0.000) 1.425 14.637 ( 2.417 0.000 0.000) 2.417 14.682 ( 0.105 0.000 0.000) 0.105 14.900 ( -1.675 0.000 0.000) 1.675 14.960 ( -5.566 0.000 0.000) 5.566 24.071 ( 0.568 0.000 0.000) 0.568 24.073 ( 0.332 0.000 0.000) 0.332 24.146 ( 1.838 0.000 0.000) 1.838 24.167 ( -0.249 0.000 0.000) 0.249 25.407 ( 3.145 0.000 0.000) 3.145 25.466 ( -2.943 0.000 0.000) 2.943 25.988 ( 13.346 0.000 0.000) 13.346 26.268 ( -15.638 0.000 0.000) 15.638 26.344 ( 0.930 0.000 0.000) 0.930 26.362 ( -0.993 0.000 0.000) 0.993 26.364 ( 0.868 0.000 0.000) 0.868 26.381 ( -0.912 0.000 0.000) 0.912 27.354 ( 2.076 0.000 0.000) 2.076 27.365 ( 0.854 0.000 0.000) 0.854 27.998 ( 16.829 0.000 0.000) 16.829 28.296 ( -13.984 0.000 0.000) 13.984 ======================= Grid point 7 (5/60) ======================= q-point: ( 0.00 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.432 ( 0.000 22.156 0.000) 22.156 0.547 ( 0.000 28.017 0.000) 28.017 0.907 ( 0.000 43.692 0.000) 43.692 1.457 ( 0.000 13.956 0.000) 13.956 1.774 ( 0.000 0.501 0.000) 0.501 1.785 ( 0.000 5.110 0.000) 5.110 1.822 ( 0.000 -9.033 0.000) 9.033 1.988 ( 0.000 6.304 0.000) 6.304 2.031 ( 0.000 -4.373 0.000) 4.373 2.328 ( 0.000 12.003 0.000) 12.003 2.457 ( 0.000 6.647 0.000) 6.647 2.514 ( 0.000 10.191 0.000) 10.191 2.519 ( 0.000 -4.592 0.000) 4.592 2.611 ( 0.000 -0.932 0.000) 0.932 2.766 ( 0.000 8.954 0.000) 8.954 2.817 ( 0.000 12.831 0.000) 12.831 2.825 ( 0.000 -5.475 0.000) 5.475 2.877 ( 0.000 -3.453 0.000) 3.453 3.041 ( 0.000 5.728 0.000) 5.728 3.131 ( 0.000 3.087 0.000) 3.087 3.342 ( 0.000 6.411 0.000) 6.411 3.373 ( 0.000 -2.613 0.000) 2.613 3.407 ( 0.000 1.062 0.000) 1.062 3.556 ( 0.000 2.314 0.000) 2.314 3.820 ( 0.000 2.192 0.000) 2.192 3.859 ( 0.000 -6.265 0.000) 6.265 4.311 ( 0.000 -7.492 0.000) 7.492 4.524 ( 0.000 -2.435 0.000) 2.435 4.535 ( 0.000 -1.898 0.000) 1.898 4.549 ( 0.000 7.910 0.000) 7.910 4.691 ( 0.000 1.002 0.000) 1.002 4.780 ( 0.000 -2.050 0.000) 2.050 4.787 ( 0.000 6.669 0.000) 6.669 4.888 ( 0.000 10.379 0.000) 10.379 4.934 ( 0.000 17.978 0.000) 17.978 4.993 ( 0.000 3.302 0.000) 3.302 5.237 ( 0.000 -1.460 0.000) 1.460 5.281 ( 0.000 -0.549 0.000) 0.549 5.410 ( 0.000 8.604 0.000) 8.604 5.589 ( 0.000 2.195 0.000) 2.195 5.696 ( 0.000 -3.905 0.000) 3.905 5.770 ( 0.000 1.059 0.000) 1.059 5.924 ( 0.000 2.368 0.000) 2.368 6.239 ( 0.000 -0.420 0.000) 0.420 6.354 ( 0.000 0.729 0.000) 0.729 6.976 ( 0.000 -12.354 0.000) 12.354 7.014 ( 0.000 -7.256 0.000) 7.256 7.794 ( 0.000 -6.230 0.000) 6.230 9.799 ( 0.000 -3.259 0.000) 3.259 9.902 ( 0.000 9.267 0.000) 9.267 10.073 ( 0.000 10.624 0.000) 10.624 10.199 ( 0.000 -4.898 0.000) 4.898 10.389 ( 0.000 -0.253 0.000) 0.253 10.486 ( 0.000 9.051 0.000) 9.051 10.528 ( 0.000 -2.319 0.000) 2.319 11.194 ( 0.000 -2.130 0.000) 2.130 13.734 ( 0.000 -5.144 0.000) 5.144 13.779 ( 0.000 -1.892 0.000) 1.892 13.867 ( 0.000 0.020 0.000) 0.020 14.156 ( 0.000 3.471 0.000) 3.471 14.161 ( 0.000 -2.691 0.000) 2.691 14.173 ( 0.000 11.053 0.000) 11.053 14.203 ( 0.000 0.021 0.000) 0.021 14.365 ( 0.000 3.165 0.000) 3.165 14.475 ( 0.000 -1.236 0.000) 1.236 14.519 ( 0.000 3.917 0.000) 3.917 14.894 ( 0.000 -1.335 0.000) 1.335 15.241 ( 0.000 -4.144 0.000) 4.144 24.023 ( 0.000 -0.119 0.000) 0.119 24.026 ( 0.000 -0.107 0.000) 0.107 24.040 ( 0.000 -0.526 0.000) 0.526 24.100 ( 0.000 -1.019 0.000) 1.019 25.294 ( 0.000 -0.203 0.000) 0.203 25.497 ( 0.000 -1.989 0.000) 1.989 25.599 ( 0.000 -3.242 0.000) 3.242 26.202 ( 0.000 -10.392 0.000) 10.392 26.448 ( 0.000 3.398 0.000) 3.398 26.457 ( 0.000 5.797 0.000) 5.797 26.679 ( 0.000 -0.623 0.000) 0.623 26.913 ( 0.000 -2.027 0.000) 2.027 27.059 ( 0.000 0.052 0.000) 0.052 27.345 ( 0.000 10.422 0.000) 10.422 27.406 ( 0.000 -4.644 0.000) 4.644 28.259 ( 0.000 0.764 0.000) 0.764 ======================= Grid point 8 (6/60) ======================= q-point: ( 0.14 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.683 ( 21.164 14.028 0.000) 25.391 0.717 ( 18.656 17.735 0.000) 25.740 1.391 ( 38.418 29.450 0.000) 48.407 1.441 ( -0.662 15.965 0.000) 15.979 1.711 ( -0.872 -3.359 0.000) 3.470 1.913 ( 10.934 2.471 0.000) 11.210 1.947 ( 6.579 -2.447 0.000) 7.020 2.017 ( 3.086 3.872 0.000) 4.951 2.059 ( 2.245 -1.221 0.000) 2.556 2.340 ( 0.451 6.768 0.000) 6.783 2.466 ( 1.647 5.852 0.000) 6.080 2.552 ( -4.283 1.749 0.000) 4.626 2.578 ( 3.476 2.274 0.000) 4.153 2.595 ( 7.561 9.917 0.000) 12.470 2.722 ( -1.766 8.899 0.000) 9.073 2.798 ( -2.853 -2.979 0.000) 4.125 2.842 ( 0.194 12.036 0.000) 12.038 2.927 ( 2.022 -3.182 0.000) 3.770 3.000 ( -5.432 1.682 0.000) 5.686 3.068 ( 5.383 5.736 0.000) 7.867 3.210 ( -6.579 6.179 0.000) 9.026 3.422 ( 2.267 -0.530 0.000) 2.328 3.604 ( 4.683 1.585 0.000) 4.944 3.634 ( 15.828 -0.421 0.000) 15.834 3.784 ( -6.990 -4.053 0.000) 8.080 3.886 ( 6.265 2.167 0.000) 6.629 4.307 ( -0.449 -8.824 0.000) 8.835 4.341 ( -19.542 24.025 0.000) 30.969 4.519 ( -0.737 4.839 0.000) 4.895 4.540 ( -9.531 0.466 0.000) 9.543 4.566 ( 3.570 -2.220 0.000) 4.203 4.654 ( -0.205 0.168 0.000) 0.265 4.701 ( 0.648 2.284 0.000) 2.374 4.889 ( -0.012 10.425 0.000) 10.425 4.932 ( 0.156 16.751 0.000) 16.751 5.148 ( 8.049 2.062 0.000) 8.309 5.212 ( -3.366 1.066 0.000) 3.531 5.300 ( 3.475 1.058 0.000) 3.633 5.411 ( 0.483 5.883 0.000) 5.902 5.522 ( -10.179 11.418 0.000) 15.297 5.655 ( -3.423 -2.602 0.000) 4.299 5.722 ( -1.308 1.436 0.000) 1.943 5.803 ( -0.968 4.864 0.000) 4.959 6.145 ( -11.416 1.852 0.000) 11.565 6.427 ( 6.795 -0.476 0.000) 6.812 6.844 ( -0.856 -12.281 0.000) 12.311 7.101 ( 8.755 -7.285 0.000) 11.390 8.293 ( 13.515 -29.459 0.000) 32.411 9.866 ( 6.585 -2.189 0.000) 6.939 9.922 ( 2.050 9.076 0.000) 9.305 10.076 ( 0.912 8.881 0.000) 8.928 10.245 ( 3.696 -3.848 0.000) 5.335 10.373 ( -1.634 0.868 0.000) 1.850 10.494 ( -3.429 -1.523 0.000) 3.752 10.527 ( 2.742 9.766 0.000) 10.144 11.184 ( -1.219 -3.218 0.000) 3.441 13.738 ( 0.287 -4.395 0.000) 4.404 13.781 ( 0.309 -2.032 0.000) 2.055 13.838 ( -2.132 -0.316 0.000) 2.155 14.012 ( -6.840 6.117 0.000) 9.176 14.064 ( -6.201 5.196 0.000) 8.090 14.152 ( -1.153 -2.797 0.000) 3.026 14.195 ( -0.020 7.970 0.000) 7.970 14.249 ( -3.155 1.192 0.000) 3.373 14.565 ( 4.132 3.926 0.000) 5.700 14.759 ( -6.074 -1.644 0.000) 6.292 14.875 ( 9.783 -11.120 0.000) 14.811 15.164 ( -7.488 -4.068 0.000) 8.522 24.028 ( 0.902 -0.135 0.000) 0.912 24.045 ( 0.487 -0.490 0.000) 0.691 24.050 ( 1.957 -0.247 0.000) 1.973 24.117 ( 1.510 -1.032 0.000) 1.829 25.306 ( 1.324 -0.314 0.000) 1.360 25.506 ( 0.353 -2.052 0.000) 2.082 25.618 ( 2.646 -3.605 0.000) 4.472 26.186 ( -1.752 -11.448 0.000) 11.582 26.440 ( -0.519 3.434 0.000) 3.473 26.464 ( 0.564 6.460 0.000) 6.485 26.542 ( -6.722 10.779 0.000) 12.703 26.890 ( -3.312 4.464 0.000) 5.559 27.136 ( 6.778 -0.721 0.000) 6.816 27.305 ( -1.624 6.282 0.000) 6.489 27.459 ( 6.116 -4.139 0.000) 7.385 28.428 ( 5.705 -12.713 0.000) 13.935 ======================= Grid point 9 (7/60) ======================= q-point: ( 0.29 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.098 ( 18.429 10.589 0.000) 21.254 1.111 ( 22.087 7.978 0.000) 23.484 1.455 ( 2.193 17.519 0.000) 17.656 1.728 ( 2.256 -3.464 0.000) 4.134 2.012 ( 5.266 3.320 0.000) 6.225 2.041 ( 1.231 -2.344 0.000) 2.647 2.058 ( 1.784 2.624 0.000) 3.173 2.143 ( 28.383 13.719 0.000) 31.525 2.199 ( 11.245 1.242 0.000) 11.314 2.325 ( -0.668 4.851 0.000) 4.897 2.418 ( -5.635 12.323 0.000) 13.550 2.525 ( 3.972 6.364 0.000) 7.502 2.661 ( 2.037 1.075 0.000) 2.303 2.688 ( -5.034 7.310 0.000) 8.876 2.758 ( -0.481 5.345 0.000) 5.367 2.779 ( 7.315 2.684 0.000) 7.792 2.829 ( 8.461 4.246 0.000) 9.467 2.925 ( -0.685 -0.170 0.000) 0.706 2.998 ( 2.323 5.188 0.000) 5.685 3.115 ( -3.513 4.994 0.000) 6.105 3.235 ( 9.031 4.233 0.000) 9.974 3.487 ( 4.652 -2.432 0.000) 5.249 3.627 ( -8.993 -0.990 0.000) 9.047 3.717 ( 6.411 0.861 0.000) 6.468 3.917 ( 11.713 -0.660 0.000) 11.732 4.026 ( 8.083 3.977 0.000) 9.009 4.198 ( 1.114 12.141 0.000) 12.192 4.223 ( -13.171 -4.354 0.000) 13.872 4.346 ( -4.131 -4.467 0.000) 6.084 4.467 ( -4.720 5.558 0.000) 7.292 4.647 ( 4.551 -1.818 0.000) 4.901 4.678 ( 3.562 2.082 0.000) 4.126 4.780 ( 4.550 2.278 0.000) 5.088 4.895 ( 0.483 8.558 0.000) 8.572 4.941 ( 0.602 15.023 0.000) 15.035 5.111 ( -6.737 4.197 0.000) 7.937 5.197 ( -0.406 7.218 0.000) 7.229 5.346 ( -7.219 14.600 0.000) 16.288 5.399 ( 3.721 -0.974 0.000) 3.846 5.484 ( 8.136 1.303 0.000) 8.240 5.600 ( -1.686 -1.157 0.000) 2.045 5.674 ( -3.833 1.502 0.000) 4.116 5.782 ( -3.994 -0.288 0.000) 4.004 5.908 ( -10.542 0.877 0.000) 10.579 6.576 ( 8.072 -2.673 0.000) 8.503 6.846 ( -0.526 -11.420 0.000) 11.432 7.327 ( 14.606 -7.865 0.000) 16.589 8.275 ( -10.637 -18.695 0.000) 21.509 9.979 ( 3.940 8.748 0.000) 9.594 10.010 ( 7.700 1.680 0.000) 7.881 10.107 ( 2.069 5.325 0.000) 5.713 10.288 ( -0.363 4.510 0.000) 4.525 10.330 ( -2.767 3.543 0.000) 4.496 10.406 ( -5.630 0.039 0.000) 5.631 10.618 ( 8.169 2.603 0.000) 8.573 11.136 ( -4.231 -5.213 0.000) 6.714 13.741 ( 0.263 -1.812 0.000) 1.831 13.795 ( 1.157 -3.165 0.000) 3.369 13.816 ( -0.233 -2.100 0.000) 2.113 13.939 ( -2.553 1.853 0.000) 3.155 13.963 ( -3.738 3.284 0.000) 4.976 14.097 ( -6.030 -1.307 0.000) 6.170 14.176 ( -2.997 0.863 0.000) 3.119 14.181 ( -1.204 6.466 0.000) 6.577 14.630 ( -3.948 -0.969 0.000) 4.065 14.653 ( 4.509 3.435 0.000) 5.668 14.972 ( 0.361 -6.746 0.000) 6.755 14.990 ( -9.581 -3.896 0.000) 10.343 24.051 ( 1.256 -0.161 0.000) 1.266 24.058 ( 0.793 -0.395 0.000) 0.886 24.094 ( 2.481 -0.653 0.000) 2.565 24.146 ( 1.214 -1.064 0.000) 1.615 25.342 ( 2.380 -0.691 0.000) 2.479 25.492 ( -1.724 -2.011 0.000) 2.648 25.713 ( 7.106 -5.300 0.000) 8.865 26.132 ( -4.076 -13.447 0.000) 14.051 26.433 ( -0.254 3.733 0.000) 3.742 26.466 ( -2.160 9.594 0.000) 9.834 26.482 ( 1.504 9.121 0.000) 9.245 26.781 ( -7.630 15.080 0.000) 16.900 27.254 ( 4.694 -2.838 0.000) 5.485 27.301 ( 0.922 -1.999 0.000) 2.201 27.658 ( 14.365 -3.176 0.000) 14.712 28.412 ( -5.984 -9.343 0.000) 11.095 ======================= Grid point 10 (8/60) ======================= q-point: ( 0.43 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.361 ( 8.587 9.369 0.000) 12.709 1.414 ( 4.511 8.751 0.000) 9.845 1.563 ( 12.090 10.775 0.000) 16.195 1.739 ( -3.279 1.774 0.000) 3.728 2.022 ( -1.060 -0.935 0.000) 1.413 2.025 ( -1.065 1.175 0.000) 1.586 2.118 ( 3.512 3.256 0.000) 4.789 2.201 ( -5.433 3.188 0.000) 6.300 2.362 ( 1.672 12.124 0.000) 12.238 2.368 ( 5.428 -1.233 0.000) 5.566 2.494 ( 0.393 -0.215 0.000) 0.448 2.507 ( -5.388 6.999 0.000) 8.833 2.653 ( 1.996 6.031 0.000) 6.353 2.662 ( -0.016 1.398 0.000) 1.398 2.863 ( 1.407 4.633 0.000) 4.842 2.905 ( -1.816 9.268 0.000) 9.444 2.969 ( 5.151 2.944 0.000) 5.933 3.009 ( 17.846 7.647 0.000) 19.415 3.068 ( 3.132 7.897 0.000) 8.495 3.163 ( 14.421 -0.107 0.000) 14.421 3.312 ( -3.519 6.433 0.000) 7.333 3.434 ( -11.884 -0.210 0.000) 11.886 3.585 ( 5.756 -4.198 0.000) 7.124 3.746 ( -8.337 -2.728 0.000) 8.772 3.995 ( -2.874 8.038 0.000) 8.536 4.011 ( -0.009 8.804 0.000) 8.804 4.198 ( 8.122 -1.579 0.000) 8.274 4.278 ( 5.017 0.538 0.000) 5.045 4.300 ( -2.859 -6.343 0.000) 6.958 4.370 ( -5.048 1.731 0.000) 5.336 4.740 ( 4.832 1.772 0.000) 5.147 4.755 ( 3.491 2.744 0.000) 4.440 4.845 ( 1.684 0.325 0.000) 1.715 4.878 ( -2.625 0.929 0.000) 2.784 4.944 ( 0.321 14.139 0.000) 14.143 4.995 ( -4.604 12.111 0.000) 12.956 5.200 ( 1.506 11.928 0.000) 12.023 5.248 ( -3.431 13.669 0.000) 14.093 5.479 ( 5.037 -0.764 0.000) 5.094 5.571 ( 1.183 -1.655 0.000) 2.034 5.585 ( -5.512 1.494 0.000) 5.711 5.641 ( -6.949 -2.966 0.000) 7.555 5.662 ( 7.368 -0.060 0.000) 7.369 5.784 ( -5.336 0.491 0.000) 5.358 6.714 ( 6.172 -5.327 0.000) 8.153 6.807 ( -3.568 -8.408 0.000) 9.133 7.642 ( 18.042 -9.652 0.000) 20.462 7.990 ( -17.746 -12.869 0.000) 21.921 10.065 ( 4.676 8.406 0.000) 9.619 10.122 ( 0.522 9.176 0.000) 9.191 10.160 ( 5.923 -1.030 0.000) 6.012 10.255 ( -1.189 9.047 0.000) 9.125 10.274 ( -3.234 7.204 0.000) 7.897 10.289 ( -6.073 0.449 0.000) 6.089 10.818 ( 11.431 -4.409 0.000) 12.251 11.014 ( -8.588 -6.077 0.000) 10.521 13.769 ( 3.117 -0.711 0.000) 3.197 13.814 ( -0.450 -2.136 0.000) 2.183 13.818 ( 1.201 -3.423 0.000) 3.627 13.877 ( -4.740 -1.613 0.000) 5.007 13.930 ( 0.105 1.938 0.000) 1.941 13.968 ( -4.711 1.535 0.000) 4.954 14.151 ( -0.254 1.694 0.000) 1.713 14.159 ( -0.961 4.161 0.000) 4.270 14.623 ( 2.678 -1.391 0.000) 3.018 14.692 ( -2.185 0.621 0.000) 2.271 14.873 ( -0.418 -2.288 0.000) 2.326 14.929 ( -3.913 -2.581 0.000) 4.688 24.069 ( 0.537 -0.205 0.000) 0.575 24.070 ( 0.383 -0.289 0.000) 0.479 24.136 ( 1.763 -0.956 0.000) 2.005 24.156 ( -0.248 -1.067 0.000) 1.095 25.393 ( 2.882 -1.193 0.000) 3.119 25.448 ( -2.739 -1.685 0.000) 3.215 25.870 ( 8.808 -9.042 0.000) 12.622 26.026 ( -7.096 -13.067 0.000) 14.869 26.431 ( 0.159 4.960 0.000) 4.962 26.440 ( -0.790 7.014 0.000) 7.058 26.530 ( 3.790 13.741 0.000) 14.254 26.633 ( -7.069 17.773 0.000) 19.127 27.312 ( 1.620 -4.164 0.000) 4.468 27.320 ( 0.635 -4.497 0.000) 4.542 27.959 ( 15.978 -3.928 0.000) 16.454 28.233 ( -12.337 -6.017 0.000) 13.726 ======================= Grid point 14 (9/60) ======================= q-point: ( 0.00 0.22 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.837 ( 0.000 19.593 0.000) 19.593 1.063 ( 0.000 25.343 0.000) 25.343 1.536 ( 0.000 16.827 0.000) 16.827 1.677 ( 0.000 -5.669 0.000) 5.669 1.740 ( 0.000 12.090 0.000) 12.090 1.913 ( 0.000 16.454 0.000) 16.454 1.929 ( 0.000 9.369 0.000) 9.369 1.956 ( 0.000 -1.736 0.000) 1.736 2.103 ( 0.000 5.905 0.000) 5.905 2.400 ( 0.000 -5.517 0.000) 5.517 2.534 ( 0.000 9.142 0.000) 9.142 2.561 ( 0.000 2.557 0.000) 2.557 2.599 ( 0.000 -4.300 0.000) 4.300 2.618 ( 0.000 1.491 0.000) 1.491 2.820 ( 0.000 5.123 0.000) 5.123 2.826 ( 0.000 -0.939 0.000) 0.939 2.909 ( 0.000 6.404 0.000) 6.404 3.043 ( 0.000 6.578 0.000) 6.578 3.245 ( 0.000 16.870 0.000) 16.870 3.307 ( 0.000 -3.523 0.000) 3.523 3.316 ( 0.000 13.596 0.000) 13.596 3.455 ( 0.000 5.971 0.000) 5.971 3.470 ( 0.000 6.394 0.000) 6.394 3.541 ( 0.000 -5.636 0.000) 5.636 3.823 ( 0.000 4.253 0.000) 4.253 3.857 ( 0.000 1.529 0.000) 1.529 4.095 ( 0.000 -13.148 0.000) 13.148 4.445 ( 0.000 -7.560 0.000) 7.560 4.471 ( 0.000 -2.670 0.000) 2.670 4.634 ( 0.000 2.680 0.000) 2.680 4.709 ( 0.000 -1.015 0.000) 1.015 4.780 ( 0.000 4.537 0.000) 4.537 4.955 ( 0.000 10.339 0.000) 10.339 5.155 ( 0.000 4.059 0.000) 4.059 5.166 ( 0.000 5.905 0.000) 5.905 5.200 ( 0.000 8.891 0.000) 8.891 5.248 ( 0.000 -3.112 0.000) 3.112 5.379 ( 0.000 26.056 0.000) 26.056 5.416 ( 0.000 -3.960 0.000) 3.960 5.653 ( 0.000 4.466 0.000) 4.466 5.766 ( 0.000 11.451 0.000) 11.451 5.814 ( 0.000 4.216 0.000) 4.216 5.979 ( 0.000 3.153 0.000) 3.153 6.230 ( 0.000 -0.436 0.000) 0.436 6.378 ( 0.000 1.703 0.000) 1.703 6.684 ( 0.000 -16.419 0.000) 16.419 6.850 ( 0.000 -8.804 0.000) 8.804 7.617 ( 0.000 -12.134 0.000) 12.134 9.769 ( 0.000 0.048 0.000) 0.048 10.089 ( 0.000 7.530 0.000) 7.530 10.113 ( 0.000 -4.243 0.000) 4.243 10.295 ( 0.000 12.023 0.000) 12.023 10.366 ( 0.000 -2.483 0.000) 2.483 10.515 ( 0.000 3.028 0.000) 3.028 10.653 ( 0.000 7.631 0.000) 7.631 11.148 ( 0.000 -2.322 0.000) 2.322 13.653 ( 0.000 -3.055 0.000) 3.055 13.738 ( 0.000 -2.203 0.000) 2.203 13.871 ( 0.000 0.421 0.000) 0.421 14.102 ( 0.000 -3.341 0.000) 3.341 14.206 ( 0.000 0.423 0.000) 0.423 14.242 ( 0.000 5.304 0.000) 5.304 14.398 ( 0.000 11.366 0.000) 11.366 14.439 ( 0.000 -2.432 0.000) 2.432 14.441 ( 0.000 4.545 0.000) 4.545 14.621 ( 0.000 6.289 0.000) 6.289 14.857 ( 0.000 -2.447 0.000) 2.447 15.132 ( 0.000 -6.846 0.000) 6.846 24.021 ( 0.000 -0.113 0.000) 0.113 24.024 ( 0.000 -0.103 0.000) 0.103 24.027 ( 0.000 -0.796 0.000) 0.796 24.074 ( 0.000 -1.637 0.000) 1.637 25.293 ( 0.000 0.317 0.000) 0.317 25.448 ( 0.000 -2.807 0.000) 2.807 25.521 ( 0.000 -4.452 0.000) 4.452 25.965 ( 0.000 -13.321 0.000) 13.321 26.532 ( 0.000 5.032 0.000) 5.032 26.599 ( 0.000 8.260 0.000) 8.260 26.666 ( 0.000 -0.596 0.000) 0.596 26.860 ( 0.000 -3.341 0.000) 3.341 27.060 ( 0.000 0.023 0.000) 0.023 27.285 ( 0.000 -7.524 0.000) 7.524 27.584 ( 0.000 13.551 0.000) 13.551 28.272 ( 0.000 0.320 0.000) 0.320 ======================= Grid point 15 (10/60) ======================= q-point: ( 0.14 0.22 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.993 ( 14.540 16.652 0.000) 22.106 1.117 ( 8.698 22.070 0.000) 23.722 1.627 ( 2.019 -1.334 0.000) 2.420 1.760 ( 1.673 14.433 0.000) 14.530 1.876 ( 18.005 1.959 0.000) 18.111 1.917 ( 1.779 -2.348 0.000) 2.946 2.024 ( 14.359 20.835 0.000) 25.304 2.090 ( 8.097 5.601 0.000) 9.845 2.121 ( 2.720 6.564 0.000) 7.106 2.379 ( -1.922 -3.152 0.000) 3.692 2.546 ( 1.579 1.835 0.000) 2.421 2.575 ( 4.103 7.528 0.000) 8.574 2.648 ( 3.008 3.236 0.000) 4.417 2.679 ( 5.318 -1.787 0.000) 5.610 2.854 ( -4.355 4.559 0.000) 6.305 2.857 ( 3.040 -1.944 0.000) 3.609 2.868 ( 3.660 7.067 0.000) 7.958 3.095 ( 1.807 5.139 0.000) 5.447 3.125 ( -7.062 11.668 0.000) 13.639 3.263 ( 2.787 13.811 0.000) 14.089 3.326 ( -4.168 8.721 0.000) 9.666 3.440 ( 0.789 2.454 0.000) 2.578 3.593 ( 5.078 -2.459 0.000) 5.642 3.652 ( 13.038 2.717 0.000) 13.318 3.776 ( -4.384 4.490 0.000) 6.275 3.928 ( 6.620 2.420 0.000) 7.048 4.078 ( -1.329 -13.176 0.000) 13.242 4.435 ( -2.887 -6.070 0.000) 6.722 4.507 ( 2.958 -2.187 0.000) 3.679 4.663 ( 2.297 2.800 0.000) 3.621 4.702 ( -15.290 13.785 0.000) 20.586 4.715 ( -4.435 5.357 0.000) 6.954 4.737 ( 2.967 2.695 0.000) 4.008 5.122 ( -3.846 9.460 0.000) 10.212 5.135 ( -1.915 0.858 0.000) 2.099 5.256 ( 1.897 5.925 0.000) 6.221 5.277 ( 1.643 -5.414 0.000) 5.658 5.385 ( -0.049 11.215 0.000) 11.215 5.453 ( 4.566 12.252 0.000) 13.075 5.650 ( -1.498 3.308 0.000) 3.632 5.749 ( -1.677 12.180 0.000) 12.295 5.806 ( -1.051 7.439 0.000) 7.513 5.895 ( -6.405 3.764 0.000) 7.429 6.188 ( -9.300 2.249 0.000) 9.568 6.426 ( 4.654 0.609 0.000) 4.694 6.566 ( -2.524 -14.730 0.000) 14.945 6.936 ( 8.529 -8.897 0.000) 12.325 7.821 ( 11.492 -20.954 0.000) 23.899 9.843 ( 7.216 -0.171 0.000) 7.218 10.096 ( 0.861 6.385 0.000) 6.443 10.161 ( 4.676 -4.422 0.000) 6.436 10.282 ( -0.506 11.862 0.000) 11.873 10.388 ( 2.103 -0.359 0.000) 2.133 10.490 ( -2.440 3.639 0.000) 4.382 10.704 ( 3.662 7.762 0.000) 8.583 11.117 ( -3.236 -3.131 0.000) 4.503 13.666 ( 1.280 -2.798 0.000) 3.077 13.742 ( 0.373 -2.024 0.000) 2.058 13.843 ( -2.696 0.721 0.000) 2.791 14.074 ( -5.735 -1.497 0.000) 5.928 14.115 ( -3.791 1.141 0.000) 3.959 14.163 ( -6.989 5.412 0.000) 8.839 14.268 ( -4.462 0.782 0.000) 4.530 14.379 ( -2.028 9.812 0.000) 10.019 14.665 ( 3.742 6.021 0.000) 7.089 14.707 ( 9.955 -2.956 0.000) 10.384 14.762 ( -6.872 -2.332 0.000) 7.256 15.059 ( -7.195 -6.576 0.000) 9.747 24.026 ( 0.884 -0.061 0.000) 0.886 24.033 ( 0.601 -0.711 0.000) 0.931 24.046 ( 1.696 -0.206 0.000) 1.709 24.090 ( 1.474 -1.667 0.000) 2.225 25.304 ( 1.077 0.199 0.000) 1.095 25.456 ( 0.312 -2.848 0.000) 2.865 25.535 ( 1.876 -4.687 0.000) 5.048 25.941 ( -2.409 -13.203 0.000) 13.421 26.522 ( -0.555 4.894 0.000) 4.925 26.620 ( 2.241 8.980 0.000) 9.255 26.659 ( -0.781 2.823 0.000) 2.929 26.911 ( 4.648 -1.924 0.000) 5.030 27.113 ( 4.257 -1.684 0.000) 4.578 27.356 ( 7.903 -6.057 0.000) 9.957 27.502 ( -7.855 13.061 0.000) 15.241 28.278 ( -0.186 -4.257 0.000) 4.261 ======================= Grid point 16 (11/60) ======================= q-point: ( 0.29 0.22 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.310 ( 16.926 11.402 0.000) 20.408 1.351 ( 12.988 14.905 0.000) 19.770 1.685 ( 4.657 -0.834 0.000) 4.731 1.787 ( 0.997 14.515 0.000) 14.549 1.975 ( 3.062 -4.435 0.000) 5.389 2.051 ( 4.263 0.102 0.000) 4.264 2.128 ( 1.033 4.553 0.000) 4.669 2.263 ( 7.162 5.528 0.000) 9.047 2.322 ( -1.782 3.244 0.000) 3.701 2.412 ( 11.410 2.291 0.000) 11.638 2.642 ( 7.086 6.215 0.000) 9.425 2.650 ( -3.036 7.815 0.000) 8.384 2.732 ( 11.285 14.800 0.000) 18.611 2.737 ( -0.765 -0.592 0.000) 0.967 2.870 ( 9.535 1.638 0.000) 9.674 2.904 ( 3.074 -1.239 0.000) 3.314 2.956 ( 5.145 11.188 0.000) 12.314 2.977 ( -2.079 9.349 0.000) 9.578 3.166 ( 0.488 6.886 0.000) 6.903 3.250 ( -2.063 13.508 0.000) 13.665 3.353 ( 5.251 5.599 0.000) 7.675 3.474 ( 2.916 0.720 0.000) 3.003 3.629 ( -6.480 2.837 0.000) 7.074 3.760 ( 6.670 4.545 0.000) 8.072 3.886 ( 10.586 -1.211 0.000) 10.655 4.068 ( 1.238 -10.291 0.000) 10.365 4.088 ( 9.777 3.136 0.000) 10.268 4.302 ( -9.963 -0.265 0.000) 9.966 4.451 ( -6.421 11.269 0.000) 12.969 4.607 ( -6.731 7.742 0.000) 10.259 4.644 ( 6.105 2.077 0.000) 6.449 4.726 ( 4.226 2.428 0.000) 4.873 4.828 ( 4.502 2.321 0.000) 5.065 5.027 ( -5.856 5.291 0.000) 7.893 5.120 ( 0.438 -0.566 0.000) 0.716 5.269 ( 0.022 9.814 0.000) 9.814 5.296 ( 1.112 -8.108 0.000) 8.184 5.415 ( 3.396 9.399 0.000) 9.994 5.552 ( 5.298 11.614 0.000) 12.765 5.572 ( -6.201 5.217 0.000) 8.104 5.713 ( -1.559 12.760 0.000) 12.854 5.722 ( -9.118 0.154 0.000) 9.119 5.800 ( -3.236 7.213 0.000) 7.905 5.963 ( -9.910 5.390 0.000) 11.281 6.529 ( 5.397 -1.515 0.000) 5.605 6.600 ( 2.875 -11.814 0.000) 12.158 7.149 ( 13.254 -9.747 0.000) 16.452 7.887 ( -4.398 -20.338 0.000) 20.808 10.001 ( 7.978 -1.165 0.000) 8.063 10.124 ( 1.902 3.770 0.000) 4.222 10.281 ( 6.663 -3.723 0.000) 7.633 10.294 ( 2.753 11.943 0.000) 12.256 10.420 ( -1.678 0.361 0.000) 1.717 10.444 ( 0.365 9.694 0.000) 9.701 10.744 ( 0.529 8.326 0.000) 8.343 11.025 ( -6.378 -5.007 0.000) 8.109 13.699 ( 2.183 -2.037 0.000) 2.986 13.751 ( 0.504 -1.755 0.000) 1.826 13.793 ( -1.900 -0.291 0.000) 1.922 13.955 ( -5.433 -0.356 0.000) 5.444 14.029 ( -5.872 3.901 0.000) 7.049 14.071 ( -3.549 -1.250 0.000) 3.762 14.189 ( -3.103 0.378 0.000) 3.126 14.323 ( -3.682 7.352 0.000) 8.223 14.616 ( -4.526 -0.175 0.000) 4.530 14.734 ( 2.612 4.517 0.000) 5.217 14.861 ( 4.029 -4.397 0.000) 5.963 14.895 ( -8.451 -5.447 0.000) 10.054 24.048 ( 1.201 -0.094 0.000) 1.205 24.048 ( 0.948 -0.529 0.000) 1.085 24.082 ( 1.971 -0.576 0.000) 2.054 24.119 ( 1.216 -1.680 0.000) 2.074 25.332 ( 1.844 -0.204 0.000) 1.855 25.446 ( -1.329 -2.538 0.000) 2.865 25.600 ( 4.713 -5.962 0.000) 7.600 25.880 ( -3.894 -12.477 0.000) 13.070 26.522 ( 0.630 5.257 0.000) 5.294 26.633 ( -1.968 6.897 0.000) 7.173 26.688 ( 5.039 11.179 0.000) 12.262 27.003 ( 3.838 4.300 0.000) 5.764 27.181 ( 2.589 -4.278 0.000) 5.000 27.322 ( -9.915 7.456 0.000) 12.405 27.579 ( 14.419 -4.764 0.000) 15.186 28.235 ( -4.729 -8.098 0.000) 9.378 ======================= Grid point 17 (12/60) ======================= q-point: ( 0.43 0.22 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.541 ( 6.300 8.198 0.000) 10.340 1.556 ( 6.457 6.158 0.000) 8.922 1.784 ( 4.275 3.100 0.000) 5.281 1.804 ( 1.158 11.222 0.000) 11.281 2.009 ( 1.515 -0.534 0.000) 1.606 2.065 ( -2.726 2.016 0.000) 3.391 2.180 ( 4.078 3.271 0.000) 5.228 2.259 ( -3.946 2.793 0.000) 4.834 2.380 ( 5.277 2.762 0.000) 5.956 2.464 ( -3.026 0.222 0.000) 3.035 2.601 ( 0.974 5.570 0.000) 5.654 2.667 ( -4.823 4.179 0.000) 6.382 2.748 ( 3.393 9.330 0.000) 9.928 2.795 ( -2.134 15.684 0.000) 15.828 2.987 ( 4.855 1.269 0.000) 5.018 3.037 ( 1.759 -0.171 0.000) 1.767 3.045 ( 4.061 9.684 0.000) 10.501 3.114 ( 0.152 9.308 0.000) 9.310 3.172 ( 10.369 0.563 0.000) 10.384 3.352 ( 11.702 14.896 0.000) 18.943 3.418 ( -1.885 2.596 0.000) 3.208 3.444 ( -9.378 1.683 0.000) 9.528 3.567 ( 8.934 4.077 0.000) 9.820 3.795 ( -7.490 8.499 0.000) 11.328 4.032 ( 4.892 -5.102 0.000) 7.068 4.115 ( -5.291 -8.320 0.000) 9.860 4.175 ( 7.429 7.581 0.000) 10.614 4.274 ( 7.873 5.941 0.000) 9.863 4.342 ( -4.960 7.948 0.000) 9.368 4.459 ( -8.554 5.850 0.000) 10.363 4.781 ( 7.037 1.904 0.000) 7.290 4.813 ( 4.847 2.972 0.000) 5.686 4.867 ( -1.102 1.863 0.000) 2.164 4.913 ( -5.721 3.432 0.000) 6.671 5.147 ( 2.843 3.198 0.000) 4.279 5.234 ( -4.628 9.706 0.000) 10.753 5.362 ( 6.118 -5.688 0.000) 8.354 5.473 ( -2.900 -1.064 0.000) 3.089 5.474 ( 1.519 6.800 0.000) 6.967 5.529 ( -8.832 0.551 0.000) 8.850 5.644 ( 4.236 11.164 0.000) 11.941 5.726 ( 3.786 9.275 0.000) 10.018 5.728 ( -4.424 12.416 0.000) 13.180 5.827 ( -5.867 5.369 0.000) 7.953 6.609 ( 2.757 -4.187 0.000) 5.013 6.632 ( 0.287 -7.824 0.000) 7.830 7.423 ( 15.210 -12.031 0.000) 19.393 7.704 ( -13.370 -15.749 0.000) 20.659 10.116 ( 4.017 -2.263 0.000) 4.610 10.151 ( 0.274 -0.212 0.000) 0.346 10.325 ( 1.803 8.109 0.000) 8.307 10.363 ( -2.610 5.556 0.000) 6.138 10.428 ( 5.443 7.483 0.000) 9.253 10.467 ( 0.437 12.449 0.000) 12.457 10.765 ( 3.282 1.386 0.000) 3.562 10.884 ( -7.964 -5.749 0.000) 9.822 13.752 ( 3.561 -1.175 0.000) 3.749 13.762 ( 0.692 -2.163 0.000) 2.271 13.773 ( -0.586 -1.790 0.000) 1.883 13.846 ( -5.967 -1.662 0.000) 6.194 13.964 ( -0.892 1.872 0.000) 2.073 13.989 ( -3.356 0.742 0.000) 3.437 14.183 ( 2.041 1.084 0.000) 2.311 14.246 ( -4.093 4.010 0.000) 5.730 14.597 ( 2.153 -0.679 0.000) 2.258 14.683 ( -6.299 -1.426 0.000) 6.458 14.847 ( 2.263 0.012 0.000) 2.263 14.885 ( -0.946 -1.857 0.000) 2.084 24.064 ( 0.521 -0.350 0.000) 0.628 24.065 ( 0.433 -0.200 0.000) 0.478 24.115 ( 1.384 -1.132 0.000) 1.788 24.130 ( -0.100 -1.532 0.000) 1.536 25.371 ( 2.176 -0.898 0.000) 2.354 25.412 ( -2.059 -1.764 0.000) 2.711 25.699 ( 5.358 -8.346 0.000) 9.918 25.797 ( -4.792 -10.808 0.000) 11.823 26.546 ( 1.865 6.462 0.000) 6.725 26.589 ( -2.450 7.626 0.000) 8.010 26.816 ( 8.313 14.864 0.000) 17.031 26.981 ( -7.238 17.736 0.000) 19.156 27.206 ( -0.927 -6.749 0.000) 6.812 27.209 ( 0.282 -5.922 0.000) 5.928 27.860 ( 14.181 -6.005 0.000) 15.400 28.094 ( -10.051 -7.797 0.000) 12.720 ======================= Grid point 21 (13/60) ======================= q-point: ( 0.00 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.180 ( 0.000 16.196 0.000) 16.196 1.501 ( 0.000 19.431 0.000) 19.431 1.618 ( 0.000 -0.097 0.000) 0.097 1.704 ( 0.000 5.193 0.000) 5.193 1.793 ( 0.000 -3.561 0.000) 3.561 2.038 ( 0.000 6.263 0.000) 6.263 2.052 ( 0.000 -4.991 0.000) 4.991 2.101 ( 0.000 6.734 0.000) 6.734 2.246 ( 0.000 9.619 0.000) 9.619 2.477 ( 0.000 11.172 0.000) 11.172 2.498 ( 0.000 -3.738 0.000) 3.738 2.557 ( 0.000 -1.739 0.000) 1.739 2.667 ( 0.000 3.439 0.000) 3.439 2.669 ( 0.000 4.555 0.000) 4.555 2.814 ( 0.000 -2.062 0.000) 2.062 2.904 ( 0.000 4.081 0.000) 4.081 3.020 ( 0.000 -6.838 0.000) 6.838 3.074 ( 0.000 11.363 0.000) 11.363 3.267 ( 0.000 -0.671 0.000) 0.671 3.369 ( 0.000 -10.823 0.000) 10.823 3.455 ( 0.000 2.186 0.000) 2.186 3.612 ( 0.000 17.752 0.000) 17.752 3.617 ( 0.000 6.319 0.000) 6.319 3.673 ( 0.000 13.973 0.000) 13.973 3.870 ( 0.000 -7.862 0.000) 7.862 3.881 ( 0.000 1.111 0.000) 1.111 3.999 ( 0.000 11.559 0.000) 11.559 4.288 ( 0.000 -7.005 0.000) 7.005 4.445 ( 0.000 0.820 0.000) 0.820 4.662 ( 0.000 -0.883 0.000) 0.883 4.667 ( 0.000 -3.519 0.000) 3.519 4.910 ( 0.000 7.914 0.000) 7.914 5.009 ( 0.000 -11.166 0.000) 11.166 5.071 ( 0.000 -8.904 0.000) 8.904 5.164 ( 0.000 10.940 0.000) 10.940 5.165 ( 0.000 -4.895 0.000) 4.895 5.404 ( 0.000 -1.902 0.000) 1.902 5.474 ( 0.000 8.041 0.000) 8.041 5.756 ( 0.000 5.963 0.000) 5.963 5.864 ( 0.000 22.860 0.000) 22.860 5.952 ( 0.000 6.330 0.000) 6.330 6.042 ( 0.000 14.792 0.000) 14.792 6.079 ( 0.000 12.489 0.000) 12.489 6.224 ( 0.000 -0.147 0.000) 0.147 6.405 ( 0.000 -11.439 0.000) 11.439 6.419 ( 0.000 2.543 0.000) 2.543 6.699 ( 0.000 -6.827 0.000) 6.827 7.331 ( 0.000 -17.544 0.000) 17.544 9.795 ( 0.000 2.493 0.000) 2.493 10.031 ( 0.000 -4.438 0.000) 4.438 10.142 ( 0.000 -0.408 0.000) 0.408 10.292 ( 0.000 -4.968 0.000) 4.968 10.516 ( 0.000 10.600 0.000) 10.600 10.675 ( 0.000 11.801 0.000) 11.801 10.760 ( 0.000 3.290 0.000) 3.290 11.106 ( 0.000 -2.387 0.000) 2.387 13.618 ( 0.000 -0.701 0.000) 0.701 13.696 ( 0.000 -2.212 0.000) 2.212 13.887 ( 0.000 1.269 0.000) 1.269 14.036 ( 0.000 -3.423 0.000) 3.423 14.223 ( 0.000 1.428 0.000) 1.428 14.359 ( 0.000 6.874 0.000) 6.874 14.384 ( 0.000 -3.250 0.000) 3.250 14.536 ( 0.000 5.192 0.000) 5.192 14.577 ( 0.000 6.448 0.000) 6.448 14.743 ( 0.000 5.936 0.000) 5.936 14.801 ( 0.000 -3.404 0.000) 3.404 14.994 ( 0.000 -6.955 0.000) 6.955 24.013 ( 0.000 -0.610 0.000) 0.610 24.020 ( 0.000 -0.005 0.000) 0.005 24.023 ( 0.000 -0.056 0.000) 0.056 24.042 ( 0.000 -1.600 0.000) 1.600 25.314 ( 0.000 2.053 0.000) 2.053 25.398 ( 0.000 -2.184 0.000) 2.184 25.440 ( 0.000 -3.733 0.000) 3.733 25.716 ( 0.000 -12.090 0.000) 12.090 26.634 ( 0.000 5.542 0.000) 5.542 26.662 ( 0.000 0.344 0.000) 0.344 26.748 ( 0.000 6.545 0.000) 6.545 26.792 ( 0.000 -3.621 0.000) 3.621 27.057 ( 0.000 -0.459 0.000) 0.459 27.136 ( 0.000 -7.435 0.000) 7.435 27.839 ( 0.000 12.512 0.000) 12.512 28.260 ( 0.000 -1.829 0.000) 1.829 ======================= Grid point 22 (14/60) ======================= q-point: ( 0.14 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.289 ( 10.305 13.873 0.000) 17.282 1.522 ( 4.362 18.905 0.000) 19.402 1.622 ( 2.299 1.800 0.000) 2.920 1.817 ( 2.401 -4.933 0.000) 5.486 1.870 ( 9.546 -1.708 0.000) 9.697 1.994 ( -1.075 7.589 0.000) 7.664 2.144 ( 9.989 -4.829 0.000) 11.095 2.218 ( 5.424 5.799 0.000) 7.940 2.258 ( 2.985 7.243 0.000) 7.835 2.480 ( 0.169 9.998 0.000) 9.999 2.558 ( 6.658 -0.276 0.000) 6.663 2.637 ( 6.271 -0.933 0.000) 6.340 2.705 ( 3.253 2.178 0.000) 3.915 2.743 ( 8.490 7.274 0.000) 11.180 2.815 ( 1.771 -2.081 0.000) 2.733 2.967 ( -3.840 5.695 0.000) 6.869 2.990 ( 7.436 5.007 0.000) 8.964 3.114 ( 0.952 -1.167 0.000) 1.506 3.203 ( -2.968 1.121 0.000) 3.172 3.352 ( -0.272 -5.761 0.000) 5.767 3.473 ( 0.782 2.212 0.000) 2.347 3.616 ( -1.231 15.593 0.000) 15.641 3.712 ( 8.937 13.025 0.000) 15.796 3.732 ( 8.299 4.576 0.000) 9.477 3.863 ( -0.489 -7.633 0.000) 7.649 3.924 ( -6.688 10.357 0.000) 12.329 3.985 ( 8.191 3.243 0.000) 8.810 4.321 ( 1.899 -4.280 0.000) 4.683 4.475 ( 3.119 -0.187 0.000) 3.125 4.663 ( 1.022 -3.052 0.000) 3.218 4.709 ( 3.052 -3.400 0.000) 4.569 4.878 ( -9.317 1.314 0.000) 9.409 4.897 ( -1.411 9.441 0.000) 9.546 5.047 ( -1.957 -6.487 0.000) 6.776 5.136 ( -1.348 -6.194 0.000) 6.339 5.177 ( -1.294 2.922 0.000) 3.196 5.415 ( 0.718 -2.486 0.000) 2.588 5.430 ( -3.493 5.959 0.000) 6.908 5.706 ( -4.457 3.255 0.000) 5.519 5.881 ( 1.496 21.332 0.000) 21.385 5.912 ( -7.165 -0.372 0.000) 7.174 6.027 ( -1.497 14.372 0.000) 14.450 6.054 ( -1.138 15.658 0.000) 15.699 6.224 ( -6.548 1.437 0.000) 6.703 6.355 ( 3.856 -4.639 0.000) 6.032 6.457 ( 3.790 2.735 0.000) 4.674 6.782 ( 8.116 -6.941 0.000) 10.679 7.435 ( 7.314 -20.174 0.000) 21.459 9.859 ( 6.167 1.894 0.000) 6.451 10.075 ( 4.332 -4.521 0.000) 6.262 10.138 ( -0.154 -0.218 0.000) 0.266 10.324 ( 2.803 -5.413 0.000) 6.096 10.510 ( 0.047 11.310 0.000) 11.310 10.669 ( -0.412 12.224 0.000) 12.231 10.807 ( 3.904 2.744 0.000) 4.771 11.071 ( -3.559 -1.995 0.000) 4.080 13.633 ( 1.547 -0.674 0.000) 1.688 13.703 ( 0.717 -2.032 0.000) 2.155 13.864 ( -2.398 1.460 0.000) 2.807 14.014 ( -2.650 -3.486 0.000) 4.379 14.157 ( -6.206 2.411 0.000) 6.658 14.275 ( -5.514 -0.269 0.000) 5.521 14.279 ( -7.517 6.785 0.000) 10.126 14.533 ( -4.257 5.216 0.000) 6.733 14.671 ( 8.123 -0.773 0.000) 8.159 14.730 ( -6.018 -1.426 0.000) 6.185 14.776 ( 2.558 5.007 0.000) 5.622 14.932 ( -5.917 -5.803 0.000) 8.288 24.020 ( 0.799 -0.471 0.000) 0.928 24.027 ( 0.935 0.130 0.000) 0.944 24.041 ( 1.511 -0.226 0.000) 1.528 24.057 ( 1.409 -1.670 0.000) 2.185 25.321 ( 0.754 1.836 0.000) 1.985 25.406 ( 0.425 -2.173 0.000) 2.214 25.451 ( 1.396 -3.830 0.000) 4.077 25.700 ( -1.626 -11.558 0.000) 11.671 26.621 ( -0.695 5.286 0.000) 5.331 26.693 ( 2.608 1.323 0.000) 2.924 26.775 ( 2.708 6.003 0.000) 6.585 26.849 ( 5.502 -3.865 0.000) 6.723 27.074 ( 2.226 -1.853 0.000) 2.896 27.246 ( 10.177 -5.052 0.000) 11.362 27.759 ( -8.072 12.868 0.000) 15.190 28.215 ( -4.488 -3.291 0.000) 5.565 ======================= Grid point 23 (15/60) ======================= q-point: ( 0.29 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.508 ( 10.941 8.582 0.000) 13.905 1.606 ( 3.137 8.063 0.000) 8.651 1.733 ( 8.285 8.264 0.000) 11.702 1.863 ( 1.877 -5.802 0.000) 6.098 1.998 ( 5.199 -4.641 0.000) 6.968 2.011 ( 2.591 8.805 0.000) 9.178 2.241 ( 0.761 7.282 0.000) 7.321 2.326 ( 5.441 -1.640 0.000) 5.682 2.375 ( 5.722 4.470 0.000) 7.261 2.493 ( 1.485 6.228 0.000) 6.402 2.675 ( 3.410 -4.748 0.000) 5.846 2.734 ( -2.652 3.096 0.000) 4.077 2.742 ( 4.203 2.618 0.000) 4.951 2.901 ( 5.257 2.498 0.000) 5.820 2.910 ( 7.828 1.033 0.000) 7.896 3.012 ( 8.005 3.433 0.000) 8.710 3.096 ( 4.259 8.770 0.000) 9.750 3.149 ( 8.607 9.273 0.000) 12.652 3.192 ( -0.283 -2.751 0.000) 2.765 3.383 ( 2.816 -0.337 0.000) 2.836 3.509 ( 2.505 5.202 0.000) 5.774 3.620 ( 2.188 19.104 0.000) 19.229 3.746 ( -9.812 4.170 0.000) 10.661 3.842 ( 1.711 -0.737 0.000) 1.863 3.883 ( 6.216 0.998 0.000) 6.296 3.960 ( 10.624 6.250 0.000) 12.326 4.157 ( 9.852 3.366 0.000) 10.411 4.317 ( -2.099 2.251 0.000) 3.078 4.540 ( 2.026 0.404 0.000) 2.066 4.671 ( -2.992 -2.423 0.000) 3.850 4.751 ( 2.329 -4.973 0.000) 5.491 4.760 ( -1.430 5.599 0.000) 5.779 4.888 ( 1.533 6.995 0.000) 7.161 5.033 ( 1.247 -3.521 0.000) 3.735 5.104 ( -5.596 3.382 0.000) 6.539 5.160 ( 4.029 -4.834 0.000) 6.292 5.381 ( -1.403 1.025 0.000) 1.737 5.429 ( 0.934 -3.944 0.000) 4.053 5.587 ( -10.068 -1.032 0.000) 10.121 5.678 ( -12.925 -2.572 0.000) 13.178 5.911 ( 1.553 17.918 0.000) 17.985 5.990 ( -2.112 13.625 0.000) 13.787 6.038 ( -1.431 12.737 0.000) 12.817 6.087 ( -5.853 6.038 0.000) 8.409 6.485 ( 6.934 2.334 0.000) 7.316 6.544 ( 4.584 3.610 0.000) 5.835 6.976 ( 11.506 -8.108 0.000) 14.076 7.505 ( -0.908 -19.597 0.000) 19.618 9.990 ( 6.396 0.287 0.000) 6.402 10.140 ( 0.112 -0.269 0.000) 0.291 10.183 ( 6.777 -5.431 0.000) 8.685 10.370 ( 1.474 -5.512 0.000) 5.706 10.539 ( 3.185 12.475 0.000) 12.875 10.676 ( 1.455 12.455 0.000) 12.539 10.867 ( 1.542 3.591 0.000) 3.908 10.976 ( -6.241 -0.449 0.000) 6.257 13.673 ( 2.551 -0.659 0.000) 2.634 13.720 ( 0.938 -1.529 0.000) 1.793 13.803 ( -3.466 1.173 0.000) 3.659 13.926 ( -5.937 -2.355 0.000) 6.387 14.064 ( -3.563 0.778 0.000) 3.647 14.119 ( -8.064 5.533 0.000) 9.780 14.184 ( -3.658 -1.103 0.000) 3.821 14.421 ( -7.410 1.534 0.000) 7.567 14.631 ( -2.988 1.801 0.000) 3.489 14.791 ( -5.544 0.079 0.000) 5.545 14.795 ( 4.570 -2.803 0.000) 5.361 14.830 ( 0.506 0.755 0.000) 0.909 24.040 ( 1.154 -0.241 0.000) 1.179 24.049 ( 1.128 0.145 0.000) 1.138 24.072 ( 1.514 -0.489 0.000) 1.591 24.085 ( 1.298 -1.684 0.000) 2.127 25.341 ( 1.240 1.284 0.000) 1.785 25.404 ( -0.530 -1.558 0.000) 1.646 25.496 ( 3.049 -4.765 0.000) 5.657 25.660 ( -2.375 -10.186 0.000) 10.459 26.625 ( 1.279 5.393 0.000) 5.543 26.732 ( 0.875 3.869 0.000) 3.967 26.855 ( 5.880 4.037 0.000) 7.132 26.970 ( 6.347 -4.636 0.000) 7.859 27.130 ( 3.184 0.972 0.000) 3.329 27.481 ( 13.612 -5.385 0.000) 14.639 27.555 ( -12.578 13.726 0.000) 18.617 28.102 ( -7.090 -6.230 0.000) 9.439 ======================= Grid point 24 (16/60) ======================= q-point: ( 0.43 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.649 ( 3.265 3.655 0.000) 4.901 1.654 ( 1.783 3.882 0.000) 4.272 1.854 ( 3.672 2.061 0.000) 4.211 1.883 ( 0.103 -3.256 0.000) 3.257 2.073 ( 3.113 8.221 0.000) 8.791 2.081 ( 2.737 2.141 0.000) 3.475 2.279 ( 3.195 7.085 0.000) 7.772 2.341 ( -2.345 5.133 0.000) 5.643 2.455 ( 2.873 4.213 0.000) 5.100 2.501 ( -1.664 3.448 0.000) 3.828 2.674 ( -1.045 2.934 0.000) 3.115 2.687 ( -1.152 -1.365 0.000) 1.786 2.815 ( 4.216 -1.572 0.000) 4.500 2.901 ( -4.234 -2.963 0.000) 5.168 3.054 ( 6.275 -0.863 0.000) 6.334 3.124 ( 0.820 -3.847 0.000) 3.933 3.233 ( 9.517 6.449 0.000) 11.496 3.260 ( 5.652 13.417 0.000) 14.559 3.269 ( 2.386 17.245 0.000) 17.409 3.437 ( 1.403 0.909 0.000) 1.672 3.526 ( -1.135 6.719 0.000) 6.814 3.529 ( -10.704 6.569 0.000) 12.559 3.765 ( 13.175 10.180 0.000) 16.650 3.893 ( 3.063 -7.891 0.000) 8.465 3.944 ( 0.256 -0.498 0.000) 0.560 4.021 ( -7.872 8.072 0.000) 11.275 4.351 ( 10.151 2.048 0.000) 10.356 4.357 ( 8.326 9.215 0.000) 12.419 4.505 ( -5.387 6.542 0.000) 8.474 4.536 ( -9.164 0.487 0.000) 9.177 4.816 ( 4.757 0.253 0.000) 4.764 4.836 ( 4.731 -5.152 0.000) 6.995 4.913 ( 0.770 5.712 0.000) 5.763 4.991 ( -5.855 4.925 0.000) 7.650 5.102 ( 6.441 -2.440 0.000) 6.888 5.273 ( 6.703 -3.012 0.000) 7.348 5.307 ( -14.862 -3.008 0.000) 15.163 5.360 ( -1.882 -2.084 0.000) 2.808 5.457 ( 2.111 -5.337 0.000) 5.739 5.525 ( -5.490 -3.629 0.000) 6.581 5.943 ( 1.924 13.578 0.000) 13.714 5.967 ( 0.269 13.141 0.000) 13.144 5.991 ( -3.194 9.642 0.000) 10.157 6.003 ( -3.034 12.024 0.000) 12.401 6.585 ( 3.255 4.533 0.000) 5.581 6.604 ( 1.257 4.577 0.000) 4.746 7.202 ( 11.855 -10.926 0.000) 16.122 7.406 ( -8.818 -15.265 0.000) 17.629 10.084 ( 3.570 -0.726 0.000) 3.643 10.130 ( -1.377 -0.765 0.000) 1.575 10.307 ( 5.329 -6.297 0.000) 8.249 10.371 ( -1.494 -5.087 0.000) 5.302 10.630 ( 5.916 11.831 0.000) 13.228 10.707 ( -0.039 11.316 0.000) 11.316 10.860 ( -1.757 5.522 0.000) 5.795 10.861 ( -4.100 3.051 0.000) 5.110 13.726 ( 2.572 -0.979 0.000) 2.752 13.738 ( 1.530 -0.841 0.000) 1.746 13.753 ( -1.639 -0.239 0.000) 1.656 13.813 ( -5.434 -1.734 0.000) 5.704 14.006 ( -1.996 1.299 0.000) 2.381 14.010 ( -2.888 3.115 0.000) 4.247 14.172 ( 2.594 -2.314 0.000) 3.476 14.272 ( -7.353 -1.928 0.000) 7.602 14.621 ( 1.616 3.304 0.000) 3.677 14.682 ( -4.658 2.254 0.000) 5.175 14.849 ( 1.304 -2.159 0.000) 2.522 14.853 ( 0.746 -0.085 0.000) 0.751 24.059 ( 0.683 -0.075 0.000) 0.687 24.063 ( 0.297 0.049 0.000) 0.301 24.095 ( 0.829 -0.955 0.000) 1.264 24.101 ( 0.254 -1.436 0.000) 1.458 25.366 ( 1.314 0.501 0.000) 1.406 25.389 ( -1.055 -0.499 0.000) 1.167 25.556 ( 3.133 -6.462 0.000) 7.181 25.612 ( -2.728 -8.382 0.000) 8.815 26.667 ( 2.801 5.938 0.000) 6.565 26.718 ( -2.130 5.810 0.000) 6.188 26.992 ( 7.628 -1.577 0.000) 7.789 27.058 ( 1.783 -7.074 0.000) 7.295 27.186 ( 3.078 8.527 0.000) 9.066 27.316 ( -11.251 15.549 0.000) 19.193 27.735 ( 12.505 -6.967 0.000) 14.315 27.945 ( -9.537 -7.730 0.000) 12.276 ======================= Grid point 28 (17/60) ======================= q-point: ( 0.00 0.44 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.465 ( 0.000 13.417 0.000) 13.417 1.653 ( 0.000 4.270 0.000) 4.270 1.679 ( 0.000 -8.485 0.000) 8.485 1.737 ( 0.000 -2.596 0.000) 2.596 1.805 ( 0.000 10.901 0.000) 10.901 1.939 ( 0.000 -4.894 0.000) 4.894 2.113 ( 0.000 2.431 0.000) 2.431 2.152 ( 0.000 -0.932 0.000) 0.932 2.415 ( 0.000 6.041 0.000) 6.041 2.508 ( 0.000 -3.704 0.000) 3.704 2.539 ( 0.000 8.556 0.000) 8.556 2.637 ( 0.000 5.667 0.000) 5.667 2.703 ( 0.000 -0.966 0.000) 0.966 2.715 ( 0.000 -7.983 0.000) 7.983 2.741 ( 0.000 4.514 0.000) 4.514 2.863 ( 0.000 -8.143 0.000) 8.143 3.006 ( 0.000 6.868 0.000) 6.868 3.167 ( 0.000 -9.693 0.000) 9.693 3.255 ( 0.000 4.303 0.000) 4.303 3.270 ( 0.000 0.633 0.000) 0.633 3.526 ( 0.000 6.768 0.000) 6.768 3.647 ( 0.000 -3.433 0.000) 3.433 3.791 ( 0.000 -0.302 0.000) 0.302 3.806 ( 0.000 1.475 0.000) 1.475 3.870 ( 0.000 5.598 0.000) 5.598 3.904 ( 0.000 0.826 0.000) 0.826 4.233 ( 0.000 10.317 0.000) 10.317 4.262 ( 0.000 4.508 0.000) 4.508 4.535 ( 0.000 8.904 0.000) 8.904 4.567 ( 0.000 -6.153 0.000) 6.153 4.569 ( 0.000 -7.011 0.000) 7.011 4.763 ( 0.000 -13.544 0.000) 13.544 4.981 ( 0.000 -0.186 0.000) 0.186 5.010 ( 0.000 -0.800 0.000) 0.800 5.142 ( 0.000 6.117 0.000) 6.117 5.300 ( 0.000 -8.017 0.000) 8.017 5.360 ( 0.000 9.009 0.000) 9.009 5.493 ( 0.000 -4.193 0.000) 4.193 5.871 ( 0.000 5.709 0.000) 5.709 5.960 ( 0.000 -3.057 0.000) 3.057 6.202 ( 0.000 10.899 0.000) 10.899 6.227 ( 0.000 0.569 0.000) 0.569 6.249 ( 0.000 5.345 0.000) 5.345 6.261 ( 0.000 -3.711 0.000) 3.711 6.477 ( 0.000 3.828 0.000) 3.828 6.488 ( 0.000 24.662 0.000) 24.662 6.578 ( 0.000 -6.092 0.000) 6.092 6.947 ( 0.000 -22.292 0.000) 22.292 9.859 ( 0.000 4.020 0.000) 4.020 9.943 ( 0.000 -4.582 0.000) 4.582 10.140 ( 0.000 1.119 0.000) 1.119 10.196 ( 0.000 -4.414 0.000) 4.414 10.687 ( 0.000 6.891 0.000) 6.891 10.773 ( 0.000 -1.957 0.000) 1.957 10.893 ( 0.000 9.839 0.000) 9.839 11.038 ( 0.000 -5.208 0.000) 5.208 13.623 ( 0.000 1.114 0.000) 1.114 13.655 ( 0.000 -2.029 0.000) 2.029 13.921 ( 0.000 2.285 0.000) 2.285 13.973 ( 0.000 -3.076 0.000) 3.076 14.262 ( 0.000 2.576 0.000) 2.576 14.319 ( 0.000 -3.307 0.000) 3.307 14.500 ( 0.000 7.377 0.000) 7.377 14.613 ( 0.000 -3.047 0.000) 3.047 14.635 ( 0.000 5.071 0.000) 5.071 14.727 ( 0.000 -4.340 0.000) 4.340 14.836 ( 0.000 3.562 0.000) 3.562 14.892 ( 0.000 -3.290 0.000) 3.290 24.007 ( 0.000 0.057 0.000) 0.057 24.017 ( 0.000 -0.949 0.000) 0.949 24.020 ( 0.000 0.072 0.000) 0.072 24.022 ( 0.000 -0.062 0.000) 0.062 25.372 ( 0.000 -0.415 0.000) 0.415 25.380 ( 0.000 5.072 0.000) 5.072 25.385 ( 0.000 -1.836 0.000) 1.836 25.514 ( 0.000 -8.816 0.000) 8.816 26.682 ( 0.000 1.707 0.000) 1.707 26.727 ( 0.000 -2.959 0.000) 2.959 26.741 ( 0.000 5.422 0.000) 5.422 26.814 ( 0.000 -0.670 0.000) 0.670 27.035 ( 0.000 -2.051 0.000) 2.051 27.040 ( 0.000 -1.228 0.000) 1.228 28.051 ( 0.000 9.325 0.000) 9.325 28.192 ( 0.000 -5.353 0.000) 5.353 ======================= Grid point 29 (18/60) ======================= q-point: ( 0.14 0.44 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.524 ( 5.607 10.631 0.000) 12.019 1.671 ( 1.590 4.876 0.000) 5.129 1.698 ( 2.059 -7.507 0.000) 7.784 1.784 ( 2.096 -5.787 0.000) 6.155 1.857 ( 7.310 13.129 0.000) 15.027 2.044 ( 9.976 -6.267 0.000) 11.781 2.116 ( 1.652 5.817 0.000) 6.047 2.223 ( 5.231 -4.409 0.000) 6.841 2.419 ( 0.666 8.541 0.000) 8.567 2.541 ( 3.094 -2.959 0.000) 4.281 2.634 ( -0.172 6.302 0.000) 6.304 2.660 ( 9.101 3.498 0.000) 9.750 2.714 ( 1.466 -1.655 0.000) 2.211 2.751 ( 4.595 -4.712 0.000) 6.581 2.839 ( 9.003 4.079 0.000) 9.884 2.936 ( 7.241 -5.769 0.000) 9.259 3.088 ( 8.323 5.772 0.000) 10.128 3.150 ( -8.128 3.314 0.000) 8.778 3.207 ( -6.010 -1.885 0.000) 6.298 3.215 ( 5.664 -7.208 0.000) 9.167 3.582 ( 4.723 8.470 0.000) 9.698 3.710 ( 5.347 -3.340 0.000) 6.304 3.777 ( -1.262 1.209 0.000) 1.748 3.838 ( 2.478 -2.449 0.000) 3.484 3.906 ( 4.968 9.732 0.000) 10.927 4.014 ( 8.373 -1.478 0.000) 8.502 4.188 ( -2.403 15.327 0.000) 15.514 4.329 ( 4.508 3.343 0.000) 5.612 4.540 ( 0.714 7.617 0.000) 7.650 4.551 ( -1.517 -9.069 0.000) 9.195 4.560 ( -0.491 -7.965 0.000) 7.980 4.743 ( -1.788 -11.640 0.000) 11.777 4.985 ( 1.020 1.293 0.000) 1.647 5.032 ( 1.777 -2.980 0.000) 3.470 5.116 ( -1.838 9.553 0.000) 9.728 5.302 ( 0.009 -8.599 0.000) 8.599 5.309 ( -4.545 8.373 0.000) 9.527 5.438 ( -4.911 -4.120 0.000) 6.410 5.783 ( -8.258 4.500 0.000) 9.405 5.866 ( -9.880 -3.760 0.000) 10.571 6.183 ( -1.695 9.035 0.000) 9.193 6.204 ( -1.601 1.285 0.000) 2.054 6.218 ( -3.274 -0.941 0.000) 3.407 6.222 ( -2.487 4.629 0.000) 5.255 6.538 ( 5.929 5.830 0.000) 8.315 6.581 ( 7.946 22.844 0.000) 24.186 6.660 ( 7.618 -6.253 0.000) 9.856 7.027 ( 6.435 -22.485 0.000) 23.388 9.912 ( 4.992 3.494 0.000) 6.093 9.989 ( 4.325 -4.351 0.000) 6.135 10.146 ( 0.584 1.774 0.000) 1.868 10.215 ( 1.739 -5.179 0.000) 5.463 10.699 ( 1.514 7.957 0.000) 8.100 10.805 ( 3.030 -2.932 0.000) 4.216 10.885 ( -0.732 9.356 0.000) 9.384 11.016 ( -2.140 -4.418 0.000) 4.909 13.637 ( 1.421 0.979 0.000) 1.726 13.665 ( 1.086 -1.840 0.000) 2.137 13.899 ( -2.296 2.267 0.000) 3.227 13.951 ( -2.434 -3.049 0.000) 3.901 14.206 ( -5.657 2.650 0.000) 6.247 14.252 ( -5.502 -1.986 0.000) 5.849 14.419 ( -7.809 7.488 0.000) 10.819 14.542 ( -7.007 -4.181 0.000) 8.160 14.675 ( 3.045 1.031 0.000) 3.215 14.702 ( -1.644 -1.544 0.000) 2.256 14.844 ( 0.491 2.034 0.000) 2.093 14.867 ( -2.386 -1.150 0.000) 2.648 24.017 ( 1.047 0.222 0.000) 1.071 24.030 ( 1.271 -1.082 0.000) 1.669 24.031 ( 1.079 0.280 0.000) 1.115 24.037 ( 1.296 -0.287 0.000) 1.327 25.380 ( 0.695 -0.374 0.000) 0.790 25.382 ( 0.214 4.717 0.000) 4.722 25.394 ( 1.035 -1.889 0.000) 2.154 25.507 ( -0.602 -8.317 0.000) 8.339 26.723 ( -0.918 5.234 0.000) 5.314 26.724 ( 3.931 2.146 0.000) 4.479 26.778 ( 4.781 -3.377 0.000) 5.854 26.807 ( -0.143 -2.575 0.000) 2.579 27.084 ( 6.213 3.115 0.000) 6.950 27.160 ( 9.532 -4.236 0.000) 10.431 27.979 ( -7.288 9.744 0.000) 12.168 28.129 ( -6.303 -5.950 0.000) 8.668 ======================= Grid point 30 (19/60) ======================= q-point: ( 0.29 0.44 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.641 ( 5.632 5.779 0.000) 8.069 1.702 ( 1.469 4.779 0.000) 5.000 1.749 ( 2.847 -5.762 0.000) 6.426 1.805 ( 0.614 -4.817 0.000) 4.856 2.048 ( 10.698 11.231 0.000) 15.511 2.176 ( 4.259 8.578 0.000) 9.577 2.243 ( 9.168 -7.514 0.000) 11.854 2.317 ( 4.113 -3.939 0.000) 5.695 2.454 ( 3.247 7.202 0.000) 7.900 2.582 ( 1.509 -5.058 0.000) 5.278 2.630 ( -0.458 7.228 0.000) 7.243 2.736 ( -0.064 -3.133 0.000) 3.134 2.788 ( 3.882 3.202 0.000) 5.032 2.871 ( 5.932 -4.582 0.000) 7.496 2.980 ( -4.577 5.362 0.000) 7.049 3.044 ( 3.580 1.586 0.000) 3.915 3.105 ( 0.825 -4.348 0.000) 4.425 3.137 ( 12.923 -3.444 0.000) 13.374 3.301 ( 13.121 6.187 0.000) 14.507 3.388 ( 11.094 -1.465 0.000) 11.190 3.676 ( 4.035 9.587 0.000) 10.402 3.730 ( -4.260 2.752 0.000) 5.072 3.798 ( 2.859 -2.048 0.000) 3.516 3.839 ( -3.673 -4.404 0.000) 5.735 4.019 ( 5.762 12.460 0.000) 13.728 4.174 ( 8.088 -2.850 0.000) 8.575 4.190 ( 2.937 15.290 0.000) 15.569 4.409 ( 3.906 5.736 0.000) 6.939 4.508 ( -2.602 -13.606 0.000) 13.852 4.572 ( 2.524 4.374 0.000) 5.050 4.576 ( 2.340 -8.046 0.000) 8.379 4.715 ( -0.626 -8.472 0.000) 8.495 5.033 ( 3.865 2.286 0.000) 4.490 5.051 ( 0.406 3.158 0.000) 3.184 5.126 ( 3.496 5.089 0.000) 6.174 5.216 ( -4.760 7.806 0.000) 9.143 5.301 ( 0.039 -8.941 0.000) 8.941 5.343 ( -4.378 -4.519 0.000) 6.292 5.587 ( -12.614 1.351 0.000) 12.686 5.629 ( -12.596 -2.605 0.000) 12.863 6.147 ( -1.896 6.522 0.000) 6.792 6.163 ( -2.590 2.223 0.000) 3.413 6.170 ( -2.675 4.185 0.000) 4.967 6.171 ( -1.940 1.681 0.000) 2.567 6.669 ( 6.902 8.518 0.000) 10.964 6.726 ( 6.308 19.559 0.000) 20.551 6.829 ( 9.352 -7.706 0.000) 12.118 7.122 ( 2.519 -20.500 0.000) 20.654 10.017 ( 5.239 2.551 0.000) 5.827 10.086 ( 5.396 -4.505 0.000) 7.030 10.157 ( 0.301 2.629 0.000) 2.646 10.246 ( 1.055 -6.301 0.000) 6.388 10.750 ( 3.721 9.025 0.000) 9.762 10.870 ( 3.232 -3.188 0.000) 4.540 10.875 ( -0.099 7.677 0.000) 7.678 10.964 ( -3.002 -1.896 0.000) 3.551 13.673 ( 2.243 0.598 0.000) 2.322 13.692 ( 1.625 -1.309 0.000) 2.087 13.834 ( -4.322 1.979 0.000) 4.753 13.877 ( -5.074 -2.526 0.000) 5.668 14.097 ( -4.595 2.409 0.000) 5.189 14.147 ( -4.619 -2.523 0.000) 5.264 14.240 ( -9.814 6.906 0.000) 12.000 14.369 ( -10.278 -5.811 0.000) 11.807 14.681 ( 0.284 3.108 0.000) 3.121 14.741 ( 3.103 -3.012 0.000) 4.324 14.813 ( -3.020 2.326 0.000) 3.812 14.845 ( -0.439 -0.455 0.000) 0.632 24.042 ( 1.325 0.421 0.000) 1.390 24.054 ( 1.115 0.387 0.000) 1.180 24.057 ( 1.373 -1.178 0.000) 1.809 24.062 ( 1.232 -0.482 0.000) 1.323 25.389 ( 0.415 3.859 0.000) 3.881 25.392 ( 0.531 0.416 0.000) 0.674 25.423 ( 1.724 -2.741 0.000) 3.238 25.493 ( -0.798 -7.099 0.000) 7.143 26.729 ( 1.612 5.389 0.000) 5.625 26.800 ( 3.114 3.566 0.000) 4.735 26.829 ( 2.494 -4.595 0.000) 5.228 26.877 ( 4.758 -4.579 0.000) 6.604 27.232 ( 8.645 7.436 0.000) 11.403 27.369 ( 11.739 -6.498 0.000) 13.417 27.796 ( -11.109 10.982 0.000) 15.621 27.974 ( -9.414 -7.626 0.000) 12.115 ======================= Grid point 31 (20/60) ======================= q-point: ( 0.43 0.44 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.713 ( 1.888 3.485 0.000) 3.964 1.723 ( 0.566 3.936 0.000) 3.976 1.793 ( 1.624 -4.833 0.000) 5.098 1.810 ( -0.196 -4.741 0.000) 4.746 2.212 ( 5.719 9.353 0.000) 10.963 2.247 ( 1.958 9.017 0.000) 9.227 2.360 ( 2.972 -4.358 0.000) 5.275 2.369 ( 1.411 -1.175 0.000) 1.836 2.534 ( 4.437 4.690 0.000) 6.456 2.604 ( -2.622 6.421 0.000) 6.936 2.618 ( 2.907 -4.134 0.000) 5.054 2.692 ( -4.035 -1.982 0.000) 4.495 2.832 ( 1.642 3.783 0.000) 4.124 2.881 ( -3.993 2.808 0.000) 4.882 2.951 ( 2.849 -7.491 0.000) 8.014 2.998 ( -2.614 -7.781 0.000) 8.208 3.323 ( 13.841 4.672 0.000) 14.608 3.393 ( 12.223 -0.942 0.000) 12.259 3.487 ( 1.602 4.550 0.000) 4.824 3.579 ( 6.041 0.970 0.000) 6.118 3.598 ( -6.788 9.476 0.000) 11.656 3.698 ( -2.241 8.758 0.000) 9.040 3.758 ( -1.508 -4.977 0.000) 5.201 3.797 ( -2.738 -2.350 0.000) 3.608 4.116 ( 4.806 12.959 0.000) 13.821 4.201 ( -3.146 10.924 0.000) 11.368 4.319 ( 6.936 -6.303 0.000) 9.372 4.434 ( -5.164 -10.944 0.000) 12.101 4.514 ( 6.800 7.331 0.000) 9.999 4.598 ( -1.090 4.411 0.000) 4.544 4.661 ( 5.442 -8.955 0.000) 10.479 4.718 ( -0.135 -8.132 0.000) 8.133 5.074 ( 2.166 8.753 0.000) 9.017 5.126 ( 6.083 2.668 0.000) 6.643 5.134 ( -3.875 8.732 0.000) 9.553 5.224 ( 6.085 -1.321 0.000) 6.227 5.262 ( -5.940 -3.204 0.000) 6.749 5.318 ( 2.393 -8.483 0.000) 8.814 5.345 ( -9.423 1.442 0.000) 9.532 5.428 ( -8.898 -5.671 0.000) 10.551 6.118 ( -0.875 4.954 0.000) 5.030 6.123 ( -1.376 3.823 0.000) 4.063 6.134 ( -0.900 3.561 0.000) 3.673 6.138 ( -1.218 2.448 0.000) 2.734 6.774 ( 3.737 11.590 0.000) 12.177 6.800 ( 1.237 15.590 0.000) 15.639 6.996 ( 7.804 -10.947 0.000) 13.444 7.109 ( -3.702 -15.843 0.000) 16.270 10.099 ( 3.416 2.519 0.000) 4.244 10.147 ( -1.537 2.825 0.000) 3.216 10.181 ( 4.355 -5.867 0.000) 7.306 10.241 ( -1.733 -6.697 0.000) 6.918 10.825 ( 3.680 7.784 0.000) 8.610 10.875 ( -0.905 5.700 0.000) 5.772 10.910 ( 0.783 -0.828 0.000) 1.139 10.918 ( -1.219 1.114 0.000) 1.651 13.717 ( 2.259 0.036 0.000) 2.259 13.724 ( 1.912 -0.587 0.000) 2.000 13.760 ( -2.907 0.852 0.000) 3.029 13.782 ( -4.223 -1.425 0.000) 4.457 14.045 ( -0.628 2.794 0.000) 2.864 14.088 ( -5.407 4.920 0.000) 7.311 14.110 ( 1.039 -3.691 0.000) 3.834 14.191 ( -7.443 -5.476 0.000) 9.241 14.706 ( 2.173 4.922 0.000) 5.381 14.756 ( -2.928 4.474 0.000) 5.347 14.793 ( 2.295 -3.831 0.000) 4.466 14.828 ( -1.396 -2.646 0.000) 2.991 24.062 ( 0.748 0.457 0.000) 0.877 24.067 ( 0.243 0.417 0.000) 0.482 24.077 ( 0.602 -1.024 0.000) 1.188 24.079 ( 0.404 -0.725 0.000) 0.831 25.396 ( 0.317 2.802 0.000) 2.820 25.399 ( 0.105 1.631 0.000) 1.634 25.454 ( 1.457 -4.127 0.000) 4.376 25.477 ( -0.996 -5.623 0.000) 5.710 26.777 ( 3.015 5.717 0.000) 6.463 26.821 ( -0.964 5.224 0.000) 5.313 26.891 ( 3.444 -6.183 0.000) 7.077 26.929 ( 0.209 -6.152 0.000) 6.156 27.400 ( 9.051 11.032 0.000) 14.270 27.585 ( -10.589 12.211 0.000) 16.163 27.588 ( 11.044 -8.569 0.000) 13.979 27.787 ( -10.062 -9.082 0.000) 13.554 ======================= Grid point 63 (21/60) ======================= q-point: ( 0.00 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.337 ( 0.000 0.000 18.046) 18.046 0.532 ( 0.000 0.000 26.294) 26.294 0.817 ( 0.000 0.000 38.376) 38.376 1.222 ( 0.000 0.000 -8.191) 8.191 1.661 ( 0.000 0.000 -8.161) 8.161 1.957 ( 0.000 0.000 7.028) 7.028 1.975 ( 0.000 0.000 -7.319) 7.319 1.979 ( 0.000 0.000 1.386) 1.386 1.997 ( 0.000 0.000 5.508) 5.508 2.222 ( 0.000 0.000 3.542) 3.542 2.412 ( 0.000 0.000 7.439) 7.439 2.415 ( 0.000 0.000 3.405) 3.405 2.523 ( 0.000 0.000 4.221) 4.221 2.599 ( 0.000 0.000 3.594) 3.594 2.693 ( 0.000 0.000 1.426) 1.426 2.693 ( 0.000 0.000 4.514) 4.514 2.893 ( 0.000 0.000 -2.452) 2.452 2.944 ( 0.000 0.000 1.260) 1.260 3.115 ( 0.000 0.000 11.589) 11.589 3.264 ( 0.000 0.000 0.870) 0.870 3.308 ( 0.000 0.000 -8.654) 8.654 3.328 ( 0.000 0.000 2.641) 2.641 3.381 ( 0.000 0.000 -2.306) 2.306 3.476 ( 0.000 0.000 -6.029) 6.029 3.747 ( 0.000 0.000 -3.824) 3.824 3.852 ( 0.000 0.000 -10.107) 10.107 3.869 ( 0.000 0.000 -0.226) 0.226 4.315 ( 0.000 0.000 -9.673) 9.673 4.403 ( 0.000 0.000 3.234) 3.234 4.586 ( 0.000 0.000 3.307) 3.307 4.703 ( 0.000 0.000 5.507) 5.507 4.713 ( 0.000 0.000 0.768) 0.768 4.731 ( 0.000 0.000 -1.009) 1.009 4.787 ( 0.000 0.000 -0.456) 0.456 5.034 ( 0.000 0.000 -1.907) 1.907 5.133 ( 0.000 0.000 -4.318) 4.318 5.188 ( 0.000 0.000 -6.167) 6.167 5.203 ( 0.000 0.000 -4.399) 4.399 5.401 ( 0.000 0.000 7.381) 7.381 5.560 ( 0.000 0.000 -0.761) 0.761 5.681 ( 0.000 0.000 -5.951) 5.951 5.733 ( 0.000 0.000 -2.803) 2.803 5.925 ( 0.000 0.000 2.418) 2.418 6.041 ( 0.000 0.000 -0.544) 0.544 6.297 ( 0.000 0.000 5.328) 5.328 6.868 ( 0.000 0.000 -11.250) 11.250 7.376 ( 0.000 0.000 15.775) 15.775 8.163 ( 0.000 0.000 -6.736) 6.736 9.813 ( 0.000 0.000 0.908) 0.908 9.884 ( 0.000 0.000 -0.747) 0.747 9.940 ( 0.000 0.000 3.230) 3.230 10.269 ( 0.000 0.000 -6.052) 6.052 10.302 ( 0.000 0.000 1.164) 1.164 10.382 ( 0.000 0.000 -0.734) 0.734 10.676 ( 0.000 0.000 9.730) 9.730 11.181 ( 0.000 0.000 -3.814) 3.814 13.818 ( 0.000 0.000 0.759) 0.759 13.877 ( 0.000 0.000 0.957) 0.957 13.887 ( 0.000 0.000 -0.909) 0.909 14.011 ( 0.000 0.000 -2.435) 2.435 14.129 ( 0.000 0.000 0.913) 0.913 14.194 ( 0.000 0.000 -0.640) 0.640 14.204 ( 0.000 0.000 0.951) 0.951 14.236 ( 0.000 0.000 0.337) 0.337 14.326 ( 0.000 0.000 -0.398) 0.398 14.512 ( 0.000 0.000 -7.451) 7.451 15.005 ( 0.000 0.000 7.442) 7.442 15.273 ( 0.000 0.000 -1.059) 1.059 24.032 ( 0.000 0.000 0.713) 0.713 24.038 ( 0.000 0.000 0.974) 0.974 24.102 ( 0.000 0.000 -0.878) 0.878 24.120 ( 0.000 0.000 -0.918) 0.918 25.320 ( 0.000 0.000 2.267) 2.267 25.497 ( 0.000 0.000 -1.934) 1.934 26.316 ( 0.000 0.000 0.193) 0.193 26.334 ( 0.000 0.000 -0.223) 0.223 26.400 ( 0.000 0.000 0.147) 0.147 26.412 ( 0.000 0.000 -0.136) 0.136 26.705 ( 0.000 0.000 1.949) 1.949 26.884 ( 0.000 0.000 -3.099) 3.099 27.009 ( 0.000 0.000 3.243) 3.243 27.209 ( 0.000 0.000 -2.329) 2.329 27.407 ( 0.000 0.000 0.456) 0.456 27.448 ( 0.000 0.000 -0.447) 0.447 ======================= Grid point 64 (22/60) ======================= q-point: ( 0.14 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.632 ( 22.776 0.000 9.849) 24.814 0.669 ( 17.242 0.000 15.996) 23.520 1.256 ( 3.533 0.000 -2.837) 4.531 1.333 ( 39.616 0.000 22.147) 45.387 1.704 ( 2.895 0.000 -6.556) 7.166 1.922 ( -2.003 0.000 0.712) 2.125 1.959 ( 5.538 0.000 4.303) 7.013 2.042 ( 3.516 0.000 -2.620) 4.385 2.042 ( 0.936 0.000 1.133) 1.470 2.286 ( 4.926 0.000 1.907) 5.282 2.373 ( -2.511 0.000 5.566) 6.106 2.465 ( 0.169 0.000 4.618) 4.621 2.557 ( 6.881 0.000 6.183) 9.251 2.643 ( 4.990 0.000 2.902) 5.772 2.693 ( -0.838 0.000 0.118) 0.846 2.704 ( 0.379 0.000 3.631) 3.651 2.898 ( -4.116 0.000 3.235) 5.235 2.960 ( 3.623 0.000 -2.926) 4.657 3.109 ( -0.253 0.000 9.751) 9.754 3.124 ( -1.026 0.000 3.354) 3.507 3.187 ( -8.781 0.000 9.176) 12.701 3.402 ( 2.887 0.000 -4.041) 4.967 3.554 ( 7.174 0.000 -3.819) 8.127 3.554 ( 13.879 0.000 -7.376) 15.717 3.787 ( 3.662 0.000 -3.177) 4.848 3.797 ( -5.336 0.000 -7.412) 9.133 3.897 ( 3.167 0.000 -2.281) 3.903 4.310 ( -0.666 0.000 -9.280) 9.304 4.418 ( 1.200 0.000 1.705) 2.085 4.567 ( -7.551 0.000 -1.058) 7.624 4.631 ( -2.602 0.000 2.098) 3.343 4.713 ( 0.060 0.000 0.474) 0.478 4.737 ( 4.022 0.000 6.768) 7.873 4.769 ( -1.756 0.000 -0.879) 1.964 4.900 ( -12.683 0.000 8.170) 15.087 5.123 ( -1.053 0.000 -3.421) 3.579 5.178 ( 9.295 0.000 -2.914) 9.741 5.183 ( -1.802 0.000 -3.384) 3.834 5.412 ( 1.007 0.000 5.932) 6.017 5.495 ( -13.820 0.000 10.872) 17.584 5.652 ( -1.540 0.000 -3.585) 3.902 5.708 ( -2.522 0.000 -2.572) 3.602 5.720 ( 5.194 0.000 -1.313) 5.357 6.033 ( -9.076 0.000 -7.332) 11.667 6.473 ( 9.437 0.000 4.550) 10.476 6.963 ( 9.618 0.000 -5.563) 11.110 7.303 ( -3.099 0.000 14.122) 14.458 8.379 ( 4.323 0.000 -23.529) 23.923 9.834 ( 2.135 0.000 0.907) 2.319 9.903 ( 2.035 0.000 -0.727) 2.161 10.007 ( 6.055 0.000 3.724) 7.108 10.279 ( -2.387 0.000 1.120) 2.636 10.330 ( 5.057 0.000 -4.918) 7.054 10.356 ( -2.646 0.000 -0.716) 2.741 10.692 ( 0.064 0.000 10.891) 10.891 11.183 ( 0.086 0.000 -3.647) 3.648 13.782 ( -5.057 0.000 1.158) 5.187 13.829 ( 1.142 0.000 0.679) 1.329 13.891 ( 0.371 0.000 -0.804) 0.885 13.952 ( -5.349 0.000 -2.081) 5.740 14.009 ( -4.136 0.000 8.120) 9.112 14.126 ( -0.358 0.000 0.826) 0.901 14.184 ( -0.968 0.000 -0.582) 1.130 14.217 ( -3.137 0.000 -0.943) 3.275 14.474 ( 5.019 0.000 -3.331) 6.023 14.765 ( 11.169 0.000 -16.744) 20.127 14.884 ( -8.648 0.000 6.169) 10.623 15.193 ( -7.771 0.000 -1.674) 7.949 24.038 ( 0.883 0.000 0.759) 1.164 24.060 ( 1.736 0.000 0.763) 1.896 24.087 ( -1.013 0.000 0.988) 1.415 24.122 ( 1.284 0.000 -0.562) 1.401 25.334 ( 1.622 0.000 2.477) 2.961 25.529 ( 3.018 0.000 -1.796) 3.512 26.027 ( -20.973 0.000 25.114) 32.719 26.320 ( 0.371 0.000 0.191) 0.417 26.337 ( 0.352 0.000 -0.221) 0.416 26.395 ( -0.483 0.000 0.154) 0.507 26.408 ( -0.432 0.000 -0.142) 0.455 26.766 ( -11.276 0.000 -4.927) 12.306 27.174 ( 6.397 0.000 3.019) 7.074 27.296 ( 8.069 0.000 3.980) 8.997 27.471 ( 4.013 0.000 -2.748) 4.864 28.121 ( 25.131 0.000 -32.090) 40.759 ======================= Grid point 65 (23/60) ======================= q-point: ( 0.29 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.054 ( 19.839 0.000 6.899) 21.004 1.062 ( 21.732 0.000 4.689) 22.232 1.346 ( 5.327 0.000 6.024) 8.041 1.714 ( 1.149 0.000 -6.641) 6.740 1.918 ( 1.389 0.000 -3.084) 3.382 2.010 ( 4.772 0.000 -2.185) 5.248 2.036 ( -1.043 0.000 -1.385) 1.734 2.114 ( 5.643 0.000 -4.256) 7.068 2.151 ( 27.598 0.000 11.878) 30.046 2.310 ( -3.270 0.000 6.591) 7.358 2.402 ( 9.488 0.000 8.145) 12.505 2.470 ( 0.065 0.000 2.085) 2.086 2.637 ( -5.072 0.000 0.674) 5.117 2.664 ( 0.768 0.000 1.295) 1.506 2.697 ( 0.588 0.000 2.713) 2.776 2.798 ( 10.267 0.000 -0.086) 10.267 2.874 ( 4.454 0.000 9.365) 10.371 2.958 ( -1.695 0.000 -0.910) 1.923 3.065 ( -3.666 0.000 10.447) 11.072 3.105 ( -0.440 0.000 8.211) 8.223 3.246 ( 8.569 0.000 2.568) 8.945 3.488 ( 4.845 0.000 -3.875) 6.204 3.619 ( -6.076 0.000 -2.499) 6.570 3.707 ( 8.054 0.000 -1.004) 8.117 3.854 ( 2.798 0.000 -0.227) 2.807 3.890 ( 15.381 0.000 -9.721) 18.195 3.996 ( 6.905 0.000 -7.923) 10.509 4.285 ( -2.089 0.000 -8.606) 8.856 4.285 ( -18.190 0.000 2.056) 18.306 4.457 ( 0.401 0.000 -0.570) 0.697 4.630 ( 1.725 0.000 0.201) 1.736 4.714 ( -0.223 0.000 -0.891) 0.919 4.733 ( -1.464 0.000 -1.542) 2.126 4.792 ( 1.732 0.000 2.865) 3.348 4.864 ( 4.605 0.000 6.877) 8.277 5.094 ( -1.766 0.000 -1.240) 2.158 5.146 ( -1.982 0.000 -1.471) 2.468 5.149 ( -10.111 0.000 4.784) 11.185 5.437 ( 1.708 0.000 3.247) 3.669 5.463 ( 7.056 0.000 -1.312) 7.176 5.631 ( 0.180 0.000 1.091) 1.106 5.642 ( -4.241 0.000 -1.927) 4.658 5.779 ( -2.235 0.000 -1.085) 2.485 5.842 ( -7.087 0.000 -5.732) 9.115 6.651 ( 9.700 0.000 5.461) 11.132 7.108 ( 0.198 0.000 11.369) 11.370 7.331 ( 10.164 0.000 -6.215) 11.914 8.279 ( -12.096 0.000 -18.424) 22.040 9.892 ( 3.844 0.000 0.893) 3.947 9.957 ( 3.443 0.000 -0.634) 3.501 10.127 ( 6.015 0.000 4.567) 7.552 10.217 ( -3.886 0.000 0.973) 4.006 10.287 ( -4.480 0.000 -0.669) 4.530 10.405 ( 0.679 0.000 -1.329) 1.492 10.718 ( 5.118 0.000 9.283) 10.600 11.162 ( -2.908 0.000 -2.966) 4.154 13.742 ( 0.219 0.000 -0.198) 0.295 13.857 ( 1.699 0.000 0.467) 1.763 13.866 ( -2.747 0.000 -1.574) 3.167 13.899 ( 0.401 0.000 -0.522) 0.658 13.950 ( -2.924 0.000 5.099) 5.878 14.113 ( -7.906 0.000 -0.184) 7.908 14.118 ( -0.353 0.000 0.580) 0.679 14.160 ( -1.518 0.000 -0.409) 1.573 14.563 ( 4.068 0.000 -2.468) 4.758 14.716 ( -4.501 0.000 4.747) 6.541 14.885 ( -0.110 0.000 -12.630) 12.631 15.018 ( -9.196 0.000 -2.974) 9.664 24.060 ( 1.247 0.000 0.690) 1.425 24.076 ( 0.339 0.000 0.964) 1.022 24.106 ( 2.212 0.000 0.366) 2.242 24.149 ( 1.219 0.000 -0.748) 1.430 25.382 ( 3.325 0.000 3.196) 4.612 25.579 ( 0.645 0.000 2.330) 2.417 25.853 ( 0.081 0.000 10.013) 10.013 26.330 ( 0.697 0.000 0.186) 0.722 26.347 ( 0.659 0.000 -0.217) 0.694 26.382 ( -0.831 0.000 0.171) 0.849 26.396 ( -0.764 0.000 -0.156) 0.780 26.511 ( -14.786 0.000 -5.414) 15.746 27.292 ( 5.559 0.000 2.115) 5.948 27.400 ( 2.339 0.000 5.973) 6.414 27.656 ( 14.682 0.000 -2.929) 14.971 28.308 ( -0.550 0.000 -18.339) 18.347 ======================= Grid point 66 (24/60) ======================= q-point: ( 0.43 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.342 ( 9.690 0.000 8.247) 12.724 1.419 ( 0.982 0.000 9.861) 9.910 1.446 ( 17.607 0.000 -0.368) 17.611 1.682 ( -6.140 0.000 -2.947) 6.810 1.963 ( 3.003 0.000 -4.079) 5.066 2.004 ( 0.068 0.000 -6.453) 6.454 2.012 ( -1.711 0.000 -2.756) 3.244 2.062 ( -5.348 0.000 -7.907) 9.546 2.291 ( 2.478 0.000 4.276) 4.942 2.402 ( -7.319 0.000 0.438) 7.332 2.520 ( 9.164 0.000 6.387) 11.170 2.583 ( 0.908 0.000 2.761) 2.907 2.602 ( 1.565 0.000 7.798) 7.954 2.627 ( -2.919 0.000 0.794) 3.025 2.846 ( 7.291 0.000 0.126) 7.292 2.905 ( -2.713 0.000 0.397) 2.742 2.997 ( 6.095 0.000 9.241) 11.070 2.998 ( 16.439 0.000 8.888) 18.688 3.079 ( -2.591 0.000 8.238) 8.636 3.120 ( 8.015 0.000 1.241) 8.110 3.331 ( -0.879 0.000 3.642) 3.747 3.415 ( -9.021 0.000 -2.326) 9.316 3.662 ( 8.019 0.000 0.705) 8.050 3.835 ( 4.873 0.000 0.355) 4.886 3.882 ( -0.183 0.000 0.761) 0.782 3.906 ( -18.153 0.000 3.822) 18.551 4.129 ( 6.303 0.000 -9.938) 11.768 4.187 ( 13.317 0.000 -7.582) 15.324 4.227 ( -4.054 0.000 -8.961) 9.836 4.390 ( -7.491 0.000 -3.497) 8.268 4.707 ( 0.158 0.000 -2.610) 2.615 4.718 ( 6.574 0.000 -0.974) 6.646 4.719 ( -0.698 0.000 -2.296) 2.400 4.819 ( -1.474 0.000 -0.134) 1.480 4.929 ( 2.094 0.000 6.258) 6.599 4.986 ( -5.094 0.000 6.588) 8.327 5.076 ( 0.322 0.000 0.805) 0.867 5.105 ( -2.241 0.000 0.651) 2.334 5.482 ( 3.204 0.000 0.714) 3.283 5.557 ( -4.443 0.000 -0.920) 4.537 5.561 ( 2.920 0.000 -3.603) 4.638 5.627 ( -4.154 0.000 -2.422) 4.808 5.708 ( 3.168 0.000 1.052) 3.338 5.786 ( -3.297 0.000 0.099) 3.299 6.838 ( 9.717 0.000 7.205) 12.097 7.010 ( -8.014 0.000 10.849) 13.488 7.628 ( 18.322 0.000 -11.131) 21.438 7.982 ( -18.049 0.000 -13.881) 22.769 9.972 ( 4.202 0.000 0.792) 4.276 10.014 ( 1.173 0.000 -0.074) 1.175 10.154 ( -1.341 0.000 0.364) 1.390 10.197 ( -4.515 0.000 -0.536) 4.546 10.238 ( 5.843 0.000 5.024) 7.706 10.347 ( -5.292 0.000 4.214) 6.764 10.884 ( 10.331 0.000 1.735) 10.476 11.061 ( -7.668 0.000 -1.646) 7.843 13.786 ( 4.487 0.000 1.091) 4.618 13.853 ( 0.496 0.000 0.422) 0.651 13.887 ( 1.274 0.000 0.179) 1.286 13.893 ( -2.725 0.000 1.992) 3.375 13.902 ( -0.229 0.000 -0.161) 0.280 13.947 ( -7.926 0.000 0.473) 7.940 14.116 ( 0.308 0.000 0.227) 0.383 14.132 ( -1.253 0.000 -0.131) 1.260 14.625 ( 3.031 0.000 -0.918) 3.167 14.681 ( -1.664 0.000 0.109) 1.668 14.843 ( -1.063 0.000 -5.908) 6.003 14.889 ( -4.599 0.000 -5.708) 7.330 24.079 ( 0.609 0.000 0.684) 0.916 24.082 ( 0.197 0.000 0.769) 0.794 24.144 ( 1.546 0.000 -0.226) 1.562 24.160 ( -0.109 0.000 -0.622) 0.632 25.455 ( 4.272 0.000 4.659) 6.321 25.537 ( -3.982 0.000 6.022) 7.220 25.976 ( 10.998 0.000 -0.818) 11.029 26.226 ( -14.625 0.000 -4.167) 15.207 26.346 ( 0.918 0.000 0.172) 0.934 26.361 ( 0.361 0.000 -0.179) 0.403 26.366 ( -0.472 0.000 0.159) 0.498 26.380 ( -0.914 0.000 -0.166) 0.929 27.377 ( 3.277 0.000 2.810) 4.317 27.414 ( -0.606 0.000 4.092) 4.137 27.952 ( 15.046 0.000 -4.162) 15.611 28.196 ( -10.051 0.000 -9.265) 13.670 ======================= Grid point 70 (25/60) ======================= q-point: ( 0.00 0.11 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 92 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.627 ( 0.000 15.398 14.319) 21.027 0.755 ( 0.000 19.519 17.723) 26.365 1.116 ( 0.000 28.724 18.307) 34.062 1.377 ( 0.000 13.307 -7.664) 15.356 1.689 ( 0.000 4.564 -4.504) 6.412 1.814 ( 0.000 -7.212 -1.573) 7.381 1.916 ( 0.000 -1.153 6.692) 6.791 2.028 ( 0.000 -1.815 0.275) 1.835 2.097 ( 0.000 6.964 8.381) 10.896 2.352 ( 0.000 11.006 1.759) 11.146 2.456 ( 0.000 3.370 0.057) 3.370 2.477 ( 0.000 -3.683 0.160) 3.687 2.589 ( 0.000 7.736 1.750) 7.932 2.659 ( 0.000 3.754 7.078) 8.012 2.697 ( 0.000 4.325 1.039) 4.448 2.830 ( 0.000 12.678 1.145) 12.730 2.862 ( 0.000 -2.553 -1.597) 3.011 2.913 ( 0.000 -2.318 2.967) 3.765 3.188 ( 0.000 1.117 10.656) 10.715 3.247 ( 0.000 7.313 11.412) 13.554 3.312 ( 0.000 0.409 -8.309) 8.319 3.332 ( 0.000 -3.665 -5.378) 6.508 3.355 ( 0.000 5.177 1.502) 5.391 3.537 ( 0.000 4.442 -2.316) 5.010 3.745 ( 0.000 -3.375 -8.487) 9.133 3.813 ( 0.000 1.148 -3.299) 3.493 4.191 ( 0.000 19.038 -17.462) 25.833 4.334 ( 0.000 -6.877 3.027) 7.513 4.431 ( 0.000 7.924 -11.125) 13.659 4.547 ( 0.000 -3.645 1.894) 4.108 4.658 ( 0.000 -2.458 3.427) 4.217 4.745 ( 0.000 2.415 1.443) 2.813 4.901 ( 0.000 9.855 0.622) 9.875 4.927 ( 0.000 15.963 0.889) 15.988 4.985 ( 0.000 -7.581 2.219) 7.899 4.991 ( 0.000 3.143 -0.278) 3.155 5.169 ( 0.000 -1.233 -6.848) 6.958 5.338 ( 0.000 7.334 -6.783) 9.990 5.421 ( 0.000 1.673 9.179) 9.331 5.594 ( 0.000 2.470 -0.212) 2.479 5.640 ( 0.000 -3.170 -4.381) 5.407 5.751 ( 0.000 2.218 -2.162) 3.098 5.951 ( 0.000 2.582 2.546) 3.626 6.165 ( 0.000 6.369 -6.721) 9.260 6.316 ( 0.000 2.084 3.418) 4.004 6.799 ( 0.000 -6.748 -9.535) 11.681 7.246 ( 0.000 -12.359 14.404) 18.979 7.885 ( 0.000 -18.064 0.722) 18.079 9.809 ( 0.000 -3.296 1.387) 3.576 9.896 ( 0.000 7.451 -0.577) 7.473 10.075 ( 0.000 10.093 0.604) 10.111 10.199 ( 0.000 -2.806 -0.577) 2.865 10.393 ( 0.000 4.203 -3.734) 5.622 10.397 ( 0.000 0.123 -0.018) 0.124 10.680 ( 0.000 1.431 9.833) 9.936 11.160 ( 0.000 -1.674 -3.544) 3.920 13.692 ( 0.000 -4.770 -2.033) 5.185 13.728 ( 0.000 -5.680 -0.663) 5.718 14.022 ( 0.000 0.468 6.521) 6.538 14.137 ( 0.000 4.061 -1.718) 4.410 14.159 ( 0.000 2.606 0.299) 2.623 14.172 ( 0.000 1.636 0.181) 1.646 14.222 ( 0.000 3.344 1.156) 3.538 14.360 ( 0.000 3.299 -0.448) 3.330 14.364 ( 0.000 8.407 -5.803) 10.215 14.482 ( 0.000 -0.338 -4.935) 4.946 14.977 ( 0.000 -2.480 6.788) 7.227 15.232 ( 0.000 -4.102 -1.024) 4.228 24.028 ( 0.000 -0.370 0.643) 0.742 24.036 ( 0.000 -0.178 0.906) 0.923 24.080 ( 0.000 -2.317 1.357) 2.685 24.092 ( 0.000 -0.955 -0.826) 1.263 25.315 ( 0.000 -0.435 2.102) 2.146 25.479 ( 0.000 -1.801 -1.749) 2.511 25.866 ( 0.000 -19.133 16.437) 25.224 26.196 ( 0.000 -10.954 -0.659) 10.974 26.447 ( 0.000 3.456 -0.049) 3.456 26.454 ( 0.000 5.283 -0.237) 5.288 26.703 ( 0.000 -0.147 2.276) 2.281 26.888 ( 0.000 -0.720 -2.360) 2.467 27.083 ( 0.000 0.014 2.237) 2.237 27.295 ( 0.000 4.828 -3.825) 6.159 27.437 ( 0.000 1.688 2.136) 2.722 27.870 ( 0.000 21.712 -22.242) 31.083 ======================= Grid point 71 (26/60) ======================= q-point: ( 0.14 0.11 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 158 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.791 ( 14.444 10.998 11.003) 21.229 0.848 ( 14.249 17.716 11.878) 25.651 1.404 ( 5.984 14.198 -2.357) 15.587 1.542 ( 28.239 16.959 7.640) 33.814 1.685 ( 1.797 0.169 -1.297) 2.222 1.885 ( 8.155 0.769 -0.843) 8.235 1.988 ( 4.134 -3.160 1.555) 5.431 2.058 ( 3.245 3.041 2.278) 4.997 2.101 ( 1.065 6.175 5.696) 8.468 2.366 ( 1.215 6.583 2.757) 7.240 2.462 ( 2.345 1.780 -0.324) 2.962 2.529 ( -0.369 5.825 -2.069) 6.193 2.582 ( 2.514 0.242 4.141) 4.850 2.695 ( 4.013 5.450 4.611) 8.190 2.708 ( 0.776 6.551 2.638) 7.104 2.839 ( -2.421 -2.911 2.152) 4.355 2.858 ( 1.327 13.080 1.515) 13.234 2.978 ( 5.358 -1.463 1.919) 5.877 3.088 ( -5.688 1.487 6.198) 8.542 3.167 ( -1.919 3.079 9.345) 10.025 3.235 ( -4.329 5.891 3.689) 8.189 3.383 ( 3.429 -0.485 -2.803) 4.455 3.542 ( 9.838 0.405 -5.926) 11.492 3.607 ( 8.074 3.471 -2.093) 9.034 3.721 ( -2.325 -3.805 -7.367) 8.611 3.850 ( 4.384 3.272 -2.985) 6.232 4.121 ( -4.139 15.994 -10.235) 19.434 4.357 ( 0.397 -6.564 1.689) 6.790 4.421 ( -1.564 7.505 -10.339) 12.871 4.533 ( -6.403 -2.299 -1.194) 6.907 4.589 ( -3.787 -0.370 1.822) 4.218 4.720 ( 2.770 -0.234 6.274) 6.862 4.796 ( -6.880 -0.254 3.971) 7.948 4.894 ( -0.125 10.082 0.454) 10.093 4.960 ( -0.282 14.343 2.338) 14.535 5.100 ( 1.940 1.055 -4.019) 4.586 5.185 ( 4.414 1.750 -2.297) 5.274 5.304 ( -0.767 5.989 -3.810) 7.140 5.439 ( 1.058 2.160 5.660) 6.150 5.593 ( -6.977 5.181 5.151) 10.102 5.620 ( -1.980 -1.628 -2.539) 3.608 5.711 ( -2.647 3.188 -1.031) 4.270 5.790 ( -2.169 5.649 -1.107) 6.152 6.058 ( -10.522 2.747 -6.893) 12.875 6.457 ( 8.435 -1.531 3.934) 9.432 6.881 ( 8.154 -8.010 -2.700) 11.744 7.184 ( -1.701 -10.859 11.816) 16.138 8.117 ( 9.420 -20.805 -14.405) 27.001 9.875 ( 6.057 -1.571 1.042) 6.343 9.921 ( 2.679 7.280 -0.084) 7.758 10.089 ( 1.727 8.035 1.441) 8.344 10.224 ( 2.296 -2.052 -1.016) 3.243 10.381 ( -1.298 1.648 -0.093) 2.100 10.439 ( 2.326 4.872 -3.255) 6.304 10.667 ( -1.004 0.149 10.243) 10.293 11.152 ( -1.062 -2.879 -3.438) 4.608 13.699 ( 0.691 -3.799 -1.772) 4.248 13.741 ( 1.294 -5.194 -0.932) 5.434 13.994 ( -6.799 -0.455 8.357) 10.783 14.015 ( -5.207 5.957 0.623) 7.936 14.058 ( -5.958 5.489 -0.621) 8.125 14.150 ( -1.157 -1.861 -0.077) 2.193 14.196 ( -0.537 6.955 -0.086) 6.976 14.237 ( -2.889 1.277 -1.162) 3.366 14.518 ( 4.485 4.414 -3.135) 7.030 14.704 ( 11.762 -3.926 -10.232) 16.076 14.868 ( -8.590 -1.644 6.008) 10.611 15.152 ( -7.802 -4.084 -1.517) 8.936 24.035 ( 0.911 -0.271 0.699) 1.180 24.057 ( 1.822 -0.291 0.714) 1.978 24.070 ( -0.353 -1.234 1.234) 1.781 24.110 ( 1.483 -1.050 -0.638) 1.926 25.328 ( 1.501 -0.474 2.296) 2.784 25.506 ( 2.567 -2.158 -1.439) 3.649 25.797 ( -4.835 -12.364 14.405) 19.590 26.178 ( -2.035 -12.031 -0.974) 12.241 26.439 ( -0.537 3.513 -0.057) 3.555 26.456 ( -0.023 5.543 -0.599) 5.575 26.574 ( -6.596 11.349 3.077) 13.482 26.855 ( -3.956 6.011 -3.502) 8.003 27.154 ( 5.483 -1.993 2.176) 6.226 27.351 ( 4.704 5.711 3.642) 8.246 27.433 ( 2.778 -3.311 -1.845) 4.699 28.119 ( 13.820 0.263 -22.966) 26.804 ======================= Grid point 72 (27/60) ======================= q-point: ( 0.29 0.11 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 158 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.123 ( 18.782 6.466 2.933) 20.079 1.177 ( 17.307 11.088 7.456) 21.864 1.499 ( 4.314 14.102 3.363) 15.126 1.672 ( 2.345 -2.642 -5.294) 6.364 1.987 ( 1.091 0.278 -3.788) 3.952 1.993 ( 3.641 5.281 -2.408) 6.852 2.072 ( 3.127 0.156 1.125) 3.327 2.136 ( 2.059 1.978 -5.067) 5.816 2.266 ( 19.074 10.051 9.441) 23.536 2.423 ( 7.788 3.863 7.502) 11.483 2.453 ( -3.933 10.119 2.988) 11.260 2.547 ( 5.624 6.039 2.117) 8.519 2.647 ( 1.291 -0.749 -0.121) 1.497 2.685 ( -1.710 5.015 0.995) 5.391 2.794 ( 2.623 5.354 -0.400) 5.976 2.834 ( 4.122 6.993 3.961) 9.033 2.896 ( 7.236 3.843 9.092) 12.239 3.006 ( 0.533 1.681 3.319) 3.758 3.052 ( -2.798 1.875 7.475) 8.199 3.147 ( -0.762 4.278 4.691) 6.394 3.276 ( 7.317 3.524 3.708) 8.928 3.461 ( 4.863 -1.422 -1.929) 5.422 3.589 ( -5.457 -1.639 -3.476) 6.675 3.722 ( 7.570 2.054 -0.396) 7.854 3.860 ( 12.611 -1.729 -6.901) 14.480 3.958 ( 5.934 5.184 -4.228) 8.942 4.091 ( 0.636 9.215 -7.427) 11.853 4.256 ( -12.744 -1.598 1.427) 12.923 4.339 ( -3.926 -0.680 -3.766) 5.482 4.431 ( -2.880 2.472 -2.999) 4.837 4.588 ( 3.227 0.346 -1.741) 3.683 4.735 ( 0.235 0.824 1.130) 1.418 4.818 ( 4.453 0.871 4.414) 6.330 4.907 ( 1.152 8.338 1.017) 8.478 4.948 ( -0.788 13.599 0.647) 13.637 5.091 ( -3.810 3.157 -1.738) 5.245 5.184 ( -0.208 7.124 -0.784) 7.170 5.353 ( -1.807 9.679 -0.003) 9.846 5.449 ( -0.999 3.798 4.022) 5.621 5.479 ( 3.539 1.494 0.165) 3.845 5.601 ( 0.143 -2.035 0.906) 2.232 5.663 ( -3.294 2.573 -1.093) 4.321 5.769 ( -5.294 -1.018 -1.803) 5.684 5.854 ( -6.930 1.813 -4.886) 8.671 6.617 ( 8.650 -3.157 5.129) 10.540 6.995 ( 0.384 -10.665 12.185) 16.197 7.253 ( 10.731 -7.331 -6.091) 14.353 8.107 ( -8.619 -15.513 -15.364) 23.473 9.976 ( 4.522 6.731 0.253) 8.113 10.018 ( 6.667 4.416 0.133) 7.998 10.138 ( 3.183 3.395 3.052) 5.566 10.255 ( 0.012 2.436 -1.284) 2.753 10.343 ( -2.823 4.952 0.360) 5.712 10.439 ( -2.567 3.102 0.597) 4.070 10.685 ( 4.350 -1.679 7.149) 8.535 11.108 ( -3.889 -5.152 -2.958) 7.100 13.721 ( 1.789 -1.764 -0.761) 2.625 13.772 ( 1.944 -4.062 -1.058) 4.625 13.884 ( -3.251 -0.730 3.276) 4.672 13.944 ( -3.549 3.435 0.196) 4.943 13.979 ( -2.825 1.592 2.324) 3.989 14.094 ( -5.735 -1.030 -0.313) 5.835 14.170 ( -1.721 1.816 -0.328) 2.524 14.186 ( -1.838 5.033 0.103) 5.359 14.591 ( 2.339 2.444 -1.816) 3.839 14.708 ( -3.288 -0.449 3.526) 4.842 14.851 ( 1.516 -2.693 -9.338) 9.836 14.976 ( -9.224 -4.071 -2.445) 10.375 24.058 ( 1.248 -0.242 0.645) 1.426 24.071 ( 0.424 -0.437 0.970) 1.145 24.098 ( 2.204 -0.701 0.364) 2.342 24.139 ( 1.236 -0.992 -0.686) 1.727 25.372 ( 2.957 -0.895 2.969) 4.285 25.546 ( 0.261 -3.024 2.367) 3.849 25.756 ( 1.747 -7.552 5.747) 9.649 26.116 ( -4.518 -13.778 -1.737) 14.603 26.432 ( -0.248 3.882 -0.073) 3.891 26.450 ( -0.618 7.029 -0.851) 7.107 26.510 ( -0.651 11.983 2.212) 12.203 26.743 ( -7.098 15.228 -3.632) 17.189 27.256 ( 4.891 -3.667 1.807) 6.374 27.380 ( 0.049 -1.565 5.796) 6.004 27.629 ( 14.763 -2.535 -2.198) 15.139 28.240 ( -0.345 -5.874 -15.198) 16.298 ======================= Grid point 73 (28/60) ======================= q-point: ( 0.43 0.11 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 158 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.414 ( 9.519 5.326 3.621) 11.493 1.455 ( 8.787 5.255 3.735) 10.898 1.569 ( 5.606 10.546 2.776) 12.262 1.700 ( -2.165 2.508 -3.047) 4.501 1.968 ( -0.647 -0.012 -4.730) 4.774 2.000 ( -2.587 1.976 -2.182) 3.919 2.091 ( 0.879 4.640 -3.221) 5.716 2.118 ( -1.877 4.872 -6.170) 8.082 2.390 ( 1.490 6.381 3.478) 7.419 2.424 ( 0.030 4.005 2.945) 4.972 2.528 ( -0.905 2.903 2.076) 3.682 2.555 ( -2.099 -2.367 3.748) 4.904 2.686 ( 3.209 6.605 3.187) 8.006 2.717 ( -0.540 6.211 4.877) 7.915 2.909 ( 3.273 5.052 1.051) 6.111 2.965 ( -1.885 7.498 3.529) 8.499 3.036 ( 7.992 5.021 7.006) 11.755 3.071 ( 14.727 5.805 5.580) 16.784 3.114 ( 5.520 1.154 0.547) 5.665 3.121 ( 2.773 3.289 6.258) 7.594 3.367 ( 0.565 3.660 2.484) 4.459 3.422 ( -8.393 1.257 -0.548) 8.504 3.597 ( 7.040 -3.576 1.700) 8.078 3.784 ( -7.321 -1.837 3.803) 8.452 3.980 ( -1.637 4.619 -1.936) 5.269 4.001 ( -1.423 8.575 -0.738) 8.724 4.100 ( 9.133 -1.386 -8.456) 12.523 4.210 ( 3.958 2.514 -7.720) 9.033 4.256 ( -3.377 -0.491 -4.167) 5.386 4.346 ( -5.757 -0.379 -2.395) 6.247 4.686 ( 5.666 2.073 -3.553) 7.001 4.751 ( -0.171 3.542 -2.180) 4.163 4.877 ( 2.147 -0.111 3.011) 3.699 4.915 ( -1.143 0.497 3.296) 3.524 4.936 ( 0.461 12.764 -0.438) 12.780 4.991 ( -4.764 10.269 -0.152) 11.322 5.219 ( 2.847 11.784 2.104) 12.305 5.276 ( -3.386 13.762 2.494) 14.390 5.487 ( 3.277 -1.060 0.135) 3.447 5.542 ( 1.559 -0.301 -2.252) 2.755 5.574 ( -4.615 0.126 -1.343) 4.808 5.607 ( -4.551 0.137 -1.466) 4.783 5.683 ( 4.372 -1.761 0.666) 4.761 5.779 ( -4.206 -0.230 -0.700) 4.270 6.781 ( 8.310 -5.366 7.222) 12.248 6.924 ( -6.363 -8.111 11.025) 15.094 7.535 ( 16.986 -8.776 -10.332) 21.732 7.858 ( -16.136 -11.474 -12.574) 23.455 10.069 ( 5.025 8.135 0.669) 9.585 10.122 ( 2.418 9.849 -0.268) 10.145 10.188 ( 1.501 -0.432 1.893) 2.454 10.234 ( -1.190 5.072 -0.536) 5.238 10.290 ( -0.802 6.767 2.191) 7.158 10.356 ( -5.296 2.183 4.236) 7.124 10.828 ( 9.352 -5.046 1.216) 10.696 10.997 ( -7.696 -6.203 -1.770) 10.042 13.778 ( 4.506 -0.797 0.980) 4.680 13.812 ( 2.158 -3.068 -0.130) 3.753 13.842 ( -1.756 -2.563 1.738) 3.559 13.890 ( -4.573 -0.832 1.138) 4.785 13.932 ( -0.659 1.681 0.336) 1.837 13.970 ( -4.769 1.451 0.110) 4.986 14.152 ( -0.201 2.010 0.150) 2.026 14.160 ( -0.951 4.041 0.099) 4.152 14.620 ( 2.366 -0.911 -0.076) 2.536 14.684 ( -2.636 0.195 -0.537) 2.697 14.826 ( -0.462 -1.360 -4.629) 4.847 14.866 ( -3.143 -1.802 -5.430) 6.528 24.076 ( 0.594 -0.258 0.650) 0.918 24.079 ( 0.234 -0.296 0.755) 0.844 24.135 ( 1.496 -0.876 -0.137) 1.739 24.150 ( -0.096 -0.964 -0.524) 1.101 25.437 ( 3.745 -1.685 4.159) 5.845 25.507 ( -3.427 -2.656 5.162) 6.741 25.857 ( 7.561 -9.066 -1.077) 11.854 26.004 ( -7.194 -12.790 -2.325) 14.858 26.430 ( 0.143 5.084 -0.078) 5.086 26.437 ( -0.575 6.728 -0.240) 6.756 26.532 ( 2.734 13.836 0.267) 14.107 26.614 ( -5.876 17.173 -1.794) 18.239 27.333 ( 3.132 -4.365 2.815) 6.065 27.373 ( -1.062 -4.023 4.154) 5.879 27.916 ( 14.288 -3.476 -3.735) 15.172 28.144 ( -9.080 -4.991 -8.305) 13.279 ======================= Grid point 77 (29/60) ======================= q-point: ( 0.00 0.22 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 92 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.910 ( 0.000 14.654 7.976) 16.684 1.170 ( 0.000 21.902 9.872) 24.024 1.568 ( 0.000 2.465 -8.215) 8.577 1.587 ( 0.000 13.787 3.429) 14.207 1.776 ( 0.000 4.628 1.401) 4.836 1.855 ( 0.000 12.812 -2.798) 13.114 1.951 ( 0.000 5.510 1.347) 5.672 1.985 ( 0.000 -0.771 2.271) 2.398 2.261 ( 0.000 9.323 12.095) 15.271 2.376 ( 0.000 -5.051 -0.998) 5.148 2.507 ( 0.000 1.545 -4.429) 4.691 2.544 ( 0.000 7.493 0.447) 7.506 2.604 ( 0.000 -0.740 2.824) 2.920 2.690 ( 0.000 -0.385 3.973) 3.992 2.829 ( 0.000 -0.403 0.050) 0.406 2.863 ( 0.000 5.917 4.624) 7.510 2.911 ( 0.000 3.311 0.882) 3.427 3.040 ( 0.000 3.539 -0.989) 3.675 3.294 ( 0.000 0.788 -1.393) 1.600 3.309 ( 0.000 13.760 6.981) 15.429 3.333 ( 0.000 3.738 -11.364) 11.963 3.425 ( 0.000 5.207 3.359) 6.196 3.515 ( 0.000 13.936 11.063) 17.793 3.533 ( 0.000 -6.243 -2.539) 6.740 3.747 ( 0.000 5.223 -7.013) 8.744 3.869 ( 0.000 3.774 0.650) 3.829 4.158 ( 0.000 -9.462 6.291) 11.363 4.432 ( 0.000 -0.900 -2.281) 2.452 4.469 ( 0.000 0.060 -5.129) 5.129 4.558 ( 0.000 5.159 -7.923) 9.455 4.603 ( 0.000 0.079 -3.635) 3.636 4.817 ( 0.000 2.184 5.519) 5.935 4.854 ( 0.000 0.004 -3.474) 3.474 4.983 ( 0.000 0.191 -9.219) 9.221 5.125 ( 0.000 -3.965 -5.456) 6.745 5.286 ( 0.000 17.790 0.845) 17.810 5.367 ( 0.000 23.031 -0.186) 23.032 5.393 ( 0.000 1.446 -1.171) 1.861 5.454 ( 0.000 3.363 11.717) 12.190 5.640 ( 0.000 4.536 -7.236) 8.540 5.656 ( 0.000 4.284 -0.028) 4.285 5.835 ( 0.000 6.361 -1.086) 6.453 6.022 ( 0.000 5.015 3.561) 6.151 6.227 ( 0.000 1.250 -1.250) 1.767 6.362 ( 0.000 2.273 0.134) 2.277 6.636 ( 0.000 -9.515 -4.321) 10.450 6.973 ( 0.000 -14.060 11.055) 17.885 7.584 ( 0.000 -14.418 -3.903) 14.937 9.779 ( 0.000 0.035 1.303) 1.304 10.010 ( 0.000 2.130 -4.768) 5.222 10.185 ( 0.000 0.514 3.916) 3.949 10.292 ( 0.000 11.664 -0.151) 11.665 10.371 ( 0.000 -2.676 0.219) 2.685 10.459 ( 0.000 5.379 -3.647) 6.499 10.749 ( 0.000 4.846 7.603) 9.016 11.127 ( 0.000 -1.618 -2.384) 2.881 13.642 ( 0.000 -3.080 -1.071) 3.261 13.646 ( 0.000 -0.893 -4.388) 4.478 13.996 ( 0.000 -2.230 7.345) 7.676 14.100 ( 0.000 -3.146 -0.018) 3.146 14.196 ( 0.000 0.335 -0.992) 1.047 14.221 ( 0.000 3.726 -2.138) 4.296 14.383 ( 0.000 7.215 -1.081) 7.295 14.402 ( 0.000 -0.850 -2.961) 3.080 14.466 ( 0.000 8.892 2.157) 9.150 14.600 ( 0.000 8.873 -1.661) 9.027 14.917 ( 0.000 -3.630 5.032) 6.204 15.125 ( 0.000 -6.728 -0.860) 6.783 24.018 ( 0.000 -0.664 0.269) 0.716 24.031 ( 0.000 -0.329 0.622) 0.703 24.050 ( 0.000 -1.014 1.214) 1.582 24.068 ( 0.000 -1.411 -0.567) 1.521 25.307 ( 0.000 -0.167 1.532) 1.541 25.435 ( 0.000 -2.542 -1.309) 2.860 25.624 ( 0.000 -8.617 8.761) 12.289 25.952 ( 0.000 -13.425 -1.404) 13.499 26.530 ( 0.000 4.828 -0.092) 4.829 26.571 ( 0.000 5.676 -1.750) 5.940 26.713 ( 0.000 1.934 3.685) 4.161 26.863 ( 0.000 -1.878 0.015) 1.878 27.067 ( 0.000 -1.093 0.845) 1.382 27.249 ( 0.000 -6.473 -3.335) 7.282 27.612 ( 0.000 12.768 2.788) 13.069 28.114 ( 0.000 6.674 -13.291) 14.872 ======================= Grid point 78 (30/60) ======================= q-point: ( 0.14 0.22 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 158 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.032 ( 11.467 13.157 5.038) 18.166 1.222 ( 7.720 20.232 9.666) 23.714 1.571 ( 2.428 0.411 -5.538) 6.061 1.753 ( 3.290 11.815 -1.297) 12.333 1.870 ( 14.629 4.581 -0.018) 15.329 1.935 ( 1.306 -1.004 1.850) 2.477 1.961 ( 8.721 9.246 -2.197) 12.899 2.092 ( 7.396 3.457 -1.059) 8.233 2.302 ( 5.389 11.046 12.045) 17.209 2.378 ( 0.334 -2.971 0.888) 3.118 2.534 ( 2.224 0.067 -1.508) 2.688 2.584 ( 5.520 6.993 -0.673) 8.935 2.623 ( 2.118 4.010 1.365) 4.736 2.730 ( 3.485 0.555 3.465) 4.945 2.819 ( -2.587 2.027 -1.726) 3.712 2.904 ( 3.603 3.784 4.379) 6.817 2.938 ( 4.563 1.486 5.255) 7.116 3.101 ( 5.293 5.321 -0.501) 7.522 3.155 ( -8.570 5.562 2.251) 10.462 3.306 ( -0.524 5.925 -1.256) 6.079 3.320 ( -1.440 9.182 0.571) 9.312 3.463 ( -2.074 6.702 4.530) 8.351 3.548 ( 7.264 1.327 -3.454) 8.152 3.640 ( 8.850 1.546 0.906) 9.030 3.755 ( 0.377 7.703 -3.501) 8.469 3.909 ( 4.328 2.914 -0.873) 5.290 4.143 ( -1.158 -9.389 6.511) 11.484 4.417 ( -2.471 -1.613 -2.710) 4.006 4.452 ( -3.694 8.464 -12.801) 15.785 4.518 ( -3.678 -0.169 -1.012) 3.818 4.639 ( 4.639 3.414 -5.062) 7.668 4.742 ( -3.284 0.630 3.925) 5.156 4.810 ( -2.011 5.317 2.438) 6.185 5.001 ( 0.594 -1.221 -6.201) 6.348 5.105 ( -1.507 -1.820 -4.562) 5.138 5.305 ( 1.008 15.666 3.107) 16.003 5.370 ( -1.781 3.314 -1.878) 4.205 5.386 ( 0.181 9.681 1.088) 9.743 5.465 ( 2.237 9.490 6.384) 11.654 5.633 ( -0.232 6.376 -5.394) 8.355 5.657 ( -1.043 1.843 -0.853) 2.283 5.832 ( -0.618 6.266 -1.208) 6.411 5.920 ( -7.864 8.673 2.890) 12.059 6.136 ( -10.161 4.802 -4.209) 12.001 6.421 ( 6.001 -2.021 2.418) 6.778 6.692 ( 5.183 -10.212 4.397) 12.267 6.961 ( 2.085 -10.835 6.197) 12.655 7.730 ( 8.600 -18.797 -8.777) 22.457 9.853 ( 7.206 -0.309 1.278) 7.325 10.034 ( 2.548 2.134 -3.808) 5.055 10.221 ( 3.462 0.597 3.317) 4.832 10.285 ( -0.140 11.066 0.262) 11.070 10.392 ( 2.160 -0.483 0.346) 2.240 10.481 ( 0.918 3.569 -1.420) 3.950 10.746 ( -0.225 5.917 4.731) 7.579 11.095 ( -3.348 -2.491 -2.503) 4.866 13.649 ( 1.178 -1.966 -1.898) 2.976 13.671 ( 1.970 -1.852 -2.682) 3.808 13.967 ( -3.316 -1.717 7.586) 8.455 14.073 ( -5.134 -1.356 0.036) 5.310 14.115 ( -4.096 1.430 0.066) 4.339 14.154 ( -5.653 3.640 -0.940) 6.788 14.266 ( -4.959 2.045 0.004) 5.364 14.364 ( -2.168 8.504 -1.648) 8.929 14.625 ( 4.773 5.642 -2.404) 7.771 14.675 ( 7.663 1.653 -2.646) 8.274 14.825 ( -7.571 -2.567 4.881) 9.367 15.048 ( -7.531 -6.436 -1.259) 9.986 24.028 ( 1.015 -0.516 0.392) 1.204 24.044 ( 0.983 -0.856 0.613) 1.440 24.056 ( 0.959 -0.345 0.902) 1.361 24.085 ( 1.494 -1.480 -0.482) 2.158 25.320 ( 1.293 -0.260 1.715) 2.163 25.456 ( 1.889 -2.832 -0.931) 3.529 25.611 ( -1.005 -7.648 7.317) 10.632 25.927 ( -2.531 -13.207 -1.542) 13.535 26.521 ( -0.528 4.702 -0.087) 4.732 26.578 ( 0.713 5.905 -2.380) 6.407 26.719 ( 0.494 5.576 4.154) 6.971 26.918 ( 4.716 0.394 0.063) 4.733 27.106 ( 3.005 -2.776 -0.015) 4.091 27.324 ( 7.776 -5.765 -3.181) 10.190 27.546 ( -5.841 11.900 4.354) 13.952 28.134 ( 1.234 0.996 -12.644) 12.743 ======================= Grid point 79 (31/60) ======================= q-point: ( 0.29 0.22 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 158 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.289 ( 14.228 9.751 -0.170) 17.250 1.429 ( 11.437 14.118 6.613) 19.335 1.646 ( 5.393 0.481 -3.373) 6.379 1.790 ( 1.408 14.074 0.487) 14.153 1.968 ( 1.476 -2.465 -0.301) 2.889 2.060 ( 4.981 -1.268 0.274) 5.147 2.098 ( 3.636 4.276 -2.496) 6.143 2.193 ( 2.734 4.031 -5.636) 7.449 2.361 ( 0.011 1.907 2.697) 3.303 2.488 ( 5.000 -1.497 5.728) 7.749 2.586 ( 2.451 3.640 -3.596) 5.673 2.635 ( 2.339 7.092 -0.619) 7.494 2.755 ( 0.241 3.256 1.719) 3.689 2.824 ( 14.335 10.849 1.167) 18.015 2.872 ( 10.933 7.586 5.292) 14.321 2.954 ( 1.197 -1.370 4.115) 4.499 3.027 ( -2.015 6.948 3.899) 8.217 3.037 ( 4.920 7.100 7.329) 11.329 3.184 ( 2.265 6.993 1.068) 7.428 3.253 ( -4.000 7.881 -0.047) 8.839 3.362 ( 4.997 3.364 0.343) 6.034 3.470 ( 3.129 3.148 1.154) 4.586 3.614 ( -2.145 6.478 0.596) 6.850 3.811 ( 6.712 7.269 1.901) 10.075 3.820 ( 8.640 -2.105 -4.289) 9.873 4.020 ( 6.377 2.251 -5.079) 8.458 4.127 ( 0.133 -6.806 5.159) 8.541 4.311 ( -7.700 0.059 -0.494) 7.716 4.343 ( -4.365 11.132 -9.195) 15.084 4.535 ( -0.574 4.112 -6.079) 7.362 4.641 ( 1.241 4.608 -0.747) 4.830 4.770 ( 2.552 2.996 1.774) 4.317 4.842 ( 4.522 2.372 2.815) 5.831 4.993 ( -2.182 1.168 -1.981) 3.170 5.094 ( 0.969 -0.676 -2.585) 2.842 5.286 ( -2.875 11.177 0.874) 11.574 5.344 ( -0.857 0.637 1.804) 2.096 5.393 ( 2.452 1.424 -1.400) 3.162 5.540 ( 4.330 12.810 0.165) 13.523 5.588 ( -5.002 3.337 0.993) 6.095 5.635 ( -1.081 5.210 -3.406) 6.318 5.752 ( -7.417 1.661 -0.825) 7.645 5.813 ( -3.199 13.353 1.671) 13.832 5.942 ( -7.979 7.683 -1.741) 11.212 6.548 ( 6.800 -3.500 4.180) 8.716 6.771 ( 1.851 -10.437 13.106) 16.856 7.089 ( 10.880 -8.762 -5.064) 14.859 7.774 ( -4.241 -17.796 -10.894) 21.292 10.009 ( 7.893 -1.129 0.993) 8.035 10.105 ( 4.617 1.846 -1.355) 5.154 10.294 ( 2.059 6.847 0.617) 7.176 10.311 ( 4.639 5.378 1.180) 7.200 10.434 ( 1.222 2.358 1.053) 2.857 10.469 ( -1.179 4.312 2.373) 5.061 10.740 ( -0.424 6.482 0.454) 6.512 11.002 ( -6.355 -4.554 -2.579) 8.233 13.688 ( 2.894 -1.460 -0.792) 3.336 13.714 ( 2.439 -1.975 -1.475) 3.467 13.875 ( -4.945 -0.228 5.195) 7.176 13.970 ( -4.764 -0.548 1.482) 5.019 14.026 ( -5.450 3.511 -0.314) 6.491 14.071 ( -3.941 -1.099 -0.037) 4.092 14.194 ( -2.253 1.020 0.650) 2.557 14.314 ( -3.211 6.772 -1.063) 7.569 14.625 ( -3.974 0.753 1.000) 4.167 14.730 ( 0.881 3.054 -0.359) 3.199 14.807 ( 2.763 -1.749 -4.121) 5.260 14.880 ( -8.040 -5.224 -1.880) 9.771 24.051 ( 1.257 -0.438 0.474) 1.413 24.061 ( 0.821 -0.541 0.804) 1.270 24.085 ( 1.768 -0.593 0.319) 1.892 24.114 ( 1.264 -1.497 -0.452) 2.011 25.355 ( 2.269 -0.701 2.264) 3.281 25.481 ( -0.091 -3.337 1.998) 3.890 25.614 ( 2.190 -6.774 2.337) 7.492 25.863 ( -3.992 -12.292 -1.756) 13.042 26.522 ( 0.718 5.185 0.044) 5.235 26.594 ( 0.499 6.891 -2.543) 7.362 26.736 ( 1.826 10.535 3.539) 11.263 26.991 ( 1.420 8.542 -2.341) 8.970 27.161 ( 2.958 -5.829 0.712) 6.575 27.377 ( -5.734 2.443 2.589) 6.749 27.577 ( 12.517 -2.086 1.153) 12.742 28.127 ( -2.536 -5.234 -10.011) 11.578 ======================= Grid point 80 (32/60) ======================= q-point: ( 0.43 0.22 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 158 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.519 ( 8.541 5.724 -1.606) 10.406 1.578 ( 2.844 5.650 1.314) 6.461 1.765 ( 5.943 8.293 -0.035) 10.203 1.811 ( 0.702 9.234 0.906) 9.305 1.975 ( 0.508 0.379 -2.731) 2.804 2.044 ( -5.244 2.339 -1.821) 6.024 2.160 ( 3.541 2.650 -1.660) 4.724 2.212 ( -1.167 4.546 -4.294) 6.361 2.393 ( 3.466 -1.590 1.383) 4.056 2.464 ( -3.686 -2.051 -0.005) 4.218 2.610 ( 1.950 6.714 0.892) 7.048 2.660 ( -2.341 6.500 -0.464) 6.924 2.788 ( 3.652 5.571 4.094) 7.819 2.870 ( -4.878 8.052 4.730) 10.536 3.003 ( 5.094 2.697 0.575) 5.792 3.077 ( 0.948 2.132 1.634) 2.848 3.124 ( 8.789 2.139 -1.856) 9.234 3.153 ( 3.663 7.255 7.172) 10.839 3.194 ( 0.270 7.835 6.714) 10.322 3.280 ( 5.183 8.640 -2.209) 10.315 3.435 ( 2.939 2.989 0.925) 4.293 3.506 ( -6.372 6.531 4.846) 10.332 3.596 ( 11.029 5.970 3.536) 13.030 3.826 ( -7.639 6.269 2.995) 10.326 3.987 ( 7.234 -3.098 -4.131) 8.889 4.083 ( -2.040 -0.537 -3.606) 4.178 4.156 ( 2.526 -1.838 -2.384) 3.930 4.224 ( -1.111 9.629 -5.014) 10.913 4.304 ( 3.078 5.592 -2.564) 6.879 4.437 ( -7.523 6.996 -1.991) 10.465 4.748 ( 7.264 3.674 -2.053) 8.395 4.833 ( 2.802 3.972 -0.331) 4.872 4.878 ( -1.360 1.438 1.628) 2.562 4.925 ( -3.660 2.383 1.493) 4.616 5.134 ( 3.246 3.689 -0.890) 4.994 5.217 ( -4.602 8.839 -1.538) 10.084 5.373 ( 4.196 -3.942 0.673) 5.796 5.438 ( 0.612 -2.297 -2.021) 3.120 5.495 ( -2.618 2.437 0.064) 3.578 5.525 ( -6.749 2.413 -0.300) 7.174 5.642 ( 5.028 12.102 0.577) 13.118 5.725 ( 3.580 8.669 -0.234) 9.383 5.737 ( -4.688 13.190 0.941) 14.030 5.823 ( -5.681 6.601 -0.552) 8.726 6.669 ( 5.707 -5.035 6.968) 10.318 6.756 ( -3.089 -7.541 11.018) 13.705 7.338 ( 14.357 -10.647 -8.329) 19.720 7.603 ( -12.561 -13.951 -9.876) 21.212 10.132 ( 4.907 -1.993 1.654) 5.549 10.173 ( 1.241 -0.985 1.592) 2.246 10.326 ( 1.408 8.429 0.157) 8.547 10.355 ( -1.508 6.378 -0.641) 6.585 10.454 ( 2.794 6.784 2.146) 7.644 10.477 ( 0.396 11.048 0.998) 11.100 10.753 ( 3.040 -0.078 -0.850) 3.157 10.864 ( -7.541 -5.764 -2.010) 9.702 13.756 ( 3.509 -1.353 0.427) 3.785 13.759 ( 2.893 -2.087 0.203) 3.573 13.806 ( -2.303 -1.095 2.634) 3.666 13.867 ( -5.975 -1.432 1.801) 6.403 13.964 ( -0.912 1.822 -0.014) 2.038 13.989 ( -3.337 0.710 -0.063) 3.412 14.192 ( 1.730 1.480 0.889) 2.444 14.246 ( -3.583 3.983 -0.077) 5.358 14.594 ( 1.321 -0.903 0.041) 1.601 14.669 ( -5.993 -1.658 -1.202) 6.333 14.816 ( 1.698 0.612 -2.868) 3.388 14.843 ( -0.527 -0.669 -3.857) 3.950 24.070 ( 0.605 -0.377 0.563) 0.908 24.072 ( 0.302 -0.324 0.668) 0.801 24.115 ( 1.211 -1.094 -0.027) 1.632 24.127 ( 0.023 -1.397 -0.304) 1.430 25.403 ( 2.693 -1.575 3.045) 4.360 25.453 ( -2.381 -2.691 3.599) 5.086 25.687 ( 4.770 -8.180 -1.067) 9.529 25.779 ( -4.727 -10.495 -1.768) 11.645 26.547 ( 1.787 6.471 0.079) 6.713 26.582 ( -1.596 7.488 -0.671) 7.685 26.810 ( 5.957 13.668 -0.266) 14.912 26.937 ( -6.236 15.189 -3.665) 16.823 27.225 ( 3.464 -6.238 3.499) 7.947 27.286 ( -3.402 -3.493 4.899) 6.912 27.830 ( 12.573 -5.227 -2.590) 13.860 28.028 ( -7.945 -6.507 -6.222) 12.007 ======================= Grid point 84 (33/60) ======================= q-point: ( 0.00 0.33 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 92 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.178 ( 0.000 12.917 1.555) 13.010 1.525 ( 0.000 8.842 -0.262) 8.846 1.585 ( 0.000 6.139 -0.716) 6.181 1.700 ( 0.000 1.429 -1.421) 2.015 1.818 ( 0.000 -0.130 2.376) 2.380 2.057 ( 0.000 6.082 1.625) 6.295 2.062 ( 0.000 5.839 1.293) 5.981 2.102 ( 0.000 8.365 -1.236) 8.455 2.256 ( 0.000 -0.564 2.857) 2.912 2.459 ( 0.000 3.561 0.145) 3.564 2.513 ( 0.000 -0.479 -4.109) 4.137 2.581 ( 0.000 1.429 5.356) 5.544 2.641 ( 0.000 2.876 -2.388) 3.738 2.734 ( 0.000 3.506 5.973) 6.926 2.817 ( 0.000 -2.129 0.275) 2.146 2.927 ( 0.000 2.777 2.667) 3.850 2.967 ( 0.000 -7.069 -4.778) 8.533 3.049 ( 0.000 10.385 -1.677) 10.520 3.281 ( 0.000 -1.964 -0.669) 2.074 3.369 ( 0.000 -9.679 -1.452) 9.787 3.472 ( 0.000 1.815 1.427) 2.308 3.485 ( 0.000 7.466 -8.195) 11.086 3.627 ( 0.000 15.146 2.587) 15.366 3.796 ( 0.000 13.173 10.166) 16.639 3.814 ( 0.000 1.574 -3.446) 3.788 3.947 ( 0.000 -0.153 3.323) 3.327 4.083 ( 0.000 6.024 6.963) 9.207 4.295 ( 0.000 -7.138 0.319) 7.146 4.424 ( 0.000 -3.442 -0.302) 3.456 4.624 ( 0.000 0.893 -3.577) 3.687 4.699 ( 0.000 3.323 -2.405) 4.102 4.826 ( 0.000 3.550 -8.827) 9.514 4.916 ( 0.000 -5.227 -12.336) 13.397 4.956 ( 0.000 6.025 1.683) 6.255 4.975 ( 0.000 -10.717 -3.945) 11.420 5.341 ( 0.000 -2.428 -4.378) 5.006 5.460 ( 0.000 1.548 12.635) 12.729 5.566 ( 0.000 3.964 4.671) 6.126 5.724 ( 0.000 6.383 -2.943) 7.029 5.883 ( 0.000 16.750 -7.899) 18.519 5.885 ( 0.000 21.941 1.848) 22.019 5.945 ( 0.000 6.834 -0.661) 6.866 6.165 ( 0.000 9.813 2.814) 10.209 6.239 ( 0.000 0.340 1.155) 1.204 6.405 ( 0.000 2.378 -0.898) 2.542 6.470 ( 0.000 -6.472 3.211) 7.225 6.752 ( 0.000 -8.852 6.799) 11.161 7.292 ( 0.000 -16.548 -4.134) 17.057 9.805 ( 0.000 2.534 1.144) 2.781 10.001 ( 0.000 -1.833 -3.071) 3.577 10.153 ( 0.000 -3.104 1.358) 3.388 10.281 ( 0.000 -5.478 -1.227) 5.614 10.522 ( 0.000 10.958 0.783) 10.986 10.643 ( 0.000 11.708 -2.287) 11.929 10.826 ( 0.000 2.640 5.333) 5.951 11.094 ( 0.000 -2.167 -1.431) 2.597 13.608 ( 0.000 -0.555 -0.868) 1.030 13.640 ( 0.000 -0.088 -3.657) 3.658 13.955 ( 0.000 -1.648 4.865) 5.137 14.036 ( 0.000 -3.360 0.124) 3.362 14.210 ( 0.000 1.191 -1.302) 1.765 14.283 ( 0.000 1.736 -5.207) 5.489 14.408 ( 0.000 2.486 0.837) 2.623 14.487 ( 0.000 4.513 -2.653) 5.235 14.642 ( 0.000 7.411 4.168) 8.503 14.754 ( 0.000 6.811 0.856) 6.864 14.840 ( 0.000 -4.274 3.364) 5.439 14.989 ( 0.000 -6.763 -0.565) 6.786 24.004 ( 0.000 -0.641 -0.212) 0.675 24.021 ( 0.000 -0.821 -0.241) 0.856 24.038 ( 0.000 -0.322 1.035) 1.084 24.045 ( 0.000 -0.805 0.312) 0.864 25.315 ( 0.000 1.121 0.476) 1.218 25.390 ( 0.000 -1.969 -0.827) 2.136 25.496 ( 0.000 -4.979 4.834) 6.940 25.707 ( 0.000 -11.608 -1.016) 11.652 26.622 ( 0.000 4.480 -0.928) 4.576 26.637 ( 0.000 1.723 -1.669) 2.399 26.792 ( 0.000 5.170 3.494) 6.240 26.821 ( 0.000 -2.187 2.563) 3.369 27.049 ( 0.000 -0.899 -0.835) 1.227 27.112 ( 0.000 -7.039 -2.280) 7.399 27.853 ( 0.000 11.652 1.569) 11.757 28.183 ( 0.000 0.967 -7.059) 7.125 ======================= Grid point 85 (34/60) ======================= q-point: ( 0.14 0.33 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 158 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.272 ( 8.858 11.395 0.034) 14.433 1.552 ( 2.436 5.336 -1.653) 6.095 1.612 ( 5.636 11.950 2.711) 13.488 1.825 ( 6.971 -3.469 -1.780) 7.987 1.854 ( 4.946 -1.739 1.313) 5.405 2.014 ( -1.431 7.270 1.995) 7.673 2.139 ( 5.540 6.371 -0.739) 8.475 2.196 ( 5.568 5.757 -4.651) 9.262 2.284 ( 4.326 -2.161 5.637) 7.427 2.472 ( 0.413 4.522 -0.610) 4.582 2.575 ( 5.750 3.286 -2.958) 7.253 2.591 ( 2.268 -2.457 0.905) 3.464 2.718 ( 5.756 2.228 0.432) 6.187 2.808 ( 8.488 5.369 4.783) 11.124 2.832 ( 1.109 -1.574 0.510) 1.991 2.957 ( 1.613 3.578 -0.205) 3.930 3.022 ( 7.169 2.445 3.458) 8.327 3.085 ( 4.281 1.344 -3.534) 5.712 3.200 ( -5.880 -0.286 0.471) 5.905 3.353 ( -1.624 -4.036 0.655) 4.400 3.464 ( 0.172 4.319 -3.850) 5.789 3.553 ( 3.592 3.641 -4.619) 6.892 3.667 ( 4.608 10.585 0.319) 11.549 3.806 ( 4.047 11.276 6.315) 13.543 3.906 ( 4.378 6.244 1.368) 7.747 3.969 ( 3.149 1.398 0.814) 3.540 4.036 ( -4.013 2.698 8.416) 9.706 4.302 ( 0.825 -5.149 -2.058) 5.606 4.473 ( 4.211 -2.382 0.873) 4.916 4.660 ( -2.185 3.391 -7.099) 8.165 4.677 ( 1.952 2.179 -6.039) 6.710 4.736 ( -4.554 0.039 -0.853) 4.633 4.914 ( 0.677 -3.512 -9.360) 10.020 4.957 ( -0.104 5.550 3.267) 6.441 5.011 ( 2.023 -5.947 -5.216) 8.165 5.315 ( -2.828 -3.696 -0.269) 4.662 5.429 ( -2.603 1.024 6.644) 7.209 5.513 ( -4.860 3.805 4.709) 7.764 5.688 ( -3.536 2.879 -1.796) 4.901 5.845 ( -5.848 5.318 -6.182) 10.035 5.882 ( 0.456 20.941 -0.829) 20.963 5.936 ( -0.663 12.377 -1.035) 12.438 6.139 ( -2.313 11.383 2.804) 11.949 6.226 ( -5.413 5.678 -0.069) 7.845 6.385 ( 4.886 -0.942 3.141) 5.884 6.556 ( 5.976 -2.724 6.035) 8.919 6.791 ( 4.958 -6.924 3.251) 9.116 7.380 ( 6.284 -18.244 -5.607) 20.094 9.867 ( 5.968 1.780 0.914) 6.295 10.028 ( 2.708 -1.528 -3.372) 4.587 10.181 ( 2.628 -3.609 2.834) 5.288 10.309 ( 2.683 -5.333 -1.409) 6.133 10.526 ( 0.763 11.083 1.453) 11.204 10.652 ( 0.559 11.747 -1.701) 11.883 10.833 ( 0.824 2.586 2.801) 3.900 11.059 ( -3.647 -1.754 -1.550) 4.334 13.624 ( 1.639 -0.428 -0.821) 1.883 13.655 ( 1.510 -0.305 -2.971) 3.347 13.936 ( -2.101 -1.278 5.107) 5.669 14.017 ( -2.283 -3.336 0.360) 4.058 14.156 ( -5.616 2.299 -0.102) 6.069 14.221 ( -4.243 2.643 -3.142) 5.904 14.317 ( -7.279 3.621 1.745) 8.315 14.483 ( -2.157 3.605 -4.043) 5.830 14.697 ( 4.535 2.644 2.146) 5.671 14.751 ( -4.289 1.580 1.731) 4.888 14.790 ( -0.575 1.444 1.336) 2.049 14.924 ( -6.240 -5.614 -0.937) 8.446 24.016 ( 1.135 -0.576 -0.070) 1.275 24.031 ( 1.028 -0.603 -0.019) 1.192 24.050 ( 1.149 -0.332 0.766) 1.420 24.059 ( 1.336 -0.993 0.221) 1.679 25.325 ( 1.014 0.954 0.677) 1.548 25.406 ( 1.482 -2.150 -0.574) 2.674 25.492 ( -0.217 -4.711 4.103) 6.251 25.690 ( -1.644 -11.053 -1.029) 11.222 26.610 ( -0.476 4.386 -0.818) 4.487 26.656 ( 1.763 2.492 -2.538) 3.970 26.816 ( 2.631 3.328 3.336) 5.397 26.900 ( 6.848 -0.955 4.379) 8.184 27.054 ( 1.338 -2.175 -1.875) 3.168 27.219 ( 9.554 -4.748 -2.767) 11.022 27.781 ( -7.155 11.677 2.320) 13.889 28.141 ( -4.094 -0.682 -6.801) 7.968 ======================= Grid point 86 (35/60) ======================= q-point: ( 0.29 0.33 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 158 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.464 ( 10.106 7.892 -2.467) 13.057 1.607 ( 3.287 3.117 -1.651) 4.821 1.778 ( 9.636 13.296 4.734) 17.089 1.887 ( 1.220 -4.795 2.436) 5.515 1.979 ( 4.335 -3.680 -1.266) 5.825 2.021 ( 3.142 7.214 0.797) 7.909 2.199 ( 1.689 6.564 -3.488) 7.622 2.281 ( 3.645 4.174 -4.792) 7.326 2.383 ( 2.092 -0.079 1.145) 2.386 2.474 ( 0.649 1.515 -1.008) 1.932 2.644 ( 2.405 -2.629 -2.056) 4.113 2.669 ( 2.476 0.743 -2.849) 3.847 2.825 ( 1.728 2.665 3.445) 4.686 2.874 ( 8.328 1.531 -1.502) 8.600 2.947 ( 4.648 1.259 1.803) 5.142 3.056 ( -3.250 0.792 0.465) 3.377 3.124 ( 10.308 6.434 3.782) 12.726 3.195 ( 8.740 5.087 5.963) 11.739 3.216 ( 7.194 2.571 -0.151) 7.640 3.349 ( 2.873 0.178 -0.587) 2.938 3.466 ( -0.481 8.065 -5.762) 9.924 3.597 ( 1.537 7.100 1.712) 7.464 3.770 ( 4.910 3.526 -0.435) 6.061 3.857 ( -1.435 11.104 3.887) 11.851 3.943 ( 1.165 0.601 5.607) 5.758 4.039 ( 5.601 3.532 5.834) 8.825 4.069 ( 6.349 3.123 -6.971) 9.933 4.318 ( 0.898 0.788 -0.984) 1.548 4.508 ( -3.608 4.118 -5.130) 7.503 4.590 ( -0.781 2.760 -6.001) 6.651 4.692 ( 2.592 -0.385 -1.135) 2.855 4.787 ( 4.931 -4.508 -0.733) 6.721 4.937 ( 0.377 6.320 2.216) 6.708 4.980 ( 3.721 0.202 -1.570) 4.043 5.042 ( 1.343 -1.801 -2.791) 3.583 5.257 ( -1.935 -5.292 3.261) 6.511 5.376 ( -3.044 0.155 -2.110) 3.707 5.420 ( -4.118 1.157 2.736) 5.077 5.590 ( -7.187 -1.157 -0.218) 7.283 5.662 ( -10.850 -1.588 -1.771) 11.108 5.903 ( 1.630 17.633 -1.178) 17.748 5.932 ( 0.183 13.160 -2.047) 13.320 6.085 ( -3.435 11.367 1.867) 12.021 6.108 ( -5.687 9.048 1.795) 10.837 6.524 ( 7.553 3.078 4.101) 9.129 6.659 ( 4.078 -0.646 9.883) 10.711 6.939 ( 10.027 -6.668 -2.895) 12.384 7.439 ( -1.024 -17.169 -6.668) 18.447 9.994 ( 6.353 0.006 0.538) 6.375 10.097 ( 4.001 -1.377 -2.477) 4.903 10.241 ( 3.550 -5.136 3.689) 7.252 10.361 ( 2.020 -5.156 -0.878) 5.607 10.559 ( 2.797 11.494 1.807) 11.966 10.666 ( 1.452 11.886 -0.978) 12.014 10.848 ( 0.145 3.657 -1.154) 3.837 10.963 ( -6.092 -0.064 -1.601) 6.299 13.669 ( 3.056 -0.401 -0.268) 3.094 13.692 ( 2.169 -0.608 -1.485) 2.698 13.872 ( -4.420 -0.156 5.073) 6.730 13.942 ( -5.080 -2.131 1.458) 5.698 14.062 ( -3.856 1.048 -0.119) 3.998 14.113 ( -6.960 4.920 -0.805) 8.561 14.199 ( -3.692 -0.590 1.719) 4.115 14.401 ( -6.202 1.237 -2.089) 6.660 14.643 ( -4.038 1.535 1.277) 4.504 14.766 ( -3.190 -2.372 -1.554) 4.268 14.788 ( 0.626 1.428 -1.073) 1.893 14.822 ( -0.204 0.358 -1.075) 1.151 24.042 ( 1.401 -0.417 0.208) 1.477 24.054 ( 1.144 -0.230 0.305) 1.206 24.074 ( 1.297 -0.554 0.301) 1.442 24.086 ( 1.231 -1.225 0.075) 1.738 25.351 ( 1.639 0.496 1.186) 2.083 25.428 ( 0.193 -2.036 1.342) 2.446 25.502 ( 1.666 -4.849 1.182) 5.262 25.651 ( -2.392 -9.665 -1.048) 10.012 26.620 ( 1.596 4.897 -0.359) 5.163 26.697 ( 2.102 3.885 -2.817) 5.239 26.877 ( 3.545 2.810 2.215) 5.036 27.028 ( 4.742 -5.369 4.374) 8.393 27.104 ( 4.438 4.122 -1.868) 6.338 27.416 ( 7.837 -1.444 -4.952) 9.382 27.625 ( -6.001 8.229 5.327) 11.494 28.040 ( -6.260 -4.204 -5.882) 9.563 ======================= Grid point 87 (36/60) ======================= q-point: ( 0.43 0.33 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 158 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.619 ( 5.454 4.389 -1.916) 7.258 1.658 ( 1.142 3.191 -0.499) 3.426 1.893 ( 0.571 -1.525 2.209) 2.744 1.897 ( 1.141 0.695 2.687) 3.001 2.039 ( 4.425 7.930 -1.883) 9.274 2.089 ( 1.065 5.104 0.005) 5.214 2.237 ( 2.737 6.140 -3.412) 7.539 2.303 ( -2.835 5.372 -3.008) 6.778 2.397 ( 2.734 2.309 -3.877) 5.276 2.459 ( -2.659 0.822 -3.000) 4.092 2.677 ( 1.420 -0.512 -0.485) 1.586 2.693 ( 0.169 -2.889 -1.657) 3.334 2.851 ( 2.338 0.938 3.643) 4.429 2.921 ( -4.251 -0.762 2.619) 5.051 3.045 ( 4.969 -0.005 -0.468) 4.991 3.089 ( 3.463 -2.422 -3.273) 5.345 3.191 ( 3.579 5.525 -2.320) 6.979 3.291 ( -3.550 7.187 -2.232) 8.321 3.363 ( 7.682 10.338 4.824) 13.753 3.451 ( 3.440 7.108 2.867) 8.401 3.505 ( 4.068 6.093 3.791) 8.249 3.590 ( -3.714 2.999 4.421) 6.506 3.834 ( 7.718 13.346 5.286) 16.298 3.893 ( 4.267 -2.594 0.251) 5.000 3.948 ( -1.367 -3.160 1.334) 3.692 4.033 ( -7.993 6.315 0.858) 10.223 4.226 ( 9.091 4.740 -7.430) 12.662 4.379 ( -3.473 5.540 -5.724) 8.690 4.412 ( 3.808 4.782 -2.323) 6.540 4.542 ( -5.095 2.916 -1.720) 6.118 4.804 ( 6.211 0.098 -0.499) 6.232 4.851 ( 1.768 -4.412 0.092) 4.754 4.947 ( 0.753 6.474 2.992) 7.171 4.995 ( -2.874 4.731 0.449) 5.554 5.113 ( 6.816 -1.539 1.069) 7.069 5.269 ( -5.159 -3.417 -2.559) 6.697 5.293 ( 0.923 -1.497 1.397) 2.246 5.361 ( -2.732 -1.827 0.034) 3.287 5.461 ( -2.225 -4.164 -0.171) 4.724 5.510 ( -5.898 -3.860 -1.534) 7.214 5.943 ( 2.468 13.723 -0.010) 13.943 5.949 ( 1.946 11.840 -0.742) 12.022 6.010 ( -3.926 10.797 1.069) 11.538 6.017 ( -3.854 12.028 1.239) 12.691 6.643 ( 4.693 3.844 5.916) 8.473 6.694 ( -0.506 1.973 8.551) 8.790 7.148 ( 11.306 -8.958 -5.249) 15.350 7.343 ( -8.437 -13.011 -6.262) 16.724 10.094 ( 4.097 -1.230 1.038) 4.402 10.140 ( -0.244 -1.473 0.701) 1.650 10.313 ( 3.748 -6.489 0.651) 7.522 10.366 ( -1.451 -5.268 -0.452) 5.483 10.638 ( 5.212 11.229 0.834) 12.408 10.701 ( 0.567 10.834 -0.521) 10.862 10.827 ( -1.716 4.833 -2.252) 5.601 10.853 ( -4.296 3.998 -1.560) 6.073 13.732 ( 2.604 -0.699 0.573) 2.756 13.738 ( 3.354 -0.558 0.527) 3.440 13.794 ( -2.998 -0.245 3.230) 4.414 13.838 ( -5.504 -1.547 2.137) 6.104 14.003 ( -1.720 1.788 -0.126) 2.484 14.014 ( -2.873 2.738 0.076) 3.969 14.185 ( 2.107 -2.323 1.335) 3.409 14.271 ( -6.505 -1.935 -0.142) 6.788 14.615 ( 0.837 3.141 -0.466) 3.284 14.665 ( -4.280 2.084 -1.577) 5.015 14.824 ( 1.165 -1.070 -2.205) 2.714 14.832 ( 0.265 -0.149 -2.041) 2.064 24.064 ( 0.771 -0.195 0.419) 0.899 24.068 ( 0.289 -0.077 0.466) 0.553 24.095 ( 0.761 -0.968 0.003) 1.231 24.100 ( 0.225 -1.247 -0.030) 1.267 25.384 ( 1.730 -0.215 1.804) 2.509 25.414 ( -1.318 -1.149 2.239) 2.841 25.549 ( 2.852 -6.161 -0.675) 6.823 25.602 ( -2.695 -7.915 -1.014) 8.423 26.666 ( 2.844 5.765 -0.031) 6.428 26.709 ( -1.149 5.740 -0.854) 5.916 26.961 ( 5.388 -0.246 -1.697) 5.654 27.047 ( -2.358 -5.214 -2.309) 6.171 27.216 ( 6.448 8.655 3.785) 11.438 27.353 ( -8.213 10.825 2.589) 13.833 27.723 ( 10.394 -5.852 -0.870) 11.960 27.904 ( -8.282 -6.496 -3.994) 11.258 ======================= Grid point 91 (37/60) ======================= q-point: ( 0.00 0.44 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 92 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.404 ( 0.000 10.584 -3.476) 11.141 1.549 ( 0.000 -2.398 -5.738) 6.219 1.651 ( 0.000 -1.185 -3.723) 3.907 1.682 ( 0.000 -2.693 -4.966) 5.649 1.927 ( 0.000 9.424 8.337) 12.582 2.061 ( 0.000 -3.988 8.622) 9.500 2.148 ( 0.000 3.478 3.538) 4.961 2.188 ( 0.000 0.098 4.223) 4.224 2.360 ( 0.000 7.611 -4.172) 8.680 2.477 ( 0.000 -3.997 -2.873) 4.922 2.521 ( 0.000 6.477 -1.270) 6.601 2.644 ( 0.000 -3.480 -3.516) 4.947 2.663 ( 0.000 4.974 1.868) 5.314 2.747 ( 0.000 -4.063 0.910) 4.164 2.776 ( 0.000 1.497 2.394) 2.823 2.838 ( 0.000 -5.622 -1.894) 5.933 3.010 ( 0.000 6.203 0.738) 6.246 3.164 ( 0.000 -9.458 -0.834) 9.495 3.212 ( 0.000 4.580 -3.976) 6.065 3.256 ( 0.000 -1.719 -2.799) 3.285 3.523 ( 0.000 3.747 0.241) 3.755 3.563 ( 0.000 0.720 -4.464) 4.522 3.838 ( 0.000 6.013 2.426) 6.484 3.846 ( 0.000 1.840 2.887) 3.424 3.913 ( 0.000 -1.206 4.375) 4.539 3.917 ( 0.000 -1.259 2.495) 2.794 4.252 ( 0.000 7.548 0.545) 7.568 4.290 ( 0.000 5.286 2.393) 5.802 4.391 ( 0.000 1.874 -7.212) 7.451 4.550 ( 0.000 -8.750 -2.356) 9.062 4.702 ( 0.000 -0.616 6.434) 6.463 4.757 ( 0.000 -7.769 -0.136) 7.770 4.888 ( 0.000 0.491 -8.283) 8.298 4.897 ( 0.000 1.117 -12.193) 12.245 5.085 ( 0.000 8.156 1.907) 8.376 5.244 ( 0.000 -7.363 -2.517) 7.781 5.512 ( 0.000 3.585 9.199) 9.873 5.573 ( 0.000 -2.088 4.721) 5.162 5.833 ( 0.000 5.289 -3.735) 6.474 5.916 ( 0.000 -2.945 -4.478) 5.360 6.186 ( 0.000 4.961 -0.834) 5.030 6.198 ( 0.000 4.948 0.702) 4.998 6.279 ( 0.000 7.499 3.850) 8.430 6.356 ( 0.000 2.738 3.851) 4.725 6.457 ( 0.000 3.255 -1.744) 3.693 6.473 ( 0.000 9.311 -1.490) 9.429 6.636 ( 0.000 0.691 5.781) 5.822 6.939 ( 0.000 -19.965 -1.079) 19.994 9.870 ( 0.000 4.031 1.073) 4.171 9.948 ( 0.000 -3.720 0.250) 3.729 10.120 ( 0.000 0.567 -1.609) 1.706 10.176 ( 0.000 -4.760 -1.856) 5.109 10.701 ( 0.000 7.368 1.482) 7.516 10.788 ( 0.000 -0.374 0.962) 1.032 10.896 ( 0.000 7.469 0.562) 7.490 11.028 ( 0.000 -5.134 -1.141) 5.260 13.614 ( 0.000 0.926 -0.763) 1.200 13.633 ( 0.000 -0.759 -1.748) 1.906 13.943 ( 0.000 0.599 1.908) 2.000 13.976 ( 0.000 -2.637 0.377) 2.664 14.241 ( 0.000 1.931 -1.932) 2.731 14.277 ( 0.000 -1.600 -3.619) 3.957 14.496 ( 0.000 5.323 -0.184) 5.326 14.549 ( 0.000 0.943 -2.799) 2.954 14.718 ( 0.000 1.125 4.620) 4.755 14.761 ( 0.000 -3.670 2.828) 4.633 14.852 ( 0.000 3.312 1.350) 3.577 14.897 ( 0.000 -2.486 0.257) 2.499 23.997 ( 0.000 -0.048 -0.505) 0.507 24.004 ( 0.000 -0.726 -0.640) 0.968 24.035 ( 0.000 -0.006 0.915) 0.915 24.037 ( 0.000 -0.198 0.815) 0.839 25.348 ( 0.000 1.760 -0.988) 2.018 25.365 ( 0.000 -0.648 -0.620) 0.897 25.441 ( 0.000 0.052 3.172) 3.173 25.520 ( 0.000 -7.522 0.493) 7.539 26.666 ( 0.000 1.449 -1.184) 1.872 26.681 ( 0.000 0.803 -2.106) 2.254 26.807 ( 0.000 1.616 3.994) 4.309 26.850 ( 0.000 -0.480 3.152) 3.188 27.016 ( 0.000 -1.714 -1.833) 2.510 27.027 ( 0.000 -1.362 -1.333) 1.905 28.045 ( 0.000 8.052 -0.456) 8.065 28.157 ( 0.000 -3.608 -3.234) 4.845 ======================= Grid point 92 (38/60) ======================= q-point: ( 0.14 0.44 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 158 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.465 ( 5.671 8.623 -3.556) 10.916 1.574 ( 2.665 -1.439 -5.088) 5.921 1.715 ( 5.421 -1.303 -1.945) 5.905 1.753 ( 6.368 -3.895 -4.045) 8.490 1.954 ( 2.974 10.962 8.433) 14.147 2.095 ( 3.413 -1.520 4.424) 5.791 2.172 ( 3.108 1.995 5.382) 6.528 2.245 ( 4.680 -3.280 2.140) 6.103 2.356 ( 0.122 8.825 -4.787) 10.040 2.507 ( 2.118 -5.537 -3.051) 6.667 2.560 ( 0.382 4.615 -5.001) 6.816 2.623 ( 2.226 -0.292 -2.132) 3.096 2.756 ( 6.677 1.594 1.306) 6.988 2.787 ( 3.349 -1.944 2.302) 4.506 2.876 ( 8.994 2.434 1.903) 9.510 2.931 ( 9.763 -3.486 -0.481) 10.378 3.061 ( 5.279 4.439 -2.364) 7.291 3.155 ( -1.213 -4.302 -3.930) 5.952 3.185 ( -1.620 3.645 2.993) 4.987 3.254 ( 1.163 -4.595 3.105) 5.666 3.551 ( 3.342 4.862 -2.336) 6.345 3.594 ( 3.292 0.669 -6.583) 7.391 3.828 ( 0.684 3.914 1.183) 4.146 3.873 ( 1.076 -0.837 4.815) 5.004 3.972 ( 4.043 0.741 4.755) 6.286 3.993 ( 6.812 0.359 -1.940) 7.092 4.234 ( -1.945 14.338 3.277) 14.836 4.317 ( 2.845 5.433 -2.307) 6.553 4.426 ( 4.548 -2.727 -3.088) 6.137 4.528 ( -1.662 -11.800 -2.165) 12.112 4.685 ( -1.973 -0.621 3.738) 4.272 4.724 ( -2.979 -4.152 -1.607) 5.356 4.903 ( 2.723 2.343 -8.087) 8.849 4.935 ( 2.971 -1.106 -6.660) 7.376 5.089 ( 0.508 7.162 1.681) 7.374 5.227 ( -1.705 -6.152 -2.229) 6.762 5.463 ( -4.503 3.008 8.088) 9.734 5.521 ( -4.959 -2.098 5.003) 7.350 5.756 ( -7.353 4.015 -2.693) 8.800 5.829 ( -8.819 -3.172 -3.616) 10.046 6.142 ( -2.675 5.356 -1.859) 6.269 6.159 ( -2.817 4.503 -0.837) 5.377 6.265 ( -1.746 5.890 3.872) 7.262 6.325 ( -4.377 0.187 4.417) 6.221 6.516 ( 8.501 10.372 -0.563) 13.423 6.598 ( 9.271 5.678 -0.751) 10.897 6.700 ( 5.503 1.865 5.124) 7.747 7.014 ( 6.041 -19.950 -1.616) 20.907 9.918 ( 4.571 3.359 0.614) 5.706 9.985 ( 3.486 -3.109 -0.539) 4.702 10.141 ( 1.922 0.420 -0.335) 1.995 10.199 ( 2.202 -5.115 -1.444) 5.753 10.713 ( 1.367 7.876 1.413) 8.117 10.810 ( 2.196 -0.780 0.255) 2.344 10.882 ( -1.231 7.104 0.044) 7.210 11.005 ( -2.276 -4.429 -1.299) 5.146 13.630 ( 1.573 0.827 -0.631) 1.886 13.647 ( 1.382 -0.729 -1.469) 2.144 13.928 ( -1.717 0.598 2.322) 2.949 13.959 ( -1.913 -2.523 0.761) 3.256 14.201 ( -4.441 2.328 -0.449) 5.035 14.236 ( -3.647 -0.914 -1.608) 4.089 14.413 ( -7.997 5.731 -0.373) 9.845 14.499 ( -5.386 -2.194 -3.269) 6.671 14.711 ( -0.820 -0.224 2.751) 2.879 14.729 ( -2.170 -1.779 2.347) 3.658 14.851 ( -0.320 2.185 0.496) 2.263 14.868 ( -2.572 -0.465 0.033) 2.614 24.010 ( 1.265 0.027 -0.398) 1.326 24.018 ( 1.324 -0.694 -0.581) 1.604 24.046 ( 1.026 0.005 0.854) 1.335 24.049 ( 1.124 -0.288 0.755) 1.384 25.356 ( 0.773 1.799 -0.755) 2.099 25.378 ( 1.253 -0.885 -0.611) 1.652 25.439 ( -0.125 -0.015 2.880) 2.883 25.513 ( -0.653 -7.078 0.455) 7.122 26.678 ( 0.639 2.264 -2.262) 3.264 26.691 ( 1.796 1.009 -2.585) 3.305 26.831 ( 2.453 0.551 4.145) 4.848 26.874 ( 2.331 -2.890 4.741) 6.022 27.066 ( 6.385 3.374 -1.752) 7.431 27.140 ( 9.263 -3.860 -2.049) 10.242 27.976 ( -6.905 8.346 -0.121) 10.833 28.096 ( -6.063 -4.201 -3.037) 7.976 ======================= Grid point 93 (39/60) ======================= q-point: ( 0.29 0.44 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 158 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.587 ( 6.478 5.055 -3.417) 8.899 1.643 ( 4.266 0.164 -3.451) 5.490 1.796 ( 2.289 -1.675 1.930) 3.431 1.849 ( 1.925 -5.630 1.513) 6.139 2.066 ( 8.767 12.220 3.048) 15.345 2.174 ( 4.585 6.515 0.508) 7.983 2.263 ( 5.510 -3.438 1.598) 6.688 2.329 ( 3.308 -3.660 1.221) 5.083 2.378 ( 2.724 6.886 -5.596) 9.282 2.513 ( -0.835 -2.679 -5.236) 5.941 2.577 ( 1.174 1.170 -4.053) 4.379 2.646 ( -0.615 -3.215 -5.810) 6.669 2.843 ( 2.311 1.107 1.788) 3.124 2.887 ( 5.698 -2.226 0.219) 6.121 2.991 ( 1.274 4.388 -0.208) 4.574 3.054 ( -3.499 -1.105 -0.956) 3.792 3.161 ( 5.050 -0.032 4.035) 6.464 3.192 ( 12.643 -2.411 4.576) 13.660 3.319 ( 13.605 4.594 2.031) 14.502 3.360 ( 10.364 0.242 0.843) 10.401 3.619 ( 0.640 6.030 -5.961) 8.503 3.660 ( 3.112 1.814 -2.936) 4.647 3.818 ( -1.899 0.663 1.879) 2.752 3.875 ( -1.347 -5.032 1.562) 5.438 4.044 ( 4.249 7.489 1.397) 8.723 4.124 ( 6.997 0.116 -4.230) 8.177 4.245 ( 2.528 14.379 4.458) 15.265 4.385 ( 3.882 7.250 -1.682) 8.394 4.510 ( -1.870 -9.493 0.835) 9.711 4.528 ( 5.856 -5.965 -1.246) 8.451 4.634 ( -2.310 -1.184 0.719) 2.694 4.682 ( 0.133 -5.158 -3.602) 6.292 4.988 ( 5.305 2.411 -3.368) 6.730 5.010 ( 5.335 0.719 -2.612) 5.984 5.110 ( 1.907 5.250 0.519) 5.610 5.192 ( -1.377 -2.467 -1.287) 3.105 5.370 ( -4.597 0.560 4.804) 6.673 5.411 ( -6.013 -2.013 4.280) 7.650 5.581 ( -10.788 0.847 -0.621) 10.839 5.619 ( -11.760 -2.562 -1.107) 12.086 6.107 ( -1.054 4.685 -2.042) 5.218 6.118 ( -1.295 4.059 -1.378) 4.478 6.215 ( -3.234 4.376 2.849) 6.142 6.238 ( -4.603 2.391 2.980) 5.982 6.688 ( 8.332 8.702 1.844) 12.188 6.765 ( 6.468 12.868 2.814) 14.675 6.826 ( 8.119 -4.609 0.742) 9.365 7.104 ( 2.444 -17.920 -2.043) 18.201 10.015 ( 5.023 2.181 -0.084) 5.477 10.065 ( 4.645 -2.320 -1.609) 5.436 10.177 ( 1.365 -0.159 1.557) 2.077 10.241 ( 1.457 -5.871 -0.508) 6.070 10.757 ( 3.139 8.337 0.701) 8.936 10.857 ( 1.604 4.060 -1.458) 4.603 10.865 ( 0.460 1.198 -0.465) 1.365 10.952 ( -2.939 -2.109 -1.389) 3.875 13.671 ( 2.698 0.476 -0.115) 2.742 13.682 ( 2.244 -0.534 -0.667) 2.401 13.875 ( -3.840 0.666 3.382) 5.160 13.900 ( -4.213 -1.934 2.016) 5.055 14.102 ( -4.702 2.817 0.641) 5.519 14.156 ( -4.045 -2.275 0.906) 4.728 14.234 ( -9.521 6.081 -0.611) 11.314 14.353 ( -9.175 -5.387 -1.795) 10.790 14.683 ( -0.698 2.419 0.334) 2.540 14.727 ( 0.983 -1.964 -1.050) 2.434 14.814 ( -2.795 1.741 -0.063) 3.293 14.837 ( -1.127 -0.119 -0.819) 1.398 24.039 ( 1.578 0.156 -0.138) 1.592 24.047 ( 1.553 -0.548 -0.368) 1.687 24.066 ( 0.955 -0.066 0.652) 1.158 24.071 ( 0.998 -0.456 0.564) 1.233 25.376 ( 1.215 1.845 -0.182) 2.217 25.406 ( 1.404 -0.768 -0.176) 1.610 25.438 ( 0.100 -0.828 1.854) 2.033 25.498 ( -0.931 -6.041 0.313) 6.121 26.706 ( 2.559 3.787 -1.667) 4.865 26.744 ( 3.601 0.530 -3.214) 4.855 26.877 ( 1.682 -0.197 3.114) 3.544 26.923 ( 2.088 -4.584 3.111) 5.921 27.227 ( 9.675 6.995 -0.254) 11.941 27.345 ( 11.616 -5.132 -2.255) 12.898 27.805 ( -10.266 8.913 0.926) 13.627 27.947 ( -9.003 -5.894 -2.501) 11.048 ======================= Grid point 94 (40/60) ======================= q-point: ( 0.43 0.44 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 158 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.693 ( 4.321 3.654 -1.338) 5.815 1.718 ( 2.556 2.813 -0.593) 3.847 1.806 ( -0.125 -3.935 1.187) 4.112 1.837 ( -2.309 -5.081 1.826) 5.872 2.219 ( 5.652 9.429 0.964) 11.035 2.249 ( 2.248 8.970 0.176) 9.249 2.342 ( 2.431 -0.326 -1.711) 2.991 2.363 ( 0.458 -0.715 -0.638) 1.062 2.448 ( 3.583 3.982 -6.166) 8.168 2.494 ( -1.352 2.730 -6.212) 6.919 2.586 ( 0.139 -4.917 -4.431) 6.621 2.611 ( -2.304 -5.587 -6.022) 8.531 2.881 ( 2.192 2.903 2.720) 4.542 2.937 ( -3.471 2.574 3.128) 5.335 2.971 ( 2.690 -5.602 0.878) 6.276 3.014 ( -1.742 -4.704 -0.040) 5.016 3.313 ( 9.615 6.606 -1.029) 11.711 3.390 ( 6.146 1.143 -1.182) 6.362 3.505 ( 1.608 1.342 0.907) 2.282 3.538 ( -3.179 -1.015 -3.181) 4.610 3.598 ( 9.191 10.498 1.841) 14.074 3.684 ( 0.300 3.319 1.091) 3.507 3.802 ( 0.167 -3.543 4.836) 5.997 3.834 ( -3.005 -5.205 2.384) 6.466 4.132 ( 4.737 11.617 1.078) 12.592 4.218 ( -2.639 10.542 0.909) 10.905 4.274 ( 5.689 -0.676 -3.616) 6.775 4.403 ( -6.862 -4.587 -3.364) 8.913 4.499 ( 6.387 6.217 -1.314) 9.009 4.583 ( -1.716 3.363 -2.022) 4.283 4.670 ( 4.830 -10.148 0.852) 11.271 4.709 ( 0.818 -9.186 -0.707) 9.249 5.081 ( 4.400 6.765 0.603) 8.093 5.125 ( 3.452 4.812 -0.297) 5.929 5.151 ( 3.254 5.019 2.045) 6.321 5.211 ( 3.691 -1.904 -0.307) 4.164 5.296 ( -5.169 -0.399 1.788) 5.484 5.313 ( -1.718 -3.442 0.347) 3.862 5.372 ( -8.335 -2.395 1.733) 8.844 5.421 ( -8.751 -4.710 -0.629) 9.958 6.106 ( 1.038 4.346 -0.546) 4.501 6.112 ( 0.716 3.914 -0.420) 4.001 6.154 ( -2.800 3.570 1.246) 4.705 6.158 ( -3.425 2.969 1.322) 4.722 6.807 ( 3.890 9.842 2.966) 10.990 6.833 ( 1.087 12.532 3.352) 13.018 6.984 ( 7.570 -8.589 -1.112) 11.503 7.093 ( -3.468 -13.361 -1.758) 13.915 10.099 ( 3.716 2.014 0.087) 4.227 10.138 ( 1.239 0.893 -0.783) 1.716 10.190 ( 1.374 -4.516 0.783) 4.785 10.237 ( -1.895 -6.373 -0.421) 6.662 10.821 ( 3.243 7.121 -0.257) 7.829 10.861 ( -0.421 5.337 -1.147) 5.475 10.892 ( 0.679 0.585 -1.528) 1.771 10.905 ( -1.496 0.532 -1.276) 2.037 13.728 ( 3.052 0.115 0.978) 3.207 13.732 ( 3.236 -0.206 0.864) 3.355 13.795 ( -3.952 0.396 2.977) 4.964 13.811 ( -4.688 -1.172 2.462) 5.423 14.048 ( -0.637 3.116 0.380) 3.203 14.089 ( -5.035 4.848 -0.018) 6.990 14.119 ( 0.669 -3.975 1.000) 4.154 14.191 ( -6.765 -5.438 -0.117) 8.680 14.695 ( 1.714 4.571 -0.898) 4.963 14.733 ( -1.394 3.587 -2.020) 4.347 14.783 ( 0.449 -2.616 -0.920) 2.809 14.810 ( -1.638 -2.394 -1.674) 3.349 24.064 ( 0.948 0.270 0.167) 1.000 24.069 ( 0.584 0.064 0.119) 0.600 24.078 ( 0.348 -0.584 0.216) 0.714 24.082 ( 0.127 -0.670 0.248) 0.726 25.399 ( 1.122 1.764 0.568) 2.166 25.415 ( -0.438 1.396 1.121) 1.844 25.453 ( 1.357 -3.737 -0.020) 3.976 25.478 ( -1.187 -4.915 0.045) 5.056 26.769 ( 3.656 5.076 -0.598) 6.284 26.806 ( 1.345 3.919 -1.429) 4.383 26.891 ( 0.967 -4.135 0.236) 4.253 26.930 ( -1.538 -5.737 -0.133) 5.941 27.411 ( 9.422 9.795 1.173) 13.642 27.542 ( 4.392 1.952 -2.412) 5.378 27.629 ( -3.531 1.273 2.267) 4.385 27.770 ( -9.514 -7.715 -1.702) 12.367 ======================= Grid point 126 (41/60) ======================= q-point: ( 0.00 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.690 ( 0.000 0.000 17.445) 17.445 1.001 ( 0.000 0.000 -14.018) 14.018 1.006 ( 0.000 0.000 21.577) 21.577 1.305 ( 0.000 0.000 -1.279) 1.279 1.576 ( 0.000 0.000 9.752) 9.752 1.814 ( 0.000 0.000 -9.722) 9.722 2.013 ( 0.000 0.000 1.822) 1.822 2.039 ( 0.000 0.000 -0.384) 0.384 2.112 ( 0.000 0.000 8.878) 8.878 2.240 ( 0.000 0.000 -2.576) 2.576 2.488 ( 0.000 0.000 3.572) 3.572 2.537 ( 0.000 0.000 -0.828) 0.828 2.660 ( 0.000 0.000 10.327) 10.327 2.693 ( 0.000 0.000 6.318) 6.318 2.724 ( 0.000 0.000 1.048) 1.048 2.819 ( 0.000 0.000 -5.314) 5.314 2.824 ( 0.000 0.000 8.960) 8.960 2.995 ( 0.000 0.000 7.490) 7.490 3.066 ( 0.000 0.000 -14.824) 14.824 3.260 ( 0.000 0.000 -15.230) 15.230 3.282 ( 0.000 0.000 1.449) 1.449 3.327 ( 0.000 0.000 -2.908) 2.908 3.432 ( 0.000 0.000 7.724) 7.724 3.440 ( 0.000 0.000 17.908) 17.908 3.621 ( 0.000 0.000 -11.520) 11.520 3.669 ( 0.000 0.000 -5.310) 5.310 3.885 ( 0.000 0.000 3.187) 3.187 4.064 ( 0.000 0.000 -14.172) 14.172 4.495 ( 0.000 0.000 5.556) 5.556 4.594 ( 0.000 0.000 -3.684) 3.684 4.736 ( 0.000 0.000 1.520) 1.520 4.768 ( 0.000 0.000 -1.530) 1.530 4.792 ( 0.000 0.000 8.529) 8.529 4.844 ( 0.000 0.000 7.988) 7.988 4.959 ( 0.000 0.000 -6.225) 6.225 5.020 ( 0.000 0.000 -10.145) 10.145 5.085 ( 0.000 0.000 -0.466) 0.466 5.116 ( 0.000 0.000 -3.543) 3.543 5.540 ( 0.000 0.000 6.653) 6.653 5.548 ( 0.000 0.000 -0.026) 0.026 5.578 ( 0.000 0.000 -3.548) 3.548 5.655 ( 0.000 0.000 -5.041) 5.041 5.978 ( 0.000 0.000 2.667) 2.667 6.021 ( 0.000 0.000 -1.587) 1.587 6.443 ( 0.000 0.000 9.340) 9.340 6.648 ( 0.000 0.000 -11.211) 11.211 7.692 ( 0.000 0.000 15.872) 15.872 7.973 ( 0.000 0.000 -12.412) 12.412 9.837 ( 0.000 0.000 1.376) 1.376 9.863 ( 0.000 0.000 -1.277) 1.277 10.027 ( 0.000 0.000 5.502) 5.502 10.145 ( 0.000 0.000 -6.379) 6.379 10.331 ( 0.000 0.000 1.640) 1.640 10.361 ( 0.000 0.000 -1.377) 1.377 10.882 ( 0.000 0.000 10.614) 10.614 11.067 ( 0.000 0.000 -7.845) 7.845 13.838 ( 0.000 0.000 1.258) 1.258 13.864 ( 0.000 0.000 -1.338) 1.338 13.906 ( 0.000 0.000 2.063) 2.063 13.956 ( 0.000 0.000 -2.885) 2.885 14.152 ( 0.000 0.000 1.286) 1.286 14.176 ( 0.000 0.000 -1.130) 1.130 14.227 ( 0.000 0.000 1.236) 1.236 14.241 ( 0.000 0.000 -0.018) 0.018 14.326 ( 0.000 0.000 0.872) 0.872 14.382 ( 0.000 0.000 -5.102) 5.102 15.142 ( 0.000 0.000 6.024) 6.024 15.233 ( 0.000 0.000 -3.223) 3.223 24.051 ( 0.000 0.000 1.209) 1.209 24.062 ( 0.000 0.000 1.247) 1.247 24.080 ( 0.000 0.000 -1.052) 1.052 24.096 ( 0.000 0.000 -1.471) 1.471 25.378 ( 0.000 0.000 3.453) 3.453 25.445 ( 0.000 0.000 -3.246) 3.246 26.321 ( 0.000 0.000 0.326) 0.326 26.328 ( 0.000 0.000 -0.345) 0.345 26.403 ( 0.000 0.000 0.233) 0.233 26.408 ( 0.000 0.000 -0.226) 0.226 26.756 ( 0.000 0.000 3.117) 3.117 26.821 ( 0.000 0.000 -3.363) 3.363 27.077 ( 0.000 0.000 3.680) 3.680 27.149 ( 0.000 0.000 -3.572) 3.572 27.419 ( 0.000 0.000 0.787) 0.787 27.436 ( 0.000 0.000 -0.793) 0.793 ======================= Grid point 127 (42/60) ======================= q-point: ( 0.14 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.873 ( 16.559 0.000 13.414) 21.310 1.057 ( 6.678 0.000 20.797) 21.843 1.117 ( 11.093 0.000 -10.725) 15.429 1.412 ( 6.470 0.000 -13.950) 15.377 1.786 ( 19.674 0.000 11.327) 22.702 1.933 ( 9.728 0.000 -5.192) 11.027 1.974 ( -2.982 0.000 3.355) 4.488 2.028 ( -1.486 0.000 -1.979) 2.474 2.130 ( 3.145 0.000 10.389) 10.855 2.286 ( 5.506 0.000 -3.455) 6.500 2.477 ( -1.419 0.000 3.930) 4.178 2.522 ( -1.440 0.000 -0.129) 1.445 2.672 ( -0.139 0.000 4.445) 4.447 2.718 ( -0.757 0.000 0.505) 0.910 2.725 ( 3.017 0.000 5.659) 6.413 2.789 ( -1.051 0.000 2.582) 2.788 2.920 ( 5.808 0.000 1.279) 5.947 3.018 ( 3.377 0.000 12.249) 12.706 3.081 ( 2.896 0.000 -9.322) 9.762 3.281 ( 1.616 0.000 -6.355) 6.558 3.299 ( 1.475 0.000 2.507) 2.909 3.344 ( 2.201 0.000 -1.166) 2.491 3.468 ( 5.106 0.000 1.620) 5.357 3.496 ( 5.893 0.000 9.136) 10.872 3.605 ( -1.726 0.000 -9.984) 10.132 3.705 ( 3.558 0.000 -6.450) 7.366 3.893 ( 0.716 0.000 3.336) 3.412 4.069 ( 0.370 0.000 -13.503) 13.508 4.464 ( -2.745 0.000 2.975) 4.047 4.525 ( -7.027 0.000 -2.959) 7.625 4.721 ( -3.160 0.000 6.496) 7.224 4.726 ( -0.977 0.000 0.826) 1.279 4.747 ( -2.046 0.000 -1.250) 2.398 4.829 ( -2.760 0.000 -1.643) 3.212 4.972 ( 0.672 0.000 5.465) 5.506 5.085 ( 0.015 0.000 -0.314) 0.314 5.108 ( 8.017 0.000 -5.722) 9.850 5.112 ( -0.303 0.000 -2.967) 2.982 5.532 ( -0.796 0.000 5.988) 6.040 5.593 ( 0.807 0.000 0.606) 1.009 5.631 ( 5.163 0.000 -1.727) 5.444 5.637 ( -1.860 0.000 -4.618) 4.978 5.751 ( -12.198 0.000 6.891) 14.010 5.892 ( -11.898 0.000 -7.003) 13.806 6.606 ( 11.496 0.000 8.737) 14.439 6.796 ( 12.644 0.000 -10.026) 16.137 7.629 ( -5.749 0.000 17.749) 18.657 7.980 ( -1.419 0.000 -18.353) 18.407 9.857 ( 2.122 0.000 1.366) 2.523 9.884 ( 2.085 0.000 -1.256) 2.434 10.104 ( 6.880 0.000 5.842) 9.025 10.223 ( 6.669 0.000 -5.984) 8.960 10.306 ( -2.494 0.000 1.585) 2.955 10.336 ( -2.590 0.000 -1.338) 2.915 10.899 ( 1.146 0.000 10.134) 10.198 11.074 ( 0.592 0.000 -7.470) 7.494 13.825 ( -5.685 0.000 2.980) 6.419 13.847 ( 0.924 0.000 1.124) 1.454 13.870 ( 0.635 0.000 -1.191) 1.350 13.891 ( -5.251 0.000 -3.545) 6.336 14.138 ( -4.706 0.000 4.631) 6.603 14.146 ( -0.574 0.000 1.170) 1.303 14.168 ( -0.801 0.000 -1.028) 1.304 14.195 ( -3.591 0.000 -1.569) 3.919 14.438 ( 6.419 0.000 0.285) 6.426 14.514 ( 9.288 0.000 -8.083) 12.312 15.028 ( -10.309 0.000 6.853) 12.379 15.137 ( -9.151 0.000 -4.215) 10.075 24.058 ( 0.759 0.000 1.181) 1.404 24.076 ( 0.872 0.000 0.150) 0.885 24.086 ( 0.876 0.000 0.090) 0.881 24.105 ( 1.110 0.000 -1.096) 1.560 25.399 ( 2.278 0.000 3.875) 4.495 25.474 ( 2.998 0.000 -3.563) 4.657 26.325 ( 0.365 0.000 0.323) 0.488 26.332 ( 0.358 0.000 -0.342) 0.495 26.399 ( -0.466 0.000 0.243) 0.526 26.404 ( -0.448 0.000 -0.236) 0.506 26.411 ( -19.862 0.000 14.545) 24.619 26.632 ( -14.243 0.000 -8.779) 16.731 27.253 ( 7.144 0.000 4.847) 8.633 27.343 ( 12.703 0.000 -2.733) 12.994 27.463 ( 4.783 0.000 5.822) 7.534 27.672 ( 18.909 0.000 -15.400) 24.387 ======================= Grid point 128 (43/60) ======================= q-point: ( 0.29 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.221 ( 18.153 0.000 9.060) 20.289 1.251 ( 12.674 0.000 13.574) 18.571 1.366 ( 13.488 0.000 -4.476) 14.211 1.524 ( 5.888 0.000 -12.760) 14.053 1.925 ( -1.936 0.000 3.165) 3.710 1.974 ( -1.826 0.000 -0.017) 1.826 1.991 ( -2.068 0.000 -2.993) 3.638 2.019 ( -2.034 0.000 -4.171) 4.640 2.389 ( 19.962 0.000 9.696) 22.192 2.427 ( -3.643 0.000 4.648) 5.906 2.483 ( -3.010 0.000 -1.066) 3.193 2.505 ( 17.087 0.000 -0.819) 17.107 2.643 ( -2.198 0.000 1.410) 2.612 2.679 ( -2.981 0.000 -1.265) 3.238 2.768 ( -0.605 0.000 4.538) 4.578 2.807 ( 5.194 0.000 0.928) 5.276 3.011 ( 4.843 0.000 6.377) 8.008 3.129 ( 7.155 0.000 15.612) 17.174 3.155 ( 2.928 0.000 -4.547) 5.408 3.306 ( 0.799 0.000 5.193) 5.254 3.322 ( 1.497 0.000 7.314) 7.466 3.430 ( 3.349 0.000 -2.680) 4.289 3.564 ( 2.351 0.000 -1.125) 2.606 3.644 ( 8.709 0.000 -1.385) 8.819 3.667 ( 13.346 0.000 -10.975) 17.279 3.793 ( 5.320 0.000 -9.746) 11.104 3.908 ( 0.774 0.000 3.960) 4.035 4.068 ( -0.844 0.000 -11.669) 11.699 4.340 ( -12.013 0.000 3.387) 12.482 4.409 ( -4.334 0.000 -3.445) 5.536 4.684 ( -0.225 0.000 4.454) 4.459 4.696 ( -2.234 0.000 -0.457) 2.280 4.704 ( -1.850 0.000 -1.162) 2.184 4.774 ( -0.845 0.000 -3.867) 3.959 5.041 ( 4.169 0.000 10.088) 10.915 5.086 ( 0.194 0.000 0.525) 0.559 5.111 ( 0.160 0.000 -1.806) 1.813 5.201 ( -0.306 0.000 -3.777) 3.789 5.485 ( -4.566 0.000 6.666) 8.080 5.513 ( -1.053 0.000 4.164) 4.295 5.589 ( -3.028 0.000 -3.434) 4.578 5.658 ( -6.095 0.000 -6.334) 8.790 5.695 ( -0.379 0.000 0.595) 0.705 5.757 ( 2.896 0.000 -3.023) 4.186 6.822 ( 11.476 0.000 11.459) 16.218 7.064 ( 14.988 0.000 -12.071) 19.245 7.487 ( -9.171 0.000 18.367) 20.530 7.878 ( -9.140 0.000 -21.047) 22.946 9.914 ( 3.784 0.000 1.315) 4.006 9.939 ( 3.641 0.000 -1.160) 3.821 10.238 ( 6.495 0.000 6.177) 8.963 10.241 ( -4.154 0.000 1.416) 4.389 10.268 ( -4.369 0.000 -1.226) 4.538 10.347 ( 5.372 0.000 -4.535) 7.031 10.911 ( 0.397 0.000 9.490) 9.498 11.070 ( -1.579 0.000 -6.522) 6.710 13.764 ( -0.177 0.000 2.272) 2.279 13.818 ( -1.444 0.000 -2.907) 3.246 13.870 ( 1.331 0.000 0.765) 1.535 13.885 ( 0.843 0.000 -0.795) 1.159 14.048 ( -5.139 0.000 4.120) 6.586 14.100 ( -6.548 0.000 -1.357) 6.688 14.132 ( -0.756 0.000 0.833) 1.125 14.148 ( -1.193 0.000 -0.731) 1.399 14.547 ( 4.869 0.000 1.486) 5.091 14.647 ( 4.563 0.000 -9.020) 10.108 14.828 ( -9.132 0.000 5.694) 10.761 14.937 ( -10.368 0.000 -5.135) 11.570 24.077 ( 1.082 0.000 0.869) 1.388 24.087 ( 0.549 0.000 0.008) 0.549 24.115 ( 1.651 0.000 0.580) 1.750 24.131 ( 1.272 0.000 -0.986) 1.610 25.465 ( 4.602 0.000 4.888) 6.713 25.554 ( 5.001 0.000 -3.698) 6.220 26.115 ( -11.348 0.000 14.151) 18.139 26.335 ( 0.685 0.000 0.313) 0.753 26.342 ( 0.668 0.000 -0.331) 0.746 26.357 ( -14.107 0.000 -10.258) 17.442 26.386 ( -0.807 0.000 0.265) 0.849 26.392 ( -0.783 0.000 -0.257) 0.825 27.368 ( 5.386 0.000 5.261) 7.529 27.464 ( 2.565 0.000 -2.609) 3.658 27.673 ( 13.376 0.000 8.383) 15.786 27.939 ( 8.152 0.000 -17.368) 19.186 ======================= Grid point 129 (44/60) ======================= q-point: ( 0.43 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.499 ( 12.081 0.000 5.726) 13.369 1.507 ( 10.492 0.000 7.094) 12.666 1.564 ( 5.158 0.000 2.625) 5.788 1.618 ( 1.714 0.000 -4.610) 4.919 1.883 ( -4.393 0.000 -3.384) 5.545 1.908 ( 0.604 0.000 -0.431) 0.742 1.919 ( -6.257 0.000 -5.795) 8.528 1.948 ( -2.648 0.000 -3.438) 4.340 2.368 ( -1.329 0.000 3.078) 3.352 2.403 ( -4.433 0.000 -0.633) 4.478 2.616 ( -0.262 0.000 0.942) 0.978 2.631 ( -1.736 0.000 -0.482) 1.802 2.658 ( 9.022 0.000 7.237) 11.566 2.754 ( -0.892 0.000 7.006) 7.062 2.791 ( 7.797 0.000 -5.718) 9.669 2.860 ( -0.404 0.000 -3.556) 3.579 3.169 ( 9.508 0.000 6.227) 11.366 3.203 ( 3.358 0.000 3.341) 4.737 3.248 ( 4.732 0.000 13.843) 14.630 3.304 ( -1.284 0.000 10.729) 10.805 3.339 ( -0.770 0.000 -0.569) 0.958 3.372 ( -5.604 0.000 -2.336) 6.071 3.741 ( 13.556 0.000 8.138) 15.811 3.792 ( 6.142 0.000 -4.765) 7.774 3.860 ( -0.338 0.000 -9.056) 9.062 3.936 ( 7.826 0.000 -8.031) 11.214 3.944 ( 4.173 0.000 -0.546) 4.208 4.027 ( -3.545 0.000 -8.425) 9.140 4.095 ( -7.771 0.000 5.424) 9.477 4.263 ( -11.178 0.000 -8.805) 14.229 4.665 ( -0.683 0.000 -1.113) 1.306 4.673 ( -1.341 0.000 -1.830) 2.269 4.733 ( 4.533 0.000 2.270) 5.070 4.787 ( 0.164 0.000 -2.704) 2.709 5.074 ( -0.065 0.000 6.959) 6.959 5.097 ( 0.904 0.000 1.112) 1.434 5.111 ( -0.352 0.000 -0.200) 0.405 5.117 ( -4.910 0.000 3.955) 6.305 5.500 ( 3.056 0.000 -1.033) 3.225 5.503 ( 0.376 0.000 1.373) 1.423 5.532 ( -2.552 0.000 -1.486) 2.953 5.553 ( -2.941 0.000 -4.846) 5.668 5.733 ( 2.095 0.000 1.826) 2.779 5.771 ( -1.293 0.000 -1.650) 2.096 7.049 ( 12.272 0.000 13.806) 18.472 7.276 ( -9.869 0.000 11.232) 14.952 7.366 ( 13.788 0.000 -10.013) 17.040 7.651 ( -14.173 0.000 -18.578) 23.367 9.991 ( 3.709 0.000 1.021) 3.847 10.008 ( 2.613 0.000 -0.601) 2.682 10.165 ( -2.832 0.000 0.793) 2.941 10.182 ( -3.982 0.000 -0.878) 4.077 10.345 ( 4.588 0.000 4.887) 6.703 10.398 ( -0.363 0.000 0.004) 0.363 10.938 ( 2.867 0.000 3.676) 4.662 11.012 ( -4.155 0.000 -3.409) 5.374 13.816 ( 5.316 0.000 1.730) 5.591 13.845 ( 3.878 0.000 -1.053) 4.019 13.892 ( 0.830 0.000 0.277) 0.875 13.897 ( 0.259 0.000 -0.266) 0.371 13.940 ( -6.123 0.000 1.908) 6.414 13.955 ( -7.845 0.000 0.156) 7.846 14.122 ( -0.198 0.000 0.317) 0.374 14.128 ( -0.792 0.000 -0.258) 0.833 14.623 ( 3.396 0.000 1.444) 3.690 14.689 ( -2.604 0.000 -2.135) 3.367 14.718 ( 0.446 0.000 -1.913) 1.965 14.781 ( -5.589 0.000 -5.044) 7.528 24.093 ( 0.550 0.000 0.616) 0.826 24.096 ( 0.253 0.000 0.413) 0.485 24.140 ( 0.910 0.000 -0.050) 0.912 24.146 ( 0.277 0.000 -0.661) 0.717 25.564 ( 5.249 0.000 5.503) 7.605 25.623 ( 0.515 0.000 0.781) 0.936 25.995 ( 0.014 0.000 3.920) 3.920 26.114 ( -10.773 0.000 -6.840) 12.761 26.350 ( 0.875 0.000 0.283) 0.919 26.356 ( 0.764 0.000 -0.290) 0.817 26.370 ( -0.839 0.000 0.265) 0.879 26.375 ( -0.906 0.000 -0.267) 0.944 27.453 ( 3.310 0.000 4.156) 5.313 27.487 ( -0.226 0.000 1.788) 1.802 27.889 ( 8.832 0.000 -0.084) 8.832 27.994 ( -1.769 0.000 -9.671) 9.831 ======================= Grid point 133 (45/60) ======================= q-point: ( 0.00 0.11 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 92 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.910 ( 0.000 14.715 14.212) 20.458 1.110 ( 0.000 10.797 12.007) 16.148 1.191 ( 0.000 14.566 -6.143) 15.809 1.373 ( 0.000 8.825 -1.062) 8.889 1.624 ( 0.000 6.240 3.144) 6.987 1.746 ( 0.000 -2.445 -5.420) 5.946 2.023 ( 0.000 -2.260 3.520) 4.183 2.044 ( 0.000 -0.430 0.723) 0.841 2.255 ( 0.000 11.765 7.479) 13.941 2.356 ( 0.000 10.448 -2.215) 10.681 2.466 ( 0.000 -1.717 0.927) 1.951 2.479 ( 0.000 -4.103 -0.265) 4.111 2.714 ( 0.000 -0.120 5.639) 5.640 2.740 ( 0.000 4.261 9.866) 10.747 2.808 ( 0.000 -0.761 -4.021) 4.092 2.844 ( 0.000 5.899 7.244) 9.342 2.848 ( 0.000 11.348 -0.052) 11.348 2.986 ( 0.000 -0.968 6.841) 6.910 3.068 ( 0.000 -0.494 -15.331) 15.339 3.181 ( 0.000 -3.115 -10.399) 10.855 3.335 ( 0.000 4.811 6.113) 7.780 3.411 ( 0.000 -0.311 4.759) 4.769 3.454 ( 0.000 8.553 -5.918) 10.401 3.547 ( 0.000 -5.294 -9.261) 10.667 3.570 ( 0.000 11.118 16.827) 20.168 3.756 ( 0.000 6.597 -3.315) 7.383 4.005 ( 0.000 10.939 -1.783) 11.083 4.158 ( 0.000 8.360 -14.829) 17.023 4.428 ( 0.000 -5.787 5.818) 8.206 4.534 ( 0.000 -4.669 -4.047) 6.179 4.755 ( 0.000 -2.857 7.708) 8.221 4.841 ( 0.000 2.802 6.748) 7.306 4.885 ( 0.000 3.720 -3.165) 4.884 4.946 ( 0.000 15.606 1.156) 15.649 4.974 ( 0.000 7.055 -1.553) 7.224 4.993 ( 0.000 1.438 -9.692) 9.798 5.037 ( 0.000 -4.640 4.498) 6.462 5.175 ( 0.000 2.753 -8.896) 9.312 5.574 ( 0.000 3.940 5.199) 6.524 5.575 ( 0.000 0.107 -1.570) 1.573 5.577 ( 0.000 2.020 0.361) 2.052 5.684 ( 0.000 3.225 -4.569) 5.593 6.010 ( 0.000 3.186 3.186) 4.506 6.072 ( 0.000 4.736 -3.413) 5.838 6.434 ( 0.000 -0.807 7.958) 7.999 6.610 ( 0.000 -3.557 -9.667) 10.301 7.536 ( 0.000 -14.511 14.506) 20.518 7.782 ( 0.000 -16.668 -9.893) 19.383 9.846 ( 0.000 -1.445 2.070) 2.525 9.879 ( 0.000 3.158 -1.216) 3.384 10.103 ( 0.000 7.789 2.318) 8.127 10.160 ( 0.000 2.975 -3.090) 4.290 10.364 ( 0.000 1.910 0.431) 1.958 10.384 ( 0.000 0.950 -1.140) 1.484 10.880 ( 0.000 0.336 10.035) 10.040 11.053 ( 0.000 -0.835 -7.360) 7.407 13.687 ( 0.000 -7.046 0.803) 7.092 13.709 ( 0.000 -6.732 -1.203) 6.838 14.094 ( 0.000 4.924 1.538) 5.158 14.111 ( 0.000 5.474 -0.851) 5.540 14.170 ( 0.000 0.788 0.687) 1.046 14.176 ( 0.000 0.280 0.071) 0.289 14.243 ( 0.000 4.420 1.141) 4.565 14.280 ( 0.000 5.817 -2.946) 6.520 14.357 ( 0.000 3.741 0.522) 3.778 14.393 ( 0.000 2.889 -3.340) 4.416 15.106 ( 0.000 -3.534 5.795) 6.787 15.193 ( 0.000 -3.945 -3.126) 5.034 24.046 ( 0.000 -0.538 1.162) 1.280 24.058 ( 0.000 -0.391 1.287) 1.346 24.071 ( 0.000 -0.850 -1.233) 1.498 24.082 ( 0.000 -1.181 -0.835) 1.446 25.369 ( 0.000 -0.852 3.216) 3.327 25.432 ( 0.000 -1.353 -2.983) 3.275 26.087 ( 0.000 -17.339 6.845) 18.641 26.170 ( 0.000 -13.037 -2.316) 13.241 26.447 ( 0.000 3.730 0.061) 3.730 26.450 ( 0.000 4.378 -0.200) 4.382 26.761 ( 0.000 0.596 3.450) 3.501 26.830 ( 0.000 0.626 -3.429) 3.485 27.140 ( 0.000 0.759 3.445) 3.528 27.215 ( 0.000 2.172 -4.138) 4.674 27.485 ( 0.000 7.199 3.140) 7.854 27.587 ( 0.000 15.161 -8.292) 17.281 ======================= Grid point 134 (46/60) ======================= q-point: ( 0.14 0.11 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 158 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.033 ( 11.229 10.304 12.447) 19.677 1.145 ( 5.852 11.111 14.757) 19.377 1.281 ( 9.053 12.480 -7.286) 17.053 1.472 ( 4.763 6.812 -12.059) 14.646 1.778 ( 14.758 2.338 6.097) 16.138 1.859 ( 9.007 -0.747 -2.506) 9.379 2.027 ( 0.898 -0.787 2.766) 3.013 2.072 ( 1.500 0.690 -1.115) 1.992 2.268 ( 3.410 12.564 9.379) 16.045 2.390 ( 4.672 9.761 -2.451) 11.095 2.471 ( 0.771 -2.863 1.765) 3.450 2.501 ( 1.137 0.284 -1.177) 1.661 2.695 ( -1.964 0.172 4.691) 5.088 2.753 ( -2.658 3.275 -0.160) 4.221 2.781 ( 2.532 2.934 8.097) 8.976 2.882 ( 2.112 10.449 0.681) 10.682 2.937 ( 6.592 3.479 3.403) 8.193 3.028 ( 4.527 1.198 6.440) 7.962 3.069 ( 1.709 -0.653 -7.249) 7.476 3.224 ( 3.075 -3.010 -6.994) 8.212 3.329 ( -0.184 2.118 7.390) 7.689 3.446 ( 4.499 1.318 -1.199) 4.839 3.447 ( 0.027 5.627 -0.847) 5.691 3.520 ( -0.162 -1.086 -7.055) 7.140 3.624 ( 3.878 7.191 7.862) 11.338 3.794 ( 3.707 6.984 -4.176) 8.942 4.002 ( -0.148 9.903 -0.145) 9.906 4.164 ( 0.318 8.274 -14.019) 16.282 4.415 ( -1.849 -5.114 3.839) 6.657 4.488 ( -5.373 -3.021 -3.322) 7.003 4.664 ( -5.685 -1.213 5.679) 8.127 4.776 ( -7.058 0.055 -4.315) 8.273 4.864 ( 2.618 3.182 6.156) 7.408 4.920 ( -0.094 9.856 1.260) 9.937 4.999 ( 0.103 9.917 1.296) 10.001 5.022 ( 1.925 -1.264 -2.773) 3.604 5.137 ( 4.335 2.993 -1.477) 5.470 5.190 ( 3.379 2.606 -6.297) 7.606 5.559 ( -1.061 2.253 5.035) 5.617 5.602 ( 2.221 0.482 1.919) 2.974 5.626 ( 2.317 0.280 -2.036) 3.098 5.679 ( 0.032 4.011 -3.376) 5.242 5.816 ( -12.952 6.673 4.818) 15.346 5.928 ( -12.322 4.085 -6.155) 14.367 6.577 ( 10.415 -2.813 7.949) 13.401 6.748 ( 11.765 -4.597 -8.867) 15.432 7.489 ( -4.253 -13.074 16.985) 21.852 7.814 ( 0.749 -14.862 -16.158) 21.966 9.899 ( 4.683 0.947 1.189) 4.924 9.916 ( 3.610 4.151 -0.505) 5.524 10.135 ( 3.255 4.891 3.143) 6.663 10.195 ( 2.992 0.582 -2.409) 3.885 10.374 ( -0.073 3.043 -0.140) 3.047 10.388 ( 1.024 4.140 -1.617) 4.561 10.873 ( -0.726 -1.643 10.156) 10.314 11.047 ( -0.808 -2.307 -7.313) 7.711 13.694 ( 0.857 -5.648 0.854) 5.776 13.718 ( 1.011 -5.965 -1.343) 6.197 14.023 ( -6.647 6.841 0.743) 9.567 14.041 ( -6.079 6.344 -0.985) 8.842 14.125 ( -4.312 -1.478 4.285) 6.256 14.155 ( -1.836 -0.665 0.399) 1.993 14.190 ( -1.264 4.693 -0.298) 4.870 14.208 ( -2.232 2.001 -1.697) 3.445 14.480 ( 6.202 4.479 -0.206) 7.653 14.532 ( 9.227 2.429 -5.941) 11.240 14.998 ( -9.809 -2.925 6.317) 12.028 15.099 ( -8.959 -3.710 -3.946) 10.469 24.053 ( 0.807 -0.438 1.101) 1.434 24.073 ( 0.390 -0.514 -0.592) 0.875 24.076 ( 1.423 -0.763 0.935) 1.866 24.095 ( 1.293 -0.935 -0.902) 1.833 25.389 ( 2.102 -0.967 3.583) 4.265 25.458 ( 2.717 -1.569 -3.239) 4.509 26.032 ( -5.261 -16.153 8.542) 19.015 26.140 ( -3.104 -13.925 -3.211) 14.624 26.440 ( -0.548 3.734 0.139) 3.777 26.445 ( -0.432 4.336 -0.425) 4.378 26.656 ( -6.644 10.700 5.176) 13.618 26.764 ( -5.553 8.413 -5.453) 11.461 27.224 ( 5.841 -3.002 4.759) 8.110 27.325 ( 8.384 -2.734 -4.948) 10.112 27.509 ( 3.970 5.646 8.607) 11.033 27.737 ( 11.798 6.181 -15.240) 20.240 ======================= Grid point 135 (47/60) ======================= q-point: ( 0.29 0.11 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 158 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.259 ( 11.969 3.056 9.793) 15.764 1.345 ( 12.919 9.211 7.292) 17.462 1.488 ( 11.288 8.600 -4.650) 14.934 1.554 ( 4.804 5.723 -6.441) 9.865 1.938 ( -0.938 0.672 -0.623) 1.311 1.957 ( 2.738 3.663 -1.609) 4.848 2.051 ( -1.183 1.744 -1.344) 2.500 2.067 ( -1.416 2.377 -1.711) 3.253 2.434 ( 7.683 2.059 7.066) 10.640 2.496 ( -1.251 4.669 0.574) 4.868 2.509 ( 4.858 4.109 1.916) 6.645 2.567 ( 9.924 4.382 -2.472) 11.127 2.668 ( 2.066 2.179 1.761) 3.481 2.696 ( -0.555 4.159 -0.539) 4.230 2.855 ( 1.466 7.218 6.345) 9.722 2.905 ( 4.044 9.182 2.071) 10.245 3.036 ( 3.808 2.874 3.776) 6.085 3.102 ( 3.791 -0.044 2.544) 4.566 3.168 ( 4.760 -0.215 6.960) 8.435 3.239 ( 0.507 -2.360 2.807) 3.702 3.395 ( 3.754 1.058 5.274) 6.559 3.442 ( 2.540 1.598 -0.839) 3.116 3.547 ( 2.924 2.440 0.234) 3.815 3.627 ( 12.605 -0.052 -8.780) 15.361 3.725 ( 6.979 5.516 -0.170) 8.897 3.876 ( 4.007 6.651 -8.014) 11.158 4.004 ( 0.314 8.241 2.591) 8.645 4.155 ( -1.982 7.031 -10.778) 13.021 4.312 ( -9.363 -2.748 2.871) 10.172 4.374 ( -4.915 -2.514 -3.192) 6.377 4.610 ( -0.107 0.160 3.462) 3.468 4.694 ( -1.376 0.990 -4.331) 4.650 4.900 ( 0.372 7.449 2.450) 7.851 4.929 ( 0.049 12.325 -0.266) 12.328 4.981 ( 0.104 1.038 4.102) 4.233 5.052 ( -0.248 0.951 -2.439) 2.630 5.198 ( 4.331 5.823 2.874) 7.806 5.293 ( 5.283 3.776 -5.664) 8.617 5.525 ( -6.096 2.973 4.890) 8.361 5.542 ( -3.972 3.916 4.116) 6.932 5.617 ( -2.729 2.769 -1.321) 4.106 5.659 ( -0.990 0.489 0.462) 1.197 5.696 ( -7.414 1.493 -3.125) 8.183 5.758 ( 1.128 1.489 -4.430) 4.807 6.778 ( 10.766 -4.275 10.647) 15.733 7.000 ( 14.214 -6.160 -10.774) 18.870 7.377 ( -7.593 -10.141 17.755) 21.812 7.752 ( -7.438 -11.699 -19.563) 23.976 9.991 ( 4.980 6.206 1.023) 8.023 10.010 ( 5.609 5.793 -0.813) 8.105 10.206 ( 3.341 0.329 3.091) 4.564 10.241 ( 0.919 0.660 -0.684) 1.322 10.357 ( -1.336 6.042 1.578) 6.386 10.408 ( 0.668 5.318 -2.990) 6.138 10.857 ( -0.523 -4.630 9.205) 10.317 11.015 ( -2.702 -5.081 -6.566) 8.731 13.725 ( 2.605 -2.774 0.985) 3.931 13.749 ( 2.373 -3.863 -1.313) 4.720 13.920 ( -3.584 2.386 1.109) 4.446 13.938 ( -3.817 3.678 -0.688) 5.345 14.046 ( -4.529 -0.587 3.249) 5.605 14.084 ( -5.467 -0.926 -0.874) 5.613 14.168 ( -0.879 2.361 0.338) 2.542 14.181 ( -1.262 4.149 -0.622) 4.381 14.581 ( 4.152 3.277 1.294) 5.445 14.661 ( 4.296 1.402 -6.931) 8.274 14.807 ( -8.570 -1.926 4.730) 9.976 14.904 ( -10.156 -3.303 -4.650) 11.648 24.073 ( 1.101 -0.354 0.815) 1.415 24.083 ( 0.618 -0.442 0.015) 0.760 24.107 ( 1.651 -0.677 0.613) 1.886 24.122 ( 1.317 -0.810 -0.889) 1.784 25.448 ( 4.050 -1.580 4.461) 6.229 25.528 ( 4.292 -2.414 -3.239) 5.894 25.920 ( -5.638 -12.473 8.828) 16.288 26.055 ( -5.696 -14.189 -4.826) 16.033 26.432 ( -0.271 4.289 0.117) 4.299 26.437 ( -0.353 5.185 -0.475) 5.219 26.568 ( -2.766 14.509 3.772) 15.244 26.655 ( -5.327 15.407 -4.914) 17.027 27.329 ( 5.063 -3.890 5.206) 8.238 27.426 ( 2.387 -3.647 -3.111) 5.355 27.669 ( 11.204 -0.132 8.676) 14.171 27.920 ( 6.178 -1.540 -15.760) 16.997 ======================= Grid point 136 (48/60) ======================= q-point: ( 0.43 0.11 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 158 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.479 ( 9.996 0.133 4.460) 10.947 1.541 ( 5.590 0.903 1.326) 5.816 1.637 ( 3.102 6.331 2.205) 7.387 1.656 ( 4.139 7.103 -0.478) 8.235 1.887 ( -1.726 1.870 -1.758) 3.093 1.940 ( -5.109 2.877 -5.506) 8.044 2.002 ( 0.771 6.899 -0.708) 6.978 2.040 ( -2.192 5.597 -3.223) 6.820 2.460 ( -0.920 7.420 2.602) 7.917 2.469 ( -1.232 5.751 1.392) 6.044 2.565 ( 0.590 -3.406 1.464) 3.754 2.587 ( -1.568 -2.932 -0.344) 3.343 2.759 ( 5.978 6.726 4.427) 10.029 2.834 ( -0.873 6.643 4.463) 8.050 2.862 ( 6.474 7.006 -2.734) 9.924 2.947 ( -2.039 7.631 -3.796) 8.764 3.163 ( 4.137 -2.370 4.699) 6.694 3.185 ( 8.292 2.503 3.941) 9.516 3.210 ( 0.581 -2.824 5.150) 5.903 3.263 ( -0.098 -1.285 1.105) 1.698 3.424 ( 1.702 5.777 6.666) 8.983 3.467 ( -1.922 7.879 5.280) 9.677 3.687 ( 11.277 -2.589 7.871) 13.994 3.836 ( 4.161 3.909 -0.847) 5.772 3.889 ( 6.728 -2.391 -10.082) 12.355 3.907 ( 3.318 2.925 -8.448) 9.536 3.986 ( -4.990 3.226 0.884) 6.007 4.055 ( -5.834 3.683 -4.799) 8.404 4.197 ( -0.787 6.091 -0.101) 6.142 4.264 ( -6.186 2.684 -5.356) 8.612 4.642 ( 2.714 1.929 -0.127) 3.332 4.683 ( -1.090 2.914 -3.712) 4.843 4.918 ( 2.214 10.311 0.956) 10.590 4.936 ( 1.671 9.115 -0.532) 9.282 4.979 ( -1.468 -0.206 3.173) 3.502 5.004 ( -3.810 0.104 0.794) 3.894 5.280 ( 3.092 10.696 3.721) 11.739 5.323 ( -1.858 12.261 0.907) 12.434 5.460 ( 1.078 -2.657 -0.768) 2.969 5.503 ( -2.966 -1.908 -3.102) 4.696 5.558 ( -0.586 3.628 0.600) 3.724 5.581 ( -1.745 3.881 -1.407) 4.481 5.703 ( 1.784 -2.407 1.841) 3.516 5.749 ( -2.207 -1.610 -2.346) 3.600 6.989 ( 11.394 -5.693 13.487) 18.551 7.202 ( -10.578 -7.540 15.990) 20.601 7.278 ( 14.838 -7.688 -14.149) 21.897 7.550 ( -13.116 -9.351 -17.744) 23.965 10.089 ( 4.948 8.574 1.184) 9.970 10.110 ( 4.153 9.249 -0.897) 10.178 10.211 ( -2.404 3.085 0.840) 4.001 10.226 ( -2.399 3.722 -0.593) 4.468 10.360 ( 2.254 3.086 3.910) 5.468 10.404 ( -1.434 1.760 0.041) 2.271 10.873 ( 2.527 -6.181 3.338) 7.465 10.945 ( -4.347 -6.450 -3.497) 8.528 13.800 ( 5.128 -1.636 0.911) 5.459 13.809 ( 3.638 -2.678 -0.160) 4.520 13.874 ( -1.836 -1.206 1.558) 2.693 13.898 ( -1.477 0.141 -0.652) 1.621 13.951 ( -4.713 0.541 1.400) 4.946 13.969 ( -5.126 0.961 -0.335) 5.226 14.157 ( -0.278 2.815 0.282) 2.843 14.161 ( -0.711 3.640 -0.073) 3.709 14.636 ( 2.086 0.406 2.136) 3.014 14.689 ( -3.372 -1.750 1.263) 4.004 14.716 ( 1.106 1.719 -5.101) 5.496 14.760 ( -4.241 -1.505 -4.886) 6.642 24.090 ( 0.552 -0.330 0.587) 0.871 24.092 ( 0.270 -0.336 0.397) 0.586 24.132 ( 0.896 -0.741 0.004) 1.162 24.139 ( 0.292 -0.775 -0.583) 1.012 25.533 ( 4.471 -2.776 4.917) 7.202 25.585 ( 0.261 -3.467 0.891) 3.589 25.858 ( 0.459 -10.022 2.238) 10.279 25.936 ( -6.270 -11.739 -4.460) 14.036 26.430 ( 0.053 5.464 0.030) 5.464 26.432 ( -0.193 6.076 -0.228) 6.083 26.544 ( 0.174 14.471 1.052) 14.510 26.574 ( -3.009 15.809 -1.989) 16.215 27.409 ( 3.150 -4.295 4.086) 6.713 27.443 ( -0.436 -4.196 1.596) 4.510 27.863 ( 8.198 -2.598 0.163) 8.601 27.961 ( -1.757 -3.182 -8.850) 9.567 ======================= Grid point 140 (49/60) ======================= q-point: ( 0.00 0.22 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 92 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.124 ( 0.000 8.755 12.467) 15.234 1.336 ( 0.000 9.134 -4.238) 10.069 1.440 ( 0.000 12.004 5.115) 13.048 1.592 ( 0.000 10.087 -4.395) 11.003 1.794 ( 0.000 6.350 0.762) 6.396 1.816 ( 0.000 12.432 -1.622) 12.537 1.978 ( 0.000 -1.092 2.035) 2.309 2.010 ( 0.000 -1.359 -0.304) 1.393 2.374 ( 0.000 -1.009 1.488) 1.798 2.421 ( 0.000 -0.800 -3.591) 3.679 2.485 ( 0.000 3.852 7.261) 8.220 2.546 ( 0.000 5.526 -0.613) 5.560 2.696 ( 0.000 0.111 6.275) 6.276 2.801 ( 0.000 3.487 8.989) 9.641 2.804 ( 0.000 0.426 -3.354) 3.381 2.955 ( 0.000 1.488 3.642) 3.934 2.982 ( 0.000 -4.697 -5.743) 7.419 3.000 ( 0.000 3.612 9.362) 10.035 3.085 ( 0.000 7.497 -11.559) 13.777 3.214 ( 0.000 5.509 -9.690) 11.146 3.430 ( 0.000 4.496 0.422) 4.515 3.442 ( 0.000 -3.950 -2.980) 4.948 3.485 ( 0.000 8.714 8.056) 11.867 3.624 ( 0.000 8.036 -5.712) 9.859 3.797 ( 0.000 11.540 13.010) 17.390 3.889 ( 0.000 7.075 1.198) 7.176 4.245 ( 0.000 12.484 -6.686) 14.161 4.284 ( 0.000 -3.309 1.159) 3.507 4.363 ( 0.000 6.974 -5.732) 9.028 4.431 ( 0.000 -5.726 -3.165) 6.542 4.662 ( 0.000 -6.781 6.261) 9.230 4.812 ( 0.000 -6.155 -8.466) 10.467 4.855 ( 0.000 -2.879 4.076) 4.990 4.978 ( 0.000 2.521 10.320) 10.623 4.986 ( 0.000 -3.701 -7.984) 8.800 5.188 ( 0.000 3.006 -9.660) 10.117 5.355 ( 0.000 23.563 -0.528) 23.569 5.362 ( 0.000 23.222 -1.596) 23.277 5.587 ( 0.000 1.119 1.367) 1.767 5.616 ( 0.000 2.063 1.103) 2.340 5.669 ( 0.000 5.894 4.947) 7.695 5.778 ( 0.000 5.844 -4.505) 7.379 6.095 ( 0.000 5.512 3.827) 6.711 6.171 ( 0.000 4.766 -3.777) 6.081 6.418 ( 0.000 -0.688 4.994) 5.041 6.531 ( 0.000 -4.160 -6.010) 7.309 7.222 ( 0.000 -16.192 13.160) 20.866 7.451 ( 0.000 -16.261 -9.617) 18.892 9.828 ( 0.000 -0.134 3.695) 3.697 9.914 ( 0.000 0.583 -4.856) 4.890 10.252 ( 0.000 2.285 2.721) 3.553 10.286 ( 0.000 7.866 -0.767) 7.903 10.374 ( 0.000 0.526 0.479) 0.711 10.400 ( 0.000 5.342 -2.226) 5.788 10.908 ( 0.000 2.255 8.102) 8.410 11.047 ( 0.000 0.083 -5.802) 5.802 13.603 ( 0.000 -2.061 -0.320) 2.086 13.617 ( 0.000 -2.900 -1.306) 3.181 14.105 ( 0.000 -2.930 3.856) 4.843 14.112 ( 0.000 -2.753 1.457) 3.114 14.165 ( 0.000 0.854 -3.037) 3.155 14.167 ( 0.000 -0.089 -2.007) 2.009 14.362 ( 0.000 2.769 -0.777) 2.876 14.364 ( 0.000 4.742 -0.749) 4.800 14.515 ( 0.000 11.630 2.595) 11.916 14.562 ( 0.000 11.608 -2.215) 11.818 15.018 ( 0.000 -5.315 4.747) 7.126 15.092 ( 0.000 -6.301 -2.672) 6.844 24.029 ( 0.000 -1.192 0.779) 1.424 24.041 ( 0.000 -1.388 -0.027) 1.388 24.058 ( 0.000 -0.413 -0.114) 0.428 24.061 ( 0.000 -0.759 -0.006) 0.759 25.349 ( 0.000 -1.030 2.552) 2.752 25.399 ( 0.000 -1.873 -2.326) 2.986 25.793 ( 0.000 -12.770 7.494) 14.807 25.903 ( 0.000 -13.587 -3.841) 14.120 26.531 ( 0.000 4.538 0.299) 4.548 26.544 ( 0.000 4.654 -1.018) 4.764 26.789 ( 0.000 2.571 3.729) 4.530 26.847 ( 0.000 1.150 -1.942) 2.257 27.102 ( 0.000 -3.526 2.803) 4.504 27.172 ( 0.000 -5.116 -4.141) 6.582 27.696 ( 0.000 12.323 6.008) 13.710 27.861 ( 0.000 11.794 -11.124) 16.212 ======================= Grid point 141 (50/60) ======================= q-point: ( 0.14 0.22 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 158 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.193 ( 6.572 7.623 10.438) 14.500 1.379 ( 4.293 7.698 -4.358) 9.833 1.489 ( 6.152 12.007 6.984) 15.192 1.674 ( 5.675 11.750 -7.440) 15.021 1.884 ( 9.172 5.302 1.360) 10.681 1.921 ( 8.059 6.672 -2.199) 10.691 1.992 ( 1.087 -1.026 3.454) 3.764 2.052 ( 3.285 -1.275 -2.559) 4.355 2.406 ( 2.399 -0.568 2.287) 3.362 2.454 ( 3.883 2.487 -1.470) 4.840 2.515 ( 2.613 1.026 3.668) 4.619 2.572 ( 3.645 6.165 -1.325) 7.283 2.694 ( 0.177 1.967 5.468) 5.814 2.785 ( -1.669 1.061 -2.583) 3.253 2.853 ( 5.253 3.794 9.245) 11.290 2.996 ( 2.610 0.095 1.972) 3.273 3.042 ( 5.244 -1.177 0.523) 5.399 3.064 ( 7.719 1.628 2.135) 8.173 3.105 ( 1.432 8.272 -4.375) 9.467 3.233 ( 1.214 5.149 -5.811) 7.858 3.369 ( -3.338 1.654 2.551) 4.515 3.446 ( 1.157 0.349 -5.944) 6.066 3.536 ( 3.963 7.914 4.052) 9.734 3.640 ( 1.700 9.313 -4.401) 10.440 3.807 ( 1.567 10.346 10.527) 14.843 3.930 ( 3.758 6.947 1.005) 7.962 4.220 ( -2.355 10.948 -5.766) 12.596 4.278 ( -1.461 -3.782 0.908) 4.155 4.332 ( -2.255 2.484 -2.599) 4.243 4.436 ( -1.569 -0.268 -5.658) 5.878 4.637 ( -0.770 -2.597 4.470) 5.227 4.747 ( -3.643 -2.672 -4.810) 6.599 4.874 ( 2.117 -0.458 4.151) 4.682 4.977 ( 2.138 -1.414 -1.837) 3.153 5.011 ( 0.265 -0.690 2.858) 2.952 5.201 ( 0.696 0.843 -10.846) 10.901 5.365 ( 0.522 21.648 1.323) 21.695 5.387 ( 1.319 19.958 -0.691) 20.014 5.586 ( 0.240 0.949 0.966) 1.375 5.608 ( -0.688 0.737 2.306) 2.517 5.657 ( -1.549 3.571 3.668) 5.349 5.768 ( -1.462 4.332 -4.957) 6.744 5.985 ( -8.393 10.284 3.475) 13.721 6.056 ( -9.336 8.400 -3.827) 13.129 6.513 ( 8.032 -3.357 6.315) 10.755 6.644 ( 9.808 -5.506 -6.264) 12.874 7.208 ( -1.213 -14.270 15.675) 21.232 7.504 ( 3.017 -15.958 -13.872) 21.358 9.896 ( 6.505 -0.479 3.007) 7.182 9.962 ( 4.693 0.336 -3.577) 5.910 10.269 ( 1.810 3.838 1.677) 4.563 10.288 ( 0.549 7.847 -0.244) 7.870 10.405 ( 2.831 1.550 1.111) 3.413 10.439 ( 3.216 3.597 -2.300) 5.345 10.875 ( -3.227 1.899 7.610) 8.481 11.013 ( -3.539 -0.850 -5.909) 6.940 13.624 ( 2.134 -1.917 -0.122) 2.871 13.638 ( 2.115 -2.516 -1.268) 3.523 14.074 ( -2.687 -2.178 2.366) 4.191 14.087 ( -5.240 -1.509 1.681) 5.706 14.113 ( -3.839 2.203 -0.311) 4.437 14.130 ( -3.383 -0.145 -1.153) 3.577 14.276 ( -4.720 4.446 1.241) 6.602 14.317 ( -2.727 6.065 -2.711) 7.181 14.602 ( 5.064 7.594 0.165) 9.129 14.626 ( 4.886 7.113 -2.078) 8.876 14.924 ( -8.623 -4.502 4.859) 10.874 15.005 ( -8.352 -5.834 -3.199) 10.678 24.040 ( 1.039 -0.997 0.748) 1.623 24.051 ( 0.907 -1.294 -0.135) 1.586 24.069 ( 1.075 -0.315 0.403) 1.191 24.076 ( 1.343 -0.909 -0.373) 1.664 25.366 ( 1.762 -1.180 2.814) 3.523 25.420 ( 2.178 -2.123 -2.481) 3.925 25.764 ( -2.737 -11.639 7.251) 13.983 25.875 ( -2.810 -13.019 -4.016) 13.911 26.523 ( -0.387 4.511 0.436) 4.549 26.541 ( 0.002 4.826 -1.388) 5.021 26.806 ( 1.106 5.766 4.529) 7.415 26.886 ( 2.828 4.449 -3.313) 6.227 27.145 ( 3.986 -4.942 4.016) 7.512 27.240 ( 6.381 -5.404 -5.096) 9.792 27.670 ( -1.803 9.977 8.301) 13.103 27.874 ( 1.233 7.169 -12.523) 14.482 ======================= Grid point 142 (51/60) ======================= q-point: ( 0.29 0.22 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 158 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.349 ( 9.302 5.813 6.108) 12.555 1.479 ( 5.693 3.864 -5.055) 8.538 1.656 ( 9.959 12.049 7.108) 17.172 1.777 ( 4.727 13.362 -3.171) 14.524 1.982 ( -1.599 2.372 2.029) 3.507 2.042 ( 6.163 3.172 -2.627) 7.413 2.059 ( 4.900 -0.310 -1.019) 5.015 2.076 ( -1.474 0.174 -4.202) 4.456 2.424 ( -0.126 -1.284 3.586) 3.811 2.494 ( -1.047 -2.542 -3.529) 4.474 2.615 ( 5.214 1.881 3.970) 6.818 2.639 ( 1.684 4.371 0.831) 4.758 2.766 ( 5.050 5.557 -0.527) 7.527 2.785 ( 6.434 4.506 -2.107) 8.132 3.005 ( 7.758 6.550 5.112) 11.368 3.042 ( 2.069 -1.093 3.127) 3.906 3.093 ( 2.322 6.607 2.562) 7.457 3.156 ( 3.629 -0.845 -0.680) 3.788 3.188 ( 1.273 6.871 2.407) 7.391 3.230 ( -0.393 1.853 -1.278) 2.285 3.394 ( 7.293 1.967 5.050) 9.086 3.506 ( 5.727 5.546 -1.298) 8.077 3.669 ( 9.424 4.808 -2.548) 10.882 3.690 ( 3.286 10.285 -0.340) 10.803 3.863 ( 4.348 8.111 4.870) 10.412 3.997 ( 1.490 5.609 0.071) 5.803 4.159 ( -3.714 4.709 -5.661) 8.247 4.215 ( -5.352 -2.528 -2.284) 6.345 4.276 ( -2.784 3.262 2.760) 5.100 4.399 ( -0.466 4.881 -7.000) 8.547 4.657 ( 2.534 3.375 2.826) 5.079 4.738 ( 2.075 2.757 -4.426) 5.612 4.922 ( 1.973 0.860 4.177) 4.698 4.992 ( -1.535 -0.186 -1.336) 2.043 5.059 ( 4.992 -0.311 3.336) 6.012 5.205 ( -0.279 2.659 -8.345) 8.763 5.361 ( -0.293 9.263 1.791) 9.439 5.387 ( -0.862 9.039 -0.641) 9.102 5.583 ( -2.005 5.005 1.239) 5.532 5.592 ( -3.587 0.680 -0.303) 3.664 5.621 ( 1.189 3.727 3.278) 5.104 5.704 ( -4.048 2.518 -3.747) 6.063 5.855 ( -4.993 14.448 2.392) 15.472 5.902 ( -6.042 11.756 -2.324) 13.421 6.683 ( 9.425 -4.779 8.882) 13.804 6.859 ( 12.248 -7.472 -7.450) 16.166 7.163 ( -3.910 -10.606 15.701) 19.347 7.496 ( -4.365 -13.606 -16.625) 21.922 10.040 ( 7.734 -0.968 1.971) 8.040 10.077 ( 6.868 0.023 -1.641) 7.061 10.308 ( 1.820 7.587 0.738) 7.838 10.319 ( 2.552 6.689 -0.252) 7.164 10.459 ( 2.343 4.187 1.607) 5.060 10.489 ( 1.490 2.937 -0.842) 3.399 10.801 ( -4.007 0.472 5.668) 6.957 10.920 ( -5.857 -3.254 -5.639) 8.757 13.682 ( 3.902 -1.515 0.223) 4.192 13.693 ( 3.549 -1.936 -0.811) 4.123 13.956 ( -6.534 1.298 2.856) 7.248 13.992 ( -5.773 1.153 -0.530) 5.911 14.031 ( -3.899 0.265 1.585) 4.217 14.062 ( -4.236 -1.221 -1.070) 4.536 14.223 ( -1.232 2.812 2.441) 3.922 14.277 ( -1.961 4.984 -2.625) 5.965 14.653 ( -0.611 3.359 1.807) 3.863 14.700 ( 1.715 2.631 -2.908) 4.280 14.771 ( -4.660 -1.251 1.427) 5.032 14.825 ( -8.549 -4.275 -3.356) 10.130 24.063 ( 1.239 -0.694 0.631) 1.554 24.070 ( 1.005 -0.792 0.030) 1.280 24.093 ( 1.355 -0.671 0.489) 1.589 24.103 ( 1.308 -1.041 -0.548) 1.759 25.413 ( 3.030 -1.826 3.427) 4.925 25.474 ( 3.073 -2.961 -2.336) 4.865 25.706 ( -2.926 -9.576 5.876) 11.610 25.807 ( -4.049 -11.524 -4.087) 12.881 26.528 ( 0.891 5.265 0.672) 5.382 26.551 ( 0.977 5.884 -1.718) 6.207 26.814 ( -0.111 10.351 4.512) 11.292 26.910 ( -0.786 10.189 -5.042) 11.396 27.233 ( 4.800 -5.425 5.694) 9.214 27.346 ( 3.007 -3.849 -4.956) 6.958 27.682 ( 4.260 1.926 9.132) 10.259 27.898 ( 0.855 -0.495 -12.247) 12.287 ======================= Grid point 143 (52/60) ======================= q-point: ( 0.43 0.22 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 158 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.520 ( 7.392 3.740 1.979) 8.518 1.570 ( 2.501 2.589 -2.127) 4.181 1.806 ( 4.116 10.450 2.830) 11.583 1.831 ( 0.752 9.733 0.342) 9.768 1.942 ( -0.277 3.019 0.923) 3.169 2.004 ( -4.767 3.147 -2.914) 6.412 2.118 ( 2.094 4.682 -2.448) 5.683 2.125 ( 1.561 4.003 -2.757) 5.105 2.433 ( 1.326 -5.579 2.374) 6.206 2.463 ( -1.655 -5.627 -0.442) 5.881 2.626 ( 0.034 6.523 0.857) 6.579 2.648 ( -1.712 5.169 -1.047) 5.545 2.870 ( 6.022 4.499 4.264) 8.642 2.952 ( 4.427 3.918 -1.821) 6.186 2.983 ( -1.151 4.018 2.962) 5.123 3.071 ( -1.814 2.494 -2.535) 3.992 3.131 ( -0.894 0.616 0.873) 1.393 3.155 ( -1.804 -2.657 0.142) 3.214 3.285 ( 6.601 5.651 -0.075) 8.689 3.302 ( 5.372 7.403 -0.204) 9.149 3.551 ( 7.418 7.032 10.591) 14.719 3.655 ( 2.774 12.151 4.188) 13.149 3.690 ( 3.904 2.343 8.679) 9.801 3.842 ( 1.768 -0.701 -4.960) 5.312 3.940 ( -0.308 6.099 2.244) 6.506 3.982 ( 5.897 4.784 -4.905) 9.040 4.066 ( -7.797 -0.980 -5.201) 9.424 4.096 ( -5.074 5.916 -7.151) 10.578 4.307 ( 4.929 6.471 3.303) 8.779 4.386 ( -2.220 6.897 -3.580) 8.082 4.726 ( 4.275 5.675 0.539) 7.126 4.777 ( 0.321 5.609 -3.957) 6.872 4.932 ( 0.006 0.856 2.716) 2.847 4.955 ( -1.886 0.764 0.609) 2.125 5.136 ( 2.616 4.644 1.471) 5.529 5.179 ( -2.257 6.752 -2.309) 7.484 5.376 ( 1.805 -2.027 -0.137) 2.718 5.392 ( 1.223 -3.105 -2.082) 3.934 5.497 ( -3.352 0.550 0.697) 3.468 5.515 ( -4.577 1.984 -0.855) 5.062 5.674 ( 4.293 10.875 2.162) 11.890 5.710 ( 3.654 9.265 -1.381) 10.054 5.766 ( -4.795 12.760 1.874) 13.759 5.802 ( -5.172 9.791 -1.587) 11.186 6.864 ( 9.429 -6.215 12.212) 16.633 7.019 ( -4.352 -9.701 13.148) 16.909 7.131 ( 9.394 -6.892 -10.082) 15.408 7.347 ( -10.574 -10.480 -15.351) 21.384 10.171 ( 5.380 -1.744 1.891) 5.963 10.191 ( 3.820 -1.510 -0.032) 4.108 10.332 ( 0.385 8.325 0.442) 8.346 10.343 ( -0.600 7.337 -0.614) 7.387 10.490 ( 1.151 8.538 1.402) 8.728 10.501 ( 0.052 7.676 0.670) 7.705 10.754 ( -0.104 -3.628 1.460) 3.912 10.808 ( -5.247 -5.639 -3.435) 8.434 13.764 ( 3.549 -1.724 0.337) 3.960 13.766 ( 4.277 -1.550 0.209) 4.554 13.862 ( -3.094 -0.252 2.698) 4.113 13.893 ( -4.714 -0.700 0.020) 4.765 13.967 ( -2.016 1.278 0.522) 2.443 13.982 ( -3.284 0.639 -0.694) 3.417 14.216 ( 0.419 2.546 1.397) 2.934 14.239 ( -1.869 3.591 -0.782) 4.124 14.610 ( -1.063 -1.877 1.713) 2.755 14.645 ( -4.496 -2.523 -1.341) 5.327 14.756 ( 0.782 2.135 -2.262) 3.207 14.765 ( -0.094 1.664 -3.047) 3.473 24.082 ( 0.607 -0.495 0.513) 0.936 24.084 ( 0.345 -0.474 0.326) 0.670 24.115 ( 0.767 -1.028 0.068) 1.285 24.119 ( 0.308 -1.122 -0.387) 1.226 25.474 ( 3.095 -3.010 3.668) 5.665 25.511 ( -0.020 -3.783 0.912) 3.892 25.677 ( 0.705 -8.373 1.011) 8.463 25.729 ( -3.909 -9.548 -3.233) 10.812 26.552 ( 1.358 6.635 0.486) 6.790 26.566 ( 0.161 7.065 -0.877) 7.121 26.819 ( 1.170 12.517 1.351) 12.643 26.865 ( -3.200 12.912 -3.296) 13.704 27.312 ( 3.301 -4.615 4.486) 7.234 27.355 ( -1.213 -3.617 0.978) 3.938 27.800 ( 6.367 -3.654 0.942) 7.401 27.887 ( -2.444 -4.144 -7.084) 8.563 ======================= Grid point 147 (53/60) ======================= q-point: ( 0.00 0.33 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 92 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.274 ( 0.000 6.945 7.672) 10.348 1.430 ( 0.000 2.663 -7.257) 7.730 1.626 ( 0.000 2.585 2.151) 3.363 1.660 ( 0.000 -2.570 -1.934) 3.216 1.893 ( 0.000 6.608 5.540) 8.623 2.015 ( 0.000 8.015 -5.985) 10.003 2.086 ( 0.000 8.407 1.044) 8.472 2.092 ( 0.000 12.308 0.425) 12.316 2.349 ( 0.000 -1.360 4.504) 4.705 2.426 ( 0.000 0.751 -4.121) 4.189 2.506 ( 0.000 -0.123 4.558) 4.560 2.588 ( 0.000 0.222 -3.227) 3.235 2.690 ( 0.000 -0.760 6.120) 6.168 2.798 ( 0.000 -1.841 -3.371) 3.840 2.828 ( 0.000 -0.758 2.566) 2.676 2.873 ( 0.000 -5.004 -3.609) 6.170 3.009 ( 0.000 0.538 4.958) 4.987 3.078 ( 0.000 6.955 6.661) 9.630 3.151 ( 0.000 -1.017 -9.587) 9.641 3.255 ( 0.000 -2.256 -9.255) 9.526 3.457 ( 0.000 4.534 2.551) 5.202 3.489 ( 0.000 2.138 -0.212) 2.149 3.698 ( 0.000 11.276 3.904) 11.933 3.760 ( 0.000 6.502 -2.434) 6.943 4.001 ( 0.000 9.294 8.620) 12.676 4.025 ( 0.000 5.750 4.534) 7.323 4.189 ( 0.000 -3.794 2.610) 4.605 4.255 ( 0.000 -8.272 -5.064) 9.699 4.474 ( 0.000 -0.456 3.951) 3.977 4.534 ( 0.000 7.580 -4.758) 8.950 4.553 ( 0.000 3.976 -2.325) 4.606 4.677 ( 0.000 -7.096 -10.654) 12.801 4.808 ( 0.000 -1.208 1.818) 2.183 4.878 ( 0.000 -5.624 -5.157) 7.630 5.068 ( 0.000 5.061 8.087) 9.540 5.227 ( 0.000 0.653 -7.401) 7.430 5.613 ( 0.000 1.913 1.255) 2.288 5.651 ( 0.000 1.351 3.724) 3.962 5.661 ( 0.000 6.130 0.481) 6.149 5.768 ( 0.000 10.086 -4.748) 11.147 5.921 ( 0.000 21.115 1.462) 21.165 5.936 ( 0.000 16.231 -0.302) 16.233 6.208 ( 0.000 6.051 2.063) 6.393 6.244 ( 0.000 2.953 -1.098) 3.151 6.413 ( 0.000 0.264 2.078) 2.095 6.467 ( 0.000 -2.281 -2.524) 3.402 6.954 ( 0.000 -11.600 11.927) 16.638 7.164 ( 0.000 -14.155 -8.909) 16.726 9.846 ( 0.000 2.005 3.147) 3.731 9.923 ( 0.000 0.691 -4.406) 4.460 10.194 ( 0.000 -5.443 2.551) 6.011 10.244 ( 0.000 -5.924 -2.381) 6.385 10.551 ( 0.000 11.477 2.100) 11.667 10.597 ( 0.000 11.873 -2.419) 12.117 10.940 ( 0.000 0.545 5.902) 5.927 11.041 ( 0.000 -1.212 -4.086) 4.261 13.591 ( 0.000 -0.084 -0.704) 0.709 13.592 ( 0.000 0.460 -1.113) 1.204 14.032 ( 0.000 -3.830 2.489) 4.568 14.045 ( 0.000 -3.692 0.587) 3.738 14.180 ( 0.000 1.178 -1.273) 1.734 14.193 ( 0.000 1.515 -3.153) 3.498 14.423 ( 0.000 3.765 0.913) 3.875 14.446 ( 0.000 4.080 -1.534) 4.359 14.717 ( 0.000 8.268 3.177) 8.857 14.758 ( 0.000 8.063 -0.880) 8.110 14.911 ( 0.000 -5.530 3.464) 6.525 14.965 ( 0.000 -6.282 -2.004) 6.594 24.006 ( 0.000 -1.083 0.300) 1.124 24.014 ( 0.000 -1.326 -0.438) 1.397 24.052 ( 0.000 -0.232 0.285) 0.367 24.052 ( 0.000 -0.306 0.349) 0.465 25.336 ( 0.000 -0.237 1.501) 1.520 25.367 ( 0.000 -1.314 -1.493) 1.988 25.596 ( 0.000 -7.836 4.839) 9.209 25.671 ( 0.000 -10.200 -2.781) 10.572 26.608 ( 0.000 3.294 -0.320) 3.309 26.613 ( 0.000 2.543 -0.764) 2.655 26.858 ( 0.000 4.143 2.628) 4.907 26.869 ( 0.000 1.000 1.615) 1.899 27.033 ( 0.000 -3.139 -0.250) 3.149 27.059 ( 0.000 -6.067 -2.672) 6.629 27.909 ( 0.000 9.396 4.403) 10.376 28.029 ( 0.000 5.824 -7.640) 9.607 ======================= Grid point 148 (54/60) ======================= q-point: ( 0.14 0.33 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 158 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.330 ( 5.418 6.495 5.667) 10.181 1.457 ( 2.925 2.645 -6.400) 7.517 1.696 ( 7.976 3.981 4.018) 9.778 1.766 ( 9.102 -3.396 -3.357) 10.279 1.932 ( 3.247 5.611 6.105) 8.905 2.057 ( -1.077 9.215 -1.637) 9.421 2.077 ( 3.510 6.791 -2.011) 7.905 2.123 ( 2.353 8.098 -2.521) 8.801 2.389 ( 3.111 -2.157 3.954) 5.474 2.455 ( 1.255 -0.768 -2.864) 3.220 2.547 ( 4.483 1.591 3.439) 5.870 2.615 ( 1.765 -0.462 -1.108) 2.135 2.730 ( 4.170 1.196 2.301) 4.911 2.802 ( 0.917 -0.220 -3.230) 3.365 2.877 ( 6.767 0.127 2.793) 7.321 2.956 ( 7.604 -3.049 -5.559) 9.900 3.005 ( 0.821 -0.869 4.862) 5.006 3.122 ( 1.133 -1.234 -3.999) 4.336 3.196 ( 6.837 5.623 5.641) 10.497 3.324 ( 5.604 2.061 -4.692) 7.594 3.420 ( -3.420 4.317 1.784) 5.789 3.476 ( 0.967 1.552 -3.858) 4.269 3.722 ( 2.657 9.619 4.392) 10.903 3.815 ( 4.348 8.208 -4.341) 10.253 3.997 ( 0.676 8.125 8.506) 11.782 4.070 ( 3.329 7.140 5.422) 9.563 4.168 ( -4.205 -4.557 3.261) 7.005 4.228 ( -0.326 -5.972 -5.404) 8.060 4.479 ( -2.377 9.789 -3.485) 10.659 4.510 ( -1.826 2.181 -0.693) 2.928 4.580 ( 5.274 -0.940 -2.252) 5.811 4.660 ( -0.108 -6.287 -6.880) 9.321 4.848 ( 4.118 -0.807 1.755) 4.548 4.913 ( 3.009 -3.752 -4.584) 6.644 5.064 ( -0.365 4.788 7.340) 8.771 5.216 ( -1.186 0.077 -7.470) 7.564 5.566 ( -5.347 1.388 3.791) 6.700 5.582 ( -5.979 1.212 3.129) 6.856 5.652 ( -1.657 2.743 -0.360) 3.225 5.728 ( -4.100 5.340 -5.419) 8.642 5.892 ( -1.671 18.553 1.499) 18.688 5.922 ( -1.504 15.906 -1.101) 16.015 6.182 ( -2.624 9.244 1.904) 9.796 6.214 ( -3.607 8.353 -1.206) 9.178 6.468 ( 6.865 -0.784 4.941) 8.495 6.561 ( 8.463 -2.604 -3.876) 9.665 6.977 ( 1.891 -9.791 13.041) 16.417 7.218 ( 3.915 -14.042 -10.791) 18.136 9.900 ( 5.157 1.079 2.458) 5.814 9.960 ( 3.681 -0.019 -3.462) 5.054 10.232 ( 3.578 -5.250 2.385) 6.786 10.275 ( 3.053 -5.487 -1.973) 6.582 10.563 ( 1.251 11.131 2.215) 11.418 10.609 ( 1.184 11.405 -2.439) 11.723 10.912 ( -2.695 1.073 4.876) 5.674 11.004 ( -3.733 -0.734 -4.024) 5.538 13.609 ( 2.094 0.104 -0.367) 2.128 13.616 ( 2.288 0.036 -1.083) 2.532 14.014 ( -1.799 -3.209 2.398) 4.392 14.029 ( -1.829 -3.475 0.538) 3.963 14.153 ( -3.596 2.151 -0.111) 4.192 14.167 ( -2.478 2.539 -1.947) 4.047 14.352 ( -6.043 3.540 2.085) 7.307 14.406 ( -3.346 3.305 -3.483) 5.852 14.741 ( 1.841 5.768 2.020) 6.383 14.767 ( 0.258 6.604 -0.435) 6.624 14.835 ( -6.756 -4.489 3.052) 8.666 14.891 ( -7.036 -5.232 -2.428) 9.098 24.019 ( 1.283 -0.995 0.328) 1.656 24.027 ( 1.252 -1.176 -0.381) 1.759 24.062 ( 0.986 -0.317 0.393) 1.108 24.064 ( 1.146 -0.326 0.167) 1.203 25.350 ( 1.406 -0.414 1.691) 2.238 25.384 ( 1.680 -1.550 -1.587) 2.783 25.583 ( -1.279 -7.250 4.537) 8.648 25.655 ( -1.615 -9.592 -2.723) 10.101 26.601 ( -0.073 3.366 0.027) 3.367 26.615 ( 0.652 2.860 -1.458) 3.275 26.890 ( 2.988 2.653 4.028) 5.674 26.956 ( 6.354 3.510 -1.382) 7.390 27.046 ( 2.714 -5.049 3.521) 6.727 27.142 ( 7.577 -4.232 -4.922) 9.978 27.855 ( -5.229 8.616 5.339) 11.405 27.988 ( -3.975 4.304 -7.971) 9.892 ======================= Grid point 149 (55/60) ======================= q-point: ( 0.29 0.33 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 158 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.460 ( 7.781 5.416 2.416) 9.783 1.538 ( 5.308 2.818 -4.627) 7.585 1.880 ( 8.654 3.953 4.365) 10.467 1.939 ( 7.060 -2.693 -1.283) 7.665 1.980 ( 0.606 2.837 5.457) 6.180 2.045 ( 1.560 8.806 1.241) 9.029 2.128 ( 1.890 6.233 -3.107) 7.217 2.162 ( 2.239 6.334 -6.595) 9.414 2.410 ( -1.677 -0.679 1.856) 2.592 2.451 ( -1.462 -1.848 -1.913) 3.035 2.628 ( 2.806 -2.187 0.541) 3.598 2.640 ( 1.226 -3.369 -0.532) 3.625 2.838 ( 6.682 2.081 -0.976) 7.066 2.845 ( 3.840 1.047 -1.207) 4.159 2.994 ( 2.357 -1.663 3.536) 4.563 3.062 ( 0.401 -1.575 -1.375) 2.129 3.133 ( 7.643 2.059 -0.676) 7.944 3.174 ( 10.083 2.078 -2.605) 10.619 3.324 ( 3.679 7.284 3.252) 8.785 3.345 ( -1.918 8.178 -0.479) 8.414 3.452 ( 9.538 2.442 5.937) 11.497 3.580 ( 7.161 0.781 -5.033) 8.788 3.800 ( 5.981 7.808 4.403) 10.776 3.909 ( 5.876 8.851 -5.843) 12.125 4.004 ( -1.016 6.175 7.972) 10.135 4.065 ( -3.738 -4.486 5.586) 8.082 4.132 ( 0.172 5.679 1.507) 5.878 4.244 ( 2.127 3.374 -7.851) 8.806 4.395 ( -4.525 6.636 -0.482) 8.046 4.486 ( -0.567 3.241 -6.174) 6.996 4.692 ( 6.420 -1.011 1.781) 6.739 4.747 ( 6.897 -3.533 -3.026) 8.319 4.940 ( 4.619 1.042 0.639) 4.778 4.971 ( 2.600 -1.640 -2.424) 3.915 5.069 ( 1.769 3.564 5.789) 7.025 5.192 ( -0.558 -1.388 -6.347) 6.521 5.430 ( -7.330 0.528 4.042) 8.388 5.460 ( -6.609 0.645 0.854) 6.695 5.580 ( -5.919 -0.850 -0.180) 5.982 5.611 ( -7.649 -0.789 -2.986) 8.249 5.890 ( 1.538 15.603 0.450) 15.685 5.909 ( 0.619 14.446 -1.075) 14.499 6.115 ( -4.231 10.933 1.293) 11.795 6.128 ( -4.937 11.025 0.121) 12.080 6.633 ( 9.311 0.808 6.584) 11.433 6.751 ( 10.587 -2.814 -3.878) 11.620 7.000 ( 0.210 -6.327 11.774) 13.368 7.252 ( -1.130 -11.772 -12.066) 16.895 10.015 ( 6.254 -0.864 1.594) 6.511 10.052 ( 5.654 -1.483 -2.120) 6.218 10.303 ( 3.086 -5.526 2.470) 6.794 10.339 ( 2.772 -5.173 -1.353) 6.023 10.599 ( 2.549 10.473 2.106) 10.982 10.638 ( 2.006 10.759 -1.821) 11.094 10.852 ( -3.294 2.995 1.935) 4.854 10.911 ( -5.597 1.163 -3.407) 6.655 13.667 ( 3.843 -0.146 0.089) 3.846 13.673 ( 3.549 -0.281 -0.543) 3.602 13.956 ( -4.729 -1.292 2.866) 5.679 13.971 ( -4.068 -1.991 1.002) 4.639 14.064 ( -4.547 2.272 0.471) 5.105 14.087 ( -5.442 4.043 -1.643) 6.976 14.254 ( -3.420 0.061 3.837) 5.140 14.338 ( -3.984 0.608 -4.217) 5.833 14.683 ( -6.166 0.439 2.705) 6.748 14.735 ( -7.198 -1.508 -2.152) 7.663 14.770 ( 1.088 2.324 -0.008) 2.566 14.791 ( -0.266 1.436 -1.767) 2.292 24.048 ( 1.576 -0.750 0.383) 1.786 24.055 ( 1.489 -0.818 -0.215) 1.712 24.082 ( 0.958 -0.450 0.402) 1.132 24.087 ( 1.042 -0.605 -0.048) 1.206 25.385 ( 2.207 -0.929 2.112) 3.193 25.424 ( 2.237 -2.118 -1.489) 3.421 25.555 ( -1.459 -6.120 3.542) 7.220 25.616 ( -2.285 -8.192 -2.522) 8.871 26.620 ( 2.112 4.163 0.550) 4.700 26.646 ( 2.451 3.828 -2.083) 5.000 26.936 ( 1.395 1.978 3.713) 4.432 27.014 ( 0.233 -0.199 -3.920) 3.932 27.170 ( 8.402 0.959 6.702) 10.790 27.303 ( 7.661 -0.745 -6.493) 10.070 27.747 ( -4.625 4.543 7.125) 9.633 27.898 ( -4.928 0.180 -8.003) 9.401 ======================= Grid point 150 (56/60) ======================= q-point: ( 0.43 0.33 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 158 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.601 ( 5.887 4.268 0.512) 7.289 1.631 ( 3.047 3.499 -1.981) 5.045 1.924 ( -1.085 -2.650 1.618) 3.289 1.946 ( -2.951 -1.337 0.093) 3.241 2.046 ( 3.906 11.017 3.044) 12.079 2.085 ( 0.122 8.021 -0.488) 8.037 2.186 ( 4.706 4.547 -0.835) 6.596 2.232 ( 2.610 6.186 -4.419) 8.038 2.360 ( -1.485 -0.864 0.613) 1.824 2.400 ( -3.557 -0.855 -2.894) 4.664 2.656 ( 0.691 -4.312 -0.871) 4.453 2.660 ( 0.412 -4.149 -1.116) 4.316 2.915 ( 4.065 0.146 2.935) 5.017 2.970 ( 1.911 -1.412 -0.350) 2.402 3.010 ( 2.008 -0.220 -0.853) 2.192 3.046 ( 0.281 -3.038 -1.412) 3.362 3.167 ( -1.419 4.827 0.160) 5.034 3.207 ( -4.982 6.049 -3.691) 8.662 3.426 ( 8.839 9.149 2.874) 13.042 3.474 ( 5.499 8.835 -1.208) 10.476 3.623 ( 6.400 -0.840 5.210) 8.296 3.670 ( 1.528 -2.789 1.020) 3.340 3.927 ( 5.246 10.367 4.199) 12.354 3.955 ( 0.362 10.923 6.152) 12.542 4.015 ( -0.652 -0.959 2.921) 3.143 4.020 ( -1.743 2.970 -1.825) 3.897 4.108 ( 2.358 6.983 -2.488) 7.779 4.219 ( -5.951 6.271 -9.063) 12.525 4.402 ( 4.984 2.799 1.600) 5.936 4.476 ( -1.743 2.186 -4.604) 5.387 4.804 ( 4.071 0.113 0.648) 4.124 4.831 ( 1.408 -1.934 -1.734) 2.955 4.996 ( 1.425 5.368 1.446) 5.739 5.004 ( 0.928 4.475 0.285) 4.579 5.150 ( 5.727 0.348 2.813) 6.390 5.211 ( 0.831 -0.542 -3.142) 3.295 5.330 ( -1.798 -1.768 1.950) 3.187 5.357 ( -3.576 -1.174 -0.660) 3.821 5.452 ( -5.357 -3.066 -0.095) 6.173 5.472 ( -6.245 -3.894 -1.923) 7.606 5.941 ( 3.475 12.524 0.082) 12.998 5.945 ( 2.869 12.181 -0.129) 12.515 6.030 ( -4.331 11.575 0.757) 12.381 6.034 ( -4.638 11.761 0.368) 12.647 6.797 ( 7.460 0.218 9.003) 11.694 6.889 ( -0.008 -2.967 7.547) 8.109 7.026 ( 5.938 -4.003 -3.958) 8.183 7.172 ( -6.915 -7.738 -10.747) 14.939 10.121 ( 4.414 -2.243 1.581) 5.197 10.144 ( 2.703 -2.403 -0.512) 3.653 10.332 ( 0.481 -6.516 1.174) 6.638 10.353 ( -1.150 -5.863 -0.891) 6.041 10.662 ( 3.858 9.978 1.523) 10.805 10.688 ( 2.334 9.878 -0.935) 10.193 10.792 ( -2.696 5.170 -0.672) 5.869 10.811 ( -4.257 4.604 -2.196) 6.644 13.745 ( 3.867 -0.269 0.587) 3.920 13.749 ( 4.268 -0.284 0.311) 4.288 13.857 ( -4.591 -0.359 2.554) 5.266 13.874 ( -5.457 -1.133 0.911) 5.647 14.002 ( -1.614 2.240 0.079) 2.762 14.009 ( -2.301 2.679 -0.488) 3.565 14.222 ( 0.063 -2.245 2.217) 3.156 14.259 ( -3.638 -2.033 -1.308) 4.368 14.613 ( -1.146 2.455 0.453) 2.747 14.632 ( -3.181 1.845 -1.461) 3.957 14.784 ( 0.434 0.261 -1.312) 1.406 14.789 ( -0.155 0.493 -1.736) 1.811 24.072 ( 0.847 -0.401 0.403) 1.020 24.076 ( 0.559 -0.362 0.139) 0.680 24.096 ( 0.440 -0.886 0.120) 0.996 24.099 ( 0.183 -0.930 -0.146) 0.959 25.428 ( 2.048 -1.671 2.291) 3.498 25.451 ( 0.083 -2.284 0.601) 2.363 25.541 ( 0.538 -5.759 0.533) 5.809 25.572 ( -2.244 -6.695 -1.953) 7.326 26.670 ( 2.527 5.509 0.564) 6.087 26.688 ( 1.087 5.527 -1.184) 5.756 26.951 ( 0.980 0.360 0.799) 1.315 26.989 ( -2.428 -0.850 -2.860) 3.847 27.308 ( 5.622 5.423 4.760) 9.148 27.373 ( -0.639 5.948 -1.252) 6.111 27.730 ( 2.800 -3.573 2.240) 5.062 27.808 ( -4.588 -4.058 -5.158) 8.008 ======================= Grid point 154 (57/60) ======================= q-point: ( 0.00 0.44 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 92 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.395 ( 0.000 5.770 2.631) 6.341 1.466 ( 0.000 0.268 -3.380) 3.390 1.568 ( 0.000 -3.968 -3.198) 5.096 1.583 ( 0.000 -3.889 -4.104) 5.654 2.065 ( 0.000 8.227 5.465) 9.877 2.134 ( 0.000 2.315 -0.915) 2.489 2.237 ( 0.000 6.006 4.456) 7.479 2.289 ( 0.000 2.824 -1.234) 3.082 2.340 ( 0.000 3.673 6.565) 7.523 2.416 ( 0.000 -2.298 -2.845) 3.657 2.506 ( 0.000 1.549 0.721) 1.709 2.571 ( 0.000 -2.747 -4.214) 5.030 2.704 ( 0.000 2.090 2.378) 3.166 2.744 ( 0.000 -2.415 -1.179) 2.687 2.807 ( 0.000 -0.882 0.816) 1.201 2.814 ( 0.000 -1.615 -0.402) 1.664 3.024 ( 0.000 1.961 0.561) 2.040 3.088 ( 0.000 -4.176 -6.109) 7.400 3.154 ( 0.000 1.040 -0.349) 1.097 3.187 ( 0.000 -3.421 -2.771) 4.403 3.533 ( 0.000 2.577 0.329) 2.598 3.535 ( 0.000 2.165 0.516) 2.225 3.875 ( 0.000 6.848 1.085) 6.933 3.878 ( 0.000 5.562 0.709) 5.607 4.010 ( 0.000 -5.127 5.525) 7.538 4.020 ( 0.000 -6.871 5.092) 8.552 4.226 ( 0.000 5.681 -2.581) 6.239 4.248 ( 0.000 7.762 -5.480) 9.501 4.368 ( 0.000 -4.832 3.929) 6.227 4.466 ( 0.000 -9.734 -5.653) 11.257 4.699 ( 0.000 5.270 -5.136) 7.358 4.704 ( 0.000 4.512 -4.675) 6.497 4.796 ( 0.000 -0.388 2.274) 2.307 4.806 ( 0.000 -1.987 0.560) 2.064 5.148 ( 0.000 3.379 3.582) 4.925 5.206 ( 0.000 -2.493 -2.152) 3.294 5.647 ( 0.000 1.411 3.458) 3.735 5.662 ( 0.000 -0.126 5.891) 5.892 5.746 ( 0.000 3.822 -3.947) 5.494 5.805 ( 0.000 -1.836 -6.243) 6.507 6.204 ( 0.000 4.909 1.624) 5.170 6.218 ( 0.000 3.974 0.538) 4.011 6.352 ( 0.000 11.182 3.131) 11.612 6.390 ( 0.000 11.984 -0.444) 11.992 6.429 ( 0.000 1.435 -0.541) 1.534 6.440 ( 0.000 -0.620 -1.426) 1.555 6.773 ( 0.000 -5.801 7.211) 9.255 6.889 ( 0.000 -14.108 -4.285) 14.744 9.900 ( 0.000 3.246 1.965) 3.795 9.938 ( 0.000 0.089 -1.499) 1.502 10.104 ( 0.000 -2.518 0.419) 2.553 10.133 ( 0.000 -4.757 -2.201) 5.241 10.742 ( 0.000 7.712 2.480) 8.101 10.785 ( 0.000 5.625 -1.458) 5.811 10.930 ( 0.000 -0.261 2.861) 2.873 10.989 ( 0.000 -4.138 -2.742) 4.964 13.601 ( 0.000 0.717 -0.416) 0.829 13.604 ( 0.000 0.440 -0.892) 0.995 13.978 ( 0.000 -1.393 1.269) 1.885 13.986 ( 0.000 -2.058 0.354) 2.088 14.203 ( 0.000 1.000 -1.326) 1.661 14.211 ( 0.000 0.238 -2.342) 2.354 14.498 ( 0.000 3.291 0.400) 3.315 14.512 ( 0.000 2.058 -1.166) 2.365 14.793 ( 0.000 -0.451 2.626) 2.664 14.808 ( 0.000 -2.933 1.249) 3.188 14.876 ( 0.000 2.600 1.040) 2.800 14.894 ( 0.000 -0.324 -0.612) 0.693 23.991 ( 0.000 -0.335 -0.059) 0.340 23.994 ( 0.000 -0.616 -0.324) 0.696 24.048 ( 0.000 -0.070 0.390) 0.396 24.049 ( 0.000 -0.091 0.349) 0.361 25.342 ( 0.000 0.672 0.191) 0.699 25.351 ( 0.000 -0.387 -0.678) 0.781 25.496 ( 0.000 -2.261 2.237) 3.180 25.523 ( 0.000 -4.951 -0.484) 4.975 26.648 ( 0.000 1.221 -0.426) 1.294 26.652 ( 0.000 1.071 -0.822) 1.350 26.887 ( 0.000 1.295 4.036) 4.238 26.918 ( 0.000 0.452 3.196) 3.228 26.967 ( 0.000 -1.778 -2.873) 3.378 26.988 ( 0.000 -1.794 -2.661) 3.209 28.046 ( 0.000 4.739 0.950) 4.834 28.088 ( 0.000 0.416 -3.237) 3.264 ======================= Grid point 155 (58/60) ======================= q-point: ( 0.14 0.44 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 158 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.442 ( 4.512 5.135 1.447) 6.987 1.496 ( 3.154 0.567 -3.279) 4.585 1.656 ( 8.399 -3.381 -2.231) 9.325 1.670 ( 8.358 -4.260 -3.388) 9.974 2.108 ( 3.517 8.518 6.287) 11.156 2.173 ( 2.499 2.360 1.555) 3.773 2.244 ( 1.160 7.468 1.079) 7.635 2.282 ( -1.140 7.893 -1.394) 8.096 2.329 ( 1.215 -3.482 5.201) 6.376 2.428 ( -0.176 -3.550 -4.958) 6.100 2.508 ( 0.471 -1.890 1.142) 2.258 2.573 ( -0.456 -4.648 -3.410) 5.783 2.769 ( 4.897 2.444 0.657) 5.512 2.795 ( 3.524 -0.090 -1.359) 3.778 2.905 ( 10.312 1.976 1.657) 10.630 2.929 ( 12.139 -0.206 0.142) 12.141 3.002 ( 0.016 0.943 -1.905) 2.125 3.052 ( -1.092 -4.091 -5.556) 6.985 3.269 ( 9.190 1.496 4.131) 10.187 3.305 ( 9.093 -2.562 0.889) 9.489 3.509 ( -1.437 3.635 -1.037) 4.044 3.519 ( -0.173 2.342 -1.785) 2.950 3.868 ( 0.891 5.688 3.124) 6.550 3.936 ( 3.162 4.607 -3.301) 6.490 3.979 ( -1.900 -6.119 4.918) 8.077 4.034 ( -1.007 -6.477 0.285) 6.561 4.264 ( 3.086 9.898 0.366) 10.375 4.281 ( 4.489 8.849 -0.833) 9.958 4.421 ( 5.499 -6.886 2.143) 9.069 4.481 ( 3.359 -9.689 -2.838) 10.640 4.626 ( -5.289 4.400 -3.939) 7.928 4.653 ( -4.943 1.819 -5.701) 7.761 4.854 ( 5.360 1.307 1.896) 5.834 4.876 ( 4.960 -0.708 -0.540) 5.039 5.141 ( -0.687 3.063 2.981) 4.330 5.192 ( -1.485 -2.298 -2.057) 3.423 5.587 ( -6.240 0.967 3.916) 7.430 5.596 ( -5.938 0.205 2.968) 6.641 5.698 ( -4.781 2.433 -1.953) 5.709 5.741 ( -6.222 -1.570 -4.769) 7.995 6.137 ( -4.066 5.623 0.694) 6.974 6.150 ( -4.146 4.484 -0.419) 6.122 6.335 ( -2.734 6.481 2.899) 7.608 6.367 ( -4.342 3.505 -0.115) 5.582 6.530 ( 10.568 7.556 1.626) 13.092 6.566 ( 10.323 3.440 -1.931) 11.051 6.830 ( 4.745 -4.069 7.187) 9.525 6.952 ( 5.201 -13.361 -4.858) 15.139 9.937 ( 3.508 2.410 1.257) 4.438 9.965 ( 2.710 -0.020 -1.439) 3.069 10.143 ( 3.571 -2.611 0.723) 4.482 10.167 ( 3.223 -4.566 -1.615) 5.818 10.752 ( 0.977 7.754 2.376) 8.168 10.796 ( 1.087 5.951 -1.827) 6.320 10.907 ( -2.104 -0.547 2.529) 3.335 10.963 ( -2.456 -3.689 -2.796) 5.240 13.619 ( 1.907 0.632 -0.275) 2.027 13.623 ( 1.904 0.285 -0.743) 2.063 13.968 ( -1.107 -1.231 1.372) 2.150 13.974 ( -1.196 -1.855 0.548) 2.274 14.192 ( -1.692 1.583 -0.302) 2.336 14.202 ( -1.065 0.736 -1.422) 1.923 14.415 ( -8.043 2.832 0.728) 8.558 14.443 ( -6.588 0.312 -2.191) 6.950 14.761 ( -3.433 -1.746 1.887) 4.288 14.769 ( -3.367 -2.448 1.154) 4.319 14.858 ( -1.679 2.552 0.226) 3.063 14.864 ( -2.603 1.425 -0.417) 2.997 24.006 ( 1.408 -0.294 -0.019) 1.438 24.009 ( 1.419 -0.584 -0.303) 1.564 24.059 ( 0.971 -0.049 0.405) 1.053 24.060 ( 1.019 -0.140 0.301) 1.071 25.353 ( 1.113 0.597 0.316) 1.302 25.364 ( 1.261 -0.585 -0.720) 1.565 25.490 ( -0.563 -2.069 2.091) 2.995 25.515 ( -0.704 -4.622 -0.472) 4.699 26.648 ( 0.449 1.451 -0.681) 1.665 26.653 ( 0.810 0.987 -1.143) 1.713 26.915 ( 1.990 0.937 4.102) 4.655 26.956 ( 0.931 -3.526 2.041) 4.179 27.029 ( 8.937 3.281 -0.499) 9.533 27.082 ( 8.844 -2.433 -3.669) 9.880 27.985 ( -6.138 4.679 1.284) 7.824 28.030 ( -5.788 -0.021 -3.228) 6.628 ======================= Grid point 156 (59/60) ======================= q-point: ( 0.29 0.44 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 158 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.551 ( 6.627 3.839 0.070) 7.659 1.583 ( 5.803 1.050 -2.682) 6.478 1.811 ( 5.497 -3.181 0.345) 6.361 1.833 ( 6.190 -4.936 -1.845) 8.129 2.174 ( 3.783 9.016 6.433) 11.704 2.209 ( 2.262 6.111 2.676) 7.044 2.274 ( 0.594 7.393 -1.836) 7.640 2.287 ( 2.719 6.121 -3.291) 7.462 2.363 ( 1.572 -4.254 2.132) 5.011 2.418 ( -0.684 -2.333 -3.929) 4.620 2.516 ( 0.158 -5.829 -1.057) 5.926 2.548 ( -1.774 -5.818 -3.760) 7.150 2.851 ( 3.274 0.772 -0.058) 3.364 2.868 ( 4.587 0.241 -1.676) 4.889 2.973 ( 0.596 0.154 -0.132) 0.629 3.010 ( -1.358 -2.867 -3.118) 4.449 3.195 ( 10.410 2.781 0.932) 10.816 3.216 ( 13.548 1.352 -0.764) 13.636 3.437 ( 7.575 2.699 6.466) 10.318 3.450 ( 8.102 0.896 6.559) 10.463 3.520 ( 1.727 6.970 -3.520) 7.997 3.589 ( 6.247 0.701 -5.193) 8.154 3.866 ( -0.217 -0.975 3.341) 3.487 3.909 ( -1.845 -5.966 0.823) 6.299 4.023 ( 4.724 2.438 -1.607) 5.553 4.055 ( 4.676 -0.392 -3.013) 5.577 4.341 ( 1.844 12.586 5.112) 13.709 4.383 ( 5.382 9.287 1.414) 10.827 4.490 ( -6.270 3.142 -3.026) 7.638 4.506 ( -1.038 -1.707 -3.200) 3.772 4.596 ( 4.806 -7.404 -1.294) 8.921 4.613 ( 5.418 -8.627 -2.230) 10.429 4.969 ( 6.518 2.006 0.794) 6.866 4.983 ( 6.519 1.004 -0.413) 6.609 5.135 ( 0.734 2.244 1.446) 2.769 5.164 ( -0.482 -1.374 -1.535) 2.115 5.449 ( -7.419 1.309 2.778) 8.029 5.466 ( -7.274 -0.064 1.077) 7.353 5.570 ( -8.463 0.146 -0.090) 8.465 5.588 ( -9.376 -1.404 -1.741) 9.639 6.089 ( -0.878 5.039 0.032) 5.115 6.098 ( -1.128 4.264 -0.746) 4.473 6.261 ( -4.587 4.251 1.658) 6.470 6.273 ( -5.263 3.196 0.567) 6.184 6.731 ( 9.610 7.099 2.262) 12.160 6.769 ( 9.972 3.622 -1.482) 10.712 6.913 ( 3.411 -1.816 6.619) 7.664 7.034 ( 2.569 -10.985 -5.152) 12.403 10.018 ( 4.678 1.028 0.438) 4.810 10.035 ( 4.485 -0.515 -1.317) 4.703 10.206 ( 2.142 -2.919 1.326) 3.855 10.227 ( 2.107 -4.710 -0.841) 5.228 10.780 ( 1.943 7.383 1.646) 7.810 10.819 ( 1.066 6.895 -2.207) 7.318 10.873 ( -0.928 -1.133 1.352) 1.993 10.912 ( -2.471 -1.844 -2.381) 3.896 13.671 ( 3.452 0.333 0.073) 3.469 13.673 ( 3.308 0.083 -0.230) 3.317 13.932 ( -2.951 -0.763 1.801) 3.540 13.936 ( -2.986 -1.249 1.172) 3.443 14.127 ( -4.584 3.708 1.911) 6.198 14.164 ( -3.266 2.193 -1.068) 4.076 14.237 ( -8.804 -0.015 1.952) 9.017 14.299 ( -7.606 -3.984 -3.489) 9.269 14.695 ( -2.378 0.827 0.809) 2.644 14.710 ( -2.090 -0.804 -0.696) 2.346 14.811 ( -2.825 1.427 -0.073) 3.166 14.819 ( -2.328 0.716 -0.838) 2.576 24.038 ( 1.795 -0.199 0.075) 1.807 24.041 ( 1.783 -0.482 -0.216) 1.860 24.077 ( 0.770 -0.074 0.376) 0.860 24.079 ( 0.799 -0.245 0.200) 0.859 25.381 ( 1.755 0.434 0.614) 1.910 25.395 ( 1.885 -0.944 -0.729) 2.231 25.476 ( -0.888 -1.737 1.717) 2.599 25.498 ( -1.091 -3.913 -0.476) 4.091 26.683 ( 3.287 2.201 -0.396) 3.976 26.695 ( 3.625 1.106 -1.619) 4.121 26.935 ( -0.257 -0.320 2.538) 2.571 26.961 ( -0.752 -2.990 0.311) 3.099 27.237 ( 11.714 3.855 1.641) 12.441 27.289 ( 11.808 -1.436 -3.217) 12.322 27.835 ( -8.863 4.021 2.190) 9.976 27.889 ( -8.443 -1.486 -3.144) 9.131 ======================= Grid point 157 (60/60) ======================= q-point: ( 0.43 0.44 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 158 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.679 ( 6.047 3.820 0.144) 7.154 1.698 ( 5.083 2.871 -1.381) 5.999 1.833 ( -1.822 -4.332 1.405) 4.905 1.853 ( -2.900 -5.433 -0.351) 6.168 2.258 ( 2.378 9.475 1.305) 9.856 2.262 ( 3.193 8.039 3.007) 9.158 2.297 ( 2.141 6.057 -2.424) 6.866 2.336 ( 1.483 3.728 -3.022) 5.023 2.371 ( -0.188 0.385 -0.662) 0.789 2.400 ( -1.481 0.514 -3.223) 3.584 2.511 ( -0.339 -8.579 -2.042) 8.825 2.519 ( -1.072 -8.887 -2.754) 9.366 2.913 ( 3.206 0.648 1.092) 3.448 2.942 ( 2.173 -1.349 -1.556) 2.994 2.979 ( -1.326 -2.407 -0.473) 2.788 2.984 ( 0.004 -2.205 -1.550) 2.696 3.304 ( 3.131 8.080 0.735) 8.696 3.342 ( 0.481 6.566 -2.841) 7.170 3.501 ( -0.712 -5.982 -0.263) 6.030 3.508 ( -0.530 -3.624 -0.652) 3.720 3.674 ( 10.258 9.945 4.551) 14.994 3.718 ( 5.843 6.921 0.553) 9.075 3.908 ( 2.382 -6.135 4.784) 8.136 3.917 ( 1.000 -6.358 4.567) 7.892 4.130 ( 6.119 5.576 -0.701) 8.308 4.170 ( 6.834 2.063 -4.294) 8.331 4.260 ( -7.320 8.222 1.676) 11.135 4.321 ( -9.062 1.922 -4.270) 10.201 4.480 ( 4.022 8.509 0.123) 9.413 4.519 ( 0.128 5.332 -3.604) 6.437 4.688 ( 3.145 -10.395 0.786) 10.888 4.699 ( 2.054 -10.382 -0.401) 10.591 5.100 ( 6.731 5.191 1.218) 8.587 5.119 ( 6.352 4.495 -0.531) 7.800 5.191 ( 4.959 2.179 1.555) 5.635 5.208 ( 4.773 -0.538 -0.292) 4.812 5.318 ( -5.474 0.345 1.013) 5.578 5.329 ( -6.493 -1.197 0.289) 6.609 5.395 ( -8.733 -2.222 0.626) 9.033 5.406 ( -8.804 -2.712 -0.728) 9.241 6.102 ( 2.157 4.357 0.125) 4.863 6.107 ( 1.865 4.069 -0.248) 4.483 6.174 ( -4.147 3.362 0.677) 5.381 6.177 ( -4.496 3.059 0.475) 5.458 6.873 ( 5.011 5.970 3.363) 8.489 6.908 ( 2.646 4.084 2.018) 5.268 6.965 ( 3.648 -2.792 0.835) 4.669 7.037 ( -2.281 -6.830 -4.004) 8.239 10.105 ( 4.152 0.740 0.561) 4.255 10.120 ( 3.608 -0.119 -0.910) 3.722 10.208 ( -1.325 -4.449 0.971) 4.743 10.225 ( -2.075 -5.471 -0.752) 5.900 10.821 ( 2.182 5.812 0.406) 6.222 10.838 ( 0.821 5.112 -1.147) 5.303 10.867 ( -0.210 1.353 -0.557) 1.478 10.876 ( -1.350 1.041 -1.337) 2.166 13.747 ( 4.522 0.264 0.736) 4.589 13.749 ( 4.675 0.118 0.586) 4.713 13.849 ( -5.252 -0.223 1.901) 5.590 13.854 ( -5.376 -0.754 1.380) 5.601 14.061 ( -1.409 3.979 0.977) 4.333 14.081 ( -3.506 4.668 -0.812) 5.894 14.148 ( -1.055 -4.695 1.837) 5.151 14.180 ( -4.327 -5.258 -1.171) 6.910 14.682 ( 0.650 3.761 -0.210) 3.823 14.694 ( -0.210 3.266 -1.504) 3.602 14.766 ( -1.359 -1.689 -0.471) 2.218 14.775 ( -1.922 -1.823 -1.416) 3.003 24.068 ( 1.180 -0.043 0.186) 1.195 24.070 ( 1.113 -0.231 -0.040) 1.137 24.084 ( -0.120 -0.278 0.250) 0.392 24.086 ( -0.147 -0.434 0.065) 0.462 25.415 ( 1.637 0.362 0.910) 1.907 25.427 ( 1.010 -0.347 -0.145) 1.078 25.460 ( -0.482 -2.420 0.806) 2.596 25.474 ( -1.355 -3.372 -0.497) 3.668 26.763 ( 4.351 3.968 0.089) 5.889 26.776 ( 3.849 3.253 -1.280) 5.200 26.902 ( -2.396 -3.012 0.809) 3.933 26.920 ( -3.281 -4.185 -0.846) 5.385 27.445 ( 9.463 6.595 2.180) 11.739 27.492 ( 7.898 3.321 -2.574) 8.946 27.676 ( -6.410 -0.774 2.537) 6.937 27.727 ( -8.200 -4.372 -2.532) 9.631 =================== 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 3/26460 10.0 429.401 224.937 236.297 0.000 0.000 -0.000 3/26460 20.0 53.674 31.859 30.197 0.000 0.000 -0.000 3/26460 30.0 20.374 13.286 10.859 0.000 0.000 -0.000 3/26460 40.0 11.460 7.869 5.956 0.000 0.000 -0.000 3/26460 50.0 7.787 5.538 4.001 0.000 0.000 -0.000 3/26460 60.0 5.884 4.305 3.011 0.000 0.000 -0.000 3/26460 70.0 4.745 3.556 2.428 0.000 0.000 -0.000 3/26460 80.0 3.993 3.054 2.048 0.000 0.000 -0.000 3/26460 90.0 3.460 2.692 1.780 0.000 0.000 -0.000 3/26460 100.0 3.062 2.417 1.580 0.000 0.000 -0.000 3/26460 110.0 2.754 2.200 1.425 0.000 0.000 -0.000 3/26460 120.0 2.507 2.024 1.300 0.000 0.000 -0.000 3/26460 130.0 2.305 1.877 1.198 0.000 0.000 -0.000 3/26460 140.0 2.137 1.752 1.112 0.000 0.000 -0.000 3/26460 150.0 1.993 1.645 1.039 0.000 0.000 -0.000 3/26460 160.0 1.870 1.552 0.975 0.000 0.000 -0.000 3/26460 170.0 1.763 1.471 0.920 0.000 0.000 -0.000 3/26460 180.0 1.669 1.399 0.871 0.000 0.000 -0.000 3/26460 190.0 1.586 1.334 0.828 0.000 0.000 -0.000 3/26460 200.0 1.511 1.277 0.789 0.000 0.000 -0.000 3/26460 210.0 1.444 1.224 0.754 0.000 0.000 -0.000 3/26460 220.0 1.384 1.177 0.723 0.000 0.000 -0.000 3/26460 230.0 1.329 1.134 0.694 0.000 0.000 -0.000 3/26460 240.0 1.278 1.094 0.668 0.000 0.000 -0.000 3/26460 250.0 1.232 1.058 0.643 0.000 0.000 -0.000 3/26460 260.0 1.189 1.024 0.621 0.000 0.000 -0.000 3/26460 270.0 1.150 0.993 0.601 0.000 0.000 -0.000 3/26460 280.0 1.113 0.964 0.581 0.000 0.000 -0.000 3/26460 290.0 1.079 0.937 0.564 0.000 0.000 -0.000 3/26460 300.0 1.047 0.911 0.547 0.000 0.000 -0.000 3/26460 310.0 1.017 0.887 0.531 0.000 0.000 -0.000 3/26460 320.0 0.989 0.865 0.517 0.000 0.000 -0.000 3/26460 330.0 0.962 0.843 0.503 0.000 0.000 -0.000 3/26460 340.0 0.937 0.823 0.490 0.000 0.000 -0.000 3/26460 350.0 0.914 0.804 0.477 0.000 0.000 -0.000 3/26460 360.0 0.891 0.786 0.466 0.000 0.000 -0.000 3/26460 370.0 0.870 0.769 0.455 0.000 0.000 -0.000 3/26460 380.0 0.850 0.752 0.444 0.000 0.000 -0.000 3/26460 390.0 0.830 0.736 0.434 0.000 0.000 -0.000 3/26460 400.0 0.812 0.721 0.424 0.000 0.000 -0.000 3/26460 410.0 0.794 0.707 0.415 0.000 0.000 -0.000 3/26460 420.0 0.778 0.693 0.406 0.000 0.000 -0.000 3/26460 430.0 0.762 0.680 0.398 0.000 0.000 -0.000 3/26460 440.0 0.746 0.667 0.390 0.000 0.000 -0.000 3/26460 450.0 0.731 0.655 0.382 0.000 0.000 -0.000 3/26460 460.0 0.717 0.643 0.375 0.000 0.000 -0.000 3/26460 470.0 0.703 0.632 0.368 0.000 0.000 -0.000 3/26460 480.0 0.690 0.621 0.361 0.000 0.000 -0.000 3/26460 490.0 0.678 0.610 0.354 0.000 0.000 -0.000 3/26460 500.0 0.665 0.600 0.348 0.000 0.000 -0.000 3/26460 510.0 0.654 0.590 0.342 0.000 0.000 -0.000 3/26460 520.0 0.642 0.580 0.336 0.000 0.000 -0.000 3/26460 530.0 0.631 0.571 0.330 0.000 0.000 -0.000 3/26460 540.0 0.621 0.562 0.325 0.000 0.000 -0.000 3/26460 550.0 0.611 0.553 0.319 0.000 0.000 -0.000 3/26460 560.0 0.601 0.545 0.314 0.000 0.000 -0.000 3/26460 570.0 0.591 0.536 0.309 0.000 0.000 -0.000 3/26460 580.0 0.582 0.528 0.304 0.000 0.000 -0.000 3/26460 590.0 0.573 0.521 0.300 0.000 0.000 -0.000 3/26460 600.0 0.564 0.513 0.295 0.000 0.000 -0.000 3/26460 610.0 0.556 0.506 0.291 0.000 0.000 -0.000 3/26460 620.0 0.547 0.499 0.286 0.000 0.000 -0.000 3/26460 630.0 0.539 0.492 0.282 0.000 0.000 -0.000 3/26460 640.0 0.532 0.485 0.278 0.000 0.000 -0.000 3/26460 650.0 0.524 0.479 0.274 0.000 0.000 -0.000 3/26460 660.0 0.517 0.472 0.270 0.000 0.000 -0.000 3/26460 670.0 0.510 0.466 0.267 0.000 0.000 -0.000 3/26460 680.0 0.503 0.460 0.263 0.000 0.000 -0.000 3/26460 690.0 0.496 0.454 0.260 0.000 0.000 -0.000 3/26460 700.0 0.489 0.448 0.256 0.000 0.000 -0.000 3/26460 710.0 0.483 0.443 0.253 0.000 0.000 -0.000 3/26460 720.0 0.477 0.437 0.250 0.000 0.000 -0.000 3/26460 730.0 0.471 0.432 0.246 0.000 0.000 -0.000 3/26460 740.0 0.465 0.427 0.243 0.000 0.000 -0.000 3/26460 750.0 0.459 0.421 0.240 0.000 0.000 -0.000 3/26460 760.0 0.453 0.416 0.237 0.000 0.000 -0.000 3/26460 770.0 0.448 0.412 0.234 0.000 0.000 -0.000 3/26460 780.0 0.442 0.407 0.232 0.000 0.000 -0.000 3/26460 790.0 0.437 0.402 0.229 0.000 0.000 -0.000 3/26460 800.0 0.432 0.398 0.226 0.000 0.000 -0.000 3/26460 810.0 0.427 0.393 0.224 0.000 0.000 -0.000 3/26460 820.0 0.422 0.389 0.221 0.000 0.000 -0.000 3/26460 830.0 0.417 0.385 0.218 0.000 0.000 -0.000 3/26460 840.0 0.412 0.380 0.216 0.000 0.000 -0.000 3/26460 850.0 0.408 0.376 0.214 0.000 0.000 -0.000 3/26460 860.0 0.403 0.372 0.211 0.000 0.000 -0.000 3/26460 870.0 0.399 0.368 0.209 0.000 0.000 -0.000 3/26460 880.0 0.395 0.365 0.207 0.000 0.000 -0.000 3/26460 890.0 0.391 0.361 0.205 0.000 0.000 -0.000 3/26460 900.0 0.386 0.357 0.202 0.000 0.000 -0.000 3/26460 910.0 0.382 0.353 0.200 0.000 0.000 -0.000 3/26460 920.0 0.378 0.350 0.198 0.000 0.000 -0.000 3/26460 930.0 0.375 0.346 0.196 0.000 0.000 -0.000 3/26460 940.0 0.371 0.343 0.194 0.000 0.000 -0.000 3/26460 950.0 0.367 0.340 0.192 0.000 0.000 -0.000 3/26460 960.0 0.363 0.336 0.190 0.000 0.000 -0.000 3/26460 970.0 0.360 0.333 0.188 0.000 0.000 -0.000 3/26460 980.0 0.356 0.330 0.187 0.000 0.000 -0.000 3/26460 990.0 0.353 0.327 0.185 0.000 0.000 -0.000 3/26460 1000.0 0.350 0.324 0.183 0.000 0.000 -0.000 3/26460 Thermal conductivity related properties were written into "kappa-m795.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 03:35:29]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|