----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-08 08:52:19]------------------------- Compiled with OpenMP support (max 128 threads). Running in phonopy.load mode. Python version 3.14.2 Spglib version 2.6.1 Crystal structure was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". Unit of length: angstrom Settings: Supercell: [1 1 2] Primitive matrix: [ 0.5 0.5 -0. ] [-0.5 0.5 0. ] [0. 0. 1.] Spacegroup: C2/c (15) Number of symmetry operations in supercell: 16 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 6.516557160000368 -5.492375450000000 0.000000000000000 b 6.516557160000368 5.492375450000000 0.000000000000000 c -5.029969447258883 0.000000000000000 6.881181943452881 Atomic positions (fractional): *1 F 0.73923739523888 0.68068724731862 0.60176633391226 18.998 2 F 0.31931275268137 0.26076260476112 0.89823366608774 18.998 3 F 0.26076260476112 0.31931275268138 0.39823366608774 18.998 4 F 0.68068724731863 0.73923739523888 0.10176633391226 18.998 *5 F 0.59810987962849 0.18760204929956 0.43261267070822 18.998 6 F 0.81239795070044 0.40189012037151 0.06738732929178 18.998 *7 F 0.60285687331764 0.39714312668236 0.25000000000000 18.998 8 F 0.39714312668236 0.60285687331764 0.75000000000000 18.998 *9 F 0.49695880591429 0.73798495240142 0.28057376295130 18.998 10 F 0.26201504759858 0.50304119408571 0.21942623704870 18.998 11 F 0.50304119408571 0.26201504759858 0.71942623704870 18.998 12 F 0.73798495240142 0.49695880591429 0.78057376295130 18.998 *13 F 0.27691475131470 0.97383446886421 0.15486810733736 18.998 14 F 0.02616553113579 0.72308524868530 0.34513189266264 18.998 15 F 0.72308524868530 0.02616553113579 0.84513189266264 18.998 16 F 0.97383446886421 0.27691475131470 0.65486810733736 18.998 *17 F 0.50000000000000 0.00000000000000 0.00000000000000 18.998 18 F 0.00000000000000 0.50000000000000 0.50000000000000 18.998 *19 F 0.93238017371334 0.82350747673792 0.04177487142267 18.998 20 F 0.17649252326208 0.06761982628666 0.45822512857733 18.998 21 F 0.06761982628666 0.17649252326208 0.95822512857733 18.998 22 F 0.82350747673792 0.93238017371334 0.54177487142267 18.998 23 F 0.18760204929956 0.59810987962849 0.93261267070822 18.998 24 F 0.40189012037151 0.81239795070044 0.56738732929178 18.998 *25 Th 0.78738083287156 0.21261916712844 0.75000000000000 232.038 26 Th 0.21261916712844 0.78738083287156 0.25000000000000 232.038 *27 Th 0.63192714373068 0.77538104748492 0.82972349158239 232.038 28 Th 0.22461895251508 0.36807285626932 0.67027650841761 232.038 29 Th 0.36807285626932 0.22461895251508 0.17027650841761 232.038 30 Th 0.77538104748492 0.63192714373068 0.32972349158239 232.038 -------------------------------- unit cell --------------------------------- Lattice vectors: a 13.033114320000736 0.000000000000000 0.000000000000000 b 0.000000000000000 10.984750900000000 0.000000000000000 c -5.029969447258883 0.000000000000000 6.881181943452881 Atomic positions (fractional): *1 F 0.20996232127875 0.47072492603987 0.60176633391226 18.998 > 1 2 F 0.79003767872125 0.47072492603987 0.89823366608774 18.998 > 2 3 F 0.79003767872125 0.52927507396013 0.39823366608774 18.998 > 3 4 F 0.20996232127875 0.52927507396013 0.10176633391226 18.998 > 4 *5 F 0.89285596446403 0.29474608483553 0.43261267070822 18.998 > 5 6 F 0.10714403553597 0.29474608483553 0.06738732929178 18.998 > 6 *7 F 0.00000000000000 0.39714312668236 0.25000000000000 18.998 > 7 8 F 0.00000000000000 0.60285687331764 0.75000000000000 18.998 > 8 *9 F 0.11747187915785 0.62051307324357 0.28057376295130 18.998 > 9 10 F 0.88252812084215 0.62051307324357 0.21942623704870 18.998 > 10 11 F 0.88252812084215 0.37948692675643 0.71942623704870 18.998 > 11 12 F 0.11747187915785 0.37948692675643 0.78057376295130 18.998 > 12 *13 F 0.12537461008945 0.84845985877475 0.15486810733736 18.998 > 13 14 F 0.87462538991055 0.84845985877475 0.34513189266264 18.998 > 14 15 F 0.87462538991055 0.15154014122525 0.84513189266264 18.998 > 15 16 F 0.12537461008945 0.15154014122525 0.65486810733736 18.998 > 16 *17 F 0.25000000000000 0.75000000000000 0.00000000000000 18.998 > 17 18 F 0.75000000000000 0.75000000000000 0.50000000000000 18.998 > 18 *19 F 0.37794382522563 0.44556365151229 0.04177487142267 18.998 > 19 20 F 0.62205617477437 0.44556365151229 0.45822512857733 18.998 > 20 21 F 0.62205617477437 0.55443634848771 0.95822512857733 18.998 > 21 22 F 0.37794382522563 0.55443634848771 0.54177487142267 18.998 > 22 23 F 0.89285596446403 0.70525391516447 0.93261267070822 18.998 > 23 24 F 0.10714403553597 0.70525391516447 0.56738732929178 18.998 > 24 25 F 0.70996232127875 0.97072492603987 0.60176633391226 18.998 > 1 26 F 0.29003767872125 0.97072492603987 0.89823366608774 18.998 > 2 27 F 0.29003767872125 0.02927507396013 0.39823366608774 18.998 > 3 28 F 0.70996232127875 0.02927507396013 0.10176633391226 18.998 > 4 29 F 0.39285596446403 0.79474608483553 0.43261267070822 18.998 > 5 30 F 0.60714403553597 0.79474608483553 0.06738732929178 18.998 > 6 31 F 0.50000000000000 0.89714312668236 0.25000000000000 18.998 > 7 32 F 0.50000000000000 0.10285687331764 0.75000000000000 18.998 > 8 33 F 0.61747187915785 0.12051307324357 0.28057376295130 18.998 > 9 34 F 0.38252812084215 0.12051307324357 0.21942623704870 18.998 > 10 35 F 0.38252812084215 0.87948692675643 0.71942623704870 18.998 > 11 36 F 0.61747187915785 0.87948692675643 0.78057376295130 18.998 > 12 37 F 0.62537461008945 0.34845985877475 0.15486810733736 18.998 > 13 38 F 0.37462538991055 0.34845985877475 0.34513189266264 18.998 > 14 39 F 0.37462538991055 0.65154014122525 0.84513189266264 18.998 > 15 40 F 0.62537461008945 0.65154014122525 0.65486810733736 18.998 > 16 41 F 0.75000000000000 0.25000000000000 0.00000000000000 18.998 > 17 42 F 0.25000000000000 0.25000000000000 0.50000000000000 18.998 > 18 43 F 0.87794382522563 0.94556365151229 0.04177487142267 18.998 > 19 44 F 0.12205617477437 0.94556365151229 0.45822512857733 18.998 > 20 45 F 0.12205617477437 0.05443634848771 0.95822512857733 18.998 > 21 46 F 0.87794382522563 0.05443634848771 0.54177487142267 18.998 > 22 47 F 0.39285596446403 0.20525391516447 0.93261267070822 18.998 > 23 48 F 0.60714403553597 0.20525391516447 0.56738732929178 18.998 > 24 *49 Th 0.00000000000000 0.21261916712844 0.75000000000000 232.038 > 25 50 Th 0.00000000000000 0.78738083287156 0.25000000000000 232.038 > 26 *51 Th 0.20365409560780 0.57172695187712 0.82972349158239 232.038 > 27 52 Th 0.79634590439220 0.57172695187712 0.67027650841761 232.038 > 28 53 Th 0.79634590439220 0.42827304812288 0.17027650841761 232.038 > 29 54 Th 0.20365409560780 0.42827304812288 0.32972349158239 232.038 > 30 55 Th 0.50000000000000 0.71261916712844 0.75000000000000 232.038 > 25 56 Th 0.50000000000000 0.28738083287156 0.25000000000000 232.038 > 26 57 Th 0.70365409560780 0.07172695187712 0.82972349158239 232.038 > 27 58 Th 0.29634590439220 0.07172695187712 0.67027650841761 232.038 > 28 59 Th 0.29634590439220 0.92827304812288 0.17027650841761 232.038 > 29 60 Th 0.70365409560780 0.92827304812288 0.32972349158239 232.038 > 30 -------------------------------- super cell -------------------------------- Lattice vectors: a 13.033114320000736 0.000000000000000 0.000000000000000 b 0.000000000000000 10.984750900000000 0.000000000000000 c -10.059938894517765 0.000000000000000 13.762363886905762 Atomic positions (fractional): *1 F 0.20996232127875 0.47072492603987 0.30088316695613 18.998 > 1 2 F 0.20996232127875 0.47072492603987 0.80088316695613 18.998 > 1 3 F 0.79003767872125 0.47072492603987 0.44911683304387 18.998 > 2 4 F 0.79003767872125 0.47072492603987 0.94911683304387 18.998 > 2 5 F 0.79003767872125 0.52927507396013 0.19911683304387 18.998 > 3 6 F 0.79003767872125 0.52927507396013 0.69911683304387 18.998 > 3 7 F 0.20996232127875 0.52927507396013 0.05088316695613 18.998 > 4 8 F 0.20996232127875 0.52927507396013 0.55088316695613 18.998 > 4 *9 F 0.89285596446403 0.29474608483553 0.21630633535411 18.998 > 5 10 F 0.89285596446403 0.29474608483553 0.71630633535411 18.998 > 5 11 F 0.10714403553597 0.29474608483553 0.03369366464589 18.998 > 6 12 F 0.10714403553597 0.29474608483553 0.53369366464589 18.998 > 6 *13 F 0.00000000000000 0.39714312668236 0.12500000000000 18.998 > 7 14 F 0.00000000000000 0.39714312668236 0.62500000000000 18.998 > 7 15 F 0.00000000000000 0.60285687331764 0.37500000000000 18.998 > 8 16 F 0.00000000000000 0.60285687331764 0.87500000000000 18.998 > 8 *17 F 0.11747187915785 0.62051307324357 0.14028688147565 18.998 > 9 18 F 0.11747187915785 0.62051307324357 0.64028688147565 18.998 > 9 19 F 0.88252812084215 0.62051307324357 0.10971311852435 18.998 > 10 20 F 0.88252812084215 0.62051307324357 0.60971311852435 18.998 > 10 21 F 0.88252812084215 0.37948692675643 0.35971311852435 18.998 > 11 22 F 0.88252812084215 0.37948692675643 0.85971311852435 18.998 > 11 23 F 0.11747187915785 0.37948692675643 0.39028688147565 18.998 > 12 24 F 0.11747187915785 0.37948692675643 0.89028688147565 18.998 > 12 *25 F 0.12537461008945 0.84845985877475 0.07743405366868 18.998 > 13 26 F 0.12537461008945 0.84845985877475 0.57743405366868 18.998 > 13 27 F 0.87462538991055 0.84845985877475 0.17256594633132 18.998 > 14 28 F 0.87462538991055 0.84845985877475 0.67256594633132 18.998 > 14 29 F 0.87462538991055 0.15154014122525 0.42256594633132 18.998 > 15 30 F 0.87462538991055 0.15154014122525 0.92256594633132 18.998 > 15 31 F 0.12537461008945 0.15154014122525 0.32743405366868 18.998 > 16 32 F 0.12537461008945 0.15154014122525 0.82743405366868 18.998 > 16 *33 F 0.25000000000000 0.75000000000000 0.00000000000000 18.998 > 17 34 F 0.25000000000000 0.75000000000000 0.50000000000000 18.998 > 17 35 F 0.75000000000000 0.75000000000000 0.25000000000000 18.998 > 18 36 F 0.75000000000000 0.75000000000000 0.75000000000000 18.998 > 18 *37 F 0.37794382522563 0.44556365151229 0.02088743571133 18.998 > 19 38 F 0.37794382522563 0.44556365151229 0.52088743571133 18.998 > 19 39 F 0.62205617477437 0.44556365151229 0.22911256428867 18.998 > 20 40 F 0.62205617477437 0.44556365151229 0.72911256428867 18.998 > 20 41 F 0.62205617477437 0.55443634848771 0.47911256428867 18.998 > 21 42 F 0.62205617477437 0.55443634848771 0.97911256428867 18.998 > 21 43 F 0.37794382522563 0.55443634848771 0.27088743571133 18.998 > 22 44 F 0.37794382522563 0.55443634848771 0.77088743571133 18.998 > 22 45 F 0.89285596446403 0.70525391516447 0.46630633535411 18.998 > 23 46 F 0.89285596446403 0.70525391516447 0.96630633535411 18.998 > 23 47 F 0.10714403553597 0.70525391516447 0.28369366464589 18.998 > 24 48 F 0.10714403553597 0.70525391516447 0.78369366464589 18.998 > 24 49 F 0.70996232127875 0.97072492603987 0.30088316695613 18.998 > 1 50 F 0.70996232127875 0.97072492603987 0.80088316695613 18.998 > 1 51 F 0.29003767872125 0.97072492603987 0.44911683304387 18.998 > 2 52 F 0.29003767872125 0.97072492603987 0.94911683304387 18.998 > 2 53 F 0.29003767872125 0.02927507396013 0.19911683304387 18.998 > 3 54 F 0.29003767872125 0.02927507396013 0.69911683304387 18.998 > 3 55 F 0.70996232127875 0.02927507396013 0.05088316695613 18.998 > 4 56 F 0.70996232127875 0.02927507396013 0.55088316695613 18.998 > 4 57 F 0.39285596446403 0.79474608483553 0.21630633535411 18.998 > 5 58 F 0.39285596446403 0.79474608483553 0.71630633535411 18.998 > 5 59 F 0.60714403553597 0.79474608483553 0.03369366464589 18.998 > 6 60 F 0.60714403553597 0.79474608483553 0.53369366464589 18.998 > 6 61 F 0.50000000000000 0.89714312668236 0.12500000000000 18.998 > 7 62 F 0.50000000000000 0.89714312668236 0.62500000000000 18.998 > 7 63 F 0.50000000000000 0.10285687331764 0.37500000000000 18.998 > 8 64 F 0.50000000000000 0.10285687331764 0.87500000000000 18.998 > 8 65 F 0.61747187915785 0.12051307324357 0.14028688147565 18.998 > 9 66 F 0.61747187915785 0.12051307324357 0.64028688147565 18.998 > 9 67 F 0.38252812084215 0.12051307324357 0.10971311852435 18.998 > 10 68 F 0.38252812084215 0.12051307324357 0.60971311852435 18.998 > 10 69 F 0.38252812084215 0.87948692675643 0.35971311852435 18.998 > 11 70 F 0.38252812084215 0.87948692675643 0.85971311852435 18.998 > 11 71 F 0.61747187915785 0.87948692675643 0.39028688147565 18.998 > 12 72 F 0.61747187915785 0.87948692675643 0.89028688147565 18.998 > 12 73 F 0.62537461008945 0.34845985877475 0.07743405366868 18.998 > 13 74 F 0.62537461008945 0.34845985877475 0.57743405366868 18.998 > 13 75 F 0.37462538991055 0.34845985877475 0.17256594633132 18.998 > 14 76 F 0.37462538991055 0.34845985877475 0.67256594633132 18.998 > 14 77 F 0.37462538991055 0.65154014122525 0.42256594633132 18.998 > 15 78 F 0.37462538991055 0.65154014122525 0.92256594633132 18.998 > 15 79 F 0.62537461008945 0.65154014122525 0.32743405366868 18.998 > 16 80 F 0.62537461008945 0.65154014122525 0.82743405366868 18.998 > 16 81 F 0.75000000000000 0.25000000000000 0.00000000000000 18.998 > 17 82 F 0.75000000000000 0.25000000000000 0.50000000000000 18.998 > 17 83 F 0.25000000000000 0.25000000000000 0.25000000000000 18.998 > 18 84 F 0.25000000000000 0.25000000000000 0.75000000000000 18.998 > 18 85 F 0.87794382522563 0.94556365151229 0.02088743571133 18.998 > 19 86 F 0.87794382522563 0.94556365151229 0.52088743571133 18.998 > 19 87 F 0.12205617477437 0.94556365151229 0.22911256428867 18.998 > 20 88 F 0.12205617477437 0.94556365151229 0.72911256428867 18.998 > 20 89 F 0.12205617477437 0.05443634848771 0.47911256428867 18.998 > 21 90 F 0.12205617477437 0.05443634848771 0.97911256428867 18.998 > 21 91 F 0.87794382522563 0.05443634848771 0.27088743571133 18.998 > 22 92 F 0.87794382522563 0.05443634848771 0.77088743571133 18.998 > 22 93 F 0.39285596446403 0.20525391516447 0.46630633535411 18.998 > 23 94 F 0.39285596446403 0.20525391516447 0.96630633535411 18.998 > 23 95 F 0.60714403553597 0.20525391516447 0.28369366464589 18.998 > 24 96 F 0.60714403553597 0.20525391516447 0.78369366464589 18.998 > 24 *97 Th 0.00000000000000 0.21261916712844 0.37500000000000 232.038 > 25 98 Th 0.00000000000000 0.21261916712844 0.87500000000000 232.038 > 25 99 Th 0.00000000000000 0.78738083287156 0.12500000000000 232.038 > 26 100 Th 0.00000000000000 0.78738083287156 0.62500000000000 232.038 > 26 *101 Th 0.20365409560780 0.57172695187712 0.41486174579119 232.038 > 27 102 Th 0.20365409560780 0.57172695187712 0.91486174579119 232.038 > 27 103 Th 0.79634590439220 0.57172695187712 0.33513825420881 232.038 > 28 104 Th 0.79634590439220 0.57172695187712 0.83513825420881 232.038 > 28 105 Th 0.79634590439220 0.42827304812288 0.08513825420881 232.038 > 29 106 Th 0.79634590439220 0.42827304812288 0.58513825420881 232.038 > 29 107 Th 0.20365409560780 0.42827304812288 0.16486174579119 232.038 > 30 108 Th 0.20365409560780 0.42827304812288 0.66486174579119 232.038 > 30 109 Th 0.50000000000000 0.71261916712844 0.37500000000000 232.038 > 25 110 Th 0.50000000000000 0.71261916712844 0.87500000000000 232.038 > 25 111 Th 0.50000000000000 0.28738083287156 0.12500000000000 232.038 > 26 112 Th 0.50000000000000 0.28738083287156 0.62500000000000 232.038 > 26 113 Th 0.70365409560780 0.07172695187712 0.41486174579119 232.038 > 27 114 Th 0.70365409560780 0.07172695187712 0.91486174579119 232.038 > 27 115 Th 0.29634590439220 0.07172695187712 0.33513825420881 232.038 > 28 116 Th 0.29634590439220 0.07172695187712 0.83513825420881 232.038 > 28 117 Th 0.29634590439220 0.92827304812288 0.08513825420881 232.038 > 29 118 Th 0.29634590439220 0.92827304812288 0.58513825420881 232.038 > 29 119 Th 0.70365409560780 0.92827304812288 0.16486174579119 232.038 > 30 120 Th 0.70365409560780 0.92827304812288 0.66486174579119 232.038 > 30 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 2.5764674 0.0000000 -0.0693437 0.0000000 2.5797043 0.0000000 -0.0693379 0.0000000 2.5212437 -------------------------- Born effective charges -------------------------- 1 F -1.3446281 0.4380799 0.9971160 0.3711439 -0.9075427 -0.5239859 1.0140978 -0.6200889 -1.9587054 2 F -1.3446281 -0.4380799 0.9971160 -0.3711439 -0.9075427 0.5239859 1.0140978 0.6200889 -1.9587054 3 F -1.3446281 0.4380799 0.9971160 0.3711439 -0.9075427 -0.5239859 1.0140978 -0.6200889 -1.9587054 4 F -1.3446281 -0.4380799 0.9971160 -0.3711439 -0.9075427 0.5239859 1.0140978 0.6200889 -1.9587054 5 F -0.6444217 -0.0855626 0.1194878 -0.0777784 -1.2369237 0.9444100 0.1201298 0.9838176 -2.2618058 6 F -0.6444217 0.0855626 0.1194878 0.0777784 -1.2369237 -0.9444100 0.1201298 -0.9838176 -2.2618058 7 F -2.7294866 0.0000000 -0.4592075 0.0000000 -0.6304616 0.0000000 -0.4823747 0.0000000 -0.7547214 8 F -2.7294866 0.0000000 -0.4592075 0.0000000 -0.6304616 0.0000000 -0.4823747 0.0000000 -0.7547214 9 F -1.1986583 0.9828636 -0.1129852 0.8960062 -2.2569769 0.2086828 -0.1114483 0.2140171 -0.6658574 10 F -1.1986583 -0.9828636 -0.1129852 -0.8960062 -2.2569769 -0.2086828 -0.1114483 -0.2140171 -0.6658574 11 F -1.1986583 0.9828636 -0.1129852 0.8960062 -2.2569769 0.2086828 -0.1114483 0.2140171 -0.6658574 12 F -1.1986583 -0.9828636 -0.1129852 -0.8960062 -2.2569769 -0.2086828 -0.1114483 -0.2140171 -0.6658574 13 F -2.6836544 -0.7510169 0.2808659 -0.8974288 -0.9413827 0.0994772 0.2313487 0.0640541 -0.6662540 14 F -2.6836544 0.7510169 0.2808659 0.8974288 -0.9413827 -0.0994772 0.2313487 -0.0640541 -0.6662540 15 F -2.6836544 -0.7510169 0.2808659 -0.8974288 -0.9413827 0.0994772 0.2313487 0.0640541 -0.6662540 16 F -2.6836544 0.7510169 0.2808659 0.8974288 -0.9413827 -0.0994772 0.2313487 -0.0640541 -0.6662540 17 F -0.6187538 0.1469185 0.1615286 0.2052727 -2.5152843 -1.1794782 0.2102367 -1.1458568 -1.2640904 18 F -0.6187538 -0.1469185 0.1615286 -0.2052727 -2.5152843 1.1794782 0.2102367 1.1458568 -1.2640904 19 F -1.0013128 0.6020364 -0.5676791 0.5735821 -1.7083916 1.0336518 -0.5471284 1.0436837 -1.5423699 20 F -1.0013128 -0.6020364 -0.5676791 -0.5735821 -1.7083916 -1.0336518 -0.5471284 -1.0436837 -1.5423699 21 F -1.0013128 0.6020364 -0.5676791 0.5735821 -1.7083916 1.0336518 -0.5471284 1.0436837 -1.5423699 22 F -1.0013128 -0.6020364 -0.5676791 -0.5735821 -1.7083916 -1.0336518 -0.5471284 -1.0436837 -1.5423699 23 F -0.6444217 0.0855626 0.1194878 0.0777784 -1.2369237 -0.9444100 0.1201298 -0.9838176 -2.2618058 24 F -0.6444217 -0.0855626 0.1194878 -0.0777784 -1.2369237 0.9444100 0.1201298 0.9838176 -2.2618058 25 Th 5.5163146 0.0000000 -0.1248509 0.0000000 5.9417739 0.0000000 0.0021454 0.0000000 5.3215763 26 Th 5.5163146 0.0000000 -0.1248509 0.0000000 5.9417739 0.0000000 0.0021454 0.0000000 5.3215763 27 Th 5.7886383 0.2722800 -0.5055405 0.2906665 5.6532037 -0.2246629 -0.5720032 -0.1954099 5.4436101 28 Th 5.7886383 -0.2722800 -0.5055405 -0.2906665 5.6532037 0.2246629 -0.5720032 0.1954099 5.4436101 29 Th 5.7886383 0.2722800 -0.5055405 0.2906665 5.6532037 -0.2246629 -0.5720032 -0.1954099 5.4436101 30 Th 5.7886383 -0.2722800 -0.5055405 -0.2906665 5.6532037 0.2246629 -0.5720032 0.1954099 5.4436101 ---------------------------------------------------------------------------- Displacement-force dataset was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". -------------------------------- Symfc start ------------------------------- Symfc version 1.5.4 (https://github.com/symfc/symfc) Citation: A. Seko and A. Togo, Phys. Rev. B, 110, 214302 (2024) Computing [2] order force constants. Permutation basis: 360/360 Permutation basis: 21798/21798 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 4198 Number of blocks in projector: 4198 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: 910 Use submatrix version of eigh solver. (1) Block: 500 / 910 (2) Block: 250 / 500 (2) 233 eigenvectors found. (2) Block: 500 / 500 (2) 235 eigenvectors found. (2) Complementary block size: 32 (2) Compute compressed projector. (2) Use standard solver. (2) 15 eigenvectors found. (1) 483 eigenvectors found. (1) Block: 910 / 910 (1) 397 eigenvectors found. (1) Complementary block size: 30 (1) Compute compressed projector. (1) Use standard solver. (1) 13 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 894 Use submatrix version of eigh solver. (1) Block: 500 / 894 (2) Block: 250 / 500 (2) 236 eigenvectors found. (2) Block: 500 / 500 (2) 238 eigenvectors found. (2) Complementary block size: 26 (2) Compute compressed projector. (2) Use standard solver. (2) 12 eigenvectors found. (1) 486 eigenvectors found. (1) Block: 894 / 894 (1) 381 eigenvectors found. (1) Complementary block size: 27 (1) Compute compressed projector. (1) Use standard solver. (1) 13 eigenvectors found. --- Eigsh_solver_block: 3 / 6 --- Block_size: 894 Use submatrix version of eigh solver. (1) Block: 500 / 894 (2) Block: 250 / 500 (2) 236 eigenvectors found. (2) Block: 500 / 500 (2) 238 eigenvectors found. (2) Complementary block size: 26 (2) Compute compressed projector. (2) Use standard solver. (2) 12 eigenvectors found. (1) 486 eigenvectors found. (1) Block: 894 / 894 (1) 381 eigenvectors found. (1) Complementary block size: 27 (1) Compute compressed projector. (1) Use standard solver. (1) 13 eigenvectors found. --- Eigsh_solver_block: 4 / 6 --- Block_size: 500 Use submatrix version of eigh solver. (1) Block: 500 / 500 (2) Block: 250 / 500 (2) 241 eigenvectors found. (2) Block: 500 / 500 (2) 241 eigenvectors found. (2) Complementary block size: 18 (2) Compute compressed projector. (2) Use standard solver. (2) 9 eigenvectors found. (1) 491 eigenvectors found. (1) Complementary block size: 8 (1) Compute compressed projector. (1) Use standard solver. (1) 0 eigenvectors found. --- Eigsh_solver_block: 5 / 6 --- Block_size: 500 Use submatrix version of eigh solver. (1) Block: 500 / 500 (2) Block: 250 / 500 (2) 241 eigenvectors found. (2) Block: 500 / 500 (2) 241 eigenvectors found. (2) Complementary block size: 18 (2) Compute compressed projector. (2) Use standard solver. (2) 9 eigenvectors found. (1) 491 eigenvectors found. (1) Complementary block size: 8 (1) Compute compressed projector. (1) Use standard solver. (1) 0 eigenvectors found. --- Eigsh_solver_block: 6 / 6 --- Block_size: 500 Use submatrix version of eigh solver. (1) Block: 500 / 500 (2) Block: 250 / 500 (2) 241 eigenvectors found. (2) Block: 500 / 500 (2) 241 eigenvectors found. (2) Complementary block size: 18 (2) Compute compressed projector. (2) Use standard solver. (2) 9 eigenvectors found. (1) 491 eigenvectors found. (1) Complementary block size: 8 (1) Compute compressed projector. (1) Use standard solver. (1) 0 eigenvectors found. Tree of FC basis block matrices: - (4198, 4126), data: False |-- (500, 491), data: False |-- (500, 491), data: False |-- (500, 9), data: (500, 18) @ (18, 9) |-- (250, 241), data: True |-- (250, 241), data: True |-- (500, 491), data: False |-- (500, 491), data: False |-- (500, 9), data: (500, 18) @ (18, 9) |-- (250, 241), data: True |-- (250, 241), data: True |-- (500, 491), data: False |-- (500, 491), data: False |-- (500, 9), data: (500, 18) @ (18, 9) |-- (250, 241), data: True |-- (250, 241), data: True |-- (894, 880), data: False |-- (894, 13), data: (894, 27) @ (27, 13) |-- (394, 381), data: True |-- (500, 486), data: False |-- (500, 12), data: (500, 26) @ (26, 12) |-- (250, 238), data: True |-- (250, 236), data: True |-- (894, 880), data: False |-- (894, 13), data: (894, 27) @ (27, 13) |-- (394, 381), data: True |-- (500, 486), data: False |-- (500, 12), data: (500, 26) @ (26, 12) |-- (250, 238), data: True |-- (250, 236), data: True |-- (910, 893), data: False |-- (910, 13), data: (910, 30) @ (30, 13) |-- (410, 397), data: True |-- (500, 483), data: False |-- (500, 15), data: (500, 32) @ (32, 15) |-- (250, 235), data: True |-- (250, 233), data: True ----- Solver_atoms: 1 -- 120 / 120 Time (Solver_compr_matrix_reshape): 0.011 Solver_block: 100 / 960 - Time: 1.309 Solver_block: 200 / 960 - Time: 1.506 Solver_block: 300 / 960 - Time: 2.037 Solver_block: 400 / 960 - Time: 1.112 Solver_block: 500 / 960 - Time: 2.261 Solver_block: 600 / 960 - Time: 1.317 Solver_block: 700 / 960 - Time: 1.227 Solver_block: 800 / 960 - Time: 2.490 Solver_block: 900 / 960 - Time: 1.099 Solver_block: 960 / 960 - Time: 1.150 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 16.329 --------------------------------- Symfc end -------------------------------- Max drift of force constants: 0.00000000 (xx) 0.00000000 (xx) Permutation basis: 360/360 Permutation basis: 21798/21798 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 4198 Number of blocks in projector: 4198 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: 910 Use submatrix version of eigh solver. (1) Block: 500 / 910 (2) Block: 250 / 500 (2) 233 eigenvectors found. (2) Block: 500 / 500 (2) 235 eigenvectors found. (2) Complementary block size: 32 (2) Compute compressed projector. (2) Use standard solver. (2) 15 eigenvectors found. (1) 483 eigenvectors found. (1) Block: 910 / 910 (1) 397 eigenvectors found. (1) Complementary block size: 30 (1) Compute compressed projector. (1) Use standard solver. (1) 13 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 894 Use submatrix version of eigh solver. (1) Block: 500 / 894 (2) Block: 250 / 500 (2) 236 eigenvectors found. (2) Block: 500 / 500 (2) 238 eigenvectors found. (2) Complementary block size: 26 (2) Compute compressed projector. (2) Use standard solver. (2) 12 eigenvectors found. (1) 486 eigenvectors found. (1) Block: 894 / 894 (1) 381 eigenvectors found. (1) Complementary block size: 27 (1) Compute compressed projector. (1) Use standard solver. (1) 13 eigenvectors found. --- Eigsh_solver_block: 3 / 6 --- Block_size: 894 Use submatrix version of eigh solver. (1) Block: 500 / 894 (2) Block: 250 / 500 (2) 236 eigenvectors found. (2) Block: 500 / 500 (2) 238 eigenvectors found. (2) Complementary block size: 26 (2) Compute compressed projector. (2) Use standard solver. (2) 12 eigenvectors found. (1) 486 eigenvectors found. (1) Block: 894 / 894 (1) 381 eigenvectors found. (1) Complementary block size: 27 (1) Compute compressed projector. (1) Use standard solver. (1) 13 eigenvectors found. --- Eigsh_solver_block: 4 / 6 --- Block_size: 500 Use submatrix version of eigh solver. (1) Block: 500 / 500 (2) Block: 250 / 500 (2) 241 eigenvectors found. (2) Block: 500 / 500 (2) 241 eigenvectors found. (2) Complementary block size: 18 (2) Compute compressed projector. (2) Use standard solver. (2) 9 eigenvectors found. (1) 491 eigenvectors found. (1) Complementary block size: 8 (1) Compute compressed projector. (1) Use standard solver. (1) 0 eigenvectors found. --- Eigsh_solver_block: 5 / 6 --- Block_size: 500 Use submatrix version of eigh solver. (1) Block: 500 / 500 (2) Block: 250 / 500 (2) 241 eigenvectors found. (2) Block: 500 / 500 (2) 241 eigenvectors found. (2) Complementary block size: 18 (2) Compute compressed projector. (2) Use standard solver. (2) 9 eigenvectors found. (1) 491 eigenvectors found. (1) Complementary block size: 8 (1) Compute compressed projector. (1) Use standard solver. (1) 0 eigenvectors found. --- Eigsh_solver_block: 6 / 6 --- Block_size: 500 Use submatrix version of eigh solver. (1) Block: 500 / 500 (2) Block: 250 / 500 (2) 241 eigenvectors found. (2) Block: 500 / 500 (2) 241 eigenvectors found. (2) Complementary block size: 18 (2) Compute compressed projector. (2) Use standard solver. (2) 9 eigenvectors found. (1) 491 eigenvectors found. (1) Complementary block size: 8 (1) Compute compressed projector. (1) Use standard solver. (1) 0 eigenvectors found. Tree of FC basis block matrices: - (4198, 4126), data: False |-- (500, 491), data: False |-- (500, 491), data: False |-- (500, 9), data: (500, 18) @ (18, 9) |-- (250, 241), data: True |-- (250, 241), data: True |-- (500, 491), data: False |-- (500, 491), data: False |-- (500, 9), data: (500, 18) @ (18, 9) |-- (250, 241), data: True |-- (250, 241), data: True |-- (500, 491), data: False |-- (500, 491), data: False |-- (500, 9), data: (500, 18) @ (18, 9) |-- (250, 241), data: True |-- (250, 241), data: True |-- (894, 880), data: False |-- (894, 13), data: (894, 27) @ (27, 13) |-- (394, 381), data: True |-- (500, 486), data: False |-- (500, 12), data: (500, 26) @ (26, 12) |-- (250, 238), data: True |-- (250, 236), data: True |-- (894, 880), data: False |-- (894, 13), data: (894, 27) @ (27, 13) |-- (394, 381), data: True |-- (500, 486), data: False |-- (500, 12), data: (500, 26) @ (26, 12) |-- (250, 238), data: True |-- (250, 236), data: True |-- (910, 893), data: False |-- (910, 13), data: (910, 30) @ (30, 13) |-- (410, 397), data: True |-- (500, 483), data: False |-- (500, 15), data: (500, 32) @ (32, 15) |-- (250, 235), data: True |-- (250, 233), data: True Max drift after symmetrization by symfc projector: 0.00000000 (xx) 0.00000000 (xx) Force constants are written into "force_constants.hdf5". ---------------------------------------------------------------------------- One of the following run modes may be specified for phonon calculations. - Mesh sampling (MESH, --mesh) - Q-points (QPOINTS, --qpoints) - Band structure (BAND, --band) - Animation (ANIME, --anime) - Modulation (MODULATION, --modulation) - Characters of Irreps (IRREPS, --irreps) - Create displacements (CREATE_DISPLACEMENTS, -d) ---------------------------------------------------------------------------- Summary of calculation was written in "phonopy.yaml". -------------------------[time 2026-01-08 08:53:41]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 08:53:42]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: force constants HDF5 data compression filter: gzip Crystal structure was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". Supercell (dim): [1 1 2] Primitive matrix: [ 0.5 0.5 -0. ] [-0.5 0.5 0. ] [0. 0. 1.] Spacegroup: C2/c (15) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 6.516557160000368 -5.492375450000000 0.000000000000000 b 6.516557160000368 5.492375450000000 0.000000000000000 c -5.029969447258883 0.000000000000000 6.881181943452881 Atomic positions (fractional): 1 F 0.73923739523888 0.68068724731862 0.60176633391226 18.998 2 F 0.31931275268137 0.26076260476112 0.89823366608774 18.998 3 F 0.26076260476112 0.31931275268138 0.39823366608774 18.998 4 F 0.68068724731863 0.73923739523888 0.10176633391226 18.998 5 F 0.59810987962849 0.18760204929956 0.43261267070822 18.998 6 F 0.81239795070044 0.40189012037151 0.06738732929178 18.998 7 F 0.60285687331764 0.39714312668236 0.25000000000000 18.998 8 F 0.39714312668236 0.60285687331764 0.75000000000000 18.998 9 F 0.49695880591429 0.73798495240142 0.28057376295130 18.998 10 F 0.26201504759858 0.50304119408571 0.21942623704870 18.998 11 F 0.50304119408571 0.26201504759858 0.71942623704870 18.998 12 F 0.73798495240142 0.49695880591429 0.78057376295130 18.998 13 F 0.27691475131470 0.97383446886421 0.15486810733736 18.998 14 F 0.02616553113579 0.72308524868530 0.34513189266264 18.998 15 F 0.72308524868530 0.02616553113579 0.84513189266264 18.998 16 F 0.97383446886421 0.27691475131470 0.65486810733736 18.998 17 F 0.50000000000000 0.00000000000000 0.00000000000000 18.998 18 F 0.00000000000000 0.50000000000000 0.50000000000000 18.998 19 F 0.93238017371334 0.82350747673792 0.04177487142267 18.998 20 F 0.17649252326208 0.06761982628666 0.45822512857733 18.998 21 F 0.06761982628666 0.17649252326208 0.95822512857733 18.998 22 F 0.82350747673792 0.93238017371334 0.54177487142267 18.998 23 F 0.18760204929956 0.59810987962849 0.93261267070822 18.998 24 F 0.40189012037151 0.81239795070044 0.56738732929178 18.998 25 Th 0.78738083287156 0.21261916712844 0.75000000000000 232.038 26 Th 0.21261916712844 0.78738083287156 0.25000000000000 232.038 27 Th 0.63192714373068 0.77538104748492 0.82972349158239 232.038 28 Th 0.22461895251508 0.36807285626932 0.67027650841761 232.038 29 Th 0.36807285626932 0.22461895251508 0.17027650841761 232.038 30 Th 0.77538104748492 0.63192714373068 0.32972349158239 232.038 -------------------------------- supercell --------------------------------- Lattice vectors: a 13.033114320000736 0.000000000000000 0.000000000000000 b 0.000000000000000 10.984750900000000 0.000000000000000 c -10.059938894517765 0.000000000000000 13.762363886905762 Atomic positions (fractional): 1 F 0.20996232127875 0.47072492603987 0.30088316695613 18.998 > 1 2 F 0.20996232127875 0.47072492603987 0.80088316695613 18.998 > 1 3 F 0.79003767872125 0.47072492603987 0.44911683304387 18.998 > 3 4 F 0.79003767872125 0.47072492603987 0.94911683304387 18.998 > 3 5 F 0.79003767872125 0.52927507396013 0.19911683304387 18.998 > 5 6 F 0.79003767872125 0.52927507396013 0.69911683304387 18.998 > 5 7 F 0.20996232127875 0.52927507396013 0.05088316695613 18.998 > 7 8 F 0.20996232127875 0.52927507396013 0.55088316695613 18.998 > 7 9 F 0.89285596446403 0.29474608483553 0.21630633535411 18.998 > 9 10 F 0.89285596446403 0.29474608483553 0.71630633535411 18.998 > 9 11 F 0.10714403553597 0.29474608483553 0.03369366464589 18.998 > 11 12 F 0.10714403553597 0.29474608483553 0.53369366464589 18.998 > 11 13 F 0.00000000000000 0.39714312668236 0.12500000000000 18.998 > 13 14 F 0.00000000000000 0.39714312668236 0.62500000000000 18.998 > 13 15 F 0.00000000000000 0.60285687331764 0.37500000000000 18.998 > 15 16 F 0.00000000000000 0.60285687331764 0.87500000000000 18.998 > 15 17 F 0.11747187915785 0.62051307324357 0.14028688147565 18.998 > 17 18 F 0.11747187915785 0.62051307324357 0.64028688147565 18.998 > 17 19 F 0.88252812084215 0.62051307324357 0.10971311852435 18.998 > 19 20 F 0.88252812084215 0.62051307324357 0.60971311852435 18.998 > 19 21 F 0.88252812084215 0.37948692675643 0.35971311852435 18.998 > 21 22 F 0.88252812084215 0.37948692675643 0.85971311852435 18.998 > 21 23 F 0.11747187915785 0.37948692675643 0.39028688147565 18.998 > 23 24 F 0.11747187915785 0.37948692675643 0.89028688147565 18.998 > 23 25 F 0.12537461008945 0.84845985877475 0.07743405366868 18.998 > 25 26 F 0.12537461008945 0.84845985877475 0.57743405366868 18.998 > 25 27 F 0.87462538991055 0.84845985877475 0.17256594633132 18.998 > 27 28 F 0.87462538991055 0.84845985877475 0.67256594633132 18.998 > 27 29 F 0.87462538991055 0.15154014122525 0.42256594633132 18.998 > 29 30 F 0.87462538991055 0.15154014122525 0.92256594633132 18.998 > 29 31 F 0.12537461008945 0.15154014122525 0.32743405366868 18.998 > 31 32 F 0.12537461008945 0.15154014122525 0.82743405366868 18.998 > 31 33 F 0.25000000000000 0.75000000000000 0.00000000000000 18.998 > 33 34 F 0.25000000000000 0.75000000000000 0.50000000000000 18.998 > 33 35 F 0.75000000000000 0.75000000000000 0.25000000000000 18.998 > 35 36 F 0.75000000000000 0.75000000000000 0.75000000000000 18.998 > 35 37 F 0.37794382522563 0.44556365151229 0.02088743571133 18.998 > 37 38 F 0.37794382522563 0.44556365151229 0.52088743571133 18.998 > 37 39 F 0.62205617477437 0.44556365151229 0.22911256428867 18.998 > 39 40 F 0.62205617477437 0.44556365151229 0.72911256428867 18.998 > 39 41 F 0.62205617477437 0.55443634848771 0.47911256428867 18.998 > 41 42 F 0.62205617477437 0.55443634848771 0.97911256428867 18.998 > 41 43 F 0.37794382522563 0.55443634848771 0.27088743571133 18.998 > 43 44 F 0.37794382522563 0.55443634848771 0.77088743571133 18.998 > 43 45 F 0.89285596446403 0.70525391516447 0.46630633535411 18.998 > 45 46 F 0.89285596446403 0.70525391516447 0.96630633535411 18.998 > 45 47 F 0.10714403553597 0.70525391516447 0.28369366464589 18.998 > 47 48 F 0.10714403553597 0.70525391516447 0.78369366464589 18.998 > 47 49 F 0.70996232127875 0.97072492603987 0.30088316695613 18.998 > 1 50 F 0.70996232127875 0.97072492603987 0.80088316695613 18.998 > 1 51 F 0.29003767872125 0.97072492603987 0.44911683304387 18.998 > 3 52 F 0.29003767872125 0.97072492603987 0.94911683304387 18.998 > 3 53 F 0.29003767872125 0.02927507396013 0.19911683304387 18.998 > 5 54 F 0.29003767872125 0.02927507396013 0.69911683304387 18.998 > 5 55 F 0.70996232127875 0.02927507396013 0.05088316695613 18.998 > 7 56 F 0.70996232127875 0.02927507396013 0.55088316695613 18.998 > 7 57 F 0.39285596446403 0.79474608483553 0.21630633535411 18.998 > 9 58 F 0.39285596446403 0.79474608483553 0.71630633535411 18.998 > 9 59 F 0.60714403553597 0.79474608483553 0.03369366464589 18.998 > 11 60 F 0.60714403553597 0.79474608483553 0.53369366464589 18.998 > 11 61 F 0.50000000000000 0.89714312668236 0.12500000000000 18.998 > 13 62 F 0.50000000000000 0.89714312668236 0.62500000000000 18.998 > 13 63 F 0.50000000000000 0.10285687331764 0.37500000000000 18.998 > 15 64 F 0.50000000000000 0.10285687331764 0.87500000000000 18.998 > 15 65 F 0.61747187915785 0.12051307324357 0.14028688147565 18.998 > 17 66 F 0.61747187915785 0.12051307324357 0.64028688147565 18.998 > 17 67 F 0.38252812084215 0.12051307324357 0.10971311852435 18.998 > 19 68 F 0.38252812084215 0.12051307324357 0.60971311852435 18.998 > 19 69 F 0.38252812084215 0.87948692675643 0.35971311852435 18.998 > 21 70 F 0.38252812084215 0.87948692675643 0.85971311852435 18.998 > 21 71 F 0.61747187915785 0.87948692675643 0.39028688147565 18.998 > 23 72 F 0.61747187915785 0.87948692675643 0.89028688147565 18.998 > 23 73 F 0.62537461008945 0.34845985877475 0.07743405366868 18.998 > 25 74 F 0.62537461008945 0.34845985877475 0.57743405366868 18.998 > 25 75 F 0.37462538991055 0.34845985877475 0.17256594633132 18.998 > 27 76 F 0.37462538991055 0.34845985877475 0.67256594633132 18.998 > 27 77 F 0.37462538991055 0.65154014122525 0.42256594633132 18.998 > 29 78 F 0.37462538991055 0.65154014122525 0.92256594633132 18.998 > 29 79 F 0.62537461008945 0.65154014122525 0.32743405366868 18.998 > 31 80 F 0.62537461008945 0.65154014122525 0.82743405366868 18.998 > 31 81 F 0.75000000000000 0.25000000000000 0.00000000000000 18.998 > 33 82 F 0.75000000000000 0.25000000000000 0.50000000000000 18.998 > 33 83 F 0.25000000000000 0.25000000000000 0.25000000000000 18.998 > 35 84 F 0.25000000000000 0.25000000000000 0.75000000000000 18.998 > 35 85 F 0.87794382522563 0.94556365151229 0.02088743571133 18.998 > 37 86 F 0.87794382522563 0.94556365151229 0.52088743571133 18.998 > 37 87 F 0.12205617477437 0.94556365151229 0.22911256428867 18.998 > 39 88 F 0.12205617477437 0.94556365151229 0.72911256428867 18.998 > 39 89 F 0.12205617477437 0.05443634848771 0.47911256428867 18.998 > 41 90 F 0.12205617477437 0.05443634848771 0.97911256428867 18.998 > 41 91 F 0.87794382522563 0.05443634848771 0.27088743571133 18.998 > 43 92 F 0.87794382522563 0.05443634848771 0.77088743571133 18.998 > 43 93 F 0.39285596446403 0.20525391516447 0.46630633535411 18.998 > 45 94 F 0.39285596446403 0.20525391516447 0.96630633535411 18.998 > 45 95 F 0.60714403553597 0.20525391516447 0.28369366464589 18.998 > 47 96 F 0.60714403553597 0.20525391516447 0.78369366464589 18.998 > 47 97 Th 0.00000000000000 0.21261916712844 0.37500000000000 232.038 > 97 98 Th 0.00000000000000 0.21261916712844 0.87500000000000 232.038 > 97 99 Th 0.00000000000000 0.78738083287156 0.12500000000000 232.038 > 99 100 Th 0.00000000000000 0.78738083287156 0.62500000000000 232.038 > 99 101 Th 0.20365409560780 0.57172695187712 0.41486174579119 232.038 > 101 102 Th 0.20365409560780 0.57172695187712 0.91486174579119 232.038 > 101 103 Th 0.79634590439220 0.57172695187712 0.33513825420881 232.038 > 103 104 Th 0.79634590439220 0.57172695187712 0.83513825420881 232.038 > 103 105 Th 0.79634590439220 0.42827304812288 0.08513825420881 232.038 > 105 106 Th 0.79634590439220 0.42827304812288 0.58513825420881 232.038 > 105 107 Th 0.20365409560780 0.42827304812288 0.16486174579119 232.038 > 107 108 Th 0.20365409560780 0.42827304812288 0.66486174579119 232.038 > 107 109 Th 0.50000000000000 0.71261916712844 0.37500000000000 232.038 > 97 110 Th 0.50000000000000 0.71261916712844 0.87500000000000 232.038 > 97 111 Th 0.50000000000000 0.28738083287156 0.12500000000000 232.038 > 99 112 Th 0.50000000000000 0.28738083287156 0.62500000000000 232.038 > 99 113 Th 0.70365409560780 0.07172695187712 0.41486174579119 232.038 > 101 114 Th 0.70365409560780 0.07172695187712 0.91486174579119 232.038 > 101 115 Th 0.29634590439220 0.07172695187712 0.33513825420881 232.038 > 103 116 Th 0.29634590439220 0.07172695187712 0.83513825420881 232.038 > 103 117 Th 0.29634590439220 0.92827304812288 0.08513825420881 232.038 > 105 118 Th 0.29634590439220 0.92827304812288 0.58513825420881 232.038 > 105 119 Th 0.70365409560780 0.92827304812288 0.16486174579119 232.038 > 107 120 Th 0.70365409560780 0.92827304812288 0.66486174579119 232.038 > 107 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 2.5764674 0.0000000 -0.0693437 0.0000000 2.5797043 0.0000000 -0.0693379 0.0000000 2.5212437 -------------------------- Born effective charges -------------------------- 1 F -1.3446281 0.4380799 0.9971160 0.3711439 -0.9075427 -0.5239859 1.0140978 -0.6200889 -1.9587054 2 F -1.3446281 -0.4380799 0.9971160 -0.3711439 -0.9075427 0.5239859 1.0140978 0.6200889 -1.9587054 3 F -1.3446281 0.4380799 0.9971160 0.3711439 -0.9075427 -0.5239859 1.0140978 -0.6200889 -1.9587054 4 F -1.3446281 -0.4380799 0.9971160 -0.3711439 -0.9075427 0.5239859 1.0140978 0.6200889 -1.9587054 5 F -0.6444217 -0.0855626 0.1194878 -0.0777784 -1.2369237 0.9444100 0.1201298 0.9838176 -2.2618058 6 F -0.6444217 0.0855626 0.1194878 0.0777784 -1.2369237 -0.9444100 0.1201298 -0.9838176 -2.2618058 7 F -2.7294866 0.0000000 -0.4592075 0.0000000 -0.6304616 0.0000000 -0.4823747 0.0000000 -0.7547214 8 F -2.7294866 0.0000000 -0.4592075 0.0000000 -0.6304616 0.0000000 -0.4823747 0.0000000 -0.7547214 9 F -1.1986583 0.9828636 -0.1129852 0.8960062 -2.2569769 0.2086828 -0.1114483 0.2140171 -0.6658574 10 F -1.1986583 -0.9828636 -0.1129852 -0.8960062 -2.2569769 -0.2086828 -0.1114483 -0.2140171 -0.6658574 11 F -1.1986583 0.9828636 -0.1129852 0.8960062 -2.2569769 0.2086828 -0.1114483 0.2140171 -0.6658574 12 F -1.1986583 -0.9828636 -0.1129852 -0.8960062 -2.2569769 -0.2086828 -0.1114483 -0.2140171 -0.6658574 13 F -2.6836544 -0.7510169 0.2808659 -0.8974288 -0.9413827 0.0994772 0.2313487 0.0640541 -0.6662540 14 F -2.6836544 0.7510169 0.2808659 0.8974288 -0.9413827 -0.0994772 0.2313487 -0.0640541 -0.6662540 15 F -2.6836544 -0.7510169 0.2808659 -0.8974288 -0.9413827 0.0994772 0.2313487 0.0640541 -0.6662540 16 F -2.6836544 0.7510169 0.2808659 0.8974288 -0.9413827 -0.0994772 0.2313487 -0.0640541 -0.6662540 17 F -0.6187538 0.1469185 0.1615286 0.2052727 -2.5152843 -1.1794782 0.2102367 -1.1458568 -1.2640904 18 F -0.6187538 -0.1469185 0.1615286 -0.2052727 -2.5152843 1.1794782 0.2102367 1.1458568 -1.2640904 19 F -1.0013128 0.6020364 -0.5676791 0.5735821 -1.7083916 1.0336518 -0.5471284 1.0436837 -1.5423699 20 F -1.0013128 -0.6020364 -0.5676791 -0.5735821 -1.7083916 -1.0336518 -0.5471284 -1.0436837 -1.5423699 21 F -1.0013128 0.6020364 -0.5676791 0.5735821 -1.7083916 1.0336518 -0.5471284 1.0436837 -1.5423699 22 F -1.0013128 -0.6020364 -0.5676791 -0.5735821 -1.7083916 -1.0336518 -0.5471284 -1.0436837 -1.5423699 23 F -0.6444217 0.0855626 0.1194878 0.0777784 -1.2369237 -0.9444100 0.1201298 -0.9838176 -2.2618058 24 F -0.6444217 -0.0855626 0.1194878 -0.0777784 -1.2369237 0.9444100 0.1201298 0.9838176 -2.2618058 25 Th 5.5163146 0.0000000 -0.1248509 0.0000000 5.9417739 0.0000000 0.0021454 0.0000000 5.3215763 26 Th 5.5163146 0.0000000 -0.1248509 0.0000000 5.9417739 0.0000000 0.0021454 0.0000000 5.3215763 27 Th 5.7886383 0.2722800 -0.5055405 0.2906665 5.6532037 -0.2246629 -0.5720032 -0.1954099 5.4436101 28 Th 5.7886383 -0.2722800 -0.5055405 -0.2906665 5.6532037 0.2246629 -0.5720032 0.1954099 5.4436101 29 Th 5.7886383 0.2722800 -0.5055405 0.2906665 5.6532037 -0.2246629 -0.5720032 -0.1954099 5.4436101 30 Th 5.7886383 -0.2722800 -0.5055405 -0.2906665 5.6532037 0.2246629 -0.5720032 0.1954099 5.4436101 ---------------------------------------------------------------------------- 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] [-0.0059 0.0000 0.0081] [ 0.0059 0.0000 -0.0081] Computing fc3[ 9, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0059 0.0000 0.0081] [ 0.0059 0.0000 -0.0081] Computing fc3[ 13, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0059 0.0000 0.0081] [ 0.0059 0.0000 -0.0081] Computing fc3[ 17, 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] [-0.0059 0.0000 0.0081] [ 0.0059 0.0000 -0.0081] Computing fc3[ 25, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0059 0.0000 0.0081] [ 0.0059 0.0000 -0.0081] 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] [-0.0059 0.0000 0.0081] [ 0.0059 0.0000 -0.0081] Computing fc3[ 37, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0059 0.0000 0.0081] [ 0.0059 0.0000 -0.0081] 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] [-0.0059 0.0000 0.0081] [ 0.0059 0.0000 -0.0081] Computing fc3[ 101, 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] [-0.0059 0.0000 0.0081] [ 0.0059 0.0000 -0.0081] Expanding fc3. Symmetrizing fc3 by traditional approach (N=3). Symmetrizing fc2 by traditional approach (N=3). Max drift of fc3: -0.00000001 (xxx) -0.00000001 (xxx) -0.00000001 (xxx) fc3 was written into "fc3.hdf5". Max drift of fc2: -0.00000001 (zx) -0.00000001 (zx) 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 08:54:28]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 08:54:29]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: conductivity-RTA HDF5 data compression filter: gzip Crystal structure was read from "phono3py.yaml". Supercell (dim): [1 1 2] Primitive matrix: [ 0.5 0.5 -0. ] [-0.5 0.5 0. ] [0. 0. 1.] Spacegroup: C2/c (15) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 6.516557160000368 -5.492375450000000 0.000000000000000 b 6.516557160000368 5.492375450000000 0.000000000000000 c -5.029969447258883 0.000000000000000 6.881181943452881 Atomic positions (fractional): 1 F 0.73923739523888 0.68068724731862 0.60176633391226 18.998 2 F 0.31931275268137 0.26076260476112 0.89823366608774 18.998 3 F 0.26076260476112 0.31931275268138 0.39823366608774 18.998 4 F 0.68068724731863 0.73923739523888 0.10176633391226 18.998 5 F 0.59810987962849 0.18760204929956 0.43261267070822 18.998 6 F 0.81239795070044 0.40189012037151 0.06738732929178 18.998 7 F 0.60285687331764 0.39714312668236 0.25000000000000 18.998 8 F 0.39714312668236 0.60285687331764 0.75000000000000 18.998 9 F 0.49695880591429 0.73798495240142 0.28057376295130 18.998 10 F 0.26201504759858 0.50304119408571 0.21942623704870 18.998 11 F 0.50304119408571 0.26201504759858 0.71942623704870 18.998 12 F 0.73798495240142 0.49695880591429 0.78057376295130 18.998 13 F 0.27691475131470 0.97383446886421 0.15486810733736 18.998 14 F 0.02616553113579 0.72308524868530 0.34513189266264 18.998 15 F 0.72308524868530 0.02616553113579 0.84513189266264 18.998 16 F 0.97383446886421 0.27691475131470 0.65486810733736 18.998 17 F 0.50000000000000 0.00000000000000 0.00000000000000 18.998 18 F 0.00000000000000 0.50000000000000 0.50000000000000 18.998 19 F 0.93238017371334 0.82350747673792 0.04177487142267 18.998 20 F 0.17649252326208 0.06761982628666 0.45822512857733 18.998 21 F 0.06761982628666 0.17649252326208 0.95822512857733 18.998 22 F 0.82350747673792 0.93238017371334 0.54177487142267 18.998 23 F 0.18760204929956 0.59810987962849 0.93261267070822 18.998 24 F 0.40189012037151 0.81239795070044 0.56738732929178 18.998 25 Th 0.78738083287156 0.21261916712844 0.75000000000000 232.038 26 Th 0.21261916712844 0.78738083287156 0.25000000000000 232.038 27 Th 0.63192714373068 0.77538104748492 0.82972349158239 232.038 28 Th 0.22461895251508 0.36807285626932 0.67027650841761 232.038 29 Th 0.36807285626932 0.22461895251508 0.17027650841761 232.038 30 Th 0.77538104748492 0.63192714373068 0.32972349158239 232.038 -------------------------------- supercell --------------------------------- Lattice vectors: a 13.033114320000736 0.000000000000000 0.000000000000000 b 0.000000000000000 10.984750900000000 0.000000000000000 c -10.059938894517765 0.000000000000000 13.762363886905762 Atomic positions (fractional): 1 F 0.20996232127875 0.47072492603987 0.30088316695613 18.998 > 1 2 F 0.20996232127875 0.47072492603987 0.80088316695613 18.998 > 1 3 F 0.79003767872125 0.47072492603987 0.44911683304387 18.998 > 3 4 F 0.79003767872125 0.47072492603987 0.94911683304387 18.998 > 3 5 F 0.79003767872125 0.52927507396013 0.19911683304387 18.998 > 5 6 F 0.79003767872125 0.52927507396013 0.69911683304387 18.998 > 5 7 F 0.20996232127875 0.52927507396013 0.05088316695613 18.998 > 7 8 F 0.20996232127875 0.52927507396013 0.55088316695613 18.998 > 7 9 F 0.89285596446403 0.29474608483553 0.21630633535411 18.998 > 9 10 F 0.89285596446403 0.29474608483553 0.71630633535411 18.998 > 9 11 F 0.10714403553597 0.29474608483553 0.03369366464589 18.998 > 11 12 F 0.10714403553597 0.29474608483553 0.53369366464589 18.998 > 11 13 F 0.00000000000000 0.39714312668236 0.12500000000000 18.998 > 13 14 F 0.00000000000000 0.39714312668236 0.62500000000000 18.998 > 13 15 F 0.00000000000000 0.60285687331764 0.37500000000000 18.998 > 15 16 F 0.00000000000000 0.60285687331764 0.87500000000000 18.998 > 15 17 F 0.11747187915785 0.62051307324357 0.14028688147565 18.998 > 17 18 F 0.11747187915785 0.62051307324357 0.64028688147565 18.998 > 17 19 F 0.88252812084215 0.62051307324357 0.10971311852435 18.998 > 19 20 F 0.88252812084215 0.62051307324357 0.60971311852435 18.998 > 19 21 F 0.88252812084215 0.37948692675643 0.35971311852435 18.998 > 21 22 F 0.88252812084215 0.37948692675643 0.85971311852435 18.998 > 21 23 F 0.11747187915785 0.37948692675643 0.39028688147565 18.998 > 23 24 F 0.11747187915785 0.37948692675643 0.89028688147565 18.998 > 23 25 F 0.12537461008945 0.84845985877475 0.07743405366868 18.998 > 25 26 F 0.12537461008945 0.84845985877475 0.57743405366868 18.998 > 25 27 F 0.87462538991055 0.84845985877475 0.17256594633132 18.998 > 27 28 F 0.87462538991055 0.84845985877475 0.67256594633132 18.998 > 27 29 F 0.87462538991055 0.15154014122525 0.42256594633132 18.998 > 29 30 F 0.87462538991055 0.15154014122525 0.92256594633132 18.998 > 29 31 F 0.12537461008945 0.15154014122525 0.32743405366868 18.998 > 31 32 F 0.12537461008945 0.15154014122525 0.82743405366868 18.998 > 31 33 F 0.25000000000000 0.75000000000000 0.00000000000000 18.998 > 33 34 F 0.25000000000000 0.75000000000000 0.50000000000000 18.998 > 33 35 F 0.75000000000000 0.75000000000000 0.25000000000000 18.998 > 35 36 F 0.75000000000000 0.75000000000000 0.75000000000000 18.998 > 35 37 F 0.37794382522563 0.44556365151229 0.02088743571133 18.998 > 37 38 F 0.37794382522563 0.44556365151229 0.52088743571133 18.998 > 37 39 F 0.62205617477437 0.44556365151229 0.22911256428867 18.998 > 39 40 F 0.62205617477437 0.44556365151229 0.72911256428867 18.998 > 39 41 F 0.62205617477437 0.55443634848771 0.47911256428867 18.998 > 41 42 F 0.62205617477437 0.55443634848771 0.97911256428867 18.998 > 41 43 F 0.37794382522563 0.55443634848771 0.27088743571133 18.998 > 43 44 F 0.37794382522563 0.55443634848771 0.77088743571133 18.998 > 43 45 F 0.89285596446403 0.70525391516447 0.46630633535411 18.998 > 45 46 F 0.89285596446403 0.70525391516447 0.96630633535411 18.998 > 45 47 F 0.10714403553597 0.70525391516447 0.28369366464589 18.998 > 47 48 F 0.10714403553597 0.70525391516447 0.78369366464589 18.998 > 47 49 F 0.70996232127875 0.97072492603987 0.30088316695613 18.998 > 1 50 F 0.70996232127875 0.97072492603987 0.80088316695613 18.998 > 1 51 F 0.29003767872125 0.97072492603987 0.44911683304387 18.998 > 3 52 F 0.29003767872125 0.97072492603987 0.94911683304387 18.998 > 3 53 F 0.29003767872125 0.02927507396013 0.19911683304387 18.998 > 5 54 F 0.29003767872125 0.02927507396013 0.69911683304387 18.998 > 5 55 F 0.70996232127875 0.02927507396013 0.05088316695613 18.998 > 7 56 F 0.70996232127875 0.02927507396013 0.55088316695613 18.998 > 7 57 F 0.39285596446403 0.79474608483553 0.21630633535411 18.998 > 9 58 F 0.39285596446403 0.79474608483553 0.71630633535411 18.998 > 9 59 F 0.60714403553597 0.79474608483553 0.03369366464589 18.998 > 11 60 F 0.60714403553597 0.79474608483553 0.53369366464589 18.998 > 11 61 F 0.50000000000000 0.89714312668236 0.12500000000000 18.998 > 13 62 F 0.50000000000000 0.89714312668236 0.62500000000000 18.998 > 13 63 F 0.50000000000000 0.10285687331764 0.37500000000000 18.998 > 15 64 F 0.50000000000000 0.10285687331764 0.87500000000000 18.998 > 15 65 F 0.61747187915785 0.12051307324357 0.14028688147565 18.998 > 17 66 F 0.61747187915785 0.12051307324357 0.64028688147565 18.998 > 17 67 F 0.38252812084215 0.12051307324357 0.10971311852435 18.998 > 19 68 F 0.38252812084215 0.12051307324357 0.60971311852435 18.998 > 19 69 F 0.38252812084215 0.87948692675643 0.35971311852435 18.998 > 21 70 F 0.38252812084215 0.87948692675643 0.85971311852435 18.998 > 21 71 F 0.61747187915785 0.87948692675643 0.39028688147565 18.998 > 23 72 F 0.61747187915785 0.87948692675643 0.89028688147565 18.998 > 23 73 F 0.62537461008945 0.34845985877475 0.07743405366868 18.998 > 25 74 F 0.62537461008945 0.34845985877475 0.57743405366868 18.998 > 25 75 F 0.37462538991055 0.34845985877475 0.17256594633132 18.998 > 27 76 F 0.37462538991055 0.34845985877475 0.67256594633132 18.998 > 27 77 F 0.37462538991055 0.65154014122525 0.42256594633132 18.998 > 29 78 F 0.37462538991055 0.65154014122525 0.92256594633132 18.998 > 29 79 F 0.62537461008945 0.65154014122525 0.32743405366868 18.998 > 31 80 F 0.62537461008945 0.65154014122525 0.82743405366868 18.998 > 31 81 F 0.75000000000000 0.25000000000000 0.00000000000000 18.998 > 33 82 F 0.75000000000000 0.25000000000000 0.50000000000000 18.998 > 33 83 F 0.25000000000000 0.25000000000000 0.25000000000000 18.998 > 35 84 F 0.25000000000000 0.25000000000000 0.75000000000000 18.998 > 35 85 F 0.87794382522563 0.94556365151229 0.02088743571133 18.998 > 37 86 F 0.87794382522563 0.94556365151229 0.52088743571133 18.998 > 37 87 F 0.12205617477437 0.94556365151229 0.22911256428867 18.998 > 39 88 F 0.12205617477437 0.94556365151229 0.72911256428867 18.998 > 39 89 F 0.12205617477437 0.05443634848771 0.47911256428867 18.998 > 41 90 F 0.12205617477437 0.05443634848771 0.97911256428867 18.998 > 41 91 F 0.87794382522563 0.05443634848771 0.27088743571133 18.998 > 43 92 F 0.87794382522563 0.05443634848771 0.77088743571133 18.998 > 43 93 F 0.39285596446403 0.20525391516447 0.46630633535411 18.998 > 45 94 F 0.39285596446403 0.20525391516447 0.96630633535411 18.998 > 45 95 F 0.60714403553597 0.20525391516447 0.28369366464589 18.998 > 47 96 F 0.60714403553597 0.20525391516447 0.78369366464589 18.998 > 47 97 Th 0.00000000000000 0.21261916712844 0.37500000000000 232.038 > 97 98 Th 0.00000000000000 0.21261916712844 0.87500000000000 232.038 > 97 99 Th 0.00000000000000 0.78738083287156 0.12500000000000 232.038 > 99 100 Th 0.00000000000000 0.78738083287156 0.62500000000000 232.038 > 99 101 Th 0.20365409560780 0.57172695187712 0.41486174579119 232.038 > 101 102 Th 0.20365409560780 0.57172695187712 0.91486174579119 232.038 > 101 103 Th 0.79634590439220 0.57172695187712 0.33513825420881 232.038 > 103 104 Th 0.79634590439220 0.57172695187712 0.83513825420881 232.038 > 103 105 Th 0.79634590439220 0.42827304812288 0.08513825420881 232.038 > 105 106 Th 0.79634590439220 0.42827304812288 0.58513825420881 232.038 > 105 107 Th 0.20365409560780 0.42827304812288 0.16486174579119 232.038 > 107 108 Th 0.20365409560780 0.42827304812288 0.66486174579119 232.038 > 107 109 Th 0.50000000000000 0.71261916712844 0.37500000000000 232.038 > 97 110 Th 0.50000000000000 0.71261916712844 0.87500000000000 232.038 > 97 111 Th 0.50000000000000 0.28738083287156 0.12500000000000 232.038 > 99 112 Th 0.50000000000000 0.28738083287156 0.62500000000000 232.038 > 99 113 Th 0.70365409560780 0.07172695187712 0.41486174579119 232.038 > 101 114 Th 0.70365409560780 0.07172695187712 0.91486174579119 232.038 > 101 115 Th 0.29634590439220 0.07172695187712 0.33513825420881 232.038 > 103 116 Th 0.29634590439220 0.07172695187712 0.83513825420881 232.038 > 103 117 Th 0.29634590439220 0.92827304812288 0.08513825420881 232.038 > 105 118 Th 0.29634590439220 0.92827304812288 0.58513825420881 232.038 > 105 119 Th 0.70365409560780 0.92827304812288 0.16486174579119 232.038 > 107 120 Th 0.70365409560780 0.92827304812288 0.66486174579119 232.038 > 107 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 2.5764674 0.0000000 -0.0693437 0.0000000 2.5797043 0.0000000 -0.0693379 0.0000000 2.5212437 -------------------------- Born effective charges -------------------------- 1 F -1.3446281 0.4380799 0.9971160 0.3711439 -0.9075427 -0.5239859 1.0140978 -0.6200889 -1.9587054 2 F -1.3446281 -0.4380799 0.9971160 -0.3711439 -0.9075427 0.5239859 1.0140978 0.6200889 -1.9587054 3 F -1.3446281 0.4380799 0.9971160 0.3711439 -0.9075427 -0.5239859 1.0140978 -0.6200889 -1.9587054 4 F -1.3446281 -0.4380799 0.9971160 -0.3711439 -0.9075427 0.5239859 1.0140978 0.6200889 -1.9587054 5 F -0.6444217 -0.0855626 0.1194878 -0.0777784 -1.2369237 0.9444100 0.1201298 0.9838176 -2.2618058 6 F -0.6444217 0.0855626 0.1194878 0.0777784 -1.2369237 -0.9444100 0.1201298 -0.9838176 -2.2618058 7 F -2.7294866 0.0000000 -0.4592075 0.0000000 -0.6304616 0.0000000 -0.4823747 0.0000000 -0.7547214 8 F -2.7294866 0.0000000 -0.4592075 0.0000000 -0.6304616 0.0000000 -0.4823747 0.0000000 -0.7547214 9 F -1.1986583 0.9828636 -0.1129852 0.8960062 -2.2569769 0.2086828 -0.1114483 0.2140171 -0.6658574 10 F -1.1986583 -0.9828636 -0.1129852 -0.8960062 -2.2569769 -0.2086828 -0.1114483 -0.2140171 -0.6658574 11 F -1.1986583 0.9828636 -0.1129852 0.8960062 -2.2569769 0.2086828 -0.1114483 0.2140171 -0.6658574 12 F -1.1986583 -0.9828636 -0.1129852 -0.8960062 -2.2569769 -0.2086828 -0.1114483 -0.2140171 -0.6658574 13 F -2.6836544 -0.7510169 0.2808659 -0.8974288 -0.9413827 0.0994772 0.2313487 0.0640541 -0.6662540 14 F -2.6836544 0.7510169 0.2808659 0.8974288 -0.9413827 -0.0994772 0.2313487 -0.0640541 -0.6662540 15 F -2.6836544 -0.7510169 0.2808659 -0.8974288 -0.9413827 0.0994772 0.2313487 0.0640541 -0.6662540 16 F -2.6836544 0.7510169 0.2808659 0.8974288 -0.9413827 -0.0994772 0.2313487 -0.0640541 -0.6662540 17 F -0.6187538 0.1469185 0.1615286 0.2052727 -2.5152843 -1.1794782 0.2102367 -1.1458568 -1.2640904 18 F -0.6187538 -0.1469185 0.1615286 -0.2052727 -2.5152843 1.1794782 0.2102367 1.1458568 -1.2640904 19 F -1.0013128 0.6020364 -0.5676791 0.5735821 -1.7083916 1.0336518 -0.5471284 1.0436837 -1.5423699 20 F -1.0013128 -0.6020364 -0.5676791 -0.5735821 -1.7083916 -1.0336518 -0.5471284 -1.0436837 -1.5423699 21 F -1.0013128 0.6020364 -0.5676791 0.5735821 -1.7083916 1.0336518 -0.5471284 1.0436837 -1.5423699 22 F -1.0013128 -0.6020364 -0.5676791 -0.5735821 -1.7083916 -1.0336518 -0.5471284 -1.0436837 -1.5423699 23 F -0.6444217 0.0855626 0.1194878 0.0777784 -1.2369237 -0.9444100 0.1201298 -0.9838176 -2.2618058 24 F -0.6444217 -0.0855626 0.1194878 -0.0777784 -1.2369237 0.9444100 0.1201298 0.9838176 -2.2618058 25 Th 5.5163146 0.0000000 -0.1248509 0.0000000 5.9417739 0.0000000 0.0021454 0.0000000 5.3215763 26 Th 5.5163146 0.0000000 -0.1248509 0.0000000 5.9417739 0.0000000 0.0021454 0.0000000 5.3215763 27 Th 5.7886383 0.2722800 -0.5055405 0.2906665 5.6532037 -0.2246629 -0.5720032 -0.1954099 5.4436101 28 Th 5.7886383 -0.2722800 -0.5055405 -0.2906665 5.6532037 0.2246629 -0.5720032 0.1954099 5.4436101 29 Th 5.7886383 0.2722800 -0.5055405 0.2906665 5.6532037 -0.2246629 -0.5720032 -0.1954099 5.4436101 30 Th 5.7886383 -0.2722800 -0.5055405 -0.2906665 5.6532037 0.2246629 -0.5720032 0.1954099 5.4436101 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: -0.00000001 (xxx) -0.00000001 (xxx) -0.00000001 (xxx) Max drift of fc2: 0.00000000 (xx) 0.00000000 (xx) --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperature: 0.0 10.0 20.0 30.0 40.0 ... 1000.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 Length for sampling mesh generation: 50.00 Generating grid system ... [ 7 7 7 ] fc3-r2q-transformation over three atoms: True --------------------------- Phonon calculations ---------------------------- Use NAC by Gonze et al. (no real space sum in current implementation) PRB 50, 13035(R) (1994), PRB 55, 10355 (1997) G-cutoff distance: 0.53, Number of G-points: 309, Lambda: 0.09 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/100) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| -0.000 ( 0.000 0.000 0.000) 0.000 0.000 ( 0.000 0.000 0.000) 0.000 0.000 ( 0.000 0.000 0.000) 0.000 1.516 ( 0.000 0.000 0.000) 0.000 1.723 ( 0.000 0.000 0.000) 0.000 1.991 ( 0.000 0.000 0.000) 0.000 2.127 ( 0.000 0.000 0.000) 0.000 2.166 ( 0.000 0.000 0.000) 0.000 2.355 ( 0.000 0.000 0.000) 0.000 2.427 ( 0.000 0.000 0.000) 0.000 2.508 ( 0.000 0.000 0.000) 0.000 2.572 ( 0.000 0.000 0.000) 0.000 2.581 ( 0.000 0.000 0.000) 0.000 2.799 ( 0.000 0.000 0.000) 0.000 3.030 ( 0.000 0.000 0.000) 0.000 3.032 ( 0.000 0.000 0.000) 0.000 3.094 ( 0.000 0.000 0.000) 0.000 3.375 ( 0.000 0.000 0.000) 0.000 3.405 ( 0.000 0.000 0.000) 0.000 3.433 ( 0.000 0.000 0.000) 0.000 3.694 ( 0.000 0.000 0.000) 0.000 3.742 ( 0.000 0.000 0.000) 0.000 3.746 ( 0.000 0.000 0.000) 0.000 3.763 ( 0.000 0.000 0.000) 0.000 3.883 ( 0.000 0.000 0.000) 0.000 3.891 ( 0.000 0.000 0.000) 0.000 3.956 ( 0.000 0.000 0.000) 0.000 4.039 ( 0.000 0.000 0.000) 0.000 4.167 ( 0.000 0.000 0.000) 0.000 4.170 ( 0.000 0.000 0.000) 0.000 4.297 ( 0.000 0.000 0.000) 0.000 4.364 ( 0.000 0.000 0.000) 0.000 4.548 ( 0.000 0.000 0.000) 0.000 4.772 ( 0.000 0.000 0.000) 0.000 4.852 ( 0.000 0.000 0.000) 0.000 4.962 ( 0.000 0.000 0.000) 0.000 4.983 ( 0.000 0.000 0.000) 0.000 5.107 ( 0.000 0.000 0.000) 0.000 5.136 ( 0.000 0.000 0.000) 0.000 5.285 ( 0.000 0.000 0.000) 0.000 5.314 ( 0.000 0.000 0.000) 0.000 5.335 ( 0.000 0.000 0.000) 0.000 5.380 ( 0.000 0.000 0.000) 0.000 5.469 ( 0.000 0.000 0.000) 0.000 5.522 ( 0.000 0.000 0.000) 0.000 5.848 ( 0.000 0.000 0.000) 0.000 5.969 ( 0.000 0.000 0.000) 0.000 6.106 ( 0.000 0.000 0.000) 0.000 6.195 ( 0.000 0.000 0.000) 0.000 6.270 ( 0.000 0.000 0.000) 0.000 6.348 ( 0.000 0.000 0.000) 0.000 6.472 ( 0.000 0.000 0.000) 0.000 6.772 ( 0.000 0.000 0.000) 0.000 6.810 ( 0.000 0.000 0.000) 0.000 6.998 ( 0.000 0.000 0.000) 0.000 7.104 ( 0.000 0.000 0.000) 0.000 7.110 ( 0.000 0.000 0.000) 0.000 7.112 ( 0.000 0.000 0.000) 0.000 7.361 ( 0.000 0.000 0.000) 0.000 7.490 ( 0.000 0.000 0.000) 0.000 7.537 ( 0.000 0.000 0.000) 0.000 7.640 ( 0.000 0.000 0.000) 0.000 7.842 ( 0.000 0.000 0.000) 0.000 8.096 ( 0.000 0.000 0.000) 0.000 8.149 ( 0.000 0.000 0.000) 0.000 8.192 ( 0.000 0.000 0.000) 0.000 9.556 ( 0.000 0.000 0.000) 0.000 9.557 ( 0.000 0.000 0.000) 0.000 9.599 ( 0.000 0.000 0.000) 0.000 9.643 ( 0.000 0.000 0.000) 0.000 9.921 ( 0.000 0.000 0.000) 0.000 9.977 ( 0.000 0.000 0.000) 0.000 10.034 ( 0.000 0.000 0.000) 0.000 10.171 ( 0.000 0.000 0.000) 0.000 10.229 ( 0.000 0.000 0.000) 0.000 10.700 ( 0.000 0.000 0.000) 0.000 10.785 ( 0.000 0.000 0.000) 0.000 10.870 ( 0.000 0.000 0.000) 0.000 10.923 ( 0.000 0.000 0.000) 0.000 11.051 ( 0.000 0.000 0.000) 0.000 11.187 ( 0.000 0.000 0.000) 0.000 11.206 ( 0.000 0.000 0.000) 0.000 11.359 ( 0.000 0.000 0.000) 0.000 11.564 ( 0.000 0.000 0.000) 0.000 11.683 ( 0.000 0.000 0.000) 0.000 16.131 ( 0.000 0.000 0.000) 0.000 16.442 ( 0.000 0.000 0.000) 0.000 17.121 ( 0.000 0.000 0.000) 0.000 17.167 ( 0.000 0.000 0.000) 0.000 17.504 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/100) ======================= q-point: ( 0.14 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 172 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.249 ( 7.034 -10.469 3.810) 13.175 0.570 ( 21.123 -18.712 10.423) 30.082 0.960 ( 27.436 -34.331 19.207) 47.961 1.583 ( 8.326 0.401 3.235) 8.942 1.729 ( 3.311 5.329 7.681) 9.918 1.931 ( -5.601 0.017 -2.963) 6.337 2.114 ( -1.337 0.221 -5.918) 6.071 2.180 ( 0.588 0.271 3.454) 3.514 2.301 ( 2.435 13.645 -3.029) 14.188 2.378 ( -2.626 -5.505 3.154) 6.867 2.434 ( -0.302 0.270 2.941) 2.968 2.644 ( -2.766 -3.748 1.478) 4.887 2.756 ( -4.112 3.139 3.002) 5.981 2.780 ( 4.780 -11.154 -1.960) 12.292 2.994 ( -2.647 0.766 -3.838) 4.725 3.051 ( -1.486 3.089 3.599) 4.970 3.074 ( 2.982 -0.834 -2.004) 3.688 3.320 ( 2.153 3.608 -0.846) 4.286 3.406 ( 2.897 1.603 -2.541) 4.174 3.549 ( 3.964 -4.015 0.694) 5.684 3.634 ( -2.460 4.124 -2.264) 5.310 3.659 ( -9.664 -3.222 -2.296) 10.443 3.720 ( 0.292 2.082 -1.187) 2.414 3.862 ( 5.136 -3.720 -1.733) 6.574 3.950 ( -0.108 -4.493 3.584) 5.748 3.968 ( 3.507 2.464 6.185) 7.525 4.010 ( -2.149 0.761 7.854) 8.179 4.069 ( -3.372 -3.123 -0.062) 4.597 4.174 ( 1.240 -0.221 1.565) 2.009 4.207 ( -1.065 0.436 -0.917) 1.471 4.324 ( -3.414 1.607 2.975) 4.805 4.469 ( 11.045 2.879 -3.180) 11.849 4.543 ( 1.661 9.053 -2.724) 9.599 4.705 ( -5.133 3.089 -1.331) 6.137 4.912 ( 3.460 0.307 -0.209) 3.480 4.962 ( -3.179 1.953 3.303) 4.982 5.054 ( 3.357 -6.601 -0.996) 7.472 5.120 ( -1.428 0.529 -3.036) 3.397 5.215 ( 2.187 3.711 -0.541) 4.341 5.228 ( -8.967 0.457 1.537) 9.109 5.338 ( -2.369 4.296 6.913) 8.477 5.448 ( 7.339 -0.152 -2.805) 7.858 5.463 ( 0.302 -2.758 5.141) 5.842 5.578 ( 7.107 0.112 -1.118) 7.195 5.810 ( -0.485 2.187 -1.872) 2.920 5.971 ( -6.788 -3.874 0.111) 7.817 6.005 ( -5.645 -5.842 -7.670) 11.172 6.049 ( -0.491 2.915 -6.021) 6.707 6.179 ( -3.728 -4.080 -0.122) 5.528 6.357 ( -2.353 1.177 -4.432) 5.154 6.428 ( -4.251 -5.281 0.609) 6.807 6.492 ( 8.269 1.699 -1.939) 8.662 6.723 ( 0.277 4.460 -3.132) 5.457 6.824 ( -0.211 -0.867 0.218) 0.919 6.938 ( -1.391 5.037 -4.732) 7.049 7.097 ( -3.502 -0.245 2.722) 4.442 7.113 ( 1.477 0.215 -0.185) 1.504 7.145 ( 2.062 -2.865 -0.752) 3.609 7.384 ( 2.186 0.548 2.078) 3.065 7.460 ( -3.512 0.574 0.431) 3.584 7.568 ( -0.422 -4.037 -2.140) 4.589 7.667 ( 3.186 -0.739 0.228) 3.278 7.903 ( -0.883 -3.664 0.851) 3.863 8.098 ( 1.706 0.839 -1.135) 2.214 8.151 ( -0.120 -1.228 -0.345) 1.281 8.205 ( 0.662 0.092 0.599) 0.898 9.554 ( 0.386 -0.191 -1.213) 1.287 9.592 ( -3.723 -0.890 0.946) 3.943 9.608 ( -1.533 -0.950 1.022) 2.073 9.696 ( -1.010 -5.671 -0.320) 5.769 9.970 ( 0.846 0.902 0.001) 1.237 10.000 ( 0.190 -1.383 -1.307) 1.913 10.172 ( 0.154 -0.096 -0.069) 0.194 10.223 ( 1.018 1.959 0.605) 2.289 10.451 ( 4.251 22.404 27.960) 36.080 10.698 ( -0.447 0.693 1.473) 1.688 10.813 ( 0.161 0.196 0.671) 0.718 10.886 ( -4.076 -0.784 1.615) 4.454 10.936 ( -0.537 -1.276 0.973) 1.692 11.123 ( 3.342 3.154 -1.925) 4.982 11.158 ( 9.403 10.858 1.156) 14.410 11.247 ( -1.402 -3.848 -0.237) 4.102 11.574 ( 1.985 -0.338 -1.122) 2.305 11.693 ( 1.809 -1.026 -1.457) 2.539 15.873 ( 2.248 -8.705 -13.500) 16.220 16.388 ( -6.962 -10.694 -8.463) 15.312 16.432 ( 0.371 -5.034 -10.899) 12.011 17.100 ( -4.596 3.759 -1.771) 6.196 17.191 ( 2.716 -7.592 -1.694) 8.239 17.593 ( -3.972 -6.425 -2.024) 7.820 ======================= Grid point 2 (3/100) ======================= q-point: ( 0.29 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 172 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.472 ( 5.507 -8.598 2.259) 10.457 1.108 ( 19.208 -17.554 9.542) 27.715 1.631 ( 7.960 -4.747 9.161) 13.032 1.669 ( 9.592 3.349 0.297) 10.164 1.844 ( 5.940 1.327 4.145) 7.364 1.914 ( 4.552 -13.808 8.874) 17.033 2.072 ( -1.630 -4.940 -1.337) 5.371 2.180 ( 5.941 7.176 -6.352) 11.275 2.220 ( 2.339 0.961 4.737) 5.369 2.412 ( -6.712 -2.363 2.259) 7.466 2.520 ( -0.151 -6.658 4.089) 7.814 2.586 ( -6.052 1.224 -1.423) 6.337 2.698 ( -2.416 3.996 4.767) 6.672 2.864 ( -1.080 0.206 -1.953) 2.241 2.946 ( 0.185 0.873 -0.040) 0.893 3.066 ( 1.918 -3.016 -1.540) 3.892 3.109 ( -0.580 -2.168 2.349) 3.248 3.357 ( 7.541 -1.910 -3.619) 8.580 3.397 ( 1.319 -0.652 0.009) 1.471 3.503 ( -1.070 3.704 -5.504) 6.720 3.577 ( -8.680 -3.063 -3.514) 9.852 3.639 ( 3.823 -0.101 -0.779) 3.903 3.698 ( 2.362 1.924 0.358) 3.067 3.908 ( 3.399 3.041 -1.588) 4.829 3.936 ( -13.711 1.730 9.380) 16.703 4.009 ( 3.289 3.433 -1.648) 5.032 4.050 ( 5.969 0.447 2.934) 6.666 4.101 ( -2.627 1.039 -0.816) 2.940 4.170 ( -0.288 -4.799 -2.110) 5.250 4.255 ( 1.612 -4.408 2.662) 5.396 4.298 ( -5.267 -3.139 0.023) 6.131 4.418 ( 0.043 5.538 -0.683) 5.580 4.541 ( 8.739 1.032 -4.465) 9.868 4.632 ( -5.713 -1.434 3.716) 6.965 4.862 ( -3.371 5.574 -1.806) 6.760 4.946 ( -1.664 1.052 1.028) 2.221 4.999 ( -5.329 2.469 -5.661) 8.157 5.126 ( -3.130 1.210 4.576) 5.675 5.185 ( 3.530 -1.680 -2.753) 4.782 5.285 ( 6.284 -1.667 4.302) 7.796 5.322 ( -2.091 -0.072 5.286) 5.685 5.478 ( 2.781 2.776 -0.688) 3.989 5.564 ( 2.064 -1.502 6.168) 6.676 5.623 ( 6.765 3.037 -2.762) 7.913 5.753 ( 1.357 1.019 -3.456) 3.850 5.905 ( -5.579 1.391 -1.706) 5.997 5.935 ( -4.065 -0.668 -1.052) 4.251 6.037 ( -0.111 -4.329 -5.772) 7.216 6.196 ( -4.323 -3.473 2.398) 6.042 6.226 ( -5.430 4.843 -1.402) 7.410 6.476 ( -1.968 -2.079 0.711) 2.950 6.574 ( 4.954 -6.820 -1.418) 8.547 6.635 ( 1.241 4.679 -4.352) 6.509 6.769 ( 0.097 7.205 -6.587) 9.763 6.849 ( -2.731 -0.485 1.926) 3.377 7.067 ( -2.930 2.439 1.193) 3.994 7.138 ( 2.040 -0.096 1.554) 2.566 7.208 ( 2.479 -3.357 -0.631) 4.221 7.403 ( -3.002 2.403 -0.987) 3.970 7.434 ( 4.209 -0.052 1.181) 4.372 7.584 ( -4.139 -4.743 -1.582) 6.490 7.713 ( 3.090 -0.306 -0.060) 3.105 7.956 ( 1.075 -1.813 2.555) 3.312 8.089 ( 1.476 1.150 -1.723) 2.543 8.178 ( 1.083 -1.885 -0.239) 2.187 8.211 ( 0.373 0.217 -0.030) 0.433 9.556 ( 0.748 -0.295 -0.437) 0.915 9.575 ( -2.434 -0.873 0.698) 2.678 9.619 ( -0.110 -0.381 1.359) 1.416 9.744 ( -0.938 -2.959 0.191) 3.110 9.983 ( 2.064 -0.336 0.258) 2.107 10.001 ( -0.759 -1.135 -1.521) 2.044 10.173 ( 0.165 -0.178 -0.712) 0.752 10.213 ( 0.639 2.860 2.033) 3.567 10.421 ( -0.414 7.326 8.386) 11.142 10.699 ( -0.046 0.691 1.839) 1.965 10.819 ( 1.695 0.881 -0.204) 1.921 10.856 ( -4.373 -0.643 0.387) 4.437 10.961 ( 0.348 -1.208 1.781) 2.180 11.091 ( -0.223 2.435 -0.507) 2.497 11.155 ( 5.937 4.614 1.251) 7.622 11.267 ( -2.195 -2.880 -0.463) 3.651 11.591 ( 2.246 -0.100 -1.289) 2.592 11.717 ( 1.072 -1.064 -0.339) 1.548 15.894 ( -1.682 -5.177 -5.545) 7.770 16.408 ( 5.369 3.220 3.646) 7.245 16.429 ( -1.098 -7.780 -8.447) 11.536 16.953 ( -6.543 6.098 -2.325) 9.242 17.329 ( 3.055 -10.217 -2.383) 10.927 17.604 ( -2.076 0.006 1.658) 2.657 ======================= Grid point 3 (4/100) ======================= q-point: ( 0.43 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 172 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.607 ( 2.080 -3.379 0.584) 4.011 1.576 ( 9.692 -13.741 7.984) 18.614 1.665 ( -1.261 2.342 1.806) 3.215 1.691 ( 8.672 -0.676 -1.744) 8.872 1.880 ( 2.638 3.715 1.395) 4.765 2.033 ( -6.962 8.633 -5.560) 12.406 2.092 ( 4.567 -0.310 0.801) 4.647 2.265 ( 6.639 -0.592 0.030) 6.665 2.298 ( -4.362 -8.038 7.526) 11.844 2.364 ( -4.962 -1.615 1.573) 5.450 2.512 ( -2.293 1.295 -0.903) 2.784 2.630 ( 2.620 -2.648 1.824) 4.148 2.723 ( 1.208 -2.812 1.213) 3.292 2.818 ( -1.646 -0.310 -1.951) 2.571 2.936 ( 1.366 2.225 0.697) 2.702 3.108 ( -0.337 -1.422 0.996) 1.769 3.165 ( 2.024 -3.067 1.773) 4.080 3.344 ( 1.584 3.482 1.339) 4.053 3.435 ( -0.071 -0.634 -4.661) 4.704 3.484 ( -6.388 1.537 -0.710) 6.609 3.567 ( 8.301 -10.984 -4.259) 14.412 3.660 ( 3.068 -0.633 -1.479) 3.464 3.747 ( 5.394 -1.477 1.144) 5.708 3.783 ( -10.741 5.706 8.041) 14.580 3.875 ( 0.946 6.201 -4.420) 7.674 3.947 ( -8.869 6.846 -0.615) 11.221 3.965 ( -0.281 1.139 -1.115) 1.619 4.108 ( 3.641 1.166 0.504) 3.856 4.227 ( -3.649 -2.936 0.520) 4.712 4.326 ( 5.827 -3.713 0.915) 6.970 4.349 ( -2.233 -3.962 1.651) 4.838 4.398 ( 2.701 -2.674 -2.569) 4.588 4.549 ( 0.540 7.082 1.396) 7.239 4.621 ( -1.667 -0.710 -3.539) 3.976 4.757 ( -3.884 0.811 2.248) 4.561 4.907 ( -0.850 1.461 -0.081) 1.692 4.939 ( 0.423 -5.777 -3.778) 6.916 5.057 ( -3.228 8.821 3.229) 9.932 5.214 ( 1.094 -0.519 -0.751) 1.425 5.359 ( 1.909 -0.209 1.138) 2.233 5.425 ( 0.479 -3.609 2.120) 4.213 5.467 ( 2.546 -1.631 2.545) 3.952 5.583 ( 0.881 3.683 -3.494) 5.153 5.652 ( 2.342 -0.474 5.079) 5.613 5.769 ( 2.027 0.092 -0.602) 2.116 5.792 ( -2.485 3.330 -5.090) 6.571 5.933 ( -1.402 -2.141 0.783) 2.676 6.016 ( -0.553 -0.181 -2.983) 3.039 6.132 ( -3.371 0.729 -0.306) 3.462 6.250 ( -1.916 -5.685 4.223) 7.336 6.419 ( -0.675 5.724 -2.524) 6.292 6.578 ( -1.040 -0.050 -2.738) 2.930 6.644 ( 1.403 3.870 -1.016) 4.240 6.756 ( 4.010 -8.894 0.089) 9.756 6.850 ( -0.880 -1.131 1.036) 1.768 6.971 ( -3.216 7.179 -0.841) 7.911 7.173 ( 1.341 0.046 1.277) 1.852 7.265 ( 2.149 -1.634 -0.157) 2.704 7.333 ( -2.552 1.253 -1.076) 3.040 7.479 ( 2.610 0.257 0.286) 2.638 7.580 ( -3.158 -2.344 -0.496) 3.964 7.737 ( 1.145 0.046 -0.092) 1.150 8.001 ( 0.722 -0.729 1.256) 1.622 8.079 ( 0.694 0.550 -0.860) 1.235 8.205 ( 0.209 -1.179 -0.526) 1.308 8.210 ( 0.416 0.484 0.316) 0.712 9.560 ( -0.093 0.081 0.023) 0.126 9.577 ( -0.277 -0.715 0.230) 0.800 9.633 ( 0.053 -0.284 0.758) 0.811 9.757 ( -0.650 -0.637 0.037) 0.911 9.985 ( -0.516 0.055 -0.568) 0.769 10.027 ( 1.855 -1.260 -0.341) 2.269 10.173 ( -0.597 -1.650 -1.301) 2.184 10.189 ( -0.060 3.523 2.289) 4.201 10.400 ( -0.220 1.607 1.833) 2.448 10.706 ( 0.282 0.265 0.675) 0.778 10.814 ( -0.509 0.613 -0.145) 0.809 10.833 ( -0.866 -0.392 0.127) 0.959 11.000 ( 0.391 -1.614 1.537) 2.263 11.053 ( -0.125 2.076 -0.814) 2.234 11.170 ( 1.898 1.303 0.658) 2.394 11.272 ( -1.037 -1.192 -0.335) 1.615 11.602 ( 0.936 0.057 -0.548) 1.086 11.734 ( 0.350 -0.436 -0.061) 0.563 15.887 ( -1.272 -1.421 -1.631) 2.510 16.420 ( 0.056 -0.675 -1.062) 1.259 16.522 ( 6.155 -3.084 0.990) 6.956 16.785 ( -6.088 4.809 -1.747) 7.953 17.466 ( 2.750 -8.350 -2.601) 9.168 17.566 ( -2.239 4.624 2.513) 5.719 ======================= Grid point 8 (5/100) ======================= q-point: ( 0.14 0.14 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.751 ( 15.257 0.000 23.516) 28.032 0.864 ( 21.300 0.000 23.088) 31.413 1.143 ( 37.356 0.000 11.243) 39.011 1.748 ( 13.161 0.000 5.109) 14.118 1.827 ( -7.777 -0.000 -1.597) 7.939 1.908 ( 6.101 0.000 12.360) 13.784 1.988 ( -6.919 -0.000 -10.772) 12.802 2.230 ( 2.579 0.000 4.215) 4.942 2.347 ( -3.375 -0.000 5.783) 6.695 2.416 ( -0.470 -0.000 -4.561) 4.586 2.416 ( -5.057 -0.000 2.874) 5.817 2.642 ( 3.705 0.000 0.166) 3.709 2.715 ( 2.445 0.000 2.008) 3.164 2.723 ( -2.830 -0.000 -0.203) 2.837 2.933 ( 2.350 0.000 -11.922) 12.151 3.049 ( -2.881 -0.000 2.051) 3.537 3.111 ( -2.112 -0.000 5.715) 6.093 3.360 ( 3.469 0.000 -4.394) 5.598 3.408 ( 0.552 0.000 0.297) 0.627 3.509 ( -8.916 -0.000 -2.175) 9.178 3.569 ( -2.620 -0.000 -2.969) 3.960 3.679 ( 7.729 0.000 0.172) 7.731 3.783 ( 7.388 0.000 -0.550) 7.409 3.864 ( 2.649 0.000 1.565) 3.077 3.982 ( 4.544 0.000 1.895) 4.923 4.004 ( 0.052 0.000 -1.099) 1.100 4.046 ( -7.637 -0.000 12.680) 14.802 4.073 ( 7.109 0.000 -1.139) 7.199 4.166 ( -4.606 -0.000 -2.950) 5.470 4.170 ( -3.033 -0.000 -0.634) 3.099 4.356 ( -1.543 -0.000 3.837) 4.136 4.414 ( -3.114 -0.000 -5.130) 6.002 4.643 ( 1.304 0.000 -5.110) 5.274 4.724 ( -1.772 -0.000 1.714) 2.466 4.914 ( -1.893 -0.000 2.253) 2.943 4.988 ( -3.496 -0.000 -3.797) 5.161 5.034 ( 2.702 0.000 -0.934) 2.859 5.050 ( -1.210 -0.000 -5.334) 5.470 5.103 ( -8.317 -0.000 5.316) 9.871 5.265 ( 0.822 0.000 1.884) 2.056 5.387 ( -5.031 -0.000 4.958) 7.064 5.502 ( 10.101 0.000 -6.017) 11.757 5.524 ( 2.858 0.000 10.274) 10.665 5.638 ( 5.812 0.000 2.675) 6.398 5.793 ( -2.964 -0.000 -3.369) 4.487 5.893 ( 5.260 0.000 -3.672) 6.414 5.899 ( -4.922 -0.000 -0.317) 4.932 6.061 ( -6.161 -0.000 -5.556) 8.296 6.106 ( 0.722 0.000 0.305) 0.784 6.219 ( -2.735 -0.000 -1.258) 3.010 6.408 ( -7.447 -0.000 2.312) 7.798 6.534 ( 7.630 0.000 -9.413) 12.117 6.704 ( 0.505 0.000 -7.957) 7.973 6.819 ( -3.872 -0.000 4.610) 6.021 6.923 ( -0.205 -0.000 -6.451) 6.454 7.080 ( -2.685 -0.000 2.368) 3.580 7.134 ( 2.795 0.000 -0.392) 2.822 7.149 ( 3.942 0.000 -1.429) 4.193 7.411 ( -5.884 -0.000 2.836) 6.532 7.443 ( 1.498 0.000 5.588) 5.785 7.526 ( 1.313 0.000 -5.745) 5.893 7.706 ( 3.818 0.000 0.389) 3.837 7.922 ( 3.711 0.000 3.364) 5.009 8.124 ( 3.171 0.000 -1.553) 3.531 8.134 ( 0.160 0.000 -0.725) 0.743 8.209 ( 0.237 0.000 -0.682) 0.722 9.559 ( -0.321 -0.000 1.142) 1.187 9.562 ( -1.624 -0.000 0.773) 1.798 9.622 ( 1.183 0.000 1.241) 1.715 9.682 ( 1.462 0.000 2.661) 3.036 9.974 ( -0.199 -0.000 -1.413) 1.427 9.987 ( 0.112 0.000 0.744) 0.752 10.173 ( -0.300 -0.000 0.106) 0.318 10.244 ( 1.397 0.000 -0.435) 1.463 10.649 ( -3.608 -0.000 0.519) 3.645 10.704 ( -16.198 -0.000 15.174) 22.195 10.778 ( 0.638 0.000 -1.755) 1.867 10.894 ( 1.338 0.000 -0.149) 1.347 10.902 ( -2.037 -0.000 0.546) 2.109 11.143 ( -1.625 -0.000 -0.930) 1.872 11.174 ( -2.595 -0.000 -0.072) 2.596 11.374 ( 0.796 0.000 0.284) 0.845 11.573 ( 0.070 0.000 0.979) 0.982 11.693 ( 4.090 0.000 -4.268) 5.912 15.724 ( 18.016 0.000 -21.013) 27.678 16.222 ( 6.053 0.000 2.011) 6.378 16.493 ( 1.367 0.000 3.972) 4.200 17.091 ( -3.651 -0.000 -4.349) 5.678 17.109 ( 0.475 0.000 -0.552) 0.728 17.573 ( 1.749 0.000 4.890) 5.193 ======================= Grid point 9 (6/100) ======================= q-point: ( 0.29 0.14 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 172 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.944 ( 16.490 19.592 23.653) 34.861 1.256 ( 18.884 -5.395 12.536) 23.300 1.719 ( 7.216 -9.838 5.237) 13.277 1.751 ( -5.469 -5.266 1.596) 7.759 1.792 ( 6.326 3.061 -1.996) 7.305 1.970 ( 4.833 -5.608 -0.044) 7.404 2.078 ( 7.823 1.454 14.121) 16.209 2.280 ( 0.515 2.101 -1.842) 2.841 2.307 ( 5.661 1.384 -4.206) 7.187 2.357 ( -7.029 0.654 5.670) 9.054 2.456 ( -1.403 -1.009 7.363) 7.563 2.584 ( 0.543 2.952 0.474) 3.039 2.692 ( -5.565 -0.560 2.852) 6.279 2.848 ( 2.081 3.063 -9.069) 9.796 2.895 ( 7.189 -8.723 -2.932) 11.677 3.054 ( -1.337 -4.451 1.315) 4.830 3.135 ( -0.191 1.350 6.477) 6.619 3.352 ( 2.623 -0.272 -4.395) 5.125 3.409 ( 0.074 -3.125 -5.444) 6.277 3.432 ( -3.586 1.047 1.080) 3.889 3.500 ( -2.433 2.207 -0.862) 3.396 3.701 ( 3.982 3.160 -3.681) 6.276 3.832 ( 8.639 6.764 2.483) 11.250 3.917 ( -6.830 5.378 5.125) 10.092 3.960 ( 3.549 -0.870 -1.769) 4.060 4.022 ( -3.707 -1.015 -4.534) 5.944 4.078 ( -2.478 -0.476 2.362) 3.456 4.100 ( -0.885 -2.306 0.249) 2.483 4.145 ( 3.011 -0.816 -1.730) 3.567 4.184 ( 3.758 -3.901 3.175) 6.279 4.294 ( 0.932 3.209 1.953) 3.870 4.456 ( -0.205 -3.733 1.201) 3.927 4.560 ( -2.258 5.452 0.497) 5.922 4.691 ( 1.971 4.118 0.451) 4.588 4.843 ( -9.359 3.216 -3.651) 10.548 4.892 ( -6.298 -0.902 -2.338) 6.778 4.977 ( 3.233 2.993 -2.934) 5.293 5.077 ( -1.855 -4.865 -0.612) 5.243 5.155 ( -0.367 -3.653 3.571) 5.122 5.326 ( 2.557 -2.507 2.991) 4.665 5.378 ( 0.144 1.374 3.999) 4.231 5.549 ( 3.958 4.050 -2.162) 6.062 5.616 ( 0.007 -0.021 5.617) 5.617 5.722 ( 1.043 -2.496 -4.380) 5.148 5.726 ( 4.859 2.080 0.962) 5.372 5.824 ( -5.954 0.628 0.082) 5.988 5.891 ( -3.215 0.900 -1.301) 3.583 5.957 ( -0.892 -2.734 -4.357) 5.220 6.114 ( -3.488 -3.049 -0.862) 4.712 6.213 ( -3.689 4.306 -0.883) 5.739 6.380 ( -1.796 -7.033 2.645) 7.726 6.548 ( 3.295 -4.286 -6.782) 8.673 6.627 ( 0.377 2.400 -8.018) 8.378 6.807 ( -3.319 1.773 1.882) 4.207 6.841 ( -0.124 3.434 -2.261) 4.113 7.067 ( -1.902 0.884 0.963) 2.308 7.160 ( 1.768 -0.638 -0.011) 1.880 7.201 ( 4.246 -2.042 -1.954) 5.101 7.375 ( -5.146 0.568 0.390) 5.192 7.499 ( 2.151 0.422 4.410) 4.925 7.506 ( 1.513 -1.456 -2.851) 3.541 7.743 ( 2.144 0.132 0.164) 2.154 7.991 ( 3.157 -0.065 2.636) 4.113 8.116 ( 1.910 1.783 -1.470) 2.998 8.162 ( 1.589 -1.670 -1.421) 2.708 8.205 ( -0.060 -0.653 -1.110) 1.289 9.552 ( -1.084 -0.293 0.015) 1.123 9.569 ( 0.374 0.004 1.628) 1.670 9.645 ( 1.576 0.816 1.987) 2.664 9.735 ( 1.468 -1.048 3.049) 3.543 9.968 ( -0.375 -0.998 -1.127) 1.551 9.997 ( 0.681 -0.367 0.603) 0.981 10.160 ( -1.626 0.166 -0.595) 1.739 10.251 ( 1.352 0.725 -0.436) 1.595 10.531 ( -6.706 7.839 5.156) 11.533 10.679 ( -5.356 -2.424 2.192) 6.274 10.787 ( -0.539 -2.175 -1.846) 2.904 10.852 ( -0.399 2.312 -0.486) 2.396 10.943 ( -0.879 -3.319 1.493) 3.744 11.099 ( -1.253 1.695 -0.427) 2.151 11.171 ( -4.248 -3.301 -0.135) 5.382 11.328 ( 2.409 6.884 1.574) 7.461 11.598 ( 1.123 -1.275 -0.419) 1.750 11.708 ( 1.764 -1.049 -2.261) 3.053 15.796 ( 8.563 -4.271 -9.048) 13.169 16.340 ( 6.078 -3.965 -0.189) 7.259 16.528 ( 3.198 2.550 4.632) 6.179 16.940 ( -6.623 6.332 -3.103) 9.674 17.209 ( 2.649 -9.895 -1.434) 10.343 17.631 ( 0.963 0.707 4.837) 4.982 ======================= Grid point 10 (7/100) ======================= q-point: ( 0.43 0.14 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 172 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.032 ( 15.981 21.508 20.464) 33.716 1.539 ( -0.318 -6.979 4.716) 8.429 1.644 ( -1.186 -0.109 -4.989) 5.130 1.775 ( 7.902 0.694 -0.558) 7.952 1.961 ( -6.896 -1.440 6.015) 9.263 2.020 ( -2.037 -0.763 -3.218) 3.884 2.096 ( -0.160 13.719 0.093) 13.720 2.219 ( -4.927 -2.336 1.701) 5.712 2.306 ( -0.186 -1.667 2.627) 3.117 2.414 ( 5.464 1.303 4.224) 7.028 2.556 ( 7.667 -0.185 0.145) 7.670 2.620 ( 2.253 -1.227 0.128) 2.569 2.698 ( -4.065 -5.539 6.780) 9.652 2.778 ( 1.197 1.499 -3.713) 4.179 3.000 ( 5.441 0.470 0.572) 5.492 3.121 ( 0.249 -1.910 -0.113) 1.929 3.188 ( 4.099 -0.598 2.130) 4.658 3.341 ( -3.084 -0.113 -3.740) 4.848 3.406 ( 0.419 -2.001 1.259) 2.401 3.449 ( -3.559 1.440 3.119) 4.946 3.494 ( 8.116 -7.946 -2.749) 11.686 3.674 ( 2.025 0.821 -3.215) 3.887 3.756 ( -7.792 4.065 0.766) 8.822 3.857 ( 5.001 5.699 1.760) 7.783 3.909 ( -6.926 1.564 -1.692) 7.299 3.959 ( 0.202 6.222 -3.514) 7.148 4.034 ( 0.161 5.160 -1.588) 5.401 4.087 ( -0.234 -1.354 1.009) 1.704 4.217 ( 5.215 -1.679 -0.004) 5.478 4.319 ( 4.022 -2.502 5.695) 7.407 4.360 ( 4.448 -3.597 0.456) 5.739 4.413 ( -0.230 4.067 -0.850) 4.162 4.554 ( -3.038 -2.040 -0.406) 3.682 4.662 ( -0.840 6.198 -0.511) 6.275 4.729 ( -2.898 -1.418 4.001) 5.140 4.827 ( -0.282 -4.224 -5.138) 6.657 4.963 ( 4.193 3.836 -1.441) 5.863 5.089 ( -5.409 -2.050 2.124) 6.162 5.205 ( -1.140 0.184 1.879) 2.206 5.354 ( -3.368 2.032 1.006) 4.060 5.426 ( 1.787 -1.223 1.455) 2.608 5.485 ( 2.477 -0.756 -2.010) 3.278 5.599 ( -0.977 3.754 -3.176) 5.014 5.698 ( -1.588 2.346 1.301) 3.117 5.755 ( -4.776 1.661 -2.699) 5.731 5.798 ( 3.147 -0.959 0.680) 3.359 5.892 ( 0.426 -4.021 1.670) 4.374 5.955 ( 1.200 -2.841 -5.901) 6.658 6.102 ( -3.286 0.898 1.339) 3.660 6.175 ( -2.406 -7.906 4.039) 9.198 6.441 ( -2.454 -1.686 0.592) 3.036 6.518 ( -1.297 1.028 -6.131) 6.350 6.684 ( 6.902 -9.015 -0.054) 11.354 6.707 ( -1.665 5.645 -2.571) 6.423 6.840 ( 0.046 -0.415 1.702) 1.752 7.013 ( -1.833 4.595 -1.204) 5.091 7.173 ( -1.309 -0.022 -0.904) 1.591 7.244 ( 0.457 -2.187 -2.601) 3.429 7.306 ( -1.479 -0.459 -1.441) 2.115 7.516 ( -1.268 2.020 4.884) 5.435 7.579 ( 6.569 -1.660 -0.005) 6.775 7.748 ( -0.463 0.558 -0.045) 0.727 8.024 ( 1.555 1.137 0.854) 2.107 8.102 ( 1.526 1.896 -0.851) 2.578 8.179 ( -0.167 -1.616 -1.220) 2.032 8.211 ( 0.438 -0.790 -0.849) 1.239 9.548 ( -0.492 -0.574 -0.234) 0.792 9.587 ( 0.560 0.046 1.267) 1.386 9.666 ( 2.064 1.789 2.056) 3.418 9.777 ( 1.656 0.738 2.808) 3.342 9.970 ( -0.614 -0.899 0.243) 1.115 10.025 ( 0.960 -1.222 0.318) 1.586 10.125 ( -2.636 -0.624 -2.178) 3.476 10.243 ( 0.743 2.168 -0.003) 2.291 10.422 ( -4.800 3.645 2.073) 6.374 10.668 ( -3.768 -2.215 0.103) 4.372 10.794 ( 0.567 -1.471 -1.776) 2.375 10.827 ( 0.268 0.289 -1.642) 1.689 10.987 ( -0.831 -2.553 1.939) 3.312 11.061 ( -1.128 1.961 -0.452) 2.307 11.155 ( -5.250 -2.354 -0.012) 5.753 11.301 ( 2.176 3.495 2.237) 4.685 11.612 ( 1.284 0.173 -1.199) 1.765 11.720 ( 0.162 -1.334 -1.150) 1.768 15.868 ( 5.688 -2.227 -2.461) 6.586 16.429 ( 4.596 -0.888 -0.264) 4.689 16.579 ( 3.622 1.620 1.216) 4.150 16.766 ( -6.761 3.923 0.063) 7.817 17.367 ( 3.838 -9.666 -1.274) 10.477 17.639 ( -0.458 4.274 4.256) 6.049 ======================= Grid point 11 (8/100) ======================= q-point: (-0.43 0.14 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 172 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.051 ( 13.678 24.940 18.283) 33.813 1.515 ( -9.120 2.150 -5.105) 10.671 1.611 ( -5.470 5.176 -4.081) 8.565 1.659 ( -5.570 5.724 -1.722) 8.170 1.879 ( 0.730 3.111 0.449) 3.227 1.992 ( -4.205 -2.946 -3.076) 5.986 2.073 ( 2.568 1.533 6.941) 7.558 2.183 ( -6.218 -2.433 -0.099) 6.678 2.299 ( -1.281 3.141 -6.882) 7.673 2.478 ( 6.657 -1.037 1.000) 6.811 2.595 ( -4.740 4.821 -1.106) 6.851 2.635 ( 8.071 3.161 2.495) 9.020 2.731 ( -2.424 1.782 0.666) 3.082 2.808 ( 1.166 -4.757 1.211) 5.045 2.970 ( 1.807 8.839 -0.488) 9.035 3.132 ( 0.550 0.140 -1.286) 1.406 3.192 ( 1.082 2.922 -3.175) 4.449 3.290 ( 0.226 0.576 -0.886) 1.081 3.429 ( -7.210 -2.249 5.412) 9.291 3.512 ( 5.512 -5.521 1.926) 8.036 3.591 ( -3.701 0.202 0.654) 3.764 3.694 ( 3.906 0.399 -0.043) 3.926 3.722 ( -2.387 4.539 -2.743) 5.815 3.765 ( 0.678 0.770 -1.935) 2.189 3.826 ( -0.403 -3.979 4.170) 5.778 3.960 ( 2.220 -4.525 -3.491) 6.131 3.985 ( 2.358 0.215 -1.984) 3.089 4.124 ( 6.715 3.955 2.108) 8.074 4.263 ( -1.497 0.968 0.771) 1.943 4.334 ( 3.012 2.641 -3.246) 5.156 4.385 ( -0.929 1.046 1.167) 1.822 4.475 ( -3.489 3.292 5.940) 7.635 4.494 ( 6.073 -0.148 -1.677) 6.302 4.653 ( 0.272 -0.662 1.804) 1.941 4.748 ( 0.558 -4.538 1.313) 4.756 4.912 ( 1.506 -3.024 1.170) 3.575 4.973 ( 5.661 -1.472 -3.714) 6.928 5.032 ( -1.512 5.097 1.783) 5.608 5.170 ( -6.389 -1.526 1.637) 6.769 5.300 ( -4.053 -0.457 -2.154) 4.612 5.425 ( -3.439 0.792 -2.970) 4.612 5.471 ( -0.331 6.004 -3.898) 7.166 5.551 ( 1.323 -2.959 0.496) 3.279 5.605 ( -1.955 2.278 -4.182) 5.148 5.764 ( -2.988 0.199 3.506) 4.611 5.793 ( -2.240 -3.039 4.388) 5.788 5.937 ( 1.459 -1.812 -3.440) 4.153 6.022 ( 4.346 -4.475 -0.261) 6.243 6.124 ( 1.712 -4.525 0.325) 4.849 6.304 ( 0.052 -3.249 4.365) 5.442 6.385 ( 0.086 1.520 -0.569) 1.625 6.555 ( -0.349 -8.560 0.795) 8.603 6.595 ( -3.359 3.959 -1.914) 5.534 6.837 ( 0.258 4.525 0.447) 4.554 6.845 ( 0.398 -2.051 -0.076) 2.091 6.945 ( 4.638 -1.774 -0.826) 5.034 7.123 ( -2.688 -0.502 -3.460) 4.411 7.241 ( -3.263 -1.762 0.165) 3.712 7.336 ( 2.177 -2.330 -0.579) 3.241 7.493 ( -1.220 4.372 3.139) 5.519 7.664 ( 5.599 0.234 0.379) 5.617 7.727 ( -2.041 0.557 0.804) 2.264 8.012 ( 1.030 2.518 -1.053) 2.917 8.086 ( -0.141 1.266 0.569) 1.395 8.187 ( -0.543 -1.483 -0.767) 1.756 8.211 ( -0.239 0.234 -0.522) 0.620 9.551 ( -0.167 -0.693 -0.293) 0.770 9.596 ( 0.281 0.561 0.820) 1.033 9.671 ( 2.923 3.228 0.794) 4.427 9.805 ( 2.817 1.870 2.492) 4.200 9.983 ( -1.037 -0.644 0.814) 1.468 10.022 ( -2.565 0.393 1.473) 2.984 10.113 ( -0.039 -3.266 -3.967) 5.139 10.215 ( -0.011 2.647 0.390) 2.676 10.350 ( -4.662 0.168 -2.110) 5.120 10.662 ( -1.386 -1.878 -0.922) 2.510 10.793 ( -2.267 -0.587 -0.277) 2.358 10.839 ( 3.467 -2.017 -2.641) 4.802 11.009 ( -0.675 1.909 -0.182) 2.033 11.023 ( -1.036 -1.127 0.307) 1.562 11.124 ( -5.064 -1.417 0.801) 5.320 11.309 ( 1.389 1.365 2.017) 2.804 11.605 ( 0.366 0.894 -0.858) 1.292 11.726 ( -0.414 -0.729 -0.595) 1.028 15.947 ( 6.548 -0.642 0.959) 6.649 16.429 ( -3.114 5.017 -4.049) 7.159 16.521 ( -0.898 0.977 2.253) 2.615 16.802 ( 3.907 -4.843 4.051) 7.425 17.507 ( 4.794 -5.910 -2.314) 7.954 17.579 ( -2.573 7.053 4.653) 8.833 ======================= Grid point 12 (9/100) ======================= q-point: (-0.29 0.14 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 172 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.976 ( 12.263 28.852 15.372) 34.916 1.136 ( -11.734 20.942 -4.412) 24.408 1.496 ( -5.601 -3.161 -3.149) 7.161 1.614 ( -1.913 8.352 -3.713) 9.338 1.773 ( -5.503 8.740 -6.304) 12.100 1.934 ( -2.057 0.386 -1.899) 2.826 2.103 ( -6.587 2.842 5.414) 8.987 2.145 ( -2.246 -1.690 0.295) 2.826 2.174 ( 0.385 4.419 -4.276) 6.161 2.456 ( -0.879 -3.005 -2.978) 4.321 2.535 ( 2.933 1.034 -4.735) 5.665 2.633 ( -1.806 6.416 1.128) 6.760 2.697 ( 3.974 1.836 -0.018) 4.377 2.885 ( -0.373 -1.453 4.460) 4.706 2.935 ( 6.617 0.960 -2.894) 7.286 3.094 ( -0.665 2.243 -0.658) 2.430 3.175 ( 4.282 1.784 -3.875) 6.044 3.263 ( -8.325 0.040 3.227) 8.929 3.444 ( -1.715 2.864 -1.167) 3.536 3.461 ( -4.523 -1.151 3.848) 6.050 3.650 ( -1.784 1.161 1.941) 2.881 3.681 ( 5.527 -3.667 3.125) 7.332 3.718 ( 4.772 -0.545 0.544) 4.834 3.843 ( 2.572 -3.354 -0.401) 4.246 3.888 ( -3.466 -4.028 -2.118) 5.720 3.957 ( -2.249 -1.849 -1.782) 3.413 4.075 ( 4.628 -2.566 -1.349) 5.461 4.144 ( 3.298 2.098 -1.499) 4.186 4.210 ( 4.100 5.838 1.370) 7.264 4.315 ( 1.817 1.000 -1.133) 2.364 4.356 ( -1.777 6.266 -0.467) 6.530 4.422 ( 1.518 4.188 0.154) 4.457 4.487 ( -6.337 2.277 5.356) 8.604 4.698 ( 3.347 -0.519 -0.498) 3.423 4.856 ( 3.335 -3.282 1.693) 4.976 4.940 ( -1.709 1.250 0.717) 2.235 5.002 ( 0.530 -6.510 -0.567) 6.556 5.053 ( 2.797 -5.123 -1.377) 5.996 5.148 ( -5.378 -2.580 2.340) 6.407 5.199 ( -5.133 1.909 -5.346) 7.653 5.361 ( 5.209 2.182 -3.476) 6.632 5.437 ( -1.597 0.204 0.379) 1.654 5.523 ( -3.811 2.847 -1.530) 4.997 5.564 ( -2.851 -0.671 0.584) 2.987 5.741 ( -1.323 -0.814 1.561) 2.203 5.905 ( -1.111 -5.662 6.617) 8.779 5.957 ( 4.203 -4.045 -6.106) 8.444 6.131 ( 3.180 -1.958 6.206) 7.243 6.221 ( 5.019 -4.552 -4.365) 8.060 6.272 ( 1.843 4.938 1.471) 5.472 6.431 ( -5.144 0.688 1.506) 5.404 6.529 ( -2.816 -8.021 -1.366) 8.610 6.666 ( 0.418 1.222 0.282) 1.322 6.762 ( 1.988 -1.250 3.830) 4.493 6.862 ( 0.681 0.451 -0.554) 0.987 7.044 ( 1.113 -3.403 0.633) 3.636 7.100 ( 1.531 -1.880 -3.723) 4.443 7.217 ( -3.062 0.501 0.514) 3.145 7.392 ( 1.814 -3.114 -0.234) 3.612 7.432 ( -1.890 4.822 1.648) 5.435 7.679 ( -0.796 0.363 -0.815) 1.196 7.712 ( 1.554 4.008 1.869) 4.688 7.976 ( 1.462 3.080 -1.167) 3.603 8.080 ( -1.004 -0.177 1.162) 1.545 8.188 ( -0.219 0.365 -0.519) 0.671 8.196 ( -0.772 -0.014 -0.280) 0.822 9.556 ( -0.124 -0.519 0.077) 0.539 9.596 ( 0.028 0.529 0.641) 0.832 9.669 ( 4.305 3.396 0.268) 5.490 9.827 ( 3.858 3.619 2.914) 6.039 9.953 ( -2.762 -0.257 -0.813) 2.891 10.028 ( -1.366 -0.049 2.201) 2.591 10.109 ( -2.333 -3.072 -6.162) 7.270 10.187 ( -0.524 1.459 0.629) 1.673 10.268 ( -4.992 -0.527 -5.198) 7.226 10.673 ( 1.025 -1.093 -0.965) 1.782 10.776 ( -2.800 -1.853 0.068) 3.358 10.891 ( 3.477 -1.625 -1.170) 4.012 10.962 ( -0.697 2.322 -0.672) 2.515 11.035 ( -1.397 -1.933 -0.353) 2.411 11.100 ( -3.031 -0.645 1.297) 3.359 11.317 ( 0.856 1.485 1.046) 2.008 11.588 ( -0.501 0.905 -0.033) 1.035 11.719 ( -0.440 0.476 -0.243) 0.692 16.026 ( 6.843 3.811 2.258) 8.152 16.277 ( -7.557 -1.041 -3.590) 8.431 16.575 ( 3.274 -0.648 4.613) 5.694 16.954 ( 3.781 -6.509 3.110) 8.144 17.451 ( -0.844 10.434 0.431) 10.477 17.617 ( 2.209 -3.546 1.588) 4.470 ======================= Grid point 13 (10/100) ======================= q-point: (-0.14 0.14 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.729 ( 0.000 26.116 0.000) 26.116 0.796 ( 0.000 28.526 0.000) 28.526 1.140 ( 0.000 39.297 0.000) 39.297 1.502 ( -0.000 -3.894 -0.000) 3.894 1.635 ( 0.000 0.733 0.000) 0.733 1.963 ( -0.000 -2.085 -0.000) 2.085 2.108 ( -0.000 -5.398 -0.000) 5.398 2.139 ( -0.000 -0.924 -0.000) 0.924 2.174 ( -0.000 -4.182 -0.000) 4.182 2.434 ( 0.000 4.134 0.000) 4.134 2.490 ( 0.000 10.073 0.000) 10.073 2.636 ( -0.000 -13.909 -0.000) 13.909 2.728 ( 0.000 2.821 0.000) 2.821 2.876 ( 0.000 7.175 0.000) 7.175 2.945 ( -0.000 -4.804 -0.000) 4.804 3.088 ( 0.000 2.323 0.000) 2.323 3.114 ( 0.000 8.197 0.000) 8.197 3.232 ( -0.000 -5.256 -0.000) 5.256 3.388 ( 0.000 0.727 0.000) 0.727 3.546 ( -0.000 -6.003 -0.000) 6.003 3.619 ( 0.000 1.585 0.000) 1.585 3.760 ( 0.000 0.418 0.000) 0.418 3.796 ( -0.000 -0.319 -0.000) 0.319 3.855 ( 0.000 3.640 0.000) 3.640 3.859 ( -0.000 -1.338 -0.000) 1.338 3.942 ( -0.000 -2.535 -0.000) 2.535 4.064 ( 0.000 6.083 0.000) 6.083 4.152 ( -0.000 -0.359 -0.000) 0.359 4.191 ( 0.000 6.405 0.000) 6.405 4.244 ( 0.000 6.475 0.000) 6.475 4.313 ( 0.000 3.879 0.000) 3.879 4.378 ( -0.000 -5.104 -0.000) 5.104 4.459 ( -0.000 -0.965 -0.000) 0.965 4.730 ( -0.000 -2.199 -0.000) 2.199 4.902 ( 0.000 2.265 0.000) 2.265 4.926 ( -0.000 -3.766 -0.000) 3.766 5.102 ( -0.000 -0.322 -0.000) 0.322 5.112 ( -0.000 -0.588 -0.000) 0.588 5.156 ( -0.000 -5.064 -0.000) 5.064 5.170 ( -0.000 -7.036 -0.000) 7.036 5.384 ( 0.000 0.818 0.000) 0.818 5.391 ( 0.000 2.607 0.000) 2.607 5.454 ( 0.000 0.924 0.000) 0.924 5.549 ( 0.000 0.811 0.000) 0.811 5.777 ( -0.000 -3.890 -0.000) 3.890 5.972 ( -0.000 -3.923 -0.000) 3.923 6.031 ( -0.000 -1.426 -0.000) 1.426 6.195 ( -0.000 -0.340 -0.000) 0.340 6.236 ( -0.000 -0.129 -0.000) 0.129 6.312 ( 0.000 3.159 0.000) 3.159 6.365 ( -0.000 -7.000 -0.000) 7.000 6.593 ( 0.000 7.777 0.000) 7.777 6.640 ( -0.000 -8.674 -0.000) 8.674 6.844 ( 0.000 1.471 0.000) 1.471 6.888 ( -0.000 -7.425 -0.000) 7.425 7.080 ( -0.000 -2.529 -0.000) 2.529 7.116 ( -0.000 -0.023 -0.000) 0.023 7.177 ( 0.000 2.980 0.000) 2.980 7.368 ( 0.000 2.361 0.000) 2.361 7.449 ( -0.000 -3.149 -0.000) 3.149 7.659 ( 0.000 0.866 0.000) 0.866 7.660 ( 0.000 6.289 0.000) 6.289 7.952 ( 0.000 1.749 0.000) 1.749 8.084 ( -0.000 -0.566 -0.000) 0.566 8.171 ( 0.000 1.419 0.000) 1.419 8.193 ( -0.000 -0.240 -0.000) 0.240 9.561 ( -0.000 -0.036 -0.000) 0.036 9.594 ( 0.000 0.004 0.000) 0.004 9.669 ( 0.000 2.059 0.000) 2.059 9.877 ( 0.000 2.489 0.000) 2.489 9.913 ( -0.000 -0.381 -0.000) 0.381 9.987 ( 0.000 0.466 0.000) 0.466 10.052 ( 0.000 1.248 0.000) 1.248 10.177 ( 0.000 0.600 0.000) 0.600 10.221 ( -0.000 -0.466 -0.000) 0.466 10.688 ( -0.000 -0.771 -0.000) 0.771 10.788 ( -0.000 -2.053 -0.000) 2.053 10.914 ( 0.000 0.739 0.000) 0.739 10.940 ( 0.000 0.102 0.000) 0.102 11.042 ( -0.000 -1.287 -0.000) 1.287 11.102 ( -0.000 -1.485 -0.000) 1.485 11.300 ( 0.000 2.629 0.000) 2.629 11.573 ( 0.000 0.716 0.000) 0.716 11.703 ( 0.000 1.220 0.000) 1.220 15.988 ( 0.000 6.838 0.000) 6.838 16.299 ( -0.000 -8.119 -0.000) 8.119 16.653 ( -0.000 -2.677 -0.000) 2.677 17.078 ( -0.000 -6.083 -0.000) 6.083 17.302 ( 0.000 10.955 0.000) 10.955 17.682 ( -0.000 -2.166 -0.000) 2.166 ======================= Grid point 16 (11/100) ======================= q-point: ( 0.29 0.29 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.338 ( 5.887 0.000 14.307) 15.471 1.612 ( 12.683 0.000 19.028) 22.867 1.620 ( -3.746 -0.000 -0.026) 3.746 1.678 ( -2.487 -0.000 2.966) 3.871 1.881 ( 4.423 0.000 -1.813) 4.780 2.013 ( 5.254 0.000 0.057) 5.254 2.188 ( -6.228 -0.000 -4.705) 7.806 2.306 ( 5.520 0.000 13.652) 14.726 2.317 ( 9.434 0.000 -4.743) 10.559 2.402 ( -0.536 -0.000 7.860) 7.878 2.532 ( 1.335 0.000 7.672) 7.787 2.638 ( -2.347 -0.000 6.949) 7.335 2.672 ( -0.837 -0.000 -6.669) 6.722 2.824 ( 5.685 0.000 -8.143) 9.932 2.900 ( 8.701 0.000 -0.215) 8.704 3.010 ( 1.745 0.000 0.050) 1.745 3.206 ( -2.985 -0.000 11.027) 11.424 3.282 ( -0.294 -0.000 -5.659) 5.666 3.385 ( 5.949 0.000 -6.675) 8.942 3.438 ( -0.145 -0.000 -0.067) 0.160 3.498 ( -3.734 -0.000 5.267) 6.456 3.726 ( 3.377 0.000 -5.801) 6.712 3.892 ( -7.860 -0.000 -1.218) 7.954 3.908 ( -5.133 -0.000 -7.690) 9.246 3.925 ( -4.784 -0.000 -6.635) 8.180 4.016 ( 4.092 0.000 3.118) 5.144 4.029 ( 1.477 0.000 4.690) 4.917 4.116 ( 3.383 0.000 0.452) 3.413 4.222 ( 7.231 0.000 10.855) 13.043 4.272 ( 7.685 0.000 3.020) 8.257 4.375 ( -2.081 -0.000 1.430) 2.525 4.386 ( 1.678 0.000 0.029) 1.678 4.607 ( -1.272 -0.000 0.361) 1.322 4.706 ( -2.343 -0.000 0.574) 2.412 4.714 ( -6.333 -0.000 -7.107) 9.519 4.810 ( -6.053 -0.000 -0.243) 6.058 4.987 ( -4.573 -0.000 -0.222) 4.579 5.013 ( 4.852 0.000 -6.068) 7.770 5.199 ( 3.511 0.000 5.630) 6.635 5.352 ( 3.350 0.000 1.117) 3.532 5.429 ( 2.419 0.000 2.807) 3.706 5.590 ( -6.186 -0.000 -4.944) 7.919 5.643 ( -6.216 -0.000 4.616) 7.742 5.660 ( 9.086 0.000 -1.506) 9.210 5.739 ( -6.023 -0.000 2.431) 6.495 5.831 ( -4.224 -0.000 -5.608) 7.021 5.866 ( 5.147 0.000 -4.023) 6.533 5.892 ( 0.400 0.000 6.211) 6.224 6.035 ( -3.412 -0.000 -3.219) 4.691 6.247 ( -8.074 -0.000 0.465) 8.087 6.261 ( -1.283 -0.000 -4.954) 5.117 6.515 ( 6.393 0.000 -0.723) 6.434 6.582 ( -0.254 -0.000 -6.230) 6.235 6.819 ( -2.259 -0.000 4.920) 5.413 6.844 ( 0.760 0.000 -3.873) 3.946 7.068 ( -0.669 -0.000 0.499) 0.834 7.140 ( -2.691 -0.000 -1.055) 2.890 7.228 ( 5.050 0.000 -1.812) 5.365 7.303 ( -7.102 -0.000 -2.614) 7.568 7.539 ( 8.140 0.000 -1.034) 8.205 7.553 ( -0.210 -0.000 5.795) 5.799 7.756 ( 0.001 0.000 -0.446) 0.446 8.050 ( 3.449 0.000 1.979) 3.976 8.133 ( 0.243 0.000 -0.980) 1.009 8.158 ( 2.731 0.000 -2.694) 3.836 8.183 ( -0.337 -0.000 -1.460) 1.498 9.539 ( -0.523 -0.000 -0.380) 0.646 9.587 ( 0.532 0.000 1.775) 1.853 9.696 ( 2.372 0.000 3.308) 4.070 9.784 ( 2.423 0.000 4.398) 5.022 9.953 ( 0.358 0.000 -1.034) 1.094 10.005 ( 0.423 0.000 0.968) 1.057 10.127 ( -3.284 -0.000 -1.591) 3.649 10.261 ( 1.285 0.000 -1.364) 1.874 10.538 ( -12.351 -0.000 3.899) 12.952 10.606 ( -1.714 -0.000 1.761) 2.457 10.763 ( 1.852 0.000 -3.239) 3.731 10.866 ( -1.937 -0.000 0.710) 2.063 10.901 ( -0.611 -0.000 -0.092) 0.618 11.099 ( -1.338 -0.000 0.081) 1.341 11.100 ( -4.014 -0.000 0.226) 4.021 11.391 ( 0.417 0.000 -0.019) 0.417 11.593 ( 0.408 0.000 0.816) 0.912 11.697 ( 1.158 0.000 -2.678) 2.917 15.826 ( 10.509 0.000 -5.162) 11.708 16.401 ( 6.550 0.000 1.210) 6.661 16.612 ( 2.148 0.000 5.000) 5.442 16.884 ( -6.718 -0.000 -6.280) 9.196 17.169 ( 3.663 0.000 2.521) 4.446 17.694 ( 1.518 0.000 4.713) 4.952 ======================= Grid point 17 (12/100) ======================= q-point: ( 0.43 0.29 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 172 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.437 ( -2.966 -1.247 7.430) 8.097 1.571 ( 2.573 2.687 1.272) 3.932 1.621 ( 0.641 9.900 7.555) 12.470 1.829 ( 1.932 -1.424 -5.145) 5.678 1.894 ( -6.338 -1.520 3.892) 7.592 2.042 ( 2.902 4.287 5.687) 7.690 2.118 ( -0.380 -1.056 -4.258) 4.403 2.334 ( 2.361 11.792 -0.458) 12.035 2.343 ( -0.416 3.985 5.590) 6.877 2.480 ( 4.238 -0.430 1.951) 4.685 2.610 ( 1.133 -3.142 4.275) 5.425 2.650 ( 4.848 -2.905 -0.880) 5.720 2.686 ( -1.281 0.298 6.845) 6.970 2.787 ( 2.188 2.195 -5.241) 6.089 3.038 ( 2.505 -6.250 -0.901) 6.793 3.087 ( 6.650 -1.553 0.938) 6.893 3.247 ( 0.219 -0.849 5.615) 5.683 3.295 ( 2.205 -0.401 -2.595) 3.428 3.398 ( 0.613 -0.838 0.798) 1.309 3.474 ( 2.139 -3.465 -0.004) 4.072 3.481 ( -0.995 3.303 3.570) 4.964 3.711 ( 2.982 4.181 -2.255) 5.608 3.735 ( -1.605 2.516 -4.937) 5.769 3.811 ( -6.454 -1.752 -1.515) 6.857 3.872 ( -3.312 -3.441 -3.683) 6.032 4.026 ( -0.718 6.633 0.745) 6.713 4.066 ( 1.379 0.573 0.695) 1.648 4.127 ( 0.960 3.598 -0.628) 3.776 4.305 ( 2.594 2.843 3.761) 5.381 4.332 ( -1.142 -2.425 -2.429) 3.617 4.392 ( 5.431 -0.575 4.010) 6.775 4.500 ( 2.393 7.713 0.477) 8.090 4.517 ( 0.802 -5.851 3.639) 6.937 4.626 ( -0.706 1.728 -2.620) 3.217 4.744 ( -3.090 -1.018 -2.039) 3.840 4.769 ( 3.169 -4.427 1.495) 5.646 4.982 ( -4.980 -5.011 2.616) 7.534 5.026 ( 5.334 -0.341 -4.384) 6.913 5.234 ( 0.193 4.269 2.361) 4.882 5.374 ( -3.768 3.133 0.845) 4.973 5.445 ( 0.382 2.283 -0.379) 2.346 5.477 ( 1.777 0.988 -4.461) 4.902 5.602 ( -3.635 0.603 0.802) 3.771 5.663 ( -7.511 -3.128 0.389) 8.145 5.725 ( -0.607 5.527 -2.033) 5.920 5.811 ( 4.826 -5.563 1.322) 7.482 5.884 ( -2.893 3.620 0.037) 4.634 5.901 ( 3.504 -1.406 -6.403) 7.433 6.057 ( -1.673 -9.144 1.873) 9.482 6.114 ( -2.623 3.141 0.948) 4.201 6.287 ( -5.022 -9.903 -2.379) 11.355 6.523 ( 0.116 2.871 -1.994) 3.497 6.654 ( 6.966 -4.706 1.331) 8.511 6.772 ( 0.633 5.187 -0.977) 5.316 6.856 ( 0.272 -0.718 2.164) 2.296 7.035 ( -1.529 3.024 -0.955) 3.521 7.121 ( -3.530 -2.472 -0.511) 4.340 7.181 ( -5.511 0.472 -4.363) 7.045 7.282 ( 2.762 -2.017 -1.343) 3.674 7.579 ( -0.291 1.416 4.565) 4.789 7.643 ( 7.707 -1.095 0.632) 7.810 7.734 ( -2.011 0.698 -0.958) 2.334 8.075 ( 1.801 2.294 0.638) 2.986 8.131 ( 0.286 -0.187 -0.302) 0.456 8.150 ( 0.933 0.370 -1.882) 2.133 8.190 ( 0.542 -1.506 -1.451) 2.160 9.535 ( -0.200 -0.367 -0.381) 0.565 9.605 ( 0.597 0.168 1.137) 1.295 9.744 ( 2.984 1.749 3.740) 5.095 9.842 ( 2.417 0.754 4.090) 4.810 9.959 ( 0.778 -0.678 -0.078) 1.035 10.023 ( -0.749 -0.554 1.464) 1.735 10.067 ( -2.524 -0.058 -3.555) 4.360 10.260 ( 1.021 0.376 -1.720) 2.035 10.407 ( -9.712 3.159 1.701) 10.353 10.617 ( -1.377 -1.423 1.465) 2.463 10.771 ( 2.095 -1.564 -2.638) 3.714 10.821 ( -1.300 2.268 -1.499) 3.014 10.940 ( -1.372 -4.826 1.437) 5.219 11.064 ( -3.311 -0.449 0.405) 3.365 11.082 ( -1.706 0.802 0.146) 1.890 11.374 ( 0.713 2.657 0.517) 2.799 11.612 ( 0.652 -0.691 0.035) 0.951 11.690 ( -0.177 -1.081 -1.872) 2.169 15.915 ( 8.442 -0.989 -0.947) 8.552 16.475 ( 4.592 -0.576 0.494) 4.655 16.646 ( 0.534 4.530 -1.886) 4.936 16.737 ( -5.321 1.334 0.920) 5.563 17.294 ( 4.137 -7.681 1.603) 8.870 17.722 ( 0.578 2.934 3.558) 4.648 ======================= Grid point 18 (13/100) ======================= q-point: (-0.43 0.29 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 172 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.436 ( -4.140 2.032 1.229) 4.773 1.534 ( 1.057 13.137 7.458) 15.144 1.608 ( 2.311 -2.351 -0.805) 3.393 1.713 ( -5.629 14.227 -0.052) 15.301 1.854 ( 0.596 -6.778 -5.845) 8.970 1.983 ( -1.698 10.819 4.220) 11.736 2.094 ( -1.378 -0.776 -1.844) 2.430 2.253 ( 3.936 9.149 3.484) 10.552 2.332 ( 2.388 6.346 -0.269) 6.786 2.515 ( 4.000 -0.238 -0.224) 4.013 2.607 ( -5.587 5.413 2.954) 8.321 2.648 ( -3.743 0.953 -1.939) 4.322 2.743 ( 0.045 -4.247 -1.370) 4.463 2.853 ( 9.074 -2.231 4.019) 10.172 3.089 ( 0.161 -1.402 0.062) 1.412 3.117 ( 0.816 2.155 -1.377) 2.684 3.226 ( -0.498 10.585 -1.021) 10.646 3.288 ( -2.049 -3.681 -1.570) 4.496 3.399 ( -3.601 6.652 3.524) 8.345 3.474 ( 2.541 -6.599 -0.288) 7.077 3.579 ( 3.781 -5.521 0.816) 6.741 3.701 ( 1.530 -2.950 3.322) 4.699 3.747 ( -5.245 3.496 2.480) 6.774 3.766 ( 3.112 -1.606 -4.249) 5.507 3.856 ( -1.608 9.586 -2.872) 10.135 3.891 ( 1.225 -2.006 -1.866) 3.001 4.023 ( 3.068 2.156 -1.898) 4.203 4.136 ( -4.451 -3.843 2.026) 6.220 4.302 ( -0.302 -1.311 -0.283) 1.375 4.364 ( 4.564 -0.077 -2.212) 5.073 4.427 ( 0.492 4.393 1.550) 4.684 4.495 ( 1.958 -3.586 2.096) 4.591 4.598 ( 3.324 5.107 1.167) 6.204 4.641 ( 3.978 -3.268 -1.769) 5.443 4.694 ( -3.677 -0.688 2.640) 4.579 4.914 ( 4.990 -5.133 0.732) 7.196 5.008 ( -0.669 -2.650 0.365) 2.758 5.060 ( -0.599 2.425 5.501) 6.041 5.148 ( -2.406 5.739 -2.239) 6.614 5.267 ( -1.824 4.708 -0.599) 5.085 5.357 ( -6.056 1.893 -4.738) 7.918 5.475 ( 0.566 -2.048 -3.533) 4.123 5.567 ( 1.268 3.209 -0.863) 3.557 5.615 ( 1.546 3.426 -2.374) 4.445 5.728 ( -3.627 -5.206 6.700) 9.228 5.769 ( -4.791 2.623 1.343) 5.624 5.884 ( 0.848 -1.338 -6.047) 6.251 5.975 ( 3.227 -8.737 -0.758) 9.345 6.105 ( 1.128 -0.860 0.577) 1.531 6.199 ( -1.264 -11.743 1.771) 11.943 6.395 ( -1.412 -11.432 1.453) 11.610 6.467 ( 0.689 4.759 -0.631) 4.850 6.632 ( -1.496 7.272 -0.647) 7.452 6.837 ( 4.307 -3.220 0.511) 5.402 6.879 ( -0.069 1.262 1.639) 2.070 6.978 ( 1.878 0.531 -1.945) 2.755 7.066 ( -2.144 0.735 -3.209) 3.929 7.154 ( -4.729 -4.424 0.840) 6.530 7.325 ( 1.680 -2.008 -0.613) 2.689 7.581 ( 0.892 4.079 3.071) 5.183 7.669 ( -2.151 0.387 -2.267) 3.149 7.743 ( 3.138 -0.907 1.559) 3.620 8.064 ( 1.683 2.126 -0.005) 2.712 8.110 ( -0.340 2.981 -0.365) 3.023 8.155 ( -0.204 -1.573 -0.464) 1.653 8.200 ( 0.044 -0.821 -0.715) 1.090 9.537 ( -0.069 -0.637 -0.288) 0.703 9.612 ( 0.281 0.507 0.591) 0.828 9.769 ( 3.561 3.669 2.036) 5.503 9.887 ( 2.802 1.077 3.204) 4.390 9.962 ( -2.799 0.888 -1.169) 3.161 9.997 ( -1.725 -1.347 1.011) 2.411 10.065 ( 1.109 -1.262 -1.700) 2.390 10.243 ( 0.487 1.627 -1.244) 2.105 10.284 ( -6.777 2.038 -0.640) 7.105 10.647 ( 1.840 -1.431 1.007) 2.539 10.754 ( -3.715 1.252 -0.925) 4.028 10.813 ( 2.417 -3.452 -2.557) 4.929 10.994 ( -0.436 -2.786 0.845) 2.944 11.040 ( -0.822 1.954 0.330) 2.145 11.051 ( -3.165 -1.198 0.498) 3.421 11.358 ( 0.752 1.920 0.776) 2.204 11.614 ( 0.395 0.846 -0.535) 1.077 11.697 ( -0.466 -1.989 -0.671) 2.151 16.017 ( 6.498 -1.904 1.323) 6.899 16.445 ( -4.838 10.262 -4.328) 12.142 16.535 ( 1.303 -1.267 0.912) 2.033 16.797 ( 1.488 -4.967 2.957) 5.969 17.448 ( 2.989 -8.204 0.229) 8.734 17.683 ( -0.518 6.503 2.157) 6.871 ======================= Grid point 19 (14/100) ======================= q-point: (-0.29 0.29 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.305 ( 0.000 15.394 0.000) 15.394 1.398 ( 0.000 14.408 0.000) 14.408 1.472 ( 0.000 8.967 0.000) 8.967 1.712 ( -0.000 -2.292 -0.000) 2.292 1.827 ( 0.000 12.569 0.000) 12.569 1.905 ( -0.000 -1.807 -0.000) 1.807 2.093 ( -0.000 -1.843 -0.000) 1.843 2.201 ( 0.000 11.803 0.000) 11.803 2.207 ( 0.000 4.153 0.000) 4.153 2.420 ( 0.000 7.095 0.000) 7.095 2.561 ( 0.000 2.756 0.000) 2.756 2.642 ( -0.000 -4.872 -0.000) 4.872 2.764 ( 0.000 1.684 0.000) 1.684 2.977 ( 0.000 14.014 0.000) 14.014 2.990 ( -0.000 -2.007 -0.000) 2.007 3.109 ( 0.000 0.453 0.000) 0.453 3.119 ( -0.000 -1.939 -0.000) 1.939 3.305 ( 0.000 6.249 0.000) 6.249 3.344 ( -0.000 -7.371 -0.000) 7.371 3.561 ( 0.000 7.916 0.000) 7.916 3.615 ( -0.000 -5.020 -0.000) 5.020 3.670 ( 0.000 0.205 0.000) 0.205 3.775 ( 0.000 1.051 0.000) 1.051 3.799 ( -0.000 -6.610 -0.000) 6.610 3.802 ( -0.000 -3.190 -0.000) 3.190 3.905 ( -0.000 -2.431 -0.000) 2.431 4.067 ( -0.000 -1.759 -0.000) 1.759 4.128 ( -0.000 -0.803 -0.000) 0.803 4.345 ( -0.000 -2.817 -0.000) 2.817 4.369 ( 0.000 3.986 0.000) 3.986 4.376 ( 0.000 5.225 0.000) 5.225 4.488 ( 0.000 6.715 0.000) 6.715 4.557 ( 0.000 5.096 0.000) 5.096 4.670 ( -0.000 -4.706 -0.000) 4.706 4.799 ( -0.000 -10.498 -0.000) 10.498 4.931 ( 0.000 5.979 0.000) 5.979 5.027 ( 0.000 0.678 0.000) 0.678 5.045 ( 0.000 1.042 0.000) 1.042 5.115 ( 0.000 0.996 0.000) 0.996 5.121 ( 0.000 1.671 0.000) 1.671 5.361 ( -0.000 -4.338 -0.000) 4.338 5.463 ( 0.000 2.460 0.000) 2.460 5.544 ( 0.000 0.334 0.000) 0.334 5.551 ( 0.000 5.552 0.000) 5.552 5.734 ( -0.000 -0.317 -0.000) 0.317 5.834 ( -0.000 -7.720 -0.000) 7.720 5.890 ( -0.000 -3.550 -0.000) 3.550 6.116 ( -0.000 -9.569 -0.000) 9.569 6.143 ( -0.000 -3.516 -0.000) 3.516 6.352 ( -0.000 -8.270 -0.000) 8.270 6.386 ( 0.000 3.627 0.000) 3.627 6.481 ( 0.000 5.149 0.000) 5.149 6.593 ( -0.000 -8.459 -0.000) 8.459 6.824 ( 0.000 5.295 0.000) 5.295 6.871 ( 0.000 0.330 0.000) 0.330 7.033 ( -0.000 -0.200 -0.000) 0.200 7.050 ( -0.000 -5.097 -0.000) 5.097 7.177 ( -0.000 -2.892 -0.000) 2.892 7.362 ( -0.000 -2.640 -0.000) 2.640 7.519 ( 0.000 7.390 0.000) 7.390 7.656 ( -0.000 -1.369 -0.000) 1.369 7.767 ( 0.000 1.194 0.000) 1.194 8.038 ( 0.000 4.964 0.000) 4.964 8.075 ( -0.000 -0.101 -0.000) 0.101 8.171 ( -0.000 -1.321 -0.000) 1.321 8.200 ( 0.000 0.354 0.000) 0.354 9.545 ( -0.000 -0.814 -0.000) 0.814 9.608 ( 0.000 0.726 0.000) 0.726 9.751 ( 0.000 4.034 0.000) 4.034 9.911 ( 0.000 0.336 0.000) 0.336 9.928 ( 0.000 0.887 0.000) 0.887 9.993 ( 0.000 0.067 0.000) 0.067 10.072 ( -0.000 -0.112 -0.000) 0.112 10.214 ( 0.000 2.171 0.000) 2.171 10.220 ( 0.000 0.737 0.000) 0.737 10.684 ( 0.000 1.221 0.000) 1.221 10.719 ( -0.000 -3.082 -0.000) 3.082 10.868 ( -0.000 -3.759 -0.000) 3.759 10.997 ( 0.000 3.461 0.000) 3.461 11.012 ( -0.000 -0.750 -0.000) 0.750 11.066 ( -0.000 -2.419 -0.000) 2.419 11.345 ( 0.000 1.401 0.000) 1.401 11.599 ( 0.000 1.196 0.000) 1.196 11.713 ( -0.000 -0.986 -0.000) 0.986 16.118 ( -0.000 -5.062 -0.000) 5.062 16.236 ( 0.000 11.642 0.000) 11.642 16.577 ( -0.000 -2.673 -0.000) 2.673 16.900 ( -0.000 -6.798 -0.000) 6.798 17.565 ( -0.000 -6.808 -0.000) 6.808 17.582 ( 0.000 9.452 0.000) 9.452 ======================= Grid point 24 (15/100) ======================= q-point: ( 0.43 0.43 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.431 ( -0.453 -0.000 3.518) 3.547 1.553 ( -4.717 -0.000 0.002) 4.717 1.747 ( -5.166 -0.000 -0.189) 5.169 1.757 ( 3.202 0.000 -4.053) 5.165 1.917 ( 0.672 0.000 6.034) 6.071 2.040 ( -2.270 -0.000 -0.827) 2.416 2.238 ( 5.264 0.000 7.317) 9.014 2.386 ( -2.833 -0.000 -0.628) 2.902 2.413 ( 0.615 0.000 -2.228) 2.311 2.581 ( 6.262 0.000 -1.762) 6.505 2.592 ( 3.310 0.000 5.606) 6.510 2.645 ( 0.203 0.000 -0.071) 0.215 2.715 ( -4.075 -0.000 1.760) 4.439 2.824 ( 5.249 0.000 0.754) 5.303 3.013 ( 0.846 0.000 0.408) 0.939 3.121 ( -1.007 -0.000 -0.059) 1.009 3.254 ( 1.788 0.000 2.568) 3.129 3.360 ( 5.839 0.000 -0.473) 5.858 3.418 ( -0.664 -0.000 3.089) 3.160 3.462 ( 2.356 0.000 -0.409) 2.391 3.527 ( -0.360 -0.000 1.350) 1.398 3.684 ( -1.852 -0.000 -7.095) 7.333 3.734 ( -3.974 -0.000 2.055) 4.474 3.746 ( -3.022 -0.000 -3.942) 4.968 3.832 ( 10.107 0.000 3.318) 10.638 4.064 ( -1.868 -0.000 0.109) 1.871 4.072 ( -3.714 -0.000 2.375) 4.409 4.170 ( 2.537 0.000 -1.855) 3.143 4.214 ( -6.782 -0.000 -5.630) 8.814 4.413 ( -1.716 -0.000 1.441) 2.241 4.432 ( 1.045 0.000 2.353) 2.574 4.481 ( 2.845 0.000 4.028) 4.932 4.616 ( 0.343 0.000 0.257) 0.429 4.655 ( 0.638 0.000 -2.613) 2.690 4.718 ( 7.188 0.000 0.539) 7.208 4.719 ( -2.118 -0.000 -0.451) 2.165 4.981 ( 4.482 0.000 7.043) 8.348 5.032 ( 4.231 0.000 -3.742) 5.648 5.290 ( -5.852 -0.000 -2.090) 6.214 5.309 ( -3.298 -0.000 -2.868) 4.371 5.471 ( 3.286 0.000 -5.396) 6.318 5.504 ( -1.831 -0.000 2.303) 2.942 5.545 ( -7.183 -0.000 3.404) 7.948 5.569 ( -0.429 -0.000 0.782) 0.891 5.799 ( 3.330 0.000 1.629) 3.707 5.807 ( -1.207 -0.000 0.598) 1.347 5.832 ( 1.819 0.000 -8.484) 8.677 5.933 ( -2.998 -0.000 0.258) 3.009 5.945 ( -0.425 -0.000 -0.855) 0.955 6.141 ( -2.143 -0.000 1.160) 2.437 6.143 ( -0.403 -0.000 0.356) 0.538 6.537 ( 0.382 0.000 0.101) 0.395 6.735 ( 9.662 0.000 0.522) 9.676 6.815 ( 0.833 0.000 -2.287) 2.434 6.853 ( -2.582 -0.000 4.841) 5.487 7.022 ( -6.692 -0.000 -0.614) 6.720 7.064 ( -0.203 -0.000 0.180) 0.271 7.086 ( -3.711 -0.000 -4.520) 5.848 7.288 ( 2.156 0.000 -0.977) 2.367 7.598 ( -1.839 -0.000 2.141) 2.822 7.719 ( 5.569 0.000 0.596) 5.601 7.722 ( -0.544 -0.000 -0.524) 0.756 8.096 ( -1.351 -0.000 -0.790) 1.565 8.123 ( 0.710 0.000 0.543) 0.894 8.166 ( 1.655 0.000 -1.379) 2.154 8.176 ( 0.576 0.000 -0.473) 0.745 9.529 ( -0.050 -0.000 -0.209) 0.215 9.619 ( 0.396 0.000 0.515) 0.650 9.825 ( 3.204 0.000 4.476) 5.505 9.893 ( 0.803 0.000 2.591) 2.712 9.975 ( 2.583 0.000 0.123) 2.586 9.987 ( -4.856 -0.000 -1.989) 5.247 10.043 ( 1.464 0.000 -0.926) 1.732 10.259 ( 1.800 0.000 -2.391) 2.993 10.332 ( -8.798 -0.000 1.462) 8.919 10.608 ( -0.899 -0.000 1.400) 1.664 10.761 ( 1.828 0.000 -2.148) 2.821 10.846 ( -0.680 -0.000 0.309) 0.747 10.873 ( -1.276 -0.000 -0.090) 1.279 11.030 ( -2.113 -0.000 0.285) 2.132 11.086 ( -0.324 -0.000 0.260) 0.415 11.394 ( 0.064 0.000 -0.085) 0.106 11.619 ( 0.748 0.000 0.871) 1.148 11.663 ( -0.634 -0.000 -1.743) 1.855 15.991 ( 6.046 0.000 0.565) 6.072 16.514 ( 2.438 0.000 0.254) 2.451 16.633 ( -3.872 -0.000 -4.906) 6.250 16.727 ( -0.197 -0.000 2.980) 2.986 17.297 ( 2.946 0.000 1.785) 3.444 17.771 ( 0.404 0.000 1.953) 1.994 ======================= Grid point 25 (16/100) ======================= q-point: (-0.43 0.43 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.458 ( 0.000 2.507 0.000) 2.507 1.531 ( -0.000 -6.343 -0.000) 6.343 1.671 ( 0.000 6.345 0.000) 6.345 1.783 ( -0.000 -2.344 -0.000) 2.344 1.868 ( 0.000 11.165 0.000) 11.165 2.029 ( -0.000 -0.343 -0.000) 0.343 2.193 ( 0.000 10.875 0.000) 10.875 2.363 ( 0.000 4.340 0.000) 4.340 2.412 ( -0.000 -1.345 -0.000) 1.345 2.606 ( 0.000 2.289 0.000) 2.289 2.623 ( 0.000 3.446 0.000) 3.446 2.645 ( 0.000 3.499 0.000) 3.499 2.689 ( -0.000 -2.644 -0.000) 2.644 2.869 ( -0.000 -3.000 -0.000) 3.000 3.044 ( -0.000 -3.469 -0.000) 3.469 3.111 ( -0.000 -0.768 -0.000) 0.768 3.257 ( 0.000 2.161 0.000) 2.161 3.380 ( 0.000 8.351 0.000) 8.351 3.412 ( -0.000 -3.437 -0.000) 3.437 3.489 ( 0.000 5.482 0.000) 5.482 3.518 ( -0.000 -6.176 -0.000) 6.176 3.686 ( -0.000 -5.133 -0.000) 5.133 3.717 ( -0.000 -0.687 -0.000) 0.687 3.741 ( -0.000 -2.195 -0.000) 2.195 3.933 ( 0.000 6.991 0.000) 6.991 3.981 ( 0.000 4.962 0.000) 4.962 4.038 ( 0.000 0.093 0.000) 0.093 4.073 ( 0.000 2.779 0.000) 2.779 4.251 ( -0.000 -5.390 -0.000) 5.390 4.362 ( 0.000 0.597 0.000) 0.597 4.491 ( 0.000 2.824 0.000) 2.824 4.514 ( 0.000 5.001 0.000) 5.001 4.548 ( -0.000 -7.929 -0.000) 7.929 4.680 ( 0.000 0.407 0.000) 0.407 4.735 ( 0.000 3.431 0.000) 3.431 4.824 ( -0.000 -11.983 -0.000) 11.983 4.992 ( 0.000 2.238 0.000) 2.238 5.153 ( 0.000 5.504 0.000) 5.504 5.187 ( -0.000 -5.236 -0.000) 5.236 5.237 ( 0.000 1.296 0.000) 1.296 5.386 ( 0.000 9.979 0.000) 9.979 5.447 ( 0.000 1.624 0.000) 1.624 5.598 ( -0.000 -0.593 -0.000) 0.593 5.613 ( -0.000 -5.508 -0.000) 5.508 5.724 ( 0.000 3.706 0.000) 3.706 5.800 ( 0.000 6.054 0.000) 6.054 5.849 ( -0.000 -0.496 -0.000) 0.496 5.885 ( -0.000 -5.416 -0.000) 5.416 6.048 ( -0.000 -10.459 -0.000) 10.459 6.120 ( 0.000 0.924 0.000) 0.924 6.236 ( -0.000 -10.877 -0.000) 10.877 6.525 ( 0.000 2.691 0.000) 2.691 6.728 ( 0.000 8.108 0.000) 8.108 6.831 ( -0.000 -2.870 -0.000) 2.870 6.897 ( -0.000 -1.659 -0.000) 1.659 6.961 ( -0.000 -0.270 -0.000) 0.270 7.045 ( 0.000 0.080 0.000) 0.080 7.081 ( -0.000 -2.400 -0.000) 2.400 7.308 ( -0.000 -1.612 -0.000) 1.612 7.605 ( -0.000 -1.657 -0.000) 1.657 7.686 ( 0.000 4.446 0.000) 4.446 7.761 ( -0.000 -0.735 -0.000) 0.735 8.080 ( 0.000 0.425 0.000) 0.425 8.135 ( -0.000 -1.125 -0.000) 1.125 8.153 ( 0.000 2.735 0.000) 2.735 8.185 ( -0.000 -1.010 -0.000) 1.010 9.530 ( -0.000 -0.313 -0.000) 0.313 9.622 ( 0.000 0.257 0.000) 0.257 9.854 ( 0.000 3.224 0.000) 3.224 9.920 ( -0.000 -1.223 -0.000) 1.223 9.927 ( 0.000 0.581 0.000) 0.581 9.994 ( 0.000 0.081 0.000) 0.081 10.055 ( -0.000 -0.786 -0.000) 0.786 10.261 ( 0.000 1.030 0.000) 1.030 10.262 ( 0.000 1.928 0.000) 1.928 10.631 ( -0.000 -3.077 -0.000) 3.077 10.774 ( 0.000 5.474 0.000) 5.474 10.777 ( -0.000 -2.133 -0.000) 2.133 10.936 ( -0.000 -5.766 -0.000) 5.766 11.020 ( -0.000 -0.246 -0.000) 0.246 11.073 ( 0.000 1.829 0.000) 1.829 11.385 ( 0.000 1.289 0.000) 1.289 11.626 ( 0.000 0.670 0.000) 0.670 11.662 ( -0.000 -1.959 -0.000) 1.959 16.039 ( -0.000 -1.316 -0.000) 1.316 16.525 ( 0.000 6.260 0.000) 6.260 16.535 ( 0.000 1.419 0.000) 1.419 16.761 ( -0.000 -3.181 -0.000) 3.181 17.368 ( -0.000 -6.414 -0.000) 6.414 17.757 ( 0.000 3.586 0.000) 3.586 ======================= Grid point 49 (17/100) ======================= q-point: ( 0.00 0.00 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.521 ( 1.702 0.000 24.220) 24.280 0.701 ( 2.840 0.000 33.052) 33.173 0.996 ( -12.409 -0.000 45.606) 47.264 1.560 ( 3.638 0.000 2.626) 4.487 1.811 ( 6.639 0.000 6.954) 9.615 1.902 ( 0.728 0.000 -6.407) 6.448 2.096 ( -5.377 -0.000 -1.136) 5.496 2.125 ( 6.692 0.000 -2.690) 7.212 2.360 ( 2.501 0.000 -7.128) 7.554 2.429 ( -2.524 -0.000 0.649) 2.606 2.449 ( 1.199 0.000 0.883) 1.489 2.540 ( 1.310 0.000 -0.581) 1.433 2.706 ( 1.726 0.000 10.249) 10.394 2.746 ( 2.886 0.000 -4.821) 5.619 3.009 ( 2.764 0.000 -0.624) 2.834 3.044 ( -11.877 -0.000 1.999) 12.044 3.184 ( -0.955 -0.000 2.083) 2.291 3.377 ( 2.062 0.000 -1.331) 2.454 3.417 ( -3.958 -0.000 1.378) 4.191 3.503 ( 1.256 0.000 4.503) 4.675 3.642 ( -1.803 -0.000 -4.288) 4.652 3.683 ( -1.007 -0.000 -3.528) 3.669 3.692 ( -1.271 -0.000 -1.833) 2.231 3.768 ( -0.578 -0.000 0.114) 0.589 3.899 ( 5.235 0.000 -3.049) 6.058 3.959 ( 1.501 0.000 -1.727) 2.289 4.003 ( -2.490 -0.000 0.863) 2.635 4.081 ( 10.854 0.000 -3.444) 11.387 4.237 ( -2.094 -0.000 5.986) 6.341 4.294 ( -0.122 -0.000 1.921) 1.925 4.412 ( -1.779 -0.000 2.815) 3.330 4.475 ( -4.688 -0.000 -6.844) 8.296 4.608 ( -3.164 -0.000 5.057) 5.965 4.770 ( 0.053 0.000 2.336) 2.337 4.845 ( 13.263 0.000 -8.982) 16.018 4.920 ( 0.573 0.000 3.085) 3.138 5.071 ( -7.519 -0.000 6.076) 9.667 5.075 ( -1.787 -0.000 -4.910) 5.226 5.159 ( 4.819 0.000 0.224) 4.824 5.261 ( 1.022 0.000 1.130) 1.524 5.381 ( -2.184 -0.000 0.382) 2.217 5.446 ( 7.114 0.000 7.166) 10.098 5.491 ( 4.061 0.000 2.635) 4.842 5.577 ( -8.501 -0.000 5.299) 10.017 5.806 ( 0.729 0.000 -3.660) 3.732 5.979 ( -1.286 -0.000 0.457) 1.365 6.062 ( -8.444 -0.000 -3.132) 9.006 6.067 ( 1.723 0.000 -10.017) 10.164 6.130 ( -15.812 -0.000 2.202) 15.965 6.263 ( 7.735 0.000 -6.634) 10.191 6.443 ( 3.349 0.000 -7.000) 7.760 6.447 ( -10.073 -0.000 3.562) 10.684 6.666 ( 3.242 0.000 -5.955) 6.780 6.814 ( 5.394 0.000 -0.293) 5.402 6.885 ( -3.771 -0.000 -6.426) 7.450 7.122 ( -2.206 -0.000 1.404) 2.615 7.124 ( -2.391 -0.000 1.257) 2.702 7.201 ( -4.586 -0.000 2.551) 5.248 7.373 ( 6.760 0.000 2.194) 7.107 7.493 ( 0.236 0.000 -2.548) 2.559 7.569 ( -6.427 -0.000 1.297) 6.557 7.653 ( 0.094 0.000 1.036) 1.040 7.872 ( 2.093 0.000 2.462) 3.232 8.104 ( -1.941 -0.000 0.716) 2.069 8.144 ( -0.947 -0.000 -0.557) 1.099 8.206 ( -0.107 -0.000 -0.644) 0.653 9.560 ( 0.757 0.000 0.619) 0.978 9.627 ( -1.124 -0.000 2.062) 2.348 9.654 ( 1.363 0.000 0.904) 1.636 9.662 ( -6.740 -0.000 -0.398) 6.751 9.967 ( 1.332 0.000 0.455) 1.407 9.988 ( 0.197 0.000 1.061) 1.080 10.158 ( 1.103 0.000 -1.199) 1.629 10.208 ( 1.652 0.000 -1.891) 2.511 10.696 ( 0.239 0.000 -0.106) 0.262 10.775 ( 59.414 0.000 0.091) 59.414 10.801 ( -2.566 -0.000 1.224) 2.843 10.872 ( -0.304 -0.000 0.323) 0.443 10.928 ( 0.902 0.000 0.377) 0.977 11.170 ( -0.404 -0.000 -1.319) 1.380 11.174 ( -11.647 -0.000 -1.056) 11.695 11.203 ( 0.045 0.000 -0.238) 0.242 11.360 ( 0.425 0.000 0.093) 0.435 11.545 ( 1.776 0.000 -1.827) 2.547 16.098 ( -53.109 -0.000 0.742) 53.114 16.132 ( 2.277 0.000 0.171) 2.284 16.485 ( -0.883 -0.000 1.465) 1.710 17.072 ( 1.918 0.000 -4.224) 4.639 17.228 ( -10.650 -0.000 5.182) 11.844 17.522 ( 4.400 0.000 1.281) 4.583 ======================= Grid point 50 (18/100) ======================= q-point: ( 0.14 0.00 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 172 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.780 ( 10.866 13.765 28.235) 33.238 0.968 ( 8.357 -6.366 25.678) 27.744 1.529 ( 6.133 -22.211 29.091) 37.111 1.637 ( 8.144 2.423 2.181) 8.772 1.800 ( 2.476 3.975 -4.780) 6.692 1.964 ( 3.443 0.171 7.455) 8.213 2.027 ( -4.021 -1.500 -2.168) 4.808 2.124 ( 5.380 4.268 -4.805) 8.382 2.266 ( 1.795 3.525 0.880) 4.053 2.449 ( -1.359 -1.673 0.994) 2.373 2.512 ( 0.889 -3.072 4.131) 5.224 2.636 ( 0.428 -8.913 -3.754) 9.680 2.728 ( 0.771 0.623 -1.426) 1.737 2.796 ( -1.368 -1.616 0.384) 2.151 2.924 ( -9.535 -0.783 4.747) 10.680 3.057 ( 2.839 -2.198 -0.073) 3.591 3.160 ( 0.371 1.902 1.018) 2.189 3.325 ( -2.136 5.147 0.707) 5.618 3.396 ( -1.224 1.751 -0.601) 2.219 3.500 ( 1.829 2.298 -4.161) 5.093 3.579 ( -4.744 1.917 -2.526) 5.706 3.627 ( -2.341 -0.492 1.054) 2.614 3.660 ( 3.984 2.410 -4.121) 6.218 3.831 ( 3.302 -2.753 -1.472) 4.544 3.963 ( 5.561 -1.129 -1.573) 5.888 3.998 ( 2.209 -5.146 -2.630) 6.187 4.031 ( 1.354 -3.187 1.755) 3.883 4.142 ( 1.801 -1.575 -2.634) 3.558 4.234 ( -2.415 1.896 4.334) 5.311 4.268 ( -5.446 1.985 4.093) 7.096 4.352 ( -6.244 -1.410 -2.972) 7.058 4.457 ( 0.543 -1.154 2.727) 3.010 4.564 ( -3.285 6.385 6.216) 9.497 4.759 ( -2.707 3.753 5.259) 7.004 4.873 ( 2.789 5.129 -4.034) 7.096 4.924 ( 7.668 -0.568 -3.377) 8.398 5.022 ( -2.960 -0.407 -5.255) 6.045 5.090 ( -5.336 -3.366 3.200) 7.074 5.236 ( 8.745 -0.063 -0.853) 8.786 5.260 ( -8.719 0.305 2.943) 9.207 5.340 ( 3.131 -3.756 -0.813) 4.957 5.483 ( -1.353 5.572 6.531) 8.691 5.576 ( 8.062 3.135 2.979) 9.149 5.591 ( 1.016 0.081 4.197) 4.319 5.750 ( -2.595 2.841 -3.957) 5.519 5.917 ( 1.412 6.719 -7.955) 10.508 5.947 ( -2.928 -1.943 0.424) 3.539 5.994 ( -9.300 -4.038 1.091) 10.197 6.156 ( -1.426 -6.239 -3.053) 7.090 6.228 ( 2.600 3.684 -8.454) 9.581 6.420 ( 2.679 -3.510 -9.251) 10.250 6.469 ( -3.634 -8.908 4.661) 10.691 6.633 ( -1.969 3.433 -0.458) 3.984 6.746 ( 2.921 6.435 -7.800) 10.525 6.900 ( 0.907 -1.766 1.003) 2.225 7.109 ( -0.527 0.276 0.350) 0.690 7.139 ( -1.785 -3.425 1.125) 4.023 7.181 ( -3.412 -1.611 1.826) 4.192 7.407 ( 4.298 4.314 -0.401) 6.103 7.472 ( -2.731 1.515 0.267) 3.135 7.554 ( -2.776 -5.088 1.393) 5.961 7.681 ( 2.628 -0.167 1.090) 2.850 7.941 ( 2.762 -2.004 2.212) 4.067 8.083 ( -0.676 1.191 -0.306) 1.403 8.140 ( -0.294 -1.572 -0.834) 1.804 8.205 ( 0.155 -0.447 -0.552) 0.727 9.561 ( 0.769 1.435 1.555) 2.251 9.611 ( -4.001 -0.564 0.301) 4.052 9.634 ( -0.053 -0.048 1.369) 1.370 9.711 ( 1.657 -2.752 1.226) 3.439 9.967 ( 0.032 0.238 0.034) 0.243 9.998 ( -0.329 -0.068 0.688) 0.766 10.156 ( 1.343 0.756 -1.389) 2.075 10.214 ( 1.674 -0.265 -1.186) 2.069 10.664 ( -3.694 4.098 1.108) 5.627 10.741 ( -0.746 6.045 1.698) 6.323 10.840 ( 2.132 4.170 1.398) 4.888 10.915 ( -3.905 -0.825 0.234) 3.998 10.999 ( -4.478 3.067 3.663) 6.548 11.074 ( 8.741 2.641 -2.560) 9.484 11.170 ( 11.323 7.808 -1.037) 13.793 11.233 ( -0.960 -2.993 -0.908) 3.272 11.470 ( 4.788 -6.172 -6.640) 10.252 11.590 ( 4.152 -4.431 -3.618) 7.069 15.839 ( -16.892 -9.658 6.025) 20.369 16.238 ( 0.959 -8.481 -2.117) 8.794 16.485 ( 2.811 5.422 4.359) 7.504 17.111 ( -2.357 0.862 -1.816) 3.098 17.132 ( -4.449 -4.762 0.748) 6.560 17.599 ( 3.600 -1.445 1.320) 4.097 ======================= Grid point 51 (19/100) ======================= q-point: ( 0.29 0.00 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 172 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.899 ( 5.628 15.384 28.714) 33.058 1.388 ( 13.033 -11.245 15.733) 23.320 1.602 ( 2.010 4.683 -5.864) 7.770 1.762 ( -1.572 2.820 1.119) 3.417 1.857 ( 11.076 2.944 0.349) 11.465 2.037 ( -0.123 -3.748 -0.495) 3.782 2.133 ( 2.800 -1.502 7.754) 8.380 2.208 ( 5.560 -3.027 3.153) 7.072 2.286 ( 1.580 -5.082 5.116) 7.382 2.405 ( -3.116 1.649 -2.276) 4.196 2.567 ( -5.210 3.443 -1.154) 6.351 2.631 ( -2.961 -4.043 5.328) 7.314 2.724 ( 1.178 0.444 -1.190) 1.732 2.815 ( -1.256 -8.605 -3.175) 9.257 2.939 ( -0.488 2.080 6.064) 6.429 3.105 ( -0.656 -4.446 -0.854) 4.575 3.165 ( 0.075 4.550 4.709) 6.548 3.287 ( 4.435 -4.653 -3.102) 7.137 3.362 ( 1.049 1.013 -4.960) 5.170 3.424 ( -0.855 5.313 -0.055) 5.382 3.523 ( -0.754 -1.443 -2.656) 3.115 3.599 ( -2.572 -0.650 -1.845) 3.232 3.689 ( 9.248 2.165 -0.667) 9.521 3.871 ( 2.471 -0.391 -1.613) 2.977 3.931 ( -3.817 4.674 -3.762) 7.111 4.052 ( -2.879 1.085 0.268) 3.088 4.075 ( -2.359 -1.338 -1.682) 3.191 4.125 ( 1.750 -4.336 -1.251) 4.840 4.213 ( -6.541 0.360 6.740) 9.399 4.297 ( -1.770 -2.272 3.617) 4.623 4.318 ( -0.905 -3.608 1.999) 4.223 4.459 ( 3.115 3.402 -0.525) 4.642 4.531 ( -1.638 4.358 7.840) 9.118 4.727 ( -2.110 3.193 1.479) 4.103 4.805 ( -1.605 0.791 0.239) 1.805 4.897 ( -8.017 2.922 -3.380) 9.178 4.955 ( -1.244 -0.166 -0.616) 1.398 5.104 ( 5.012 -2.268 -3.715) 6.638 5.228 ( -3.677 1.781 3.765) 5.556 5.347 ( 8.098 -1.813 -0.713) 8.330 5.394 ( 0.876 -0.691 0.325) 1.162 5.454 ( -0.892 4.374 1.429) 4.687 5.539 ( 1.563 3.294 -3.184) 4.841 5.659 ( 4.452 1.390 1.116) 4.796 5.702 ( 1.372 -2.703 -0.196) 3.038 5.800 ( 0.066 5.667 -5.715) 8.049 5.938 ( -0.851 0.555 -2.482) 2.682 5.971 ( -5.055 -3.393 1.585) 6.291 6.117 ( 0.674 1.369 -6.329) 6.510 6.225 ( -1.424 -7.414 -1.943) 7.796 6.447 ( 2.966 -5.555 -6.841) 9.298 6.525 ( -2.670 6.626 -0.680) 7.176 6.621 ( 4.135 1.278 -4.158) 6.001 6.662 ( -1.465 -6.426 5.340) 8.483 6.911 ( -2.046 0.911 2.811) 3.594 7.081 ( -3.293 2.691 0.407) 4.272 7.187 ( 0.100 -2.557 2.456) 3.546 7.204 ( -1.093 -4.226 0.069) 4.366 7.359 ( -1.927 1.843 -2.781) 3.852 7.455 ( 3.464 2.663 1.289) 4.556 7.596 ( -3.173 -3.566 1.860) 5.123 7.720 ( 2.748 0.172 0.668) 2.833 8.000 ( 1.514 -0.854 1.478) 2.282 8.062 ( 0.551 0.861 -0.816) 1.308 8.162 ( 0.719 -2.448 -1.188) 2.814 8.211 ( -0.012 -0.686 -0.028) 0.686 9.565 ( -0.212 0.367 0.590) 0.726 9.590 ( -1.350 -0.217 0.884) 1.628 9.643 ( 0.642 0.781 0.831) 1.309 9.759 ( 1.133 -0.461 1.030) 1.599 9.976 ( 0.819 -1.174 -0.369) 1.478 9.995 ( 0.184 0.601 0.663) 0.914 10.149 ( 0.500 0.108 -1.516) 1.600 10.224 ( 0.846 0.170 -0.687) 1.104 10.542 ( -4.778 8.117 4.024) 10.243 10.689 ( -0.492 1.126 -2.347) 2.649 10.832 ( 0.284 1.319 1.265) 1.849 10.874 ( -6.232 -1.989 0.770) 6.587 11.000 ( 0.405 -0.546 1.793) 1.918 11.065 ( 0.686 1.987 -1.739) 2.728 11.189 ( 6.644 5.615 1.375) 8.807 11.244 ( 1.280 -0.813 -1.890) 2.423 11.523 ( 3.573 -2.939 -4.674) 6.576 11.651 ( 4.053 -2.799 -4.755) 6.847 15.872 ( -6.883 -7.149 3.177) 10.420 16.333 ( 3.197 -5.136 -1.997) 6.371 16.506 ( 3.787 2.483 5.647) 7.239 16.960 ( -9.713 5.778 1.978) 11.474 17.256 ( 4.074 -9.656 -3.981) 11.210 17.638 ( 2.242 2.231 1.389) 3.455 ======================= Grid point 52 (20/100) ======================= q-point: ( 0.43 0.00 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 172 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.958 ( 2.452 16.331 25.359) 30.262 1.526 ( 1.370 1.010 -8.150) 8.326 1.690 ( 0.078 2.407 -1.846) 3.034 1.751 ( 6.660 -9.463 5.854) 12.968 1.874 ( -4.675 7.076 -2.139) 8.746 2.052 ( -0.068 2.069 3.710) 4.249 2.108 ( -1.355 -0.361 2.164) 2.579 2.289 ( -1.114 3.982 -8.379) 9.344 2.306 ( 7.958 2.988 4.923) 9.823 2.381 ( -10.567 -2.581 1.153) 10.938 2.446 ( 2.224 2.362 -3.067) 4.464 2.697 ( -1.290 0.735 1.992) 2.484 2.752 ( 0.674 -2.640 0.657) 2.803 2.881 ( -3.331 -2.625 3.359) 5.410 2.928 ( 2.157 5.877 3.558) 7.201 3.125 ( -1.002 0.398 -1.472) 1.824 3.156 ( -1.174 -1.995 -1.261) 2.636 3.314 ( 0.744 0.239 -4.116) 4.190 3.381 ( 4.422 -0.292 -1.264) 4.609 3.442 ( 6.750 -2.694 -0.939) 7.328 3.542 ( 1.600 -0.657 0.697) 1.865 3.590 ( 0.340 -4.187 -2.559) 4.919 3.764 ( 4.814 2.991 -3.258) 6.538 3.792 ( -0.111 -1.465 0.125) 1.474 3.874 ( -3.279 1.282 5.026) 6.136 3.966 ( -2.646 2.939 0.127) 3.957 4.019 ( -6.984 0.928 -0.012) 7.045 4.178 ( -7.511 -3.162 2.929) 8.660 4.199 ( 0.830 1.446 1.972) 2.582 4.334 ( 3.819 -2.773 0.615) 4.760 4.393 ( 1.412 0.199 0.870) 1.671 4.464 ( -5.009 -1.138 5.383) 7.440 4.557 ( 5.080 -1.381 1.988) 5.627 4.617 ( -4.505 6.199 3.419) 8.391 4.775 ( -1.821 3.309 -0.922) 3.888 4.874 ( -0.070 -7.851 -0.772) 7.889 4.927 ( -2.587 0.076 1.119) 2.820 5.090 ( -1.998 7.242 -0.238) 7.516 5.198 ( 3.304 1.027 -0.846) 3.562 5.383 ( 3.620 0.423 -1.041) 3.790 5.386 ( -1.682 0.907 -4.657) 5.034 5.453 ( 2.170 1.044 -4.611) 5.202 5.521 ( -0.120 -3.516 1.734) 3.922 5.606 ( -0.927 3.808 -7.937) 8.852 5.761 ( 4.214 -0.218 0.773) 4.290 5.802 ( 3.840 -3.984 1.477) 5.727 5.892 ( 0.652 -0.835 -5.365) 5.469 5.975 ( -2.691 0.137 1.823) 3.253 6.078 ( 1.865 0.286 -4.100) 4.513 6.314 ( 0.042 -3.412 0.679) 3.479 6.398 ( -1.682 4.285 0.687) 4.654 6.517 ( 3.030 -5.469 -2.590) 6.767 6.573 ( 4.135 1.047 -4.742) 6.378 6.859 ( -0.697 -9.769 7.081) 12.086 6.894 ( -1.350 0.682 1.425) 2.078 6.966 ( -7.455 6.033 2.000) 9.797 7.192 ( -3.267 -0.245 0.140) 3.279 7.269 ( 0.202 -3.961 0.748) 4.036 7.323 ( -1.395 -0.780 0.462) 1.663 7.470 ( 5.393 3.855 -0.311) 6.636 7.611 ( -1.991 -1.181 2.348) 3.298 7.744 ( 0.914 0.046 0.796) 1.212 8.009 ( -0.837 0.881 -0.431) 1.289 8.070 ( 1.497 -0.886 0.054) 1.740 8.189 ( 0.072 -2.122 -0.987) 2.342 8.219 ( -0.293 -0.271 0.461) 0.609 9.558 ( -0.634 -0.183 -0.107) 0.669 9.591 ( 0.207 0.659 0.917) 1.148 9.633 ( 0.638 1.871 -0.695) 2.096 9.770 ( 1.341 1.687 1.183) 2.459 9.992 ( 0.346 -0.114 1.087) 1.146 10.020 ( 2.357 -0.953 0.001) 2.542 10.135 ( -1.842 -1.414 -2.389) 3.331 10.210 ( -0.109 1.788 -0.409) 1.838 10.438 ( -3.744 4.544 1.975) 6.210 10.657 ( 1.293 0.324 -4.516) 4.708 10.821 ( -2.087 -0.473 0.626) 2.230 10.856 ( -4.025 -2.204 1.537) 4.840 11.009 ( 0.881 2.522 -0.988) 2.848 11.043 ( -0.026 -0.543 0.416) 0.684 11.182 ( 0.092 1.719 0.183) 1.731 11.260 ( 4.631 1.984 -0.872) 5.113 11.558 ( 2.232 -2.409 -3.335) 4.681 11.678 ( 3.194 -1.224 -4.722) 5.831 15.910 ( -2.860 -3.286 3.424) 5.541 16.405 ( 2.302 -2.533 -0.132) 3.425 16.569 ( -0.011 -0.592 2.344) 2.418 16.833 ( -4.768 2.900 6.510) 8.574 17.380 ( 4.279 -7.477 -5.717) 10.339 17.614 ( 1.319 6.247 2.027) 6.698 ======================= Grid point 53 (21/100) ======================= q-point: (-0.43 0.00 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 172 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.917 ( -1.102 20.564 21.917) 30.074 1.417 ( -7.024 8.986 -6.678) 13.216 1.582 ( -8.765 3.525 -3.412) 10.045 1.704 ( -3.459 -3.541 -2.311) 5.462 1.809 ( -1.093 2.875 -6.288) 7.000 2.072 ( -5.485 -0.273 -2.584) 6.069 2.129 ( -1.397 6.632 0.590) 6.803 2.179 ( 0.571 -3.919 0.549) 3.999 2.304 ( -7.716 0.340 4.490) 8.934 2.366 ( 9.142 6.821 1.867) 11.558 2.478 ( 1.886 -1.567 -1.430) 2.839 2.601 ( -1.489 7.794 0.062) 7.935 2.712 ( -4.133 5.589 -0.447) 6.965 2.850 ( -1.031 2.811 -3.181) 4.368 2.927 ( -0.372 -2.804 2.991) 4.117 3.085 ( -3.471 1.416 -4.665) 5.985 3.139 ( 1.620 0.049 3.415) 3.780 3.313 ( 1.052 -3.508 -1.481) 3.951 3.473 ( 7.490 -0.210 -1.549) 7.651 3.516 ( 4.568 -1.145 -0.026) 4.710 3.549 ( 1.968 -0.087 -4.958) 5.335 3.632 ( -1.445 -2.595 1.022) 3.141 3.723 ( -0.475 2.719 4.286) 5.098 3.823 ( -4.615 1.769 4.364) 6.594 3.919 ( 1.636 0.136 -1.291) 2.089 3.962 ( 2.700 -7.659 1.479) 8.255 4.010 ( -1.476 -5.648 0.244) 5.843 4.138 ( -6.898 -0.953 3.820) 7.943 4.194 ( 3.736 3.333 -2.496) 5.594 4.346 ( -4.967 4.099 1.429) 6.597 4.383 ( -2.182 4.090 4.681) 6.588 4.449 ( -0.406 -3.152 1.186) 3.392 4.575 ( -3.028 3.535 6.048) 7.632 4.695 ( -0.365 5.464 1.528) 5.686 4.715 ( 8.394 -6.110 0.063) 10.383 4.908 ( -0.094 -1.045 -0.112) 1.055 4.959 ( 1.104 -4.571 -4.526) 6.527 5.039 ( -0.516 -1.249 4.520) 4.718 5.205 ( 3.652 2.051 -2.545) 4.901 5.280 ( -2.279 2.852 -9.227) 9.923 5.356 ( -7.471 1.413 -1.095) 7.682 5.421 ( 3.082 -0.838 -0.302) 3.208 5.515 ( 1.601 1.645 -5.987) 6.412 5.623 ( -0.361 -7.115 -0.210) 7.127 5.800 ( -0.020 -0.141 0.451) 0.473 5.859 ( 1.627 -0.271 1.839) 2.470 5.928 ( -3.457 0.815 -1.215) 3.754 5.958 ( 11.089 -4.582 -6.246) 13.527 6.103 ( 5.418 -1.539 -1.547) 5.841 6.239 ( 1.894 8.893 2.008) 9.311 6.472 ( 0.711 -5.688 1.557) 5.940 6.550 ( 1.988 -1.808 -4.576) 5.306 6.669 ( 2.234 -8.646 0.409) 8.939 6.791 ( -5.787 6.010 1.469) 8.471 6.882 ( -1.422 1.843 3.284) 4.025 7.018 ( -1.098 -5.318 4.268) 6.907 7.154 ( -4.275 -0.859 0.070) 4.361 7.281 ( -2.870 0.587 1.404) 3.249 7.363 ( 1.155 -3.382 1.485) 3.870 7.455 ( 2.214 4.017 -0.866) 4.668 7.629 ( 1.374 1.546 2.813) 3.492 7.749 ( -1.314 0.219 1.251) 1.828 7.965 ( -1.631 1.905 -1.811) 3.094 8.103 ( 0.109 -1.554 1.431) 2.115 8.197 ( -0.818 -0.591 -1.061) 1.464 8.217 ( -0.963 -0.186 0.603) 1.151 9.555 ( 0.295 0.299 -0.372) 0.561 9.590 ( 0.802 1.520 1.346) 2.183 9.607 ( 0.413 1.172 -1.535) 1.975 9.770 ( 2.191 2.868 1.466) 3.896 9.999 ( -0.415 0.733 -0.082) 0.846 10.041 ( 0.465 0.938 1.466) 1.801 10.120 ( -1.441 -3.522 -3.849) 5.412 10.184 ( 0.323 1.339 -0.641) 1.519 10.356 ( -4.136 1.966 -2.331) 5.138 10.639 ( 2.220 -0.172 -4.219) 4.770 10.826 ( -0.321 -1.525 0.789) 1.746 10.854 ( -3.438 -1.750 1.698) 4.215 10.965 ( 0.477 2.938 -1.391) 3.285 11.062 ( -0.667 -2.127 0.179) 2.237 11.160 ( -1.410 0.196 -0.482) 1.503 11.271 ( 4.339 3.138 -0.595) 5.388 11.580 ( 1.135 -1.574 -2.412) 3.095 11.677 ( 2.506 0.286 -4.939) 5.545 15.959 ( -0.187 -2.003 4.217) 4.673 16.422 ( -5.274 -0.826 -0.898) 5.414 16.547 ( 0.152 0.538 2.498) 2.559 16.926 ( 2.166 -4.272 11.667) 12.611 17.420 ( 1.578 0.084 -6.921) 7.099 17.568 ( 3.308 5.437 2.201) 6.734 ======================= Grid point 54 (22/100) ======================= q-point: (-0.29 0.00 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 172 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.762 ( -4.990 21.945 18.621) 29.210 1.023 ( -17.064 20.589 -0.212) 26.742 1.533 ( -4.864 -3.894 -2.757) 6.814 1.620 ( -17.271 10.126 0.003) 20.020 1.663 ( -8.364 1.262 0.170) 8.461 1.945 ( -3.120 8.078 1.073) 8.726 2.026 ( 2.005 0.306 -4.818) 5.228 2.187 ( -4.816 -1.722 1.179) 5.249 2.219 ( 0.089 -2.733 -3.781) 4.666 2.378 ( 7.282 6.706 1.004) 9.950 2.473 ( -0.378 5.496 -0.941) 5.589 2.626 ( 2.122 -6.825 3.853) 8.119 2.689 ( 3.451 0.096 3.343) 4.806 2.811 ( 0.765 1.181 -0.973) 1.711 2.934 ( -0.847 0.513 -3.739) 3.868 3.027 ( -0.038 0.469 -2.679) 2.720 3.181 ( -1.931 -1.022 5.030) 5.484 3.376 ( 2.401 -4.302 -1.909) 5.283 3.400 ( -6.477 3.907 -0.627) 7.590 3.560 ( 0.478 -3.033 -1.981) 3.654 3.616 ( 6.867 -0.413 2.333) 7.264 3.653 ( 4.032 2.597 0.234) 4.802 3.709 ( -3.229 1.246 1.607) 3.816 3.843 ( 2.495 -1.330 1.042) 3.013 3.920 ( -1.216 -1.305 -1.018) 2.054 3.991 ( -2.395 1.267 -1.493) 3.093 4.083 ( -3.311 -3.501 4.432) 6.547 4.097 ( -0.499 2.901 -2.391) 3.793 4.222 ( -2.103 -1.464 3.319) 4.193 4.257 ( -3.633 9.465 0.364) 10.145 4.284 ( 1.176 0.911 3.357) 3.672 4.488 ( -5.318 -4.036 4.748) 8.192 4.604 ( 2.664 -2.710 1.687) 4.158 4.660 ( 0.622 3.032 4.681) 5.612 4.827 ( 4.078 -1.211 -4.788) 6.405 4.918 ( -0.360 0.137 -3.288) 3.311 5.024 ( 4.794 -5.770 -2.789) 8.003 5.097 ( 3.039 -1.341 -1.903) 3.828 5.174 ( -0.725 -2.093 -0.125) 2.219 5.210 ( 3.753 2.465 -2.176) 4.990 5.269 ( -7.305 -0.497 1.067) 7.400 5.439 ( 0.225 1.550 -4.022) 4.316 5.465 ( -0.093 1.033 -0.745) 1.277 5.665 ( -5.886 -4.111 1.357) 7.306 5.805 ( -1.575 -1.106 1.160) 2.247 5.903 ( 1.543 -3.833 -3.912) 5.690 5.928 ( 7.134 -0.898 0.301) 7.196 6.048 ( 7.928 1.137 -5.051) 9.469 6.183 ( 5.673 0.788 0.562) 5.755 6.247 ( 7.538 -2.778 0.191) 8.036 6.494 ( -2.760 1.523 1.196) 3.372 6.593 ( 1.406 -4.825 -4.441) 6.707 6.647 ( -5.122 0.137 1.520) 5.345 6.807 ( 0.202 -0.559 -2.802) 2.864 6.925 ( 1.173 -4.799 7.475) 8.960 7.061 ( 0.369 -1.132 0.384) 1.251 7.135 ( -3.134 -1.201 1.874) 3.844 7.237 ( -3.669 2.381 2.009) 4.813 7.377 ( -0.407 2.423 -3.383) 4.181 7.455 ( 1.440 -0.680 3.601) 3.937 7.633 ( 0.567 2.466 1.584) 2.985 7.726 ( -3.432 1.208 1.494) 3.933 7.911 ( -0.086 2.295 -1.338) 2.657 8.129 ( -1.491 -1.247 1.915) 2.729 8.172 ( -0.993 1.119 -0.636) 1.626 8.214 ( -1.491 -0.677 0.313) 1.667 9.545 ( 1.089 1.097 -1.628) 2.245 9.596 ( -0.170 -0.513 -0.172) 0.567 9.605 ( 2.783 1.453 3.073) 4.393 9.763 ( 3.163 5.090 2.357) 6.439 9.969 ( -1.776 -0.174 -1.291) 2.203 10.046 ( 0.686 1.534 1.854) 2.502 10.100 ( -4.049 -2.508 -7.754) 9.100 10.167 ( 0.296 0.441 -1.933) 2.004 10.261 ( -3.940 0.777 -3.041) 5.038 10.648 ( 3.290 -0.346 -1.885) 3.808 10.839 ( -3.134 -1.078 1.515) 3.644 10.868 ( 1.250 -0.370 1.287) 1.832 10.931 ( 0.160 0.952 -1.083) 1.451 11.088 ( -1.093 -3.612 -0.346) 3.790 11.145 ( -2.624 -2.053 -0.178) 3.337 11.263 ( 3.324 3.539 -0.996) 4.957 11.582 ( 0.558 0.118 -1.888) 1.973 11.643 ( 2.277 2.503 -6.209) 7.071 16.014 ( -1.466 -2.115 4.131) 4.866 16.358 ( -5.313 -2.966 -0.797) 6.137 16.630 ( 3.763 -2.902 6.150) 7.772 17.103 ( 0.663 -4.864 10.640) 11.718 17.320 ( -1.669 6.711 -2.580) 7.381 17.576 ( 6.688 3.467 -1.854) 7.758 ======================= Grid point 55 (23/100) ======================= q-point: (-0.14 0.00 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 172 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.565 ( -15.892 11.832 17.202) 26.238 0.610 ( -13.394 19.395 15.181) 28.036 1.119 ( -29.932 24.954 31.458) 50.083 1.551 ( -4.872 -0.564 0.013) 4.905 1.664 ( 3.979 -6.318 1.113) 7.549 1.924 ( 5.093 1.563 -3.412) 6.326 2.048 ( 4.366 -4.688 -6.043) 8.807 2.182 ( -3.363 1.385 -0.523) 3.674 2.268 ( 2.018 -9.310 -5.303) 10.903 2.396 ( 3.303 1.053 4.778) 5.903 2.431 ( 0.459 0.608 2.444) 2.560 2.678 ( 4.009 8.645 -5.388) 10.947 2.687 ( 0.087 7.695 5.903) 9.699 2.763 ( -0.854 3.222 -1.084) 3.506 2.994 ( 0.625 -7.753 0.684) 7.808 3.019 ( 0.604 -4.608 -0.248) 4.654 3.178 ( -4.834 1.040 3.953) 6.330 3.333 ( -3.409 -2.439 1.409) 4.422 3.439 ( 0.981 -3.909 -0.315) 4.042 3.518 ( -3.095 5.302 -1.617) 6.348 3.649 ( 1.720 -0.936 -0.216) 1.970 3.691 ( 4.708 2.195 -0.279) 5.202 3.712 ( -0.655 -1.553 -2.371) 2.909 3.866 ( -5.287 2.230 -2.350) 6.201 3.873 ( 2.661 0.988 -0.210) 2.847 3.963 ( 3.593 1.433 3.049) 4.925 4.031 ( -4.693 1.490 2.994) 5.762 4.035 ( 0.710 5.365 -3.050) 6.212 4.202 ( -1.370 -0.463 2.566) 2.945 4.264 ( 2.136 -2.514 4.775) 5.804 4.334 ( -0.636 -0.432 6.533) 6.578 4.518 ( -5.665 -3.616 0.744) 6.761 4.630 ( -5.763 -4.876 2.714) 8.022 4.749 ( 5.446 -2.150 1.989) 6.184 4.803 ( 3.323 2.623 -9.970) 10.832 4.860 ( 1.303 -1.241 -2.882) 3.398 5.073 ( 1.018 0.911 1.183) 1.807 5.147 ( 0.855 -1.431 -2.596) 3.085 5.192 ( -1.532 4.640 1.496) 5.111 5.218 ( 0.625 -3.997 -2.856) 4.952 5.291 ( 4.695 -3.780 5.170) 7.941 5.393 ( 1.627 3.217 -0.766) 3.685 5.440 ( -0.562 0.232 1.503) 1.621 5.640 ( -9.503 -1.923 3.994) 10.486 5.811 ( 0.396 -1.250 -2.058) 2.441 5.971 ( 3.290 -2.374 -3.387) 5.285 5.994 ( 2.213 -4.334 -1.557) 5.109 6.100 ( 10.407 0.515 -4.289) 11.268 6.219 ( 3.736 0.464 -1.655) 4.112 6.386 ( 6.400 -3.955 -1.924) 7.766 6.402 ( -11.388 -1.196 -5.356) 12.641 6.570 ( -3.806 4.116 3.868) 6.811 6.681 ( 2.087 -3.827 -6.364) 7.714 6.766 ( 1.688 -0.627 -5.371) 5.665 6.970 ( -4.352 -0.319 -0.704) 4.420 7.132 ( -2.447 -0.692 2.520) 3.580 7.146 ( 0.494 -0.995 3.460) 3.634 7.193 ( -2.224 -0.432 4.673) 5.194 7.313 ( 1.945 1.421 -4.378) 4.997 7.504 ( 1.722 -0.005 1.518) 2.295 7.605 ( -3.085 0.778 1.407) 3.479 7.674 ( -3.642 1.277 0.862) 3.954 7.884 ( 2.039 3.382 -0.837) 4.037 8.124 ( -3.381 -0.351 1.033) 3.553 8.154 ( 0.271 0.698 0.037) 0.749 8.209 ( -0.833 -0.322 0.580) 1.065 9.536 ( 0.646 -0.622 -0.702) 1.139 9.608 ( -0.236 -0.918 1.220) 1.545 9.656 ( 2.032 1.009 1.990) 3.018 9.771 ( 6.037 6.071 1.519) 8.696 9.925 ( -3.591 -0.404 -2.610) 4.458 9.982 ( -0.611 0.406 -0.467) 0.870 10.096 ( 7.624 -0.905 8.564) 11.501 10.157 ( 0.988 -0.032 -1.202) 1.556 10.235 ( 0.671 -0.212 1.966) 2.088 10.679 ( 3.150 0.180 -0.425) 3.183 10.824 ( -2.374 0.317 1.412) 2.780 10.881 ( -0.298 0.230 0.593) 0.702 10.927 ( 0.911 0.512 -0.254) 1.075 11.129 ( -0.297 -4.475 -0.651) 4.532 11.162 ( -6.202 -7.580 0.748) 9.822 11.239 ( 1.955 3.112 -1.082) 3.831 11.540 ( 1.231 8.688 -8.332) 12.101 11.561 ( 1.422 2.104 -1.956) 3.205 16.052 ( -5.133 -6.097 2.885) 8.476 16.386 ( 0.502 -3.225 1.227) 3.486 16.724 ( -8.286 -6.371 -8.285) 13.337 17.130 ( 0.443 4.946 -4.231) 6.524 17.273 ( -8.009 -2.618 8.691) 12.105 17.559 ( 6.097 6.966 -6.727) 11.443 ======================= Grid point 57 (24/100) ======================= q-point: ( 0.14 0.14 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.225 ( 18.003 0.000 19.651) 26.651 1.408 ( 13.273 0.000 26.999) 30.086 1.606 ( 6.578 0.000 27.002) 27.791 1.739 ( -4.847 -0.000 -5.215) 7.120 1.803 ( 12.386 0.000 0.591) 12.400 1.887 ( -10.753 -0.000 1.258) 10.826 2.135 ( 11.739 0.000 4.340) 12.516 2.185 ( -0.375 -0.000 -11.100) 11.107 2.237 ( 3.733 0.000 -3.469) 5.096 2.463 ( 2.731 0.000 1.631) 3.181 2.504 ( -3.588 -0.000 3.513) 5.021 2.624 ( 6.177 0.000 2.722) 6.750 2.740 ( 2.999 0.000 -3.623) 4.703 2.801 ( -7.295 -0.000 5.961) 9.421 2.830 ( -6.585 -0.000 8.854) 11.035 3.023 ( -1.910 -0.000 -2.673) 3.285 3.190 ( 6.516 0.000 -5.305) 8.402 3.339 ( -4.750 -0.000 -5.571) 7.321 3.352 ( -5.047 -0.000 5.412) 7.400 3.486 ( -4.595 -0.000 -0.933) 4.688 3.510 ( 1.300 0.000 -0.673) 1.464 3.643 ( 1.343 0.000 -4.320) 4.524 3.811 ( 10.266 0.000 3.467) 10.836 3.833 ( 5.289 0.000 -4.220) 6.766 3.949 ( 1.287 0.000 -3.288) 3.531 3.973 ( 3.196 0.000 -4.962) 5.902 4.068 ( 6.511 0.000 -1.849) 6.768 4.098 ( -4.607 -0.000 -1.071) 4.730 4.193 ( -5.804 -0.000 3.857) 6.969 4.265 ( -2.289 -0.000 5.005) 5.504 4.356 ( 1.235 0.000 1.069) 1.633 4.448 ( -1.630 -0.000 5.079) 5.334 4.612 ( -2.967 -0.000 3.115) 4.302 4.809 ( -2.195 -0.000 3.786) 4.377 4.914 ( -2.998 -0.000 -5.583) 6.337 4.918 ( -0.332 -0.000 -4.030) 4.044 4.933 ( -5.060 -0.000 -1.396) 5.249 5.017 ( -4.009 -0.000 2.685) 4.825 5.208 ( -3.408 -0.000 4.070) 5.308 5.324 ( 0.455 0.000 3.339) 3.370 5.334 ( 12.719 0.000 -6.102) 14.107 5.522 ( -5.670 -0.000 6.823) 8.871 5.651 ( -1.260 -0.000 -2.798) 3.068 5.686 ( 6.328 0.000 1.339) 6.469 5.741 ( -0.650 -0.000 2.526) 2.608 5.886 ( -2.844 -0.000 -9.157) 9.588 5.902 ( -4.409 -0.000 1.159) 4.559 5.931 ( -1.597 -0.000 2.945) 3.350 6.054 ( -1.421 -0.000 -4.414) 4.637 6.224 ( 1.109 0.000 -4.864) 4.989 6.294 ( 0.672 0.000 -12.691) 12.708 6.444 ( 1.421 0.000 5.266) 5.454 6.612 ( -4.733 -0.000 -0.551) 4.765 6.770 ( 4.329 0.000 -7.231) 8.428 6.925 ( -0.457 -0.000 4.768) 4.789 7.107 ( -1.094 -0.000 0.327) 1.142 7.115 ( 1.840 0.000 -0.950) 2.071 7.154 ( -0.343 -0.000 0.645) 0.730 7.391 ( -3.675 -0.000 -5.670) 6.757 7.493 ( -2.758 -0.000 3.679) 4.598 7.542 ( 3.755 0.000 3.564) 5.178 7.723 ( 2.767 0.000 1.061) 2.963 7.986 ( 3.451 0.000 2.443) 4.229 8.091 ( 1.176 0.000 -1.442) 1.861 8.116 ( 0.123 0.000 -1.017) 1.025 8.193 ( -0.424 -0.000 -0.811) 0.915 9.567 ( -2.480 -0.000 -0.145) 2.485 9.592 ( -0.178 -0.000 1.713) 1.722 9.660 ( 1.914 0.000 2.278) 2.975 9.741 ( 3.143 0.000 2.795) 4.206 9.959 ( -0.996 -0.000 -0.073) 0.999 10.004 ( -0.200 -0.000 0.880) 0.903 10.160 ( 0.086 0.000 -1.375) 1.378 10.218 ( 1.975 0.000 -1.935) 2.765 10.644 ( -2.079 -0.000 -1.137) 2.369 10.755 ( -2.353 -0.000 -0.249) 2.366 10.831 ( -10.427 -0.000 0.547) 10.441 10.903 ( 0.948 0.000 1.028) 1.398 10.947 ( -5.954 -0.000 3.002) 6.668 11.121 ( -0.455 -0.000 -0.999) 1.097 11.176 ( -2.436 -0.000 0.300) 2.454 11.378 ( 0.736 0.000 0.138) 0.749 11.449 ( 17.614 0.000 -11.686) 21.139 11.573 ( 4.006 0.000 -3.159) 5.102 15.714 ( -4.207 -0.000 9.076) 10.004 16.255 ( 6.869 0.000 1.242) 6.980 16.588 ( 2.539 0.000 4.011) 4.747 17.045 ( -10.385 -0.000 0.416) 10.393 17.082 ( 4.035 0.000 -2.216) 4.604 17.658 ( 4.059 0.000 3.239) 5.193 ======================= Grid point 58 (25/100) ======================= q-point: ( 0.29 0.14 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 172 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.508 ( 7.496 20.293 27.002) 34.600 1.557 ( 9.605 -2.069 14.710) 17.690 1.585 ( -2.524 3.141 -6.072) 7.288 1.789 ( -3.460 3.782 -0.857) 5.197 1.954 ( 3.511 -4.351 -1.183) 5.715 1.979 ( 4.694 -5.844 5.042) 9.034 2.126 ( 0.028 0.363 -3.232) 3.253 2.204 ( 3.753 -6.216 -3.636) 8.121 2.317 ( 4.630 0.437 2.904) 5.483 2.431 ( 1.188 4.006 -0.532) 4.213 2.591 ( 0.335 -5.812 0.240) 5.827 2.655 ( -1.216 8.733 8.846) 12.490 2.694 ( 2.081 -2.171 1.776) 3.493 2.813 ( 2.868 3.833 4.083) 6.292 2.911 ( -2.798 -7.392 4.919) 9.309 3.034 ( 0.162 -5.366 -0.673) 5.411 3.217 ( -1.220 0.100 -4.974) 5.122 3.260 ( 3.478 -5.704 -4.963) 8.323 3.336 ( 0.629 3.782 2.894) 4.804 3.454 ( -1.902 0.096 -0.057) 1.906 3.528 ( 1.099 1.755 5.074) 5.480 3.587 ( 2.505 2.869 -7.303) 8.237 3.825 ( 1.556 1.950 -5.666) 6.191 3.866 ( -2.252 3.196 -0.545) 3.947 3.934 ( 7.282 1.353 -4.628) 8.734 3.958 ( -1.973 -4.674 -2.596) 5.699 4.067 ( -1.188 0.381 -1.256) 1.770 4.106 ( -0.051 2.679 2.504) 3.667 4.246 ( 4.108 -0.485 6.206) 7.458 4.297 ( -0.641 0.963 4.410) 4.560 4.349 ( 2.610 0.153 3.650) 4.490 4.492 ( -2.656 -0.484 2.246) 3.511 4.603 ( 0.341 0.658 2.743) 2.842 4.732 ( -10.848 2.852 2.235) 11.437 4.776 ( -4.835 4.142 -1.517) 6.545 4.841 ( -4.287 1.518 -1.303) 4.731 4.915 ( 0.302 -2.116 -2.389) 3.206 5.059 ( -0.422 -5.616 -0.493) 5.654 5.247 ( 1.287 -0.220 4.382) 4.572 5.371 ( 0.282 -2.741 -0.198) 2.763 5.407 ( 6.443 0.728 -3.229) 7.244 5.510 ( -3.751 5.444 0.589) 6.637 5.567 ( 2.209 0.279 -3.623) 4.253 5.677 ( 0.406 2.626 -1.613) 3.109 5.727 ( 0.342 3.535 -2.284) 4.223 5.819 ( -2.007 2.454 -2.159) 3.836 5.860 ( -3.788 -5.518 -0.209) 6.696 5.939 ( -1.512 1.913 -0.835) 2.577 6.072 ( -0.260 -8.622 -1.922) 8.837 6.130 ( 0.981 3.945 -4.606) 6.144 6.306 ( 1.227 -8.580 -8.034) 11.818 6.546 ( -2.684 2.370 -1.147) 3.760 6.578 ( 1.899 -7.626 8.057) 11.255 6.728 ( 3.212 5.517 -3.767) 7.413 6.931 ( -3.407 1.621 5.546) 6.707 7.081 ( -2.736 1.953 0.221) 3.369 7.156 ( 2.884 -3.050 -1.565) 4.480 7.180 ( 0.663 -1.287 0.694) 1.605 7.294 ( -4.424 -0.384 -4.985) 6.676 7.525 ( 2.619 -0.628 3.344) 4.293 7.594 ( 1.275 1.075 3.307) 3.704 7.749 ( 0.867 -0.083 0.093) 0.876 8.031 ( 2.183 0.824 1.228) 2.637 8.084 ( 2.045 1.331 -1.331) 2.780 8.129 ( 0.890 -2.092 -1.555) 2.754 8.191 ( -0.655 -1.338 -0.220) 1.506 9.547 ( -1.320 -0.346 -0.339) 1.406 9.601 ( 0.092 0.157 1.082) 1.097 9.695 ( 2.712 1.987 2.528) 4.206 9.801 ( 3.074 0.363 3.014) 4.321 9.957 ( -0.486 -1.362 0.085) 1.448 10.009 ( 0.400 -0.016 0.714) 0.819 10.132 ( -2.046 0.451 -2.074) 2.948 10.224 ( 1.434 -0.248 -2.075) 2.534 10.598 ( -3.718 4.819 1.670) 6.312 10.665 ( -4.155 2.038 -2.653) 5.334 10.766 ( -5.859 -3.272 -0.686) 6.746 10.860 ( -1.669 3.036 1.375) 3.727 10.981 ( -1.298 -3.915 1.876) 4.531 11.089 ( -0.145 2.188 -0.447) 2.238 11.171 ( -3.910 -2.724 0.135) 4.768 11.349 ( 2.609 4.644 0.484) 5.348 11.518 ( 7.724 -0.551 -6.875) 10.355 11.615 ( 4.216 -3.069 -4.962) 7.198 15.802 ( 1.112 -3.754 6.733) 7.789 16.352 ( 6.661 -1.291 1.079) 6.870 16.612 ( 2.099 3.314 2.112) 4.455 16.916 ( -10.212 2.327 1.684) 10.608 17.168 ( 5.648 -6.913 -3.194) 9.482 17.714 ( 2.702 1.727 3.469) 4.724 ======================= Grid point 59 (26/100) ======================= q-point: (-0.57 0.14 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 172 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.477 ( -0.296 1.728 -5.961) 6.213 1.515 ( 6.946 20.707 20.377) 29.871 1.658 ( -5.808 1.580 0.248) 6.024 1.793 ( 3.595 -4.462 5.342) 7.834 1.866 ( -7.889 9.560 -6.877) 14.174 2.056 ( -1.606 0.664 0.053) 1.738 2.127 ( 2.484 -3.128 1.709) 4.345 2.195 ( -2.711 2.820 -4.115) 5.677 2.343 ( -2.585 7.693 -3.129) 8.698 2.388 ( 4.708 -2.071 3.241) 6.079 2.631 ( 8.056 4.986 4.173) 10.352 2.697 ( 0.558 -1.593 1.773) 2.448 2.733 ( -1.738 -0.313 0.604) 1.866 2.835 ( -3.471 -1.766 5.884) 7.056 3.005 ( 2.719 -1.266 -0.998) 3.161 3.085 ( 1.081 -2.131 -1.491) 2.817 3.204 ( 3.148 2.425 0.158) 3.977 3.284 ( -1.445 0.491 -1.444) 2.101 3.366 ( 3.512 -2.461 -3.530) 5.555 3.482 ( 4.450 -3.810 0.538) 5.883 3.561 ( -0.394 1.592 0.415) 1.692 3.573 ( 5.666 -1.857 0.584) 5.991 3.717 ( -4.026 0.560 -0.205) 4.070 3.855 ( 2.189 -1.347 -2.345) 3.479 3.912 ( -1.658 7.281 -0.361) 7.476 3.943 ( -5.864 0.108 1.651) 6.093 3.994 ( -1.268 2.796 -2.435) 3.919 4.126 ( 4.995 -1.606 0.810) 5.309 4.281 ( 0.100 4.418 6.274) 7.674 4.378 ( 4.778 0.331 1.351) 4.976 4.394 ( -3.594 0.964 -1.897) 4.177 4.440 ( -1.714 -1.950 6.118) 6.646 4.616 ( 0.626 0.971 1.264) 1.712 4.665 ( -5.562 2.066 4.738) 7.593 4.720 ( 3.649 -4.238 -4.725) 7.322 4.809 ( -3.183 -1.869 4.247) 5.627 4.943 ( 3.054 0.109 -0.104) 3.057 5.099 ( -1.199 -2.190 -2.177) 3.313 5.253 ( -1.814 4.220 1.992) 5.007 5.345 ( -2.115 2.839 -4.927) 6.067 5.389 ( -1.016 1.054 -1.420) 2.040 5.450 ( 0.672 -1.900 -0.778) 2.160 5.513 ( 0.822 4.197 -3.188) 5.334 5.593 ( -2.066 5.858 -6.709) 9.143 5.769 ( 3.975 -5.694 -1.995) 7.225 5.807 ( 5.078 -1.201 -1.132) 5.340 5.838 ( -2.662 -1.150 -1.548) 3.287 5.930 ( -2.971 -3.186 0.201) 4.361 6.073 ( 0.403 -0.557 -3.854) 3.915 6.208 ( 1.140 -8.789 0.864) 8.905 6.400 ( 1.480 -10.872 -3.474) 11.509 6.471 ( -0.720 5.387 -0.132) 5.437 6.642 ( 1.603 6.804 -1.745) 7.205 6.779 ( 0.910 -9.431 6.487) 11.483 6.918 ( -1.305 1.826 3.757) 4.377 6.993 ( -3.974 5.487 0.391) 6.786 7.138 ( -4.414 0.407 -1.309) 4.622 7.225 ( -0.346 -4.493 0.457) 4.529 7.289 ( 0.354 -2.819 0.139) 2.845 7.574 ( 3.262 4.271 0.872) 5.444 7.619 ( 1.892 -1.289 2.611) 3.473 7.752 ( -0.959 -0.754 0.503) 1.320 8.027 ( 0.934 2.673 -0.210) 2.839 8.088 ( 2.066 0.492 -0.443) 2.170 8.156 ( 0.408 -2.046 -0.995) 2.311 8.203 ( -0.736 -1.335 0.218) 1.540 9.541 ( -0.556 -0.684 -0.252) 0.917 9.606 ( 0.330 0.314 0.364) 0.583 9.700 ( 2.930 4.180 0.932) 5.189 9.838 ( 2.762 2.271 2.966) 4.646 9.986 ( 0.068 -2.212 0.829) 2.363 10.030 ( 1.135 -1.031 -0.254) 1.554 10.076 ( -3.702 0.152 -1.586) 4.030 10.217 ( 0.770 0.502 -2.522) 2.685 10.459 ( -7.889 5.802 1.156) 9.861 10.628 ( 1.016 -0.258 -3.221) 3.388 10.756 ( -1.756 -3.515 -1.651) 4.262 10.826 ( -2.712 0.496 1.297) 3.046 11.019 ( -0.897 -1.722 1.219) 2.293 11.053 ( -0.258 2.800 -0.259) 2.823 11.157 ( -4.188 -1.986 0.138) 4.637 11.335 ( 2.209 2.615 0.924) 3.546 11.544 ( 4.740 -0.435 -4.795) 6.757 11.650 ( 3.170 -2.304 -4.994) 6.348 15.914 ( 3.122 -1.923 5.932) 6.974 16.432 ( 4.015 0.546 0.430) 4.075 16.569 ( -2.934 2.624 -1.703) 4.288 16.851 ( -4.428 -1.188 7.276) 8.600 17.298 ( 6.761 -7.218 -5.888) 11.510 17.720 ( 0.647 4.604 3.717) 5.952 ======================= Grid point 60 (27/100) ======================= q-point: (-0.43 0.14 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 172 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.393 ( -2.177 7.568 -3.847) 8.764 1.424 ( 2.664 17.785 9.262) 20.229 1.538 ( -11.484 11.729 -2.959) 16.679 1.649 ( 1.602 0.413 3.288) 3.681 1.838 ( -0.214 5.167 -2.385) 5.694 1.991 ( -7.010 1.779 1.468) 7.379 2.063 ( -1.456 -0.214 -9.299) 9.415 2.212 ( 0.351 1.852 0.626) 1.986 2.243 ( -0.420 -1.405 5.036) 5.246 2.471 ( 1.015 1.325 1.049) 1.972 2.604 ( -2.133 9.314 0.942) 9.601 2.668 ( -2.385 0.844 1.140) 2.775 2.779 ( -0.886 -3.029 -3.316) 4.577 2.809 ( 4.673 10.857 5.698) 13.122 2.969 ( 1.805 2.135 -3.186) 4.239 3.098 ( 1.656 2.669 2.461) 3.990 3.162 ( -3.160 1.295 0.721) 3.490 3.274 ( 0.129 -2.284 -1.199) 2.583 3.465 ( 4.754 -4.026 -5.438) 8.269 3.481 ( -1.033 -0.726 -0.492) 1.355 3.591 ( 1.086 -1.253 0.011) 1.658 3.645 ( 6.319 1.234 0.972) 6.511 3.767 ( -7.258 3.400 2.127) 8.292 3.790 ( 1.091 -6.448 2.466) 6.989 3.877 ( -3.160 -1.913 -0.284) 3.705 3.931 ( 0.773 -0.443 1.775) 1.987 3.973 ( 2.361 -2.739 0.256) 3.626 4.197 ( 4.729 3.388 2.324) 6.264 4.260 ( 3.891 4.206 -0.231) 5.735 4.317 ( -5.041 0.197 1.427) 5.243 4.408 ( -2.047 0.366 1.594) 2.621 4.471 ( 1.051 2.809 0.214) 3.007 4.642 ( -4.061 2.315 7.105) 8.505 4.680 ( 1.223 -7.955 1.163) 8.132 4.789 ( 4.943 2.085 2.044) 5.741 4.850 ( 0.635 -4.611 -3.771) 5.991 4.966 ( 4.989 3.529 1.073) 6.205 5.058 ( -2.269 0.910 1.476) 2.856 5.191 ( -3.256 1.493 -1.692) 3.961 5.257 ( -9.010 0.957 -1.499) 9.184 5.279 ( 2.335 4.216 -6.988) 8.489 5.445 ( 0.740 1.274 -0.657) 1.613 5.509 ( 2.162 -1.620 -3.877) 4.726 5.537 ( 1.232 -3.028 -1.371) 3.545 5.781 ( -1.143 -1.208 -1.793) 2.445 5.826 ( -2.908 -1.121 -4.380) 5.376 5.890 ( 2.445 -2.434 1.148) 3.636 5.984 ( 7.365 -4.439 -3.459) 9.269 6.103 ( 2.465 -4.286 0.628) 4.984 6.323 ( 1.435 -7.482 -4.604) 8.901 6.398 ( 0.104 4.168 1.386) 4.394 6.536 ( -1.956 -1.311 -0.562) 2.421 6.570 ( 1.619 -4.672 -1.239) 5.097 6.845 ( -1.888 4.823 1.135) 5.302 6.923 ( -1.376 1.732 4.640) 5.140 6.968 ( 1.102 -5.360 2.326) 5.946 7.096 ( -4.310 -1.161 2.279) 5.011 7.260 ( -2.865 -2.215 1.051) 3.771 7.338 ( 1.337 -2.803 0.965) 3.252 7.526 ( 0.136 5.786 0.612) 5.820 7.659 ( 0.723 -0.927 -1.475) 1.886 7.766 ( -0.266 0.201 2.704) 2.724 7.994 ( 1.755 3.992 -0.173) 4.364 8.101 ( -0.100 -0.402 0.661) 0.780 8.171 ( -0.047 -1.281 -0.848) 1.537 8.206 ( -0.907 -0.179 0.196) 0.945 9.547 ( -0.169 -0.826 0.054) 0.845 9.603 ( 0.280 0.708 -0.569) 0.951 9.682 ( 3.922 4.306 0.457) 5.842 9.861 ( 3.587 2.765 2.829) 5.340 9.975 ( -3.804 0.486 -1.884) 4.273 10.035 ( -0.965 -2.370 -2.491) 3.571 10.075 ( 0.183 -0.139 3.181) 3.189 10.188 ( 0.211 0.879 -3.745) 3.853 10.315 ( -6.664 3.653 -0.650) 7.627 10.630 ( 2.329 -0.267 -1.358) 2.710 10.791 ( -0.988 -3.901 -1.433) 4.271 10.809 ( -0.808 -1.295 1.099) 1.880 11.004 ( -0.358 3.541 -0.050) 3.559 11.031 ( -1.341 -0.959 0.349) 1.685 11.136 ( -3.425 -0.996 0.173) 3.571 11.333 ( 1.579 1.920 0.061) 2.486 11.560 ( 2.676 -0.686 -2.983) 4.066 11.665 ( 2.903 -0.847 -4.762) 5.641 16.018 ( 5.486 0.085 5.244) 7.590 16.355 ( -7.080 4.260 -2.847) 8.740 16.564 ( 1.419 -2.105 1.955) 3.205 16.941 ( -1.782 -6.211 8.270) 10.495 17.389 ( 7.018 -3.048 -8.245) 11.248 17.677 ( -1.023 5.475 3.634) 6.650 ======================= Grid point 61 (28/100) ======================= q-point: (-0.29 0.14 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 172 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.103 ( -7.151 22.202 2.258) 23.434 1.199 ( -7.741 21.157 2.767) 22.698 1.427 ( 0.959 -3.826 -2.996) 4.954 1.674 ( 0.745 5.709 -1.246) 5.891 1.692 ( -3.118 10.929 11.815) 16.394 1.964 ( 2.101 1.162 -3.339) 4.112 1.990 ( -1.981 -2.540 -4.359) 5.420 2.138 ( -7.216 5.580 1.184) 9.198 2.225 ( -2.296 5.898 2.590) 6.839 2.506 ( -1.262 -5.224 6.222) 8.221 2.511 ( 4.504 -1.151 3.428) 5.776 2.621 ( -0.392 11.234 -1.984) 11.414 2.723 ( 0.572 -3.570 0.959) 3.741 2.832 ( 2.456 2.780 -0.473) 3.740 2.988 ( 8.361 2.897 -4.587) 9.967 3.089 ( 0.662 6.032 5.907) 8.469 3.139 ( -5.615 -3.636 1.080) 6.776 3.301 ( -2.525 -3.177 -0.908) 4.159 3.389 ( -2.093 3.607 -2.608) 4.919 3.497 ( -2.253 -2.022 -0.201) 3.034 3.659 ( 0.789 -3.705 -2.393) 4.481 3.680 ( 1.032 1.014 -1.944) 2.423 3.712 ( 2.265 -1.002 -1.957) 3.157 3.855 ( -1.791 -2.764 1.380) 3.571 3.902 ( 1.600 0.063 3.316) 3.682 3.963 ( -1.627 -2.974 1.745) 3.813 4.076 ( 3.362 -4.059 0.366) 5.283 4.171 ( 1.350 7.039 2.958) 7.753 4.239 ( 2.956 4.100 0.506) 5.079 4.322 ( 0.026 4.376 -1.384) 4.590 4.337 ( -0.787 0.375 3.967) 4.062 4.443 ( -4.748 1.614 2.255) 5.499 4.599 ( -6.678 2.011 3.827) 7.955 4.737 ( -0.647 0.880 3.649) 3.809 4.828 ( 4.200 1.432 -3.590) 5.708 4.885 ( -0.686 -5.132 -5.291) 7.403 4.970 ( 4.166 1.113 -1.743) 4.652 5.086 ( -0.589 -2.527 -1.198) 2.858 5.130 ( -0.530 -4.891 4.350) 6.567 5.187 ( -4.363 -1.725 0.673) 4.740 5.287 ( 7.984 1.890 -2.516) 8.581 5.428 ( 0.008 0.560 -1.530) 1.629 5.498 ( 0.124 2.609 0.778) 2.726 5.578 ( -2.795 -2.077 -0.094) 3.484 5.771 ( -3.278 -0.960 1.189) 3.617 5.790 ( 1.344 -6.178 -8.543) 10.628 5.967 ( 5.163 -2.490 -1.109) 5.838 6.088 ( 7.506 -3.566 -6.638) 10.635 6.225 ( 4.073 -6.261 1.536) 7.625 6.292 ( 0.391 3.842 -2.345) 4.518 6.413 ( -5.512 2.924 -2.198) 6.616 6.484 ( 1.437 -7.273 -1.030) 7.485 6.667 ( 0.681 -3.558 -2.290) 4.286 6.789 ( -1.465 3.522 1.349) 4.046 6.925 ( -3.621 -0.978 4.877) 6.153 7.051 ( 3.652 -3.352 -0.330) 4.968 7.112 ( -2.008 -1.447 4.781) 5.383 7.242 ( -3.575 0.576 1.445) 3.899 7.387 ( 0.941 0.480 -0.787) 1.317 7.457 ( -2.375 1.670 1.525) 3.280 7.651 ( 0.047 0.086 -1.873) 1.876 7.754 ( -1.488 3.358 1.796) 4.089 7.967 ( 2.542 4.016 0.454) 4.774 8.101 ( -2.495 -0.915 0.795) 2.773 8.179 ( 0.782 0.028 -0.379) 0.869 8.196 ( -0.847 0.005 0.165) 0.863 9.552 ( 0.149 0.359 -0.629) 0.739 9.590 ( 0.273 0.125 -0.533) 0.611 9.691 ( 3.278 2.196 1.131) 4.105 9.885 ( 1.425 2.484 -0.904) 3.003 9.920 ( -0.890 0.441 0.538) 1.129 9.995 ( -2.861 0.443 -2.502) 3.826 10.102 ( 0.450 0.380 4.355) 4.394 10.153 ( 0.925 -0.041 -3.285) 3.413 10.242 ( -0.993 1.290 1.913) 2.512 10.664 ( 2.953 -0.693 0.315) 3.049 10.785 ( -3.981 -2.415 0.740) 4.715 10.874 ( 3.586 -2.847 -0.512) 4.607 10.956 ( -0.061 3.111 0.035) 3.112 11.033 ( -1.318 -1.575 0.136) 2.058 11.111 ( -2.865 -0.559 -0.165) 2.924 11.314 ( 0.931 2.277 -1.456) 2.858 11.569 ( 0.922 -0.111 -1.580) 1.833 11.658 ( 3.447 1.310 -5.006) 6.218 16.086 ( 4.224 5.885 2.504) 7.664 16.245 ( -6.160 -4.312 1.192) 7.613 16.619 ( -0.712 -2.866 -0.310) 2.969 17.060 ( -4.788 -7.571 5.675) 10.605 17.376 ( 3.880 5.332 -6.433) 9.212 17.638 ( 0.305 1.733 -0.469) 1.821 ======================= Grid point 62 (29/100) ======================= q-point: (-0.14 0.14 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 172 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.693 ( -16.337 19.557 7.519) 26.569 0.932 ( -0.682 19.748 16.393) 25.675 1.500 ( 3.548 -0.182 3.404) 4.920 1.582 ( -1.403 15.329 21.369) 26.336 1.684 ( 6.574 0.245 1.871) 6.839 1.950 ( 3.517 0.080 -1.103) 3.687 1.975 ( 0.997 -1.629 -3.082) 3.625 2.156 ( 3.153 -5.761 -0.625) 6.597 2.171 ( -2.617 2.511 1.198) 3.820 2.495 ( 0.766 5.215 -0.673) 5.314 2.500 ( 0.907 3.598 4.909) 6.154 2.737 ( -0.095 -2.523 3.566) 4.369 2.742 ( -2.434 0.444 -0.207) 2.483 2.821 ( -0.044 -4.787 3.928) 6.192 2.929 ( 5.987 7.182 -8.120) 12.384 3.064 ( -1.257 4.289 4.418) 6.284 3.141 ( -1.911 -0.823 1.913) 2.827 3.279 ( -4.095 -2.841 1.654) 5.252 3.371 ( 0.363 -2.891 -2.213) 3.659 3.504 ( -1.829 -2.490 -2.534) 3.996 3.610 ( -1.843 1.878 -2.243) 3.458 3.654 ( 0.482 -1.268 -5.920) 6.073 3.731 ( -1.312 -0.258 -4.951) 5.129 3.867 ( -1.171 4.207 1.346) 4.569 3.915 ( 2.257 -0.804 0.743) 2.509 4.003 ( -0.112 -1.501 4.087) 4.355 4.085 ( 0.460 5.295 0.217) 5.320 4.147 ( 7.793 4.612 -0.729) 9.085 4.210 ( -2.039 2.750 -0.325) 3.439 4.298 ( 1.903 0.075 1.644) 2.516 4.378 ( -7.302 -0.297 8.597) 11.283 4.424 ( -1.639 -3.994 6.150) 7.515 4.520 ( -9.678 -1.856 2.376) 10.136 4.755 ( -2.142 0.245 -0.125) 2.159 4.824 ( 2.172 -0.764 -3.395) 4.102 4.851 ( 8.682 0.410 -3.938) 9.542 5.044 ( 0.384 -5.548 -4.154) 6.941 5.130 ( -0.243 -2.404 0.122) 2.420 5.173 ( 1.714 1.761 2.196) 3.296 5.264 ( -1.607 -5.715 6.594) 8.873 5.324 ( 7.589 1.774 -3.345) 8.481 5.422 ( -4.190 0.915 2.468) 4.948 5.461 ( 4.239 0.882 1.705) 4.653 5.574 ( -2.439 -1.325 1.898) 3.362 5.761 ( -2.413 -2.544 -1.538) 3.829 5.854 ( 4.425 -7.189 -8.199) 11.769 6.005 ( 0.833 1.039 -2.726) 3.034 6.115 ( -2.796 -2.840 -4.522) 6.027 6.230 ( 0.020 0.890 -5.141) 5.218 6.272 ( -3.138 5.747 -1.098) 6.640 6.377 ( 6.884 -5.213 -2.031) 8.871 6.592 ( 0.890 -6.675 -2.409) 7.152 6.648 ( -4.546 8.291 4.362) 10.413 6.708 ( 0.492 -2.047 -8.433) 8.691 6.922 ( -3.059 -0.384 0.807) 3.187 7.108 ( -2.141 -1.214 2.299) 3.368 7.186 ( 1.793 -1.913 4.674) 5.359 7.198 ( -3.284 2.465 2.125) 4.623 7.331 ( 2.543 2.116 -3.130) 4.554 7.471 ( -3.031 -3.095 1.437) 4.564 7.633 ( 1.273 2.916 -1.084) 3.361 7.685 ( -2.704 3.647 1.172) 4.689 7.946 ( 1.719 3.268 0.265) 3.702 8.087 ( -2.511 -0.806 0.389) 2.666 8.168 ( -0.032 1.520 -0.407) 1.574 8.203 ( 0.379 -0.525 0.167) 0.668 9.538 ( 0.669 0.428 -0.455) 0.915 9.605 ( 0.040 -1.053 1.348) 1.711 9.678 ( -2.673 1.304 -0.094) 2.976 9.773 ( -3.233 4.846 -2.636) 6.394 9.947 ( 1.086 -0.932 0.548) 1.532 9.998 ( 1.271 -0.002 -0.024) 1.271 10.143 ( 1.536 -0.520 -1.616) 2.289 10.193 ( 2.488 -1.328 1.678) 3.281 10.353 ( 12.292 -8.737 12.940) 19.872 10.697 ( 0.509 -0.166 0.875) 1.026 10.791 ( -0.931 -2.074 0.326) 2.297 10.921 ( 2.710 0.592 0.532) 2.824 10.938 ( 1.133 0.583 -0.125) 1.280 11.046 ( -1.210 -1.704 0.449) 2.138 11.097 ( -1.428 -2.211 -0.545) 2.688 11.277 ( 0.572 2.196 -2.225) 3.178 11.545 ( 0.066 2.420 -2.704) 3.630 11.630 ( 4.576 3.393 -5.050) 7.613 16.015 ( -5.044 4.409 2.237) 7.063 16.340 ( 1.617 -7.125 3.789) 8.230 16.525 ( -10.942 6.131 -8.891) 15.375 17.109 ( -6.254 -5.402 2.123) 8.532 17.262 ( -0.118 8.458 -2.861) 8.930 17.609 ( 1.543 2.103 -3.383) 4.272 ======================= Grid point 65 (30/100) ======================= q-point: ( 0.29 0.29 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.483 ( -4.520 -0.000 -5.087) 6.805 1.687 ( -5.299 -0.000 13.898) 14.874 1.742 ( -2.254 -0.000 -5.896) 6.312 1.874 ( -5.446 -0.000 -1.645) 5.689 1.966 ( -0.226 -0.000 13.607) 13.609 2.046 ( 7.961 0.000 2.499) 8.344 2.081 ( 3.275 0.000 1.939) 3.806 2.247 ( 13.463 0.000 -0.396) 13.469 2.429 ( -0.334 -0.000 -2.535) 2.557 2.497 ( 10.066 0.000 3.383) 10.619 2.515 ( 0.851 0.000 -5.311) 5.378 2.731 ( 1.397 0.000 2.187) 2.595 2.761 ( -9.138 -0.000 9.299) 13.037 2.829 ( -2.817 -0.000 5.475) 6.157 2.967 ( 4.581 0.000 6.752) 8.159 3.005 ( 4.441 0.000 -0.660) 4.490 3.184 ( 4.677 0.000 -3.349) 5.752 3.193 ( 4.670 0.000 -6.787) 8.238 3.403 ( 0.520 0.000 0.874) 1.017 3.419 ( -0.484 -0.000 -1.768) 1.833 3.570 ( 3.756 0.000 -10.455) 11.109 3.630 ( 0.971 0.000 10.833) 10.876 3.747 ( -2.329 -0.000 -9.001) 9.297 3.837 ( -6.638 -0.000 3.097) 7.325 3.882 ( -3.028 -0.000 0.082) 3.029 3.984 ( 7.489 0.000 -4.613) 8.796 4.123 ( 0.256 0.000 -0.476) 0.541 4.132 ( 1.293 0.000 3.165) 3.419 4.333 ( 8.498 0.000 -1.290) 8.595 4.371 ( -2.491 -0.000 0.433) 2.529 4.440 ( 2.960 0.000 5.777) 6.491 4.453 ( -0.683 -0.000 8.070) 8.099 4.602 ( -2.401 -0.000 1.882) 3.050 4.660 ( -5.332 -0.000 -0.146) 5.334 4.739 ( -7.990 -0.000 0.792) 8.029 4.800 ( -3.724 -0.000 1.033) 3.865 4.882 ( 3.218 0.000 -5.290) 6.192 4.997 ( -2.173 -0.000 1.829) 2.841 5.326 ( -0.783 -0.000 -4.295) 4.366 5.328 ( 1.989 0.000 6.464) 6.763 5.448 ( 4.898 0.000 -3.479) 6.008 5.478 ( -4.623 -0.000 -4.633) 6.545 5.594 ( 5.880 0.000 -1.945) 6.193 5.682 ( -3.977 -0.000 -3.597) 5.362 5.741 ( -4.031 -0.000 -4.418) 5.981 5.764 ( 0.176 0.000 4.170) 4.174 5.791 ( 0.093 0.000 -0.406) 0.416 5.939 ( -0.592 -0.000 -5.815) 5.845 5.965 ( -0.575 -0.000 -5.283) 5.314 6.156 ( 0.120 0.000 -2.564) 2.567 6.193 ( -0.463 -0.000 1.490) 1.560 6.533 ( -0.111 -0.000 -1.583) 1.587 6.619 ( 2.706 0.000 7.346) 7.829 6.774 ( 2.371 0.000 -1.491) 2.801 6.952 ( -4.298 -0.000 7.109) 8.308 7.081 ( -1.292 -0.000 0.158) 1.302 7.131 ( -1.475 -0.000 -0.032) 1.476 7.185 ( -5.656 -0.000 -5.642) 7.989 7.205 ( 3.939 0.000 -0.679) 3.997 7.590 ( 4.977 0.000 4.217) 6.523 7.645 ( 0.418 0.000 2.862) 2.893 7.734 ( -1.197 -0.000 -1.989) 2.321 8.081 ( 2.865 0.000 0.504) 2.909 8.107 ( 0.479 0.000 -1.420) 1.499 8.109 ( 2.495 0.000 -1.005) 2.690 8.172 ( -0.672 -0.000 0.379) 0.772 9.531 ( -0.545 -0.000 -0.341) 0.643 9.610 ( 0.385 0.000 0.471) 0.609 9.770 ( 3.325 0.000 2.964) 4.454 9.870 ( 3.726 0.000 3.523) 5.128 9.940 ( -0.570 -0.000 -0.008) 0.570 10.015 ( 0.347 0.000 -0.413) 0.540 10.083 ( -3.811 -0.000 -1.820) 4.223 10.218 ( 1.246 0.000 -2.805) 3.069 10.571 ( -12.067 -0.000 -0.361) 12.073 10.628 ( 1.995 0.000 -0.613) 2.087 10.690 ( -1.407 -0.000 -2.577) 2.936 10.895 ( -3.197 -0.000 1.937) 3.739 10.922 ( -1.352 -0.000 1.770) 2.227 11.100 ( -0.620 -0.000 -0.056) 0.623 11.110 ( -4.129 -0.000 0.785) 4.203 11.391 ( 0.242 0.000 0.159) 0.290 11.544 ( 6.232 0.000 -5.622) 8.393 11.600 ( 4.225 0.000 -5.297) 6.776 15.881 ( 4.713 0.000 8.397) 9.629 16.429 ( 5.830 0.000 1.813) 6.105 16.645 ( -0.127 -0.000 -3.791) 3.793 16.844 ( -8.306 -0.000 4.055) 9.243 17.164 ( 6.927 0.000 -3.671) 7.839 17.782 ( 1.399 0.000 3.966) 4.205 ======================= Grid point 66 (31/100) ======================= q-point: (-0.57 0.29 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 172 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.434 ( 0.504 -0.254 -3.828) 3.869 1.582 ( -5.538 -0.883 -6.423) 8.526 1.723 ( -5.532 4.461 -5.260) 8.841 1.808 ( -2.286 -0.333 11.534) 11.763 1.980 ( -4.322 9.165 7.268) 12.470 2.050 ( -1.723 -0.552 -3.297) 3.761 2.163 ( 3.976 6.812 1.990) 8.135 2.299 ( 6.880 6.050 -0.368) 9.169 2.406 ( -0.982 4.393 0.490) 4.528 2.464 ( 6.892 0.208 0.957) 6.961 2.638 ( -0.224 -1.726 -1.611) 2.372 2.706 ( -0.845 1.789 -0.615) 2.072 2.777 ( -1.626 -1.649 6.773) 7.158 2.841 ( -1.893 0.582 5.572) 5.914 3.019 ( 4.588 0.902 -5.959) 7.574 3.056 ( 0.408 -3.446 2.147) 4.081 3.234 ( 1.596 -1.619 -3.413) 4.101 3.264 ( 7.830 -2.786 -1.173) 8.394 3.379 ( -0.316 3.852 -2.272) 4.483 3.445 ( 3.428 -4.758 -2.567) 6.401 3.562 ( 6.793 -4.460 -8.006) 11.407 3.643 ( -5.878 5.431 8.657) 11.789 3.695 ( -0.016 -3.185 -1.783) 3.650 3.836 ( -2.123 1.848 2.963) 4.087 3.889 ( -0.212 -2.325 5.489) 5.965 3.983 ( -0.561 7.510 -2.744) 8.016 4.054 ( 2.533 4.926 -0.708) 5.584 4.166 ( -0.682 -1.236 1.417) 2.000 4.295 ( -8.633 -2.203 -1.878) 9.105 4.363 ( 0.847 1.279 2.154) 2.644 4.473 ( 4.167 4.143 3.195) 6.689 4.525 ( 3.075 4.103 1.459) 5.331 4.569 ( -3.169 -0.083 1.058) 3.342 4.669 ( -0.913 -1.273 5.402) 5.625 4.720 ( 3.514 -3.522 -0.682) 5.022 4.785 ( -3.091 -1.441 2.615) 4.297 4.942 ( 5.204 -5.629 -3.306) 8.349 5.038 ( 1.835 -3.593 1.534) 4.316 5.244 ( -3.579 2.075 -2.785) 4.987 5.343 ( -1.815 4.168 -4.220) 6.203 5.377 ( -5.446 -1.086 -2.494) 6.088 5.464 ( 0.477 7.115 1.956) 7.394 5.562 ( 2.586 4.000 -4.275) 6.400 5.591 ( 0.353 1.189 -2.997) 3.244 5.736 ( 1.477 -3.397 -6.095) 7.133 5.784 ( 0.027 -0.868 3.246) 3.361 5.835 ( 0.622 2.736 -5.362) 6.051 5.861 ( 1.015 -4.103 2.252) 4.789 5.981 ( 1.833 -6.556 -5.317) 8.637 6.177 ( -2.531 -0.629 3.901) 4.692 6.243 ( -0.372 -9.558 -1.020) 9.619 6.515 ( 1.244 2.209 -1.555) 2.974 6.713 ( 1.099 0.108 2.441) 2.679 6.772 ( 2.218 0.788 3.010) 3.821 6.959 ( -2.856 0.839 5.646) 6.383 7.016 ( -2.506 4.318 -1.106) 5.113 7.090 ( -3.962 0.183 -0.606) 4.013 7.149 ( -3.407 -4.672 1.158) 5.897 7.267 ( 2.821 -2.957 -0.231) 4.094 7.636 ( -1.619 0.487 0.213) 1.704 7.669 ( 3.253 2.951 1.084) 4.524 7.722 ( 0.762 -1.976 0.793) 2.261 8.079 ( 1.099 1.971 -0.095) 2.259 8.109 ( 1.681 0.048 -1.718) 2.404 8.141 ( 1.302 -0.297 1.105) 1.734 8.182 ( -0.280 -1.212 0.713) 1.434 9.529 ( -0.069 -0.397 -0.164) 0.435 9.615 ( 0.430 0.224 -0.099) 0.495 9.797 ( 3.401 3.673 0.611) 5.042 9.919 ( 1.372 1.488 2.940) 3.570 9.960 ( 1.218 -2.234 0.042) 2.545 9.985 ( -3.080 -0.460 -3.526) 4.704 10.062 ( -0.332 -0.425 2.386) 2.446 10.202 ( 0.805 0.243 -3.984) 4.072 10.421 ( -9.572 3.270 -0.282) 10.119 10.642 ( 0.727 0.452 1.146) 1.430 10.683 ( 2.012 -3.064 -4.957) 6.165 10.831 ( -2.805 3.438 1.847) 4.807 10.975 ( -1.842 -4.698 1.542) 5.277 11.076 ( -2.266 0.283 0.576) 2.355 11.086 ( -2.653 0.038 0.429) 2.688 11.382 ( 0.388 1.661 0.333) 1.738 11.562 ( 4.909 0.383 -4.586) 6.729 11.615 ( 3.197 -2.087 -4.829) 6.156 16.007 ( 4.201 -0.397 8.845) 9.800 16.494 ( 3.219 1.286 0.981) 3.602 16.551 ( -2.628 3.687 -4.687) 6.517 16.826 ( -4.798 -2.247 5.492) 7.631 17.245 ( 7.569 -5.425 -6.420) 11.311 17.798 ( -0.958 2.726 3.487) 4.528 ======================= Grid point 67 (32/100) ======================= q-point: (-0.43 0.29 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 172 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.383 ( 0.507 2.454 -4.212) 4.901 1.549 ( -3.184 8.446 -3.901) 9.833 1.602 ( 1.907 -4.330 -0.513) 4.759 1.703 ( -6.106 12.478 -1.473) 13.969 1.911 ( -3.306 2.889 4.859) 6.549 1.992 ( -0.460 2.523 0.942) 2.732 2.090 ( -0.331 8.644 0.611) 8.672 2.239 ( 0.791 5.538 -5.569) 7.893 2.365 ( 4.691 7.812 3.701) 9.835 2.516 ( 1.116 1.948 -1.678) 2.803 2.588 ( -3.125 -1.722 2.319) 4.255 2.701 ( -7.830 7.720 2.643) 11.309 2.738 ( 1.650 -1.131 0.895) 2.192 2.941 ( 6.816 -5.950 0.565) 9.066 2.995 ( 1.075 -0.220 -5.067) 5.184 3.112 ( -1.927 -2.588 1.262) 3.464 3.219 ( -2.658 9.637 0.651) 10.018 3.233 ( 1.947 2.055 -0.756) 2.930 3.415 ( 6.169 -7.553 -3.611) 10.399 3.490 ( -5.088 5.250 -0.681) 7.343 3.566 ( 5.579 -5.241 -3.693) 8.499 3.665 ( -2.537 -3.499 -1.494) 4.573 3.750 ( 0.756 2.851 0.511) 2.994 3.774 ( -0.674 -0.840 0.241) 1.103 3.867 ( -1.016 3.251 2.786) 4.400 3.960 ( -1.070 2.986 8.691) 9.252 4.036 ( 3.733 1.895 2.358) 4.805 4.168 ( -5.854 -3.798 -0.177) 6.980 4.279 ( 0.463 -3.451 0.215) 3.488 4.388 ( 1.666 -0.936 1.294) 2.308 4.449 ( 1.899 6.290 1.087) 6.660 4.512 ( -1.439 3.122 1.427) 3.722 4.593 ( 3.069 -5.091 -1.536) 6.140 4.669 ( -2.716 2.652 3.083) 4.890 4.782 ( -4.750 -1.205 3.308) 5.912 4.861 ( 6.403 -5.640 -0.731) 8.565 5.007 ( -1.172 -3.004 -3.947) 5.097 5.052 ( 0.608 4.422 -2.640) 5.186 5.181 ( -5.567 5.060 -2.465) 7.917 5.240 ( -0.854 3.443 3.950) 5.309 5.305 ( 4.529 -0.848 -1.810) 4.950 5.399 ( 0.073 -1.155 -2.039) 2.344 5.542 ( 4.901 4.676 -1.828) 7.016 5.564 ( 2.312 3.201 -1.429) 4.199 5.728 ( -1.348 -0.079 -4.560) 4.756 5.760 ( -3.263 -1.217 -1.340) 3.732 5.877 ( 3.490 -6.078 0.552) 7.030 5.949 ( 4.231 -4.536 -3.543) 7.144 6.074 ( 1.237 -4.489 1.535) 4.903 6.186 ( -1.089 -6.322 -2.660) 6.945 6.385 ( -0.544 -11.443 -1.369) 11.537 6.475 ( 1.056 3.210 -0.590) 3.430 6.636 ( -1.620 8.670 0.851) 8.861 6.860 ( 0.580 -2.650 2.168) 3.472 6.944 ( -3.869 2.414 2.253) 5.087 6.977 ( 2.536 -0.944 2.829) 3.915 7.084 ( -1.517 -0.474 4.446) 4.721 7.173 ( -5.169 -4.675 0.828) 7.019 7.329 ( 1.420 -2.528 0.915) 3.041 7.605 ( -1.836 3.421 -2.895) 4.843 7.628 ( 0.996 1.373 0.680) 1.827 7.776 ( 0.507 -0.971 1.494) 1.853 8.071 ( 1.584 1.818 0.743) 2.523 8.105 ( 0.244 1.778 -0.113) 1.798 8.154 ( -0.029 -0.431 0.426) 0.607 8.199 ( 0.062 -0.610 0.630) 0.879 9.537 ( 0.087 -0.762 0.251) 0.807 9.610 ( 0.184 0.675 -0.786) 1.052 9.775 ( 2.796 3.791 -1.740) 5.022 9.908 ( -1.473 0.314 -2.299) 2.748 9.945 ( -0.907 0.379 1.464) 1.764 9.996 ( -0.267 -0.273 -0.353) 0.520 10.091 ( -0.396 -0.816 2.484) 2.644 10.166 ( 1.797 0.959 -4.443) 4.888 10.303 ( -4.189 2.825 1.372) 5.236 10.668 ( 3.089 0.065 1.270) 3.340 10.704 ( -1.143 -3.209 -3.663) 5.003 10.805 ( 0.638 -0.694 1.565) 1.827 11.006 ( -1.147 -1.625 0.370) 2.023 11.043 ( -0.426 2.972 -0.008) 3.002 11.068 ( -4.256 -2.457 1.012) 5.017 11.364 ( 0.077 1.791 -0.304) 1.818 11.571 ( 3.618 0.377 -3.346) 4.942 11.643 ( 3.305 -2.074 -4.230) 5.755 16.115 ( 0.938 -1.332 7.625) 7.797 16.371 ( -0.445 10.184 -2.950) 10.612 16.560 ( -0.081 -1.675 1.787) 2.451 16.870 ( -4.642 -6.004 3.777) 8.477 17.347 ( 7.715 -5.974 -8.484) 12.931 17.745 ( -3.493 5.004 2.315) 6.527 ======================= Grid point 68 (33/100) ======================= q-point: (-0.29 0.29 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 172 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.262 ( -8.545 17.675 -5.391) 20.359 1.385 ( 1.496 5.226 3.169) 6.292 1.459 ( 3.465 11.829 0.418) 12.333 1.735 ( -6.185 -3.050 0.596) 6.922 1.774 ( 4.659 5.045 -0.902) 6.926 1.989 ( 3.529 2.969 -4.797) 6.654 2.034 ( 4.229 4.043 1.936) 6.163 2.138 ( -3.755 3.270 0.232) 4.985 2.312 ( -1.384 3.510 2.919) 4.770 2.522 ( 1.407 -0.369 5.737) 5.919 2.585 ( -1.273 0.138 1.907) 2.297 2.632 ( -0.738 1.535 3.379) 3.784 2.738 ( 0.769 3.710 -1.071) 3.938 2.957 ( -0.559 -0.058 -4.569) 4.603 2.980 ( -6.508 7.345 0.098) 9.813 3.109 ( 10.306 -1.874 0.002) 10.475 3.171 ( -1.932 0.323 4.238) 4.668 3.252 ( 0.046 -0.282 -0.847) 0.894 3.374 ( -3.268 1.109 -2.899) 4.507 3.517 ( 3.176 5.945 -2.329) 7.131 3.561 ( -0.812 -6.355 -3.670) 7.383 3.648 ( -3.354 -1.227 -1.659) 3.938 3.721 ( 2.555 3.019 -2.901) 4.905 3.830 ( -1.265 -0.904 1.538) 2.187 3.853 ( -1.355 -6.172 2.450) 6.777 4.003 ( -1.355 0.026 8.117) 8.229 4.091 ( 1.874 -0.186 2.326) 2.993 4.169 ( -2.415 -2.844 1.824) 4.152 4.336 ( 1.399 -2.421 0.276) 2.809 4.359 ( -2.620 4.931 -0.464) 5.603 4.414 ( -3.075 2.133 1.139) 3.912 4.464 ( 5.034 8.340 1.041) 9.797 4.573 ( -7.394 4.968 1.869) 9.102 4.684 ( -3.478 -5.011 0.787) 6.151 4.770 ( -1.389 -5.062 -2.556) 5.838 4.884 ( 1.002 2.391 -7.268) 7.717 4.986 ( 0.535 -6.977 -0.171) 6.999 5.042 ( 0.661 6.736 -0.418) 6.781 5.093 ( -1.117 -4.342 3.967) 5.987 5.251 ( 5.848 4.904 3.951) 8.594 5.358 ( 1.080 -1.016 -0.302) 1.513 5.437 ( 5.095 1.098 -1.327) 5.378 5.534 ( 0.055 1.935 0.443) 1.986 5.563 ( 3.284 0.233 -0.407) 3.317 5.658 ( 0.646 -3.992 -8.083) 9.038 5.758 ( -1.409 0.818 2.253) 2.780 5.972 ( 3.098 -2.626 -1.604) 4.367 6.016 ( 2.428 -4.655 -6.421) 8.294 6.139 ( 0.257 -8.067 -3.726) 8.890 6.269 ( 1.077 -4.978 -2.167) 5.535 6.412 ( -1.249 0.659 2.055) 2.493 6.505 ( 0.567 3.901 0.440) 3.966 6.550 ( 0.915 -5.233 -3.761) 6.509 6.865 ( -1.535 4.985 4.220) 6.709 6.902 ( -3.247 -0.427 2.132) 3.908 7.063 ( 0.935 -1.695 3.905) 4.359 7.123 ( 0.122 -1.655 4.799) 5.078 7.178 ( -3.392 -3.927 -0.193) 5.192 7.376 ( -0.394 -2.199 1.241) 2.556 7.493 ( -2.379 6.037 -2.233) 6.862 7.651 ( 2.957 -0.236 -0.336) 2.985 7.768 ( -2.752 1.078 0.025) 2.955 8.057 ( 0.204 5.189 1.568) 5.425 8.073 ( -1.387 -0.070 -0.192) 1.402 8.175 ( 0.874 -1.452 0.368) 1.734 8.205 ( 0.434 0.828 0.259) 0.971 9.551 ( 0.013 -0.465 0.323) 0.566 9.593 ( 0.212 0.595 -0.907) 1.106 9.729 ( -1.334 2.420 -2.051) 3.441 9.861 ( -2.732 1.850 -2.986) 4.449 9.935 ( 0.507 0.209 -0.176) 0.576 9.982 ( 0.463 -0.656 -1.118) 1.376 10.133 ( 0.546 -1.914 4.220) 4.666 10.168 ( 3.913 1.261 -1.434) 4.354 10.282 ( 1.397 0.368 3.213) 3.523 10.685 ( -2.143 -1.137 -0.457) 2.469 10.729 ( 2.567 -1.856 1.237) 3.401 10.872 ( 3.277 -3.172 0.461) 4.584 10.999 ( 0.053 3.024 0.132) 3.028 11.014 ( 0.043 -0.740 0.175) 0.762 11.060 ( -2.707 -1.633 -0.427) 3.191 11.327 ( -0.770 1.978 -1.863) 2.825 11.577 ( 2.307 0.542 -2.039) 3.126 11.666 ( 3.788 -0.489 -4.091) 5.597 16.134 ( -9.115 -0.082 1.665) 9.266 16.287 ( 9.155 7.501 4.274) 12.584 16.568 ( -3.288 -0.520 -0.569) 3.377 16.922 ( -6.964 -7.644 2.169) 10.565 17.415 ( 7.348 -1.016 -8.329) 11.154 17.645 ( -4.745 3.838 0.548) 6.127 ======================= Grid point 69 (34/100) ======================= q-point: (-0.14 0.29 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 172 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.822 ( -15.666 17.645 6.483) 24.471 1.334 ( 9.465 16.288 11.684) 22.167 1.521 ( 7.038 -3.877 -1.241) 8.131 1.704 ( 0.848 -1.988 3.412) 4.039 1.787 ( 3.133 3.287 -1.621) 4.822 1.976 ( 4.416 -0.881 -0.987) 4.610 2.075 ( 2.906 -0.391 3.391) 4.483 2.150 ( 3.947 -1.540 1.346) 4.446 2.302 ( 1.832 6.769 7.080) 9.965 2.498 ( -5.001 2.916 -3.560) 6.796 2.591 ( -0.167 3.548 4.844) 6.007 2.684 ( -4.371 -1.376 -0.931) 4.676 2.721 ( 2.367 -4.560 5.833) 7.773 2.830 ( -3.371 4.868 2.431) 6.401 2.936 ( -1.504 -1.610 -4.200) 4.743 3.144 ( -1.229 4.839 3.278) 5.973 3.195 ( -0.307 4.644 -1.334) 4.842 3.241 ( 5.278 -1.975 1.731) 5.895 3.350 ( 2.896 -2.268 -5.858) 6.917 3.427 ( -1.957 2.463 -1.957) 3.705 3.588 ( -0.265 -0.300 -4.462) 4.480 3.623 ( 0.302 -0.436 -3.563) 3.602 3.668 ( 0.163 1.355 -2.220) 2.606 3.873 ( -3.654 -2.844 1.441) 4.849 3.899 ( -0.260 -3.075 0.772) 3.181 4.042 ( 0.350 -0.446 4.026) 4.066 4.112 ( -3.517 -1.476 0.178) 3.818 4.176 ( 0.008 2.122 -1.095) 2.388 4.252 ( -8.171 2.901 5.476) 10.255 4.351 ( -0.462 5.531 0.540) 5.576 4.383 ( 4.988 1.059 -1.067) 5.210 4.414 ( -5.441 -0.932 3.091) 6.327 4.449 ( -5.013 3.171 6.021) 8.452 4.700 ( -1.466 -4.236 -2.296) 5.036 4.800 ( -0.417 -1.993 -0.827) 2.198 4.919 ( 4.845 -3.184 -1.809) 6.073 4.961 ( -3.234 -0.048 -1.757) 3.681 5.080 ( 4.881 -1.234 -2.315) 5.541 5.184 ( -5.363 -7.292 6.331) 11.046 5.284 ( 6.204 2.680 1.130) 6.852 5.377 ( 3.566 -0.104 -1.993) 4.086 5.440 ( -0.152 2.693 1.401) 3.040 5.517 ( 2.041 0.803 -0.067) 2.195 5.584 ( 3.690 -0.146 0.996) 3.825 5.713 ( 1.110 -1.778 -1.788) 2.755 5.759 ( 2.700 -3.721 -4.790) 6.639 5.985 ( 0.527 -0.127 -6.407) 6.430 6.015 ( -2.468 -2.303 -1.534) 3.708 6.164 ( -1.513 -1.602 -6.546) 6.907 6.303 ( 0.028 1.001 1.006) 1.420 6.412 ( 2.261 -1.827 0.532) 2.956 6.512 ( 2.745 -1.251 -2.072) 3.660 6.589 ( 0.472 -5.090 -7.331) 8.938 6.778 ( -2.933 10.370 5.973) 12.321 6.902 ( -1.979 -0.711 2.314) 3.127 7.081 ( -5.053 -2.088 3.314) 6.394 7.180 ( -1.804 -1.349 3.392) 4.072 7.231 ( 3.141 -1.439 1.985) 3.985 7.361 ( 0.697 2.870 -3.633) 4.682 7.418 ( -2.247 -1.141 1.065) 2.735 7.676 ( 1.782 1.822 -1.046) 2.755 7.700 ( -2.960 2.205 0.675) 3.752 8.006 ( -0.240 3.248 1.499) 3.585 8.061 ( -0.488 -0.165 -0.508) 0.724 8.191 ( 0.595 1.979 -0.398) 2.104 8.205 ( 0.784 -0.707 0.400) 1.129 9.550 ( 0.553 0.295 0.059) 0.630 9.599 ( -0.432 -0.920 0.842) 1.319 9.659 ( -2.818 1.770 -0.985) 3.470 9.781 ( -1.693 1.958 -1.851) 3.182 9.960 ( 2.597 -0.103 0.237) 2.610 9.990 ( 0.072 -0.978 -1.103) 1.476 10.154 ( 1.256 1.155 -0.701) 1.845 10.206 ( 0.673 -1.282 1.329) 1.966 10.402 ( 3.297 -7.008 6.550) 10.143 10.684 ( -0.884 -1.825 -0.433) 2.074 10.789 ( 2.513 -1.064 1.543) 3.135 10.922 ( -1.954 -0.820 1.581) 2.644 10.980 ( 1.719 1.407 0.759) 2.348 11.044 ( -0.092 -2.870 -0.178) 2.877 11.063 ( 4.882 -0.448 -1.382) 5.094 11.275 ( -0.661 1.141 -2.887) 3.174 11.564 ( 1.342 2.151 -2.239) 3.382 11.670 ( 4.074 1.370 -4.373) 6.132 16.017 ( -8.355 3.769 1.441) 9.278 16.373 ( 7.236 0.945 3.836) 8.244 16.470 ( -5.412 4.848 -2.487) 7.680 16.952 ( -8.409 -7.552 2.151) 11.505 17.372 ( 4.215 8.282 -5.216) 10.657 17.598 ( -0.747 -1.913 -1.022) 2.294 ======================= Grid point 73 (35/100) ======================= q-point: ( 0.43 -0.57 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.428 ( 1.172 0.000 -4.303) 4.460 1.464 ( -0.952 -0.000 -3.445) 3.574 1.672 ( -0.070 -0.000 -6.258) 6.258 1.883 ( -3.070 -0.000 11.179) 11.593 2.002 ( -8.813 -0.000 2.213) 9.087 2.009 ( -0.296 -0.000 -3.415) 3.428 2.230 ( 1.019 0.000 -5.483) 5.577 2.381 ( -1.817 -0.000 0.649) 1.930 2.418 ( 1.793 0.000 0.946) 2.028 2.532 ( 7.143 0.000 -0.878) 7.197 2.661 ( -0.417 -0.000 1.579) 1.633 2.699 ( -3.749 -0.000 -2.401) 4.451 2.756 ( -1.967 -0.000 4.789) 5.178 2.889 ( -0.586 -0.000 3.520) 3.568 2.997 ( 1.057 0.000 -6.658) 6.741 3.046 ( -2.138 -0.000 2.883) 3.589 3.240 ( 4.353 0.000 -2.521) 5.030 3.304 ( 6.465 0.000 -4.002) 7.604 3.380 ( -1.073 -0.000 -5.459) 5.563 3.440 ( 6.251 0.000 -2.872) 6.879 3.526 ( 6.765 0.000 -4.593) 8.177 3.627 ( 0.415 0.000 -4.434) 4.453 3.699 ( -6.247 -0.000 9.316) 11.217 3.828 ( -4.470 -0.000 4.052) 6.033 4.012 ( 4.848 0.000 11.585) 12.558 4.022 ( 1.768 0.000 -4.056) 4.424 4.086 ( -10.562 -0.000 -2.595) 10.876 4.136 ( 3.745 0.000 -0.693) 3.809 4.170 ( -2.598 -0.000 1.554) 3.027 4.417 ( 2.908 0.000 -2.606) 3.904 4.457 ( -6.040 -0.000 5.280) 8.022 4.582 ( -5.495 -0.000 -0.926) 5.572 4.631 ( 4.628 0.000 2.945) 5.486 4.651 ( -1.803 -0.000 3.135) 3.616 4.746 ( -4.799 -0.000 4.259) 6.417 4.749 ( 4.231 0.000 1.295) 4.425 4.959 ( 9.283 0.000 -2.185) 9.537 5.066 ( 3.193 0.000 -2.571) 4.100 5.220 ( 0.661 0.000 -4.015) 4.069 5.230 ( -5.977 -0.000 -1.039) 6.066 5.379 ( 2.151 0.000 -2.544) 3.331 5.529 ( -3.298 -0.000 -1.182) 3.503 5.584 ( 1.191 0.000 0.920) 1.504 5.595 ( -2.704 -0.000 0.911) 2.853 5.657 ( 7.620 0.000 -6.721) 10.160 5.807 ( 2.494 0.000 -2.940) 3.856 5.825 ( 0.370 0.000 -9.016) 9.023 5.889 ( 0.752 0.000 6.459) 6.503 5.928 ( 3.554 0.000 1.768) 3.969 6.160 ( -4.777 -0.000 0.407) 4.794 6.163 ( -1.159 -0.000 1.495) 1.892 6.531 ( 1.498 0.000 -1.774) 2.322 6.749 ( 3.905 0.000 0.063) 3.905 6.838 ( 0.428 0.000 4.548) 4.568 6.960 ( -6.093 -0.000 4.872) 7.802 6.988 ( -5.263 -0.000 -0.813) 5.326 7.057 ( 0.250 0.000 -1.588) 1.607 7.101 ( -2.620 -0.000 5.085) 5.721 7.279 ( 3.086 0.000 -0.140) 3.089 7.595 ( -2.832 -0.000 -1.721) 3.314 7.716 ( 0.418 0.000 -0.268) 0.497 7.755 ( 2.721 0.000 2.648) 3.797 8.093 ( -0.377 -0.000 0.343) 0.510 8.105 ( 1.528 0.000 -1.449) 2.106 8.179 ( 1.254 0.000 2.064) 2.416 8.181 ( 0.134 0.000 0.963) 0.972 9.526 ( 0.198 0.000 -0.039) 0.202 9.618 ( 0.231 0.000 -0.534) 0.582 9.840 ( 0.622 0.000 -4.536) 4.578 9.915 ( -1.743 -0.000 -0.387) 1.786 9.932 ( -0.577 -0.000 -0.406) 0.705 9.996 ( 1.816 0.000 1.753) 2.525 10.077 ( -0.419 -0.000 2.838) 2.869 10.185 ( 2.691 0.000 -4.855) 5.551 10.353 ( -6.309 -0.000 0.730) 6.351 10.608 ( -1.619 -0.000 -2.354) 2.857 10.696 ( 5.001 0.000 -1.988) 5.382 10.864 ( -2.064 -0.000 1.406) 2.498 10.914 ( -2.104 -0.000 2.809) 3.510 11.041 ( -2.962 -0.000 0.986) 3.121 11.087 ( -0.415 -0.000 -0.290) 0.506 11.396 ( -0.093 -0.000 0.356) 0.368 11.574 ( 3.714 0.000 -5.335) 6.501 11.604 ( 3.814 0.000 -3.229) 4.997 16.101 ( -1.267 -0.000 9.527) 9.611 16.536 ( 0.804 0.000 1.886) 2.050 16.545 ( 2.952 0.000 -3.552) 4.619 16.788 ( -5.151 -0.000 3.026) 5.974 17.226 ( 6.373 0.000 -7.917) 10.164 17.817 ( -2.813 -0.000 1.792) 3.335 ======================= Grid point 75 (36/100) ======================= q-point: (-0.43 0.43 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 172 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.381 ( 0.348 0.063 -2.994) 3.014 1.531 ( 4.232 -4.684 0.126) 6.314 1.607 ( 1.939 6.611 -5.262) 8.669 1.823 ( -2.625 8.600 -4.154) 9.905 1.910 ( -4.637 1.661 1.747) 5.226 1.999 ( -0.860 -2.009 0.836) 2.340 2.170 ( -1.092 3.018 0.117) 3.211 2.298 ( -0.681 12.153 -6.741) 13.914 2.419 ( -1.469 -2.640 0.956) 3.168 2.523 ( -2.666 5.299 -4.575) 7.491 2.642 ( -0.702 0.454 1.682) 1.878 2.650 ( -2.129 -1.382 -2.208) 3.364 2.792 ( -4.011 0.108 6.559) 7.689 2.891 ( -2.926 -1.594 2.894) 4.413 2.977 ( 8.178 -0.763 -6.920) 10.741 3.072 ( -0.661 -3.030 1.713) 3.543 3.231 ( -0.309 0.901 -1.444) 1.730 3.326 ( 0.178 2.659 -3.531) 4.423 3.363 ( 3.916 -3.763 -2.958) 6.184 3.467 ( -2.477 3.950 -4.220) 6.289 3.545 ( 8.123 -4.059 -3.771) 9.833 3.623 ( -4.512 -0.213 1.510) 4.763 3.724 ( 1.596 -1.037 -1.130) 2.214 3.800 ( 0.075 2.322 2.172) 3.181 3.955 ( -4.090 2.211 3.576) 5.865 4.001 ( -3.157 0.426 -2.070) 3.799 4.104 ( -2.130 -0.851 6.076) 6.495 4.140 ( 2.498 4.344 6.455) 8.172 4.240 ( 3.256 -3.177 0.704) 4.603 4.384 ( -0.775 0.566 0.409) 1.044 4.479 ( -4.144 0.665 -1.258) 4.381 4.523 ( -3.385 -2.436 3.066) 5.176 4.580 ( -0.755 2.353 3.016) 3.899 4.728 ( -3.369 1.011 2.464) 4.295 4.764 ( -1.655 1.748 2.636) 3.569 4.786 ( 0.710 -6.794 -2.140) 7.158 4.922 ( -4.577 0.718 -8.269) 9.479 5.060 ( 3.615 -0.154 -0.086) 3.619 5.202 ( 2.471 2.979 -0.324) 3.884 5.334 ( 10.274 -0.965 3.583) 10.924 5.338 ( 0.507 3.892 -1.066) 4.067 5.438 ( 1.710 3.467 -2.458) 4.580 5.578 ( -0.318 -1.150 -2.519) 2.787 5.603 ( -2.406 -1.175 -0.417) 2.710 5.710 ( 1.392 5.831 -6.578) 8.900 5.752 ( 6.371 -1.974 0.492) 6.688 5.841 ( 3.530 -1.969 -0.210) 4.047 5.924 ( 2.576 -1.788 -2.263) 3.867 6.043 ( -0.313 -4.370 4.731) 6.448 6.096 ( -3.570 -1.150 -2.240) 4.369 6.224 ( -0.582 -9.622 -0.601) 9.658 6.525 ( 1.669 2.420 0.342) 2.960 6.727 ( -0.864 6.795 -1.265) 6.966 6.851 ( -0.881 -1.329 2.998) 3.396 6.932 ( -6.873 -2.880 3.693) 8.317 7.000 ( 1.015 -0.285 3.172) 3.343 7.064 ( 1.343 -2.519 -1.099) 3.059 7.131 ( -0.710 0.074 5.703) 5.747 7.319 ( 0.870 -1.794 0.875) 2.177 7.562 ( -1.120 -0.369 -2.891) 3.123 7.697 ( 1.148 3.056 0.271) 3.276 7.775 ( -2.573 0.086 1.549) 3.005 8.088 ( 0.019 1.097 0.117) 1.103 8.120 ( 1.049 -1.073 -0.004) 1.501 8.180 ( -0.499 1.895 1.313) 2.359 8.202 ( 0.232 -0.531 1.864) 1.952 9.532 ( 0.232 -0.487 0.234) 0.588 9.610 ( -0.221 0.370 -1.138) 1.217 9.778 ( -1.494 0.924 -5.363) 5.644 9.880 ( -2.462 0.056 -2.411) 3.447 9.948 ( 2.324 0.356 -0.077) 2.352 9.992 ( -1.924 1.060 -0.336) 2.222 10.095 ( -0.993 -0.706 2.757) 3.014 10.200 ( 6.842 0.897 -2.853) 7.468 10.307 ( -2.178 0.967 1.684) 2.918 10.602 ( -0.733 -3.498 -3.035) 4.689 10.734 ( 4.201 0.433 -0.619) 4.268 10.832 ( -0.117 1.506 2.487) 2.910 10.955 ( -1.997 -3.880 1.622) 4.656 11.026 ( -1.436 -0.336 0.659) 1.615 11.069 ( -0.120 1.613 -0.544) 1.706 11.383 ( -0.357 1.957 -0.226) 2.002 11.575 ( 2.879 -0.994 -4.518) 5.449 11.632 ( 4.220 -0.923 -2.925) 5.217 16.119 ( -7.571 0.018 7.483) 10.645 16.532 ( 3.244 4.451 -0.386) 5.521 16.564 ( 3.125 3.248 3.828) 5.914 16.764 ( -5.800 -3.320 0.541) 6.705 17.265 ( 4.878 -6.558 -8.365) 11.695 17.763 ( -4.105 3.032 -0.619) 5.141 ======================= Grid point 76 (37/100) ======================= q-point: (-0.29 0.43 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 172 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.308 ( -11.403 13.514 -6.279) 18.764 1.447 ( 3.505 0.735 -1.239) 3.790 1.631 ( 0.468 -1.619 0.900) 1.910 1.714 ( 7.622 6.268 -1.030) 9.922 1.883 ( 7.070 1.824 -1.598) 7.474 2.014 ( -8.088 1.445 3.702) 9.011 2.084 ( 2.695 5.066 -7.349) 9.324 2.151 ( 0.583 1.709 -0.761) 1.959 2.324 ( -4.902 3.023 -2.079) 6.123 2.463 ( -1.343 -1.356 -1.578) 2.476 2.629 ( -1.600 -1.888 -0.288) 2.492 2.663 ( -1.434 -0.483 2.524) 2.943 2.794 ( 0.338 1.349 1.798) 2.273 2.828 ( -9.769 1.373 2.259) 10.120 3.064 ( 2.582 4.427 -1.963) 5.488 3.131 ( 8.110 -6.837 -2.854) 10.985 3.194 ( -5.079 0.003 0.835) 5.147 3.277 ( 3.164 2.494 -0.581) 4.070 3.341 ( -2.274 3.662 -3.325) 5.444 3.438 ( -0.667 -5.799 -2.014) 6.175 3.580 ( 1.537 2.416 -4.131) 5.027 3.657 ( 3.671 -1.681 0.346) 4.053 3.684 ( -0.744 -0.839 -1.825) 2.142 3.818 ( 1.223 -0.152 1.194) 1.716 3.897 ( -0.139 9.350 -0.193) 9.353 3.978 ( -4.238 -4.203 3.978) 7.173 4.132 ( -3.741 2.861 6.627) 8.131 4.163 ( -2.030 -2.364 5.377) 6.215 4.307 ( -0.669 -1.685 1.943) 2.658 4.347 ( -2.282 0.929 -4.589) 5.208 4.447 ( 1.078 1.460 1.878) 2.612 4.493 ( -7.755 1.757 4.909) 9.345 4.615 ( -5.115 1.578 1.346) 5.519 4.642 ( -5.224 -5.678 -0.345) 7.723 4.681 ( 0.224 5.946 -1.731) 6.196 4.826 ( 1.366 -3.418 -2.342) 4.363 4.930 ( 5.591 -3.100 -4.077) 7.582 5.090 ( 0.788 2.037 3.110) 3.801 5.169 ( 0.682 5.561 0.991) 5.690 5.286 ( -0.636 -1.145 1.342) 1.875 5.419 ( 4.869 1.941 -1.224) 5.383 5.493 ( 5.822 -0.502 -2.295) 6.278 5.546 ( -2.421 0.957 -2.890) 3.890 5.591 ( 3.487 -0.605 -3.521) 4.992 5.643 ( 6.094 3.492 -0.123) 7.025 5.812 ( 1.240 2.865 5.136) 6.010 5.914 ( 0.392 -5.303 -3.304) 6.261 5.966 ( 3.545 -2.375 -5.099) 6.649 6.015 ( 0.576 -3.366 -6.451) 7.299 6.166 ( -3.613 -7.818 2.318) 8.919 6.370 ( 3.138 -8.656 -0.196) 9.210 6.510 ( 1.231 4.129 2.193) 4.835 6.630 ( 2.433 5.886 -1.050) 6.455 6.877 ( -2.878 -1.538 3.819) 5.023 6.910 ( -6.940 -0.823 4.430) 8.275 7.027 ( -2.209 -0.605 1.834) 2.934 7.138 ( 3.521 -3.704 0.921) 5.193 7.174 ( 2.563 1.061 4.913) 5.643 7.349 ( -1.676 -1.866 1.426) 2.885 7.501 ( -1.962 3.059 -4.058) 5.448 7.696 ( 2.681 0.898 -0.454) 2.864 7.733 ( -4.987 0.600 1.592) 5.269 8.061 ( -1.608 1.347 -0.417) 2.139 8.124 ( -0.546 3.135 0.835) 3.291 8.173 ( 0.738 -0.891 1.251) 1.704 8.222 ( 0.275 0.154 1.187) 1.228 9.545 ( -0.003 -0.690 0.278) 0.744 9.590 ( -0.211 0.204 -1.276) 1.310 9.707 ( -2.430 1.420 -3.294) 4.333 9.814 ( -3.217 0.705 -3.847) 5.065 9.964 ( -0.384 -0.003 -0.363) 0.528 9.972 ( 3.870 0.544 -0.684) 3.967 10.129 ( -0.891 -2.500 3.079) 4.065 10.227 ( 3.498 2.653 -1.552) 4.657 10.321 ( 2.692 -0.950 1.771) 3.360 10.615 ( -0.383 -3.162 -2.298) 3.927 10.774 ( 3.036 -0.147 1.351) 3.326 10.871 ( 0.776 -2.205 2.148) 3.174 10.980 ( -1.993 -2.360 0.087) 3.090 11.035 ( 1.272 0.231 -0.030) 1.293 11.044 ( 2.068 1.023 -0.383) 2.339 11.331 ( -1.405 3.200 -1.963) 4.009 11.587 ( 2.550 -0.571 -2.969) 3.956 11.668 ( 4.016 -1.097 -3.337) 5.335 16.068 ( -9.335 1.372 5.832) 11.093 16.503 ( 2.050 3.121 -1.917) 4.198 16.565 ( 2.029 7.550 7.050) 10.527 16.761 ( -6.279 -6.421 -0.257) 8.984 17.361 ( 4.660 -8.345 -5.950) 11.259 17.648 ( -4.070 5.069 -2.822) 7.086 ======================= Grid point 77 (38/100) ======================= q-point: (-0.14 0.43 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 172 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.887 ( -17.889 12.492 5.609) 22.528 1.526 ( 5.307 -2.485 -4.468) 7.369 1.643 ( 5.155 1.604 -0.432) 5.416 1.772 ( 8.813 7.385 8.544) 14.325 1.866 ( -0.256 4.691 -3.388) 5.792 2.003 ( 1.489 -2.668 2.757) 4.116 2.019 ( -2.040 -6.277 -1.599) 6.791 2.199 ( 3.997 -0.595 2.108) 4.557 2.295 ( 0.183 -4.432 -6.366) 7.759 2.433 ( -3.404 -0.167 -0.739) 3.487 2.588 ( -9.394 2.054 -2.993) 10.071 2.673 ( -1.802 -1.467 1.951) 3.035 2.744 ( 0.590 -1.517 2.964) 3.381 2.827 ( -2.284 -0.899 3.786) 4.512 2.961 ( -0.814 6.731 -0.984) 6.851 3.158 ( -4.766 -0.698 -0.344) 4.829 3.231 ( -2.214 2.019 0.948) 3.143 3.289 ( 9.022 -0.766 -5.956) 10.838 3.305 ( 3.773 -1.201 0.457) 3.986 3.454 ( -0.501 -0.591 -3.583) 3.665 3.536 ( 1.078 0.503 -2.125) 2.435 3.676 ( 6.497 6.183 -2.179) 9.230 3.712 ( 1.671 0.051 -2.695) 3.172 3.796 ( -2.131 -1.431 -0.100) 2.569 3.846 ( -3.171 -0.941 5.743) 6.627 4.002 ( -5.245 -1.691 0.357) 5.522 4.075 ( -4.254 2.837 3.908) 6.435 4.174 ( -5.916 -0.241 3.767) 7.018 4.276 ( -2.421 1.740 3.129) 4.322 4.321 ( -2.972 -2.690 -2.560) 4.756 4.409 ( -4.288 2.382 3.887) 6.259 4.481 ( 4.380 6.144 4.462) 8.766 4.530 ( -2.928 1.385 1.948) 3.779 4.601 ( -2.024 -0.435 -2.156) 2.988 4.728 ( -1.184 -6.800 -0.559) 6.924 4.893 ( 1.397 -3.752 -0.124) 4.005 4.966 ( 4.823 3.209 -1.847) 6.080 5.060 ( -7.617 -1.710 2.313) 8.142 5.154 ( 3.868 0.748 -0.151) 3.943 5.332 ( 3.643 -1.030 0.362) 3.803 5.421 ( 1.627 0.175 -4.394) 4.689 5.474 ( -0.194 1.113 -2.766) 2.988 5.530 ( 2.710 0.586 -1.725) 3.266 5.610 ( 4.643 -0.031 -3.552) 5.846 5.708 ( 5.479 0.572 0.968) 5.594 5.804 ( 0.493 3.920 3.482) 5.266 5.920 ( 0.534 -2.121 -5.991) 6.378 5.969 ( 1.966 -1.633 -3.904) 4.667 6.074 ( 1.016 -4.602 -3.415) 5.820 6.243 ( -2.871 -9.111 0.443) 9.563 6.424 ( -0.535 3.418 2.812) 4.459 6.515 ( 3.957 -1.007 -3.661) 5.484 6.599 ( 5.041 5.756 -1.093) 7.730 6.884 ( -2.941 -0.474 2.451) 3.857 6.905 ( -3.202 -0.816 4.905) 5.914 6.992 ( -6.828 1.339 4.295) 8.177 7.195 ( -0.002 -0.123 2.931) 2.934 7.263 ( 4.465 -2.004 2.241) 5.383 7.348 ( -3.078 -0.009 0.155) 3.082 7.414 ( 1.080 1.759 -3.033) 3.669 7.657 ( -4.967 0.470 -0.327) 5.000 7.731 ( 1.769 0.997 1.041) 2.282 8.024 ( -1.929 0.561 -0.004) 2.009 8.082 ( 0.438 2.882 0.242) 2.926 8.206 ( 0.562 -0.955 0.974) 1.475 8.218 ( 0.003 1.462 0.025) 1.463 9.551 ( 0.137 -0.606 -0.181) 0.647 9.588 ( -0.524 -0.571 0.120) 0.784 9.644 ( -1.595 0.976 -1.749) 2.561 9.759 ( -1.164 -0.082 -1.831) 2.171 9.973 ( 0.517 -0.934 0.283) 1.104 10.002 ( 3.407 0.533 -0.611) 3.502 10.174 ( -0.006 -1.064 1.275) 1.661 10.195 ( -0.753 1.157 -1.173) 1.812 10.390 ( 0.989 -2.992 1.891) 3.675 10.646 ( 1.928 -2.569 -2.529) 4.088 10.815 ( 0.871 -0.368 1.750) 1.989 10.899 ( -3.369 -0.579 2.776) 4.403 10.984 ( 0.110 -1.967 -2.328) 3.050 11.033 ( 1.570 0.846 0.877) 1.988 11.114 ( 6.689 -1.625 -0.005) 6.883 11.255 ( -1.407 1.519 -3.151) 3.770 11.587 ( 1.817 1.261 -2.419) 3.278 11.686 ( 3.443 0.088 -4.061) 5.325 15.984 ( -7.663 2.705 3.943) 9.032 16.450 ( -1.043 2.885 -2.293) 3.830 16.556 ( 3.079 5.785 6.251) 9.057 16.789 ( -5.803 -6.311 2.883) 9.045 17.459 ( 6.037 0.541 -4.291) 7.426 17.532 ( -3.325 -1.386 -2.105) 4.172 ======================= Grid point 82 (39/100) ======================= q-point: (-0.43 -0.43 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.369 ( -0.013 -0.000 0.347) 0.347 1.570 ( 5.698 0.000 1.528) 5.899 1.653 ( 3.189 0.000 -9.098) 9.641 1.715 ( -10.067 -0.000 -9.958) 14.160 1.911 ( -3.928 -0.000 5.591) 6.832 1.962 ( 5.265 0.000 -8.362) 9.882 2.169 ( -0.697 -0.000 -0.700) 0.988 2.336 ( -5.612 -0.000 -7.894) 9.685 2.427 ( 1.357 0.000 1.639) 2.128 2.433 ( -6.337 -0.000 -7.963) 10.177 2.553 ( -2.427 -0.000 0.451) 2.468 2.625 ( -3.182 -0.000 -4.403) 5.433 2.803 ( -4.630 -0.000 9.805) 10.843 2.923 ( -1.089 -0.000 4.998) 5.115 3.023 ( 9.145 0.000 -6.603) 11.280 3.037 ( -3.127 -0.000 4.911) 5.822 3.138 ( -7.097 -0.000 -4.902) 8.626 3.357 ( 0.655 0.000 -0.019) 0.655 3.360 ( 3.851 0.000 -3.635) 5.296 3.457 ( -4.796 -0.000 -1.636) 5.068 3.493 ( -3.905 -0.000 -1.586) 4.215 3.637 ( 13.307 0.000 -4.014) 13.900 3.799 ( 5.621 0.000 1.752) 5.888 3.858 ( 1.959 0.000 3.271) 3.813 3.867 ( -6.103 -0.000 3.001) 6.801 4.010 ( 1.345 0.000 -5.257) 5.426 4.092 ( -5.327 -0.000 5.237) 7.471 4.203 ( 0.648 0.000 1.835) 1.946 4.299 ( 1.788 0.000 0.154) 1.795 4.385 ( -3.835 -0.000 -0.809) 3.920 4.419 ( -5.158 -0.000 4.232) 6.672 4.456 ( -4.973 -0.000 0.944) 5.061 4.602 ( -6.192 -0.000 -0.762) 6.239 4.704 ( -0.208 -0.000 1.528) 1.542 4.726 ( 0.197 0.000 -0.023) 0.199 4.769 ( -5.339 -0.000 4.904) 7.249 4.859 ( 4.590 0.000 -3.378) 5.699 5.118 ( 0.573 0.000 4.952) 4.985 5.313 ( -6.995 -0.000 -1.198) 7.097 5.319 ( 9.359 0.000 1.257) 9.443 5.458 ( 4.789 0.000 -3.099) 5.704 5.465 ( 7.531 0.000 -3.701) 8.391 5.538 ( 3.675 0.000 -2.668) 4.541 5.543 ( -5.188 -0.000 0.094) 5.189 5.738 ( 1.875 0.000 -5.581) 5.887 5.754 ( 5.225 0.000 -5.018) 7.245 5.907 ( 8.252 0.000 -0.943) 8.305 5.930 ( -3.827 -0.000 3.241) 5.015 6.036 ( -5.421 -0.000 7.067) 8.907 6.048 ( 3.122 0.000 -7.715) 8.323 6.172 ( 5.254 0.000 3.619) 6.380 6.584 ( 2.836 0.000 4.047) 4.942 6.713 ( -7.666 -0.000 -3.031) 8.244 6.837 ( -3.732 -0.000 5.231) 6.426 6.878 ( -1.743 -0.000 2.152) 2.770 7.058 ( 3.873 0.000 2.678) 4.708 7.063 ( 1.376 0.000 0.078) 1.378 7.185 ( 2.690 0.000 4.212) 4.998 7.316 ( -1.138 -0.000 1.424) 1.822 7.525 ( -0.889 -0.000 -3.801) 3.904 7.734 ( 1.692 0.000 0.633) 1.807 7.736 ( -7.023 -0.000 2.067) 7.321 8.098 ( -0.990 -0.000 -1.390) 1.706 8.123 ( 1.092 0.000 1.467) 1.829 8.198 ( -0.320 -0.000 1.591) 1.623 8.212 ( -1.185 -0.000 2.387) 2.665 9.534 ( 0.294 0.000 0.255) 0.389 9.594 ( -0.782 -0.000 -1.926) 2.079 9.724 ( -1.515 -0.000 -4.200) 4.465 9.820 ( -3.158 -0.000 -4.176) 5.235 9.975 ( 2.686 0.000 -1.584) 3.118 9.980 ( -1.575 -0.000 0.468) 1.642 10.099 ( -0.726 -0.000 2.463) 2.568 10.270 ( 6.688 0.000 -2.476) 7.132 10.309 ( 1.196 0.000 0.464) 1.283 10.558 ( 1.405 0.000 -3.270) 3.559 10.772 ( 2.808 0.000 0.266) 2.820 10.850 ( -0.614 -0.000 0.679) 0.916 10.929 ( -2.206 -0.000 4.110) 4.665 11.026 ( 1.461 0.000 -0.049) 1.461 11.075 ( 0.512 0.000 -0.989) 1.114 11.398 ( -0.282 -0.000 0.306) 0.417 11.551 ( 2.584 0.000 -5.428) 6.012 11.652 ( 4.150 0.000 -2.804) 5.008 16.095 ( -9.733 -0.000 10.470) 14.295 16.517 ( -4.125 -0.000 0.213) 4.131 16.666 ( -3.321 -0.000 -2.685) 4.271 16.757 ( 7.107 0.000 7.437) 10.286 17.177 ( 1.660 0.000 -8.265) 8.430 17.722 ( -3.732 -0.000 -3.777) 5.310 ======================= Grid point 83 (40/100) ======================= q-point: (-0.29 -0.43 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 172 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.262 ( -16.304 11.528 -8.160) 21.571 1.453 ( -0.965 0.017 -2.018) 2.237 1.669 ( 4.862 0.326 4.053) 6.338 1.691 ( -1.569 -11.597 -10.932) 16.014 1.902 ( 1.009 1.784 -1.260) 2.406 1.994 ( 2.379 -1.223 1.273) 2.962 2.074 ( -2.138 6.395 -14.061) 15.594 2.205 ( 2.048 1.541 0.044) 2.563 2.320 ( -1.660 2.746 -2.048) 3.806 2.434 ( -3.607 -1.222 -2.101) 4.349 2.517 ( -2.202 -0.703 -4.921) 5.437 2.603 ( -8.595 -7.088 0.936) 11.180 2.750 ( -6.049 5.583 5.554) 9.930 2.908 ( -1.274 6.661 3.518) 7.640 3.045 ( -6.517 -3.333 -0.775) 7.361 3.082 ( 3.419 -3.708 -5.220) 7.258 3.115 ( -3.868 -6.962 5.714) 9.802 3.335 ( 4.575 2.838 -4.559) 7.055 3.362 ( 1.097 1.467 1.098) 2.136 3.395 ( 2.520 0.517 -2.040) 3.283 3.520 ( -3.766 -4.896 2.194) 6.555 3.707 ( 8.589 7.748 -2.722) 11.883 3.784 ( 0.264 5.151 1.389) 5.341 3.862 ( 7.084 -0.636 -1.079) 7.194 3.925 ( 0.311 0.845 -0.469) 1.015 3.991 ( 1.584 -0.007 -1.357) 2.086 4.102 ( -5.204 -3.072 6.179) 8.643 4.174 ( -5.864 1.449 -1.372) 6.195 4.233 ( -6.403 -1.348 0.889) 6.603 4.330 ( -4.362 3.915 0.506) 5.883 4.400 ( -7.359 -6.633 2.709) 10.271 4.478 ( -2.381 -5.503 -0.831) 6.053 4.535 ( -2.477 4.220 4.231) 6.469 4.683 ( 3.866 5.138 1.316) 6.563 4.707 ( 0.949 2.902 -2.610) 4.016 4.824 ( 1.367 -1.946 5.146) 5.669 4.938 ( 7.109 -3.844 -1.528) 8.225 5.127 ( -6.563 2.955 4.676) 8.583 5.195 ( -3.981 1.322 -0.416) 4.216 5.361 ( 2.216 4.262 -0.827) 4.874 5.425 ( -1.943 -0.680 -2.807) 3.481 5.484 ( 1.773 2.942 -2.855) 4.466 5.521 ( 4.750 -1.694 -6.271) 8.047 5.636 ( 10.061 -2.420 -1.956) 10.531 5.725 ( 2.863 0.015 -2.959) 4.117 5.795 ( 0.365 -5.557 -2.037) 5.930 5.890 ( -3.513 2.579 3.340) 5.491 5.986 ( 8.032 1.666 -1.685) 8.374 6.013 ( 6.325 3.050 -4.535) 8.359 6.044 ( -4.346 -4.686 1.515) 6.569 6.341 ( 5.974 -6.221 2.960) 9.118 6.592 ( -1.560 2.617 1.183) 3.268 6.682 ( 2.271 -1.650 3.165) 4.230 6.825 ( -7.278 1.174 6.634) 9.917 6.874 ( -1.740 -0.086 1.385) 2.225 7.062 ( 0.390 1.889 1.662) 2.546 7.142 ( 3.608 -2.810 1.467) 4.803 7.247 ( 3.398 -0.118 1.861) 3.876 7.315 ( -2.817 -1.428 1.616) 3.547 7.473 ( -1.045 0.926 -4.866) 5.062 7.663 ( -7.413 0.791 2.417) 7.837 7.755 ( 1.053 0.554 1.301) 1.763 8.052 ( -2.771 1.419 -1.354) 3.395 8.143 ( -0.203 0.235 0.408) 0.513 8.192 ( -0.406 1.062 2.182) 2.461 8.228 ( -0.878 -0.746 1.807) 2.143 9.540 ( 0.142 -0.146 -0.086) 0.222 9.571 ( -0.510 -0.499 -1.644) 1.792 9.675 ( -1.851 1.043 -2.403) 3.208 9.756 ( -2.205 -0.316 -3.996) 4.574 9.965 ( 0.226 0.574 0.206) 0.650 9.996 ( 1.321 -1.114 -0.848) 1.924 10.121 ( 0.799 -0.786 1.537) 1.902 10.272 ( 0.274 2.028 -1.036) 2.293 10.356 ( 6.093 0.157 -2.705) 6.669 10.572 ( 2.767 -2.477 -2.912) 4.719 10.803 ( 1.226 -0.438 1.560) 2.032 10.862 ( -0.192 -1.298 0.837) 1.557 10.941 ( -2.188 -1.165 2.225) 3.331 11.058 ( 2.889 -0.124 -0.248) 2.903 11.075 ( 2.907 -0.127 -0.562) 2.964 11.355 ( -1.119 4.905 -1.433) 5.231 11.563 ( 2.605 -2.985 -4.328) 5.868 11.673 ( 3.547 -0.464 -3.462) 4.979 16.067 ( -9.452 3.167 12.741) 16.177 16.468 ( -4.905 -1.214 -0.087) 5.054 16.609 ( -6.155 -2.234 -2.478) 7.001 16.823 ( 6.911 9.141 6.857) 13.354 17.225 ( 1.674 -11.027 -3.500) 11.690 17.629 ( -2.326 2.598 -6.182) 7.097 ======================= Grid point 84 (41/100) ======================= q-point: (-0.14 -0.43 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 172 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.839 ( -21.414 7.522 4.243) 23.090 1.438 ( -7.968 -8.043 -5.768) 12.706 1.664 ( -1.245 2.047 -2.726) 3.630 1.803 ( -3.355 1.475 -2.519) 4.447 1.892 ( -0.027 -5.828 0.689) 5.868 1.903 ( 4.979 -4.076 -9.463) 11.443 2.072 ( 3.992 -1.372 3.258) 5.333 2.226 ( 2.741 -2.491 -5.722) 6.816 2.276 ( -0.071 6.834 2.602) 7.313 2.376 ( -7.683 -1.268 3.138) 8.395 2.504 ( 0.832 -5.853 -7.031) 9.186 2.556 ( -9.270 -2.090 0.337) 9.509 2.696 ( -4.177 -1.923 1.885) 4.970 2.850 ( -0.993 2.009 0.748) 2.362 2.990 ( -2.925 2.175 -0.453) 3.673 3.099 ( -1.256 -0.995 1.486) 2.185 3.164 ( -4.489 -1.506 -1.777) 5.057 3.342 ( 5.395 1.742 -1.726) 5.926 3.386 ( 6.722 0.435 -3.173) 7.446 3.445 ( 4.464 -1.272 3.074) 5.567 3.548 ( -1.626 -3.779 -0.760) 4.183 3.652 ( 1.165 2.503 -0.014) 2.761 3.756 ( -2.860 3.794 1.095) 4.876 3.824 ( -2.085 4.382 0.733) 4.908 3.924 ( 5.914 2.069 -2.210) 6.644 4.001 ( 2.220 3.407 -1.029) 4.195 4.103 ( -3.107 1.670 2.635) 4.403 4.138 ( -4.030 -0.567 3.810) 5.575 4.219 ( -3.811 -2.185 -0.942) 4.492 4.261 ( -4.024 -2.661 4.847) 6.839 4.393 ( -9.894 -3.143 4.128) 11.172 4.485 ( -0.879 3.751 3.562) 5.246 4.543 ( -2.569 -6.562 -1.571) 7.220 4.645 ( -0.040 1.542 -0.733) 1.708 4.698 ( 8.724 6.047 0.543) 10.629 4.905 ( 4.440 -0.696 1.380) 4.702 5.007 ( -6.085 3.609 3.485) 7.887 5.043 ( 4.831 -0.436 -2.153) 5.307 5.175 ( -0.755 -0.800 -1.375) 1.760 5.325 ( -2.383 -1.889 -3.088) 4.334 5.397 ( -2.484 -1.610 -1.527) 3.331 5.437 ( 3.599 4.820 -3.515) 6.967 5.526 ( 2.672 -1.651 -7.498) 8.129 5.696 ( 4.131 5.988 0.445) 7.288 5.766 ( 3.270 -3.141 -0.651) 4.581 5.843 ( -3.252 -0.883 2.441) 4.161 5.876 ( 3.401 -2.460 -1.312) 4.397 5.993 ( 6.636 4.377 -4.394) 9.083 6.053 ( 6.809 -0.557 -1.754) 7.053 6.107 ( -0.609 -7.096 1.183) 7.220 6.447 ( 0.558 -3.272 1.702) 3.730 6.586 ( 5.192 3.542 -1.836) 6.548 6.736 ( 4.158 7.004 2.224) 8.444 6.779 ( -8.072 -3.991 4.838) 10.222 6.866 ( -4.326 -1.124 3.358) 5.591 7.049 ( -0.623 2.559 2.694) 3.768 7.192 ( -2.171 -0.588 1.033) 2.475 7.297 ( -2.176 -1.985 2.120) 3.629 7.327 ( 3.197 -0.728 1.222) 3.499 7.422 ( 1.545 0.730 -3.763) 4.133 7.610 ( -4.461 -0.103 2.761) 5.247 7.758 ( -0.593 0.710 1.012) 1.371 7.995 ( -3.031 0.134 -1.608) 3.433 8.121 ( -0.558 2.131 0.906) 2.382 8.204 ( -0.520 -0.856 0.880) 1.334 8.228 ( -0.932 0.685 0.793) 1.403 9.540 ( 0.430 -0.717 -0.904) 1.231 9.573 ( -0.502 -0.854 0.149) 1.002 9.626 ( -1.132 0.897 -1.625) 2.175 9.730 ( -0.201 -1.451 -1.453) 2.064 9.978 ( 1.186 -0.582 0.585) 1.445 10.018 ( 0.440 -1.268 -0.056) 1.344 10.154 ( 0.666 -1.428 0.351) 1.614 10.216 ( -0.364 3.886 -2.686) 4.738 10.376 ( 0.886 -0.640 -2.308) 2.554 10.623 ( 4.126 -2.337 -3.793) 6.072 10.830 ( -0.047 0.079 1.915) 1.917 10.875 ( -2.612 -1.124 2.060) 3.511 10.947 ( 0.038 -1.153 -1.231) 1.687 11.069 ( 1.838 0.874 0.325) 2.061 11.157 ( 5.734 -2.572 0.056) 6.284 11.245 ( -2.309 4.455 -3.043) 5.868 11.590 ( 2.068 -1.010 -2.983) 3.768 11.683 ( 2.588 -0.541 -4.384) 5.120 16.001 ( -6.652 5.063 7.913) 11.511 16.462 ( -0.967 0.360 3.183) 3.346 16.547 ( -7.615 -3.087 -1.108) 8.291 16.853 ( 5.149 5.210 9.037) 11.633 17.381 ( 0.095 -11.115 0.411) 11.123 17.526 ( 1.894 3.355 -6.887) 7.892 ======================= Grid point 90 (42/100) ======================= q-point: (-0.29 -0.29 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.093 ( -19.842 -0.000 -9.441) 21.974 1.260 ( -19.393 -0.000 -12.633) 23.145 1.562 ( 4.734 0.000 3.314) 5.779 1.762 ( 2.416 0.000 2.012) 3.144 1.925 ( 0.246 0.000 -15.447) 15.449 1.975 ( -7.250 -0.000 -5.663) 9.199 1.983 ( -1.877 -0.000 10.757) 10.920 2.184 ( 1.160 0.000 -10.183) 10.249 2.303 ( -9.239 -0.000 -4.811) 10.416 2.322 ( 1.052 0.000 2.817) 3.007 2.450 ( -5.109 -0.000 -2.373) 5.633 2.507 ( 3.597 0.000 -3.806) 5.237 2.802 ( -6.009 -0.000 3.031) 6.730 2.916 ( -5.712 -0.000 0.632) 5.747 2.986 ( -0.352 -0.000 -0.441) 0.564 3.048 ( -4.823 -0.000 10.437) 11.498 3.078 ( 1.615 0.000 0.835) 1.818 3.376 ( 6.764 0.000 -5.427) 8.672 3.404 ( 0.704 0.000 3.348) 3.422 3.412 ( 1.688 0.000 -0.796) 1.866 3.505 ( 1.462 0.000 3.229) 3.544 3.799 ( -3.204 -0.000 0.966) 3.347 3.860 ( 1.421 0.000 -7.372) 7.508 3.909 ( 1.295 0.000 -7.929) 8.034 3.913 ( 7.097 0.000 0.175) 7.099 3.994 ( 7.042 0.000 -0.760) 7.083 4.039 ( -11.292 -0.000 1.337) 11.371 4.119 ( -0.014 -0.000 5.737) 5.737 4.162 ( -8.382 -0.000 4.112) 9.336 4.301 ( -6.643 -0.000 4.376) 7.955 4.341 ( -3.506 -0.000 -1.866) 3.972 4.389 ( -0.699 -0.000 1.107) 1.309 4.611 ( 3.072 0.000 0.977) 3.223 4.709 ( -0.207 -0.000 0.302) 0.366 4.800 ( 6.171 0.000 -0.838) 6.227 4.881 ( 3.140 0.000 5.321) 6.178 4.970 ( 6.732 0.000 -1.029) 6.810 5.122 ( -5.383 -0.000 4.022) 6.720 5.138 ( -6.650 -0.000 1.101) 6.741 5.315 ( -5.370 -0.000 -1.852) 5.681 5.355 ( -2.313 -0.000 -4.104) 4.711 5.473 ( 2.324 0.000 -10.599) 10.851 5.617 ( -3.624 -0.000 -4.254) 5.588 5.661 ( 11.936 0.000 1.882) 12.083 5.696 ( 7.417 0.000 -1.679) 7.605 5.821 ( 3.957 0.000 -0.818) 4.041 5.927 ( -6.904 -0.000 3.065) 7.554 5.934 ( 1.902 0.000 2.904) 3.471 6.082 ( 5.765 0.000 1.198) 5.888 6.132 ( 14.056 0.000 -8.268) 16.308 6.334 ( -4.668 -0.000 3.918) 6.095 6.595 ( 3.650 0.000 0.736) 3.723 6.745 ( 0.991 0.000 6.360) 6.437 6.831 ( -7.057 -0.000 7.884) 10.580 6.887 ( 3.593 0.000 -0.133) 3.596 7.083 ( -1.559 -0.000 1.978) 2.519 7.168 ( 1.343 0.000 1.575) 2.069 7.272 ( -4.895 -0.000 1.893) 5.248 7.283 ( 4.070 0.000 -1.652) 4.392 7.425 ( -0.713 -0.000 -5.686) 5.730 7.629 ( -5.583 -0.000 5.320) 7.712 7.767 ( -1.086 -0.000 0.938) 1.435 8.005 ( -4.621 -0.000 -2.080) 5.067 8.144 ( -0.142 -0.000 0.025) 0.144 8.204 ( -2.582 -0.000 1.600) 3.037 8.226 ( -0.558 -0.000 2.469) 2.531 9.545 ( 0.349 0.000 0.233) 0.420 9.548 ( -0.072 -0.000 -1.486) 1.488 9.652 ( -1.778 -0.000 -0.788) 1.945 9.696 ( -1.544 -0.000 -3.896) 4.191 9.980 ( 0.672 0.000 -1.366) 1.522 9.982 ( -0.208 -0.000 1.784) 1.796 10.140 ( 1.976 0.000 -0.216) 1.988 10.271 ( -0.997 -0.000 -0.723) 1.231 10.398 ( 7.602 0.000 -9.250) 11.973 10.563 ( 3.265 0.000 -2.319) 4.004 10.819 ( -0.575 -0.000 2.376) 2.444 10.863 ( 1.167 0.000 0.247) 1.193 10.930 ( -2.346 -0.000 2.544) 3.460 11.093 ( 2.569 0.000 -0.630) 2.645 11.098 ( 4.100 0.000 -0.045) 4.100 11.390 ( -0.703 -0.000 -0.128) 0.715 11.514 ( 2.789 0.000 -6.712) 7.268 11.672 ( 2.501 0.000 -4.498) 5.146 16.146 ( -8.468 -0.000 23.400) 24.885 16.364 ( -7.470 -0.000 -2.545) 7.891 16.527 ( -3.562 -0.000 -1.803) 3.993 17.046 ( 4.491 0.000 9.552) 10.555 17.098 ( 1.014 0.000 -3.591) 3.731 17.568 ( -1.136 -0.000 -7.731) 7.814 ======================= Grid point 91 (43/100) ======================= q-point: (-0.14 -0.29 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 172 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.707 ( -23.724 6.543 3.723) 24.890 1.051 ( -22.006 -13.234 -7.022) 26.622 1.670 ( -24.662 -12.681 6.283) 28.434 1.686 ( 4.151 4.047 -7.203) 9.246 1.798 ( -9.185 0.919 -3.557) 9.892 1.834 ( 1.540 -0.590 -4.053) 4.375 2.068 ( -1.139 0.491 1.636) 2.053 2.162 ( 2.762 -3.706 -0.209) 4.626 2.244 ( -0.008 -3.874 -6.385) 7.469 2.356 ( 0.399 4.849 -3.322) 5.891 2.399 ( 2.829 -3.816 0.348) 4.763 2.553 ( 5.074 -1.175 -0.401) 5.224 2.698 ( -3.681 2.972 1.435) 4.944 2.866 ( -3.071 2.111 -2.290) 4.373 2.977 ( -2.139 0.754 1.945) 2.987 3.064 ( -3.250 0.107 1.241) 3.480 3.142 ( 0.465 -2.463 4.391) 5.056 3.381 ( 0.151 -1.004 0.024) 1.016 3.402 ( 2.577 1.578 -2.598) 3.985 3.494 ( 6.000 -2.621 2.121) 6.882 3.559 ( 3.753 0.915 3.534) 5.236 3.703 ( -3.436 5.128 -6.320) 8.834 3.740 ( -3.877 2.315 0.708) 4.571 3.882 ( -3.690 2.613 -0.586) 4.559 3.925 ( 1.494 -0.083 -0.769) 1.682 4.017 ( 2.042 -1.786 -3.584) 4.495 4.058 ( -2.014 -3.940 0.906) 4.517 4.142 ( -3.310 -0.305 3.614) 4.910 4.191 ( -1.238 -4.979 1.220) 5.273 4.245 ( -3.287 4.465 3.877) 6.765 4.275 ( -5.766 -0.581 2.354) 6.255 4.464 ( 3.238 -4.099 2.648) 5.856 4.601 ( 1.416 6.484 3.576) 7.539 4.679 ( 0.355 4.278 -1.367) 4.505 4.832 ( 5.826 2.359 -3.336) 7.115 4.943 ( 3.609 -2.281 -4.400) 6.131 5.017 ( -3.534 2.735 5.161) 6.827 5.087 ( 5.272 -0.450 -0.421) 5.308 5.137 ( -0.426 -1.978 1.709) 2.648 5.251 ( -2.561 1.951 -4.096) 5.210 5.320 ( -2.874 -1.895 -0.662) 3.505 5.437 ( 0.467 -4.195 -8.141) 9.170 5.514 ( -1.728 3.618 -3.317) 5.204 5.745 ( -1.809 -0.016 2.405) 3.009 5.805 ( -0.291 -1.391 3.123) 3.432 5.846 ( 6.345 2.968 0.659) 7.036 5.885 ( 6.423 -1.154 -2.028) 6.834 6.009 ( 2.032 -1.298 -0.401) 2.444 6.128 ( 4.492 1.626 0.514) 4.805 6.191 ( 12.673 4.093 -3.908) 13.879 6.376 ( -2.101 -7.944 4.858) 9.546 6.647 ( 4.301 0.803 -2.712) 5.148 6.747 ( -4.932 3.661 2.705) 6.711 6.817 ( -4.155 -1.859 2.711) 5.298 6.914 ( 4.855 6.255 4.834) 9.277 7.070 ( -1.770 0.643 1.597) 2.469 7.167 ( -2.905 0.275 1.059) 3.105 7.244 ( -4.847 -1.701 2.028) 5.523 7.359 ( 5.539 -3.351 1.248) 6.593 7.386 ( -0.113 -1.738 -4.785) 5.092 7.615 ( -2.852 1.280 4.759) 5.694 7.750 ( -3.071 -0.010 0.919) 3.205 7.936 ( -4.324 -0.445 -2.228) 4.884 8.139 ( -0.426 0.624 0.662) 1.004 8.184 ( -2.698 -0.314 0.818) 2.837 8.232 ( -1.340 0.251 1.283) 1.872 9.535 ( 0.774 0.248 -0.974) 1.269 9.562 ( 0.057 -0.970 0.802) 1.260 9.618 ( -1.121 1.147 -0.568) 1.702 9.687 ( -0.137 -3.292 -1.205) 3.509 9.980 ( 0.280 -0.441 -0.779) 0.938 10.005 ( -0.041 -1.123 2.085) 2.369 10.156 ( 1.391 -0.205 -1.089) 1.778 10.232 ( -0.433 2.914 -3.805) 4.812 10.346 ( 0.809 1.484 -10.789) 10.920 10.611 ( 4.640 -2.413 -2.978) 6.018 10.837 ( -1.518 -1.480 2.719) 3.448 10.868 ( 0.283 1.506 0.717) 1.691 10.930 ( -0.963 -0.766 0.448) 1.309 11.104 ( 2.165 1.287 0.009) 2.519 11.172 ( 4.441 -3.382 -0.200) 5.585 11.284 ( -2.546 9.232 -2.517) 9.902 11.551 ( 2.969 -4.979 -4.547) 7.367 11.656 ( 1.080 -0.771 -5.575) 5.731 16.102 ( -6.969 10.796 9.614) 16.048 16.415 ( -4.007 -6.663 3.004) 8.335 16.505 ( -0.316 -0.419 10.733) 10.746 17.043 ( 3.351 4.544 7.508) 9.394 17.242 ( -0.750 -9.477 2.161) 9.749 17.510 ( 2.387 -1.024 -6.518) 7.016 ======================= Grid point 98 (44/100) ======================= q-point: (-0.14 -0.14 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.561 ( -21.943 -0.000 8.458) 23.517 0.629 ( -26.490 -0.000 5.305) 27.016 1.214 ( -47.532 -0.000 17.705) 50.722 1.644 ( -9.807 -0.000 -2.278) 10.069 1.726 ( -1.425 -0.000 -5.851) 6.022 1.837 ( 8.991 0.000 -1.216) 9.072 2.091 ( 4.091 0.000 -7.713) 8.731 2.201 ( 4.873 0.000 -5.309) 7.207 2.231 ( 1.752 0.000 10.125) 10.276 2.401 ( 2.404 0.000 0.817) 2.539 2.417 ( 6.488 0.000 -2.654) 7.009 2.582 ( 2.924 0.000 -3.654) 4.680 2.649 ( -4.945 -0.000 -3.186) 5.882 2.766 ( -5.272 -0.000 1.061) 5.377 3.020 ( -0.484 -0.000 0.857) 0.985 3.103 ( 0.783 0.000 2.407) 2.532 3.129 ( -1.629 -0.000 4.563) 4.845 3.373 ( -0.280 -0.000 -0.429) 0.512 3.431 ( 0.343 0.000 1.537) 1.575 3.549 ( 6.407 0.000 1.101) 6.501 3.582 ( -8.520 -0.000 -4.712) 9.736 3.649 ( 5.440 0.000 1.808) 5.732 3.768 ( -4.039 -0.000 0.072) 4.040 3.820 ( 3.473 0.000 -1.360) 3.729 3.948 ( -6.231 -0.000 -2.780) 6.823 3.959 ( -5.542 -0.000 3.218) 6.408 4.029 ( 1.222 0.000 -2.065) 2.399 4.053 ( -5.152 -0.000 0.772) 5.210 4.224 ( 1.800 0.000 2.930) 3.438 4.225 ( -5.828 -0.000 5.197) 7.809 4.305 ( 3.422 0.000 -0.920) 3.543 4.517 ( 3.939 0.000 3.740) 5.432 4.694 ( 4.988 0.000 -1.727) 5.279 4.734 ( 2.204 0.000 0.458) 2.251 4.843 ( -0.762 -0.000 -12.365) 12.388 4.868 ( 0.337 0.000 -0.287) 0.443 5.061 ( -0.397 -0.000 2.325) 2.359 5.111 ( 1.675 0.000 0.210) 1.688 5.152 ( 2.241 0.000 3.319) 4.004 5.260 ( 0.746 0.000 1.651) 1.812 5.316 ( 0.246 0.000 -8.519) 8.522 5.339 ( 1.920 0.000 2.214) 2.931 5.453 ( -5.352 -0.000 -2.617) 5.958 5.719 ( -8.513 -0.000 5.615) 10.198 5.824 ( 0.712 0.000 -0.441) 0.837 5.919 ( 5.421 0.000 1.039) 5.520 5.962 ( 9.598 0.000 -1.538) 9.721 6.073 ( 8.385 0.000 -4.484) 9.509 6.174 ( 0.918 0.000 2.217) 2.399 6.323 ( 12.528 0.000 -4.703) 13.382 6.364 ( 0.377 0.000 11.939) 11.945 6.647 ( -2.972 -0.000 -2.987) 4.214 6.745 ( 0.694 0.000 -5.960) 6.000 6.786 ( -0.624 -0.000 0.175) 0.648 7.014 ( -2.567 -0.000 2.188) 3.373 7.100 ( 2.994 0.000 5.057) 5.877 7.153 ( -2.989 -0.000 2.525) 3.913 7.195 ( -4.320 -0.000 2.573) 5.028 7.328 ( 0.130 0.000 -5.167) 5.169 7.414 ( 5.955 0.000 3.762) 7.043 7.628 ( -3.180 -0.000 3.928) 5.054 7.711 ( -4.759 -0.000 0.707) 4.811 7.869 ( -3.308 -0.000 -1.303) 3.555 8.144 ( 0.293 0.000 0.248) 0.384 8.154 ( -3.791 -0.000 1.348) 4.023 8.222 ( -2.032 -0.000 0.712) 2.153 9.545 ( 0.696 0.000 -0.400) 0.803 9.569 ( 1.254 0.000 4.199) 4.382 9.622 ( -1.487 -0.000 1.636) 2.211 9.637 ( 0.167 0.000 -1.502) 1.511 9.976 ( 0.226 0.000 -0.244) 0.332 10.019 ( 0.511 0.000 2.765) 2.811 10.158 ( 0.954 0.000 -1.279) 1.595 10.169 ( -3.688 -0.000 -21.799) 22.109 10.253 ( -2.509 -0.000 -3.487) 4.296 10.631 ( 4.855 0.000 -0.925) 4.942 10.825 ( -2.452 -0.000 2.731) 3.670 10.903 ( 1.684 0.000 0.228) 1.699 10.906 ( -2.500 -0.000 0.939) 2.670 11.151 ( 2.510 0.000 -0.362) 2.536 11.175 ( 2.705 0.000 -0.096) 2.706 11.367 ( -0.733 -0.000 -0.363) 0.818 11.446 ( 1.968 0.000 -10.345) 10.530 11.600 ( -1.705 -0.000 -5.155) 5.430 16.175 ( -4.561 -0.000 -2.269) 5.094 16.380 ( 0.020 0.000 4.163) 4.163 16.700 ( 8.507 0.000 26.895) 28.208 17.094 ( 1.813 0.000 -2.574) 3.148 17.240 ( -2.113 -0.000 13.505) 13.670 17.467 ( 2.183 0.000 -4.752) 5.230 ======================= Grid point 99 (45/100) ======================= q-point: ( 0.00 0.00 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.981 ( 1.776 0.000 19.393) 19.474 1.349 ( 3.975 0.000 28.195) 28.474 1.601 ( 3.217 0.000 1.373) 3.498 1.783 ( 0.114 0.000 10.336) 10.336 1.839 ( -9.194 -0.000 16.460) 18.854 1.882 ( 12.423 0.000 -0.077) 12.423 2.051 ( 6.933 0.000 -5.500) 8.850 2.095 ( -4.870 -0.000 0.790) 4.933 2.246 ( -9.062 -0.000 1.510) 9.187 2.471 ( -2.569 -0.000 1.734) 3.100 2.519 ( 2.398 0.000 1.201) 2.682 2.595 ( 3.948 0.000 9.131) 9.948 2.650 ( -0.073 -0.000 -2.261) 2.262 2.885 ( 4.625 0.000 3.631) 5.880 3.028 ( -0.041 -0.000 3.885) 3.885 3.094 ( -13.260 -0.000 2.325) 13.463 3.176 ( -5.355 -0.000 -1.098) 5.466 3.325 ( 4.793 0.000 -2.868) 5.586 3.400 ( -2.045 -0.000 -5.911) 6.255 3.437 ( 5.455 0.000 -1.793) 5.742 3.573 ( -5.359 -0.000 -7.368) 9.111 3.596 ( 3.506 0.000 -2.075) 4.074 3.756 ( 4.707 0.000 -3.253) 5.721 3.810 ( -8.393 -0.000 8.483) 11.934 3.821 ( 4.710 0.000 -4.528) 6.533 3.882 ( 4.072 0.000 -2.115) 4.589 3.998 ( -5.136 -0.000 -3.222) 6.063 4.013 ( 7.956 0.000 -2.530) 8.349 4.322 ( -2.599 -0.000 -4.798) 5.457 4.349 ( -0.279 -0.000 2.767) 2.781 4.420 ( -7.191 -0.000 8.897) 11.439 4.490 ( -2.736 -0.000 5.094) 5.782 4.609 ( 10.164 0.000 -10.319) 14.484 4.724 ( 5.148 0.000 3.646) 6.308 4.767 ( 2.972 0.000 -3.484) 4.579 4.958 ( -1.450 -0.000 -5.261) 5.458 5.030 ( -1.822 -0.000 7.044) 7.276 5.135 ( 1.918 0.000 0.801) 2.078 5.279 ( -9.887 -0.000 9.682) 13.838 5.336 ( 1.067 0.000 5.905) 6.001 5.402 ( -3.907 -0.000 1.665) 4.247 5.548 ( 2.619 0.000 2.985) 3.971 5.593 ( 5.399 0.000 4.892) 7.286 5.716 ( -7.979 -0.000 6.945) 10.578 5.721 ( 2.959 0.000 -2.793) 4.069 5.826 ( 2.433 0.000 -11.304) 11.563 5.952 ( 1.251 0.000 -7.120) 7.229 5.977 ( 0.411 0.000 -3.196) 3.222 6.094 ( 6.806 0.000 -7.919) 10.442 6.185 ( 1.556 0.000 -13.138) 13.230 6.199 ( -12.835 -0.000 3.407) 13.280 6.554 ( -7.759 -0.000 6.516) 10.132 6.555 ( 10.669 0.000 -6.497) 12.492 6.789 ( -10.538 -0.000 -2.943) 10.942 6.796 ( 8.211 0.000 -1.061) 8.280 7.140 ( 0.753 0.000 -3.970) 4.040 7.171 ( -3.024 -0.000 2.959) 4.231 7.171 ( -2.690 -0.000 -0.099) 2.692 7.436 ( 6.402 0.000 2.246) 6.785 7.442 ( -2.390 -0.000 -1.936) 3.076 7.595 ( -4.585 -0.000 1.298) 4.765 7.677 ( 1.160 0.000 0.974) 1.515 7.932 ( 1.883 0.000 3.371) 3.861 8.117 ( -3.036 -0.000 0.411) 3.063 8.125 ( -1.102 -0.000 -1.291) 1.698 8.184 ( 0.510 0.000 -1.510) 1.594 9.585 ( 1.896 0.000 1.612) 2.489 9.651 ( -4.887 -0.000 -0.518) 4.915 9.669 ( -2.337 -0.000 1.762) 2.927 9.679 ( 3.159 0.000 1.221) 3.386 9.983 ( -0.572 -0.000 1.135) 1.271 10.019 ( -0.436 -0.000 1.797) 1.849 10.123 ( 1.936 0.000 -2.024) 2.801 10.159 ( 2.385 0.000 -2.573) 3.509 10.708 ( -2.181 -0.000 1.486) 2.639 10.777 ( 28.481 0.000 0.072) 28.481 10.826 ( -3.752 -0.000 1.187) 3.935 10.887 ( -0.384 -0.000 1.159) 1.221 10.935 ( 0.698 0.000 0.226) 0.734 11.094 ( 0.070 0.000 -4.978) 4.978 11.176 ( -6.374 -0.000 0.241) 6.378 11.198 ( 0.636 0.000 -0.252) 0.684 11.364 ( 0.485 0.000 0.335) 0.590 11.491 ( 2.217 0.000 -3.173) 3.871 16.113 ( -23.063 -0.000 0.624) 23.071 16.136 ( 3.649 0.000 0.113) 3.651 16.556 ( 1.384 0.000 5.433) 5.606 16.966 ( 5.018 0.000 -5.645) 7.553 17.348 ( -14.919 -0.000 5.732) 15.982 17.537 ( 7.600 0.000 -0.126) 7.601 ======================= Grid point 100 (46/100) ======================= q-point: ( 0.14 0.00 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 172 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.236 ( 13.823 0.552 16.662) 21.656 1.550 ( 4.080 8.179 24.625) 26.267 1.611 ( 2.185 6.337 -0.507) 6.722 1.732 ( 3.697 1.489 -1.672) 4.323 1.877 ( 1.215 9.244 -2.853) 9.751 1.997 ( 2.860 -0.796 -0.582) 3.025 2.112 ( 1.496 -5.643 4.018) 7.087 2.142 ( -2.785 -12.255 8.805) 15.345 2.282 ( -1.112 -7.183 3.274) 7.972 2.431 ( -1.159 3.853 -1.651) 4.349 2.570 ( 1.032 -6.569 -1.931) 6.924 2.660 ( 1.895 -1.953 0.267) 2.734 2.703 ( 1.634 2.789 11.023) 11.487 2.836 ( -6.251 8.884 0.536) 10.876 3.055 ( -3.428 -6.875 1.278) 7.788 3.090 ( -4.149 -2.264 7.653) 8.995 3.127 ( 0.437 -3.636 -2.254) 4.300 3.300 ( 0.128 6.758 -3.054) 7.417 3.340 ( -1.582 -0.751 -1.291) 2.176 3.446 ( 2.303 3.530 -3.342) 5.379 3.508 ( 0.560 -0.135 -2.376) 2.445 3.581 ( 3.975 1.833 -2.559) 5.070 3.685 ( -1.006 8.452 0.431) 8.522 3.802 ( -1.447 -4.479 -1.294) 4.881 3.876 ( 6.227 -3.043 -6.460) 9.475 3.960 ( 3.189 -3.485 -2.134) 5.184 3.982 ( -1.728 -5.301 -3.694) 6.689 4.106 ( 4.556 -4.001 -0.784) 6.114 4.264 ( -2.577 -2.544 -1.694) 3.998 4.346 ( -3.168 -1.436 3.157) 4.697 4.373 ( -3.566 6.711 7.163) 10.443 4.556 ( -1.842 1.040 5.789) 6.163 4.611 ( 3.994 -0.512 -5.272) 6.634 4.740 ( 3.454 3.492 -1.797) 5.230 4.818 ( 4.719 -2.153 -1.947) 5.541 4.919 ( -0.349 -1.702 -4.947) 5.244 5.003 ( -4.319 5.855 9.389) 11.878 5.139 ( -3.239 2.808 -0.450) 4.310 5.244 ( -4.060 1.027 5.033) 6.548 5.330 ( -7.186 -0.886 3.207) 7.919 5.390 ( -1.212 -0.222 2.940) 3.188 5.570 ( 0.429 2.900 1.636) 3.357 5.627 ( -4.216 6.847 0.847) 8.086 5.653 ( 3.006 -0.214 -0.259) 3.025 5.725 ( -2.561 2.513 1.849) 4.037 5.773 ( 4.798 3.582 -2.378) 6.443 5.914 ( 2.323 3.248 -6.388) 7.534 5.943 ( -0.002 -3.215 -7.525) 8.183 6.049 ( 1.384 0.879 -2.591) 3.066 6.141 ( -8.084 -4.581 0.441) 9.302 6.195 ( 5.135 -7.665 -8.716) 12.692 6.546 ( 6.332 3.891 -3.949) 8.416 6.617 ( -5.281 0.211 -0.377) 5.299 6.679 ( -1.501 -4.600 5.315) 7.188 6.892 ( 5.684 -1.395 -1.886) 6.150 7.135 ( -1.431 -0.218 -0.232) 1.466 7.157 ( -0.345 -4.147 -0.608) 4.206 7.186 ( -3.190 -3.073 2.261) 4.973 7.374 ( -3.000 1.629 -1.675) 3.803 7.491 ( 2.375 2.856 0.770) 3.793 7.592 ( -0.988 -2.995 1.852) 3.658 7.705 ( 2.475 0.425 0.679) 2.602 7.986 ( 2.210 -0.682 2.440) 3.362 8.084 ( -2.211 0.874 0.343) 2.402 8.113 ( -0.230 -1.320 -1.677) 2.147 8.187 ( 0.871 -1.006 -1.030) 1.683 9.593 ( -1.751 0.918 0.729) 2.107 9.617 ( -1.367 -0.192 0.982) 1.694 9.660 ( 0.338 1.025 1.023) 1.487 9.735 ( 3.512 -0.780 0.913) 3.711 9.978 ( -1.087 0.251 1.046) 1.530 10.020 ( -0.646 0.571 1.283) 1.546 10.120 ( 1.595 0.637 -1.890) 2.554 10.176 ( 2.018 -1.373 -2.335) 3.378 10.662 ( -5.251 0.342 -0.891) 5.337 10.773 ( -3.589 5.099 1.875) 6.511 10.873 ( 1.813 2.810 1.766) 3.781 10.911 ( -3.224 -1.226 -0.435) 3.476 11.023 ( 11.042 2.172 -2.288) 11.484 11.041 ( -0.662 1.507 -0.664) 1.775 11.111 ( 5.436 1.794 -2.510) 6.250 11.217 ( 0.393 -0.297 -0.774) 0.918 11.397 ( 0.102 -3.883 -0.958) 4.000 11.512 ( 3.031 -2.644 -4.008) 5.678 15.970 ( -11.846 -3.455 5.718) 13.600 16.217 ( 4.966 -3.203 -0.324) 5.918 16.591 ( 0.889 2.366 5.667) 6.205 17.009 ( 4.920 -3.347 -6.097) 8.519 17.221 ( -13.578 0.520 5.200) 14.549 17.617 ( 6.931 0.815 0.281) 6.984 ======================= Grid point 101 (47/100) ======================= q-point: ( 0.29 0.00 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 172 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.438 ( 8.866 12.625 20.325) 25.516 1.475 ( -1.766 4.667 -5.682) 7.562 1.654 ( 4.095 5.127 3.541) 7.456 1.770 ( 2.603 3.470 3.194) 5.387 1.880 ( 10.460 -2.353 5.410) 12.009 1.995 ( -3.217 -3.029 -3.701) 5.764 2.181 ( -2.076 -4.582 -2.410) 5.578 2.222 ( -3.385 2.912 -4.176) 6.114 2.354 ( 0.130 -3.139 -1.619) 3.534 2.400 ( -0.724 -2.030 3.722) 4.301 2.579 ( -2.416 13.779 5.089) 14.886 2.640 ( 1.030 -2.647 -5.039) 5.784 2.726 ( 3.212 -0.618 1.829) 3.748 2.870 ( -0.329 -6.863 7.700) 10.320 3.057 ( -2.213 -1.646 -0.868) 2.891 3.095 ( -2.646 0.310 2.169) 3.435 3.168 ( -2.031 1.590 -5.568) 6.137 3.267 ( 3.102 3.054 1.926) 4.760 3.329 ( 0.652 -3.840 4.653) 6.068 3.442 ( 0.025 1.658 1.367) 2.149 3.466 ( 0.046 -3.403 -0.504) 3.441 3.587 ( -0.177 1.082 -1.115) 1.564 3.663 ( 12.309 4.033 -0.947) 12.988 3.833 ( -1.465 -5.210 -2.335) 5.894 3.870 ( -4.007 3.451 -2.141) 5.705 3.967 ( 1.025 -5.954 -4.866) 7.757 4.058 ( 1.774 -4.441 -2.397) 5.350 4.133 ( -3.639 2.719 2.638) 5.253 4.285 ( -0.130 -1.413 0.012) 1.419 4.348 ( 2.625 -1.676 2.048) 3.728 4.408 ( 1.581 -4.209 3.539) 5.722 4.456 ( -5.115 8.032 1.579) 9.652 4.630 ( 0.341 1.443 -1.216) 1.918 4.737 ( 0.361 -0.081 3.250) 3.271 4.831 ( -6.262 -1.156 -1.957) 6.662 4.914 ( 1.588 -2.175 -1.653) 3.161 4.953 ( -5.017 4.486 5.380) 8.616 5.059 ( 0.026 2.601 3.311) 4.210 5.259 ( 0.945 1.153 -5.013) 5.230 5.288 ( 3.480 1.483 -1.349) 4.016 5.356 ( -3.466 3.224 0.871) 4.813 5.483 ( -4.266 5.108 0.773) 6.700 5.555 ( -1.963 1.583 1.486) 2.927 5.628 ( -2.456 6.037 -3.255) 7.286 5.682 ( 0.579 0.037 -1.419) 1.533 5.748 ( 0.814 -0.069 -2.185) 2.332 5.862 ( 3.258 1.361 -1.505) 3.838 5.972 ( 2.395 -3.124 -3.156) 5.045 6.052 ( -2.601 -0.151 0.280) 2.620 6.160 ( 0.801 -7.426 -3.950) 8.449 6.311 ( 4.535 -9.831 -4.581) 11.756 6.506 ( -0.504 1.795 -2.161) 2.854 6.537 ( 3.585 7.927 -0.794) 8.736 6.836 ( -0.980 -8.556 7.597) 11.484 6.910 ( 1.508 1.286 -1.938) 2.772 7.124 ( -4.503 -0.064 3.192) 5.520 7.206 ( -2.309 -4.154 0.633) 4.794 7.228 ( -0.417 -3.568 1.528) 3.904 7.321 ( -2.976 -1.970 -1.336) 3.811 7.478 ( 3.751 4.329 0.907) 5.799 7.631 ( -0.515 -1.300 1.216) 1.853 7.733 ( 2.712 -0.088 0.371) 2.739 8.027 ( 0.290 -0.322 1.375) 1.442 8.052 ( -0.369 0.926 -0.140) 1.007 8.134 ( 0.739 -2.765 -1.234) 3.117 8.208 ( 0.810 -1.266 -0.272) 1.527 9.568 ( -2.018 -0.360 -0.070) 2.051 9.612 ( -0.841 0.492 0.896) 1.324 9.652 ( 1.670 3.162 0.164) 3.580 9.781 ( 3.598 1.069 1.108) 3.914 9.979 ( 0.145 -0.560 0.593) 0.828 10.024 ( 0.116 0.241 1.860) 1.879 10.109 ( -0.166 -0.069 -2.122) 2.130 10.189 ( 0.868 -0.810 -2.601) 2.859 10.592 ( -2.821 1.371 -1.556) 3.501 10.639 ( -6.167 7.252 0.223) 9.522 10.853 ( -4.221 -0.810 -0.265) 4.306 10.894 ( -2.986 -1.359 2.222) 3.963 11.024 ( 2.375 4.097 -0.659) 4.781 11.038 ( 0.276 -1.037 0.488) 1.179 11.177 ( 11.012 2.075 -4.009) 11.901 11.202 ( 1.035 2.156 -0.581) 2.461 11.444 ( 0.825 -4.310 -2.250) 4.932 11.547 ( 3.355 -2.510 -4.760) 6.341 15.971 ( -5.671 -3.127 5.166) 8.284 16.321 ( 6.197 -2.834 0.852) 6.867 16.620 ( -1.830 -0.431 4.602) 4.972 16.999 ( -2.181 1.866 0.150) 2.874 17.185 ( -2.729 -5.951 -1.398) 6.694 17.660 ( 5.766 4.077 0.755) 7.102 ======================= Grid point 102 (48/100) ======================= q-point: (-0.57 0.00 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 172 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.367 ( -0.700 1.913 -6.294) 6.616 1.443 ( 0.631 17.101 17.849) 24.727 1.630 ( 1.751 0.418 -3.485) 3.923 1.762 ( -0.600 9.446 -2.638) 9.826 1.861 ( -8.087 4.801 -1.039) 9.462 2.059 ( 4.393 -1.131 -1.222) 4.697 2.123 ( -1.780 -0.480 -4.693) 5.042 2.167 ( 0.285 -0.595 0.365) 0.754 2.291 ( -6.639 -4.376 -8.010) 11.287 2.462 ( -0.200 -0.335 5.947) 5.960 2.518 ( 5.108 7.155 9.352) 12.835 2.650 ( 4.216 1.208 -4.266) 6.118 2.759 ( -0.086 0.193 2.730) 2.738 2.921 ( -4.268 1.794 2.965) 5.498 3.042 ( -5.084 3.648 -0.507) 6.278 3.063 ( -1.038 -2.165 -4.094) 4.746 3.147 ( 6.043 0.303 3.632) 7.057 3.262 ( 1.655 0.214 0.239) 1.685 3.355 ( -3.275 -0.217 0.491) 3.318 3.461 ( 4.333 1.278 1.375) 4.722 3.549 ( 3.170 4.392 -2.578) 5.999 3.612 ( -2.000 -6.537 5.143) 8.554 3.740 ( 3.065 -4.097 1.243) 5.265 3.815 ( 6.395 0.361 0.929) 6.473 3.895 ( 1.967 -4.556 -2.095) 5.386 3.969 ( -3.267 0.898 -2.750) 4.364 4.003 ( -10.722 0.648 0.846) 10.775 4.116 ( 2.941 -2.557 -1.212) 4.082 4.289 ( -3.763 7.313 0.334) 8.232 4.378 ( 3.609 -4.186 1.450) 5.714 4.404 ( -1.175 -1.308 1.428) 2.265 4.523 ( 0.293 -3.879 3.173) 5.020 4.600 ( 2.669 1.087 -0.439) 2.915 4.744 ( -5.588 0.309 -1.234) 5.731 4.767 ( -3.613 0.055 6.262) 7.230 4.867 ( 0.062 4.062 -2.303) 4.670 4.966 ( -1.242 -1.444 2.911) 3.478 5.098 ( -0.095 -2.437 4.897) 5.471 5.172 ( 0.950 4.772 -2.324) 5.392 5.225 ( -2.606 7.919 -4.441) 9.446 5.346 ( 6.329 -2.190 -5.537) 8.690 5.419 ( -1.305 -0.001 -0.939) 1.608 5.471 ( -4.466 4.601 -2.318) 6.818 5.574 ( -2.668 -2.090 2.694) 4.329 5.701 ( 7.541 -2.177 -4.709) 9.153 5.738 ( 1.591 -1.096 -4.997) 5.357 5.898 ( 0.081 -0.539 1.765) 1.847 5.978 ( -0.086 1.396 -1.869) 2.335 6.031 ( -0.065 -0.698 -0.196) 0.728 6.232 ( 3.973 -5.428 -7.582) 10.135 6.419 ( -2.009 4.029 -0.012) 4.502 6.476 ( 4.263 -9.451 -0.871) 10.405 6.535 ( 3.515 1.150 1.623) 4.039 6.854 ( 1.471 4.108 -2.709) 5.136 6.966 ( -3.709 -3.611 4.366) 6.772 7.097 ( -6.770 -1.780 6.004) 9.222 7.208 ( -4.189 -0.908 2.231) 4.831 7.280 ( 0.407 -3.886 -0.661) 3.963 7.342 ( -1.051 -2.590 1.070) 2.993 7.475 ( 4.581 4.478 0.924) 6.472 7.643 ( -0.140 -0.825 0.072) 0.840 7.772 ( 1.580 -0.453 1.989) 2.580 7.997 ( -2.048 1.791 -0.310) 2.738 8.084 ( 1.405 -1.907 1.356) 2.730 8.163 ( 0.221 -2.060 -1.512) 2.565 8.226 ( 0.012 -0.612 0.120) 0.624 9.559 ( -1.028 -0.550 0.217) 1.186 9.597 ( -0.199 1.234 -0.971) 1.583 9.625 ( 1.463 3.097 0.662) 3.489 9.806 ( 3.025 2.594 2.352) 4.627 10.001 ( 1.321 -0.162 -0.084) 1.333 10.029 ( -0.244 -0.118 -1.117) 1.149 10.096 ( -1.059 -0.904 0.349) 1.436 10.170 ( -0.362 0.344 -3.374) 3.411 10.470 ( -7.197 6.476 -0.141) 9.683 10.561 ( 1.842 0.131 -2.937) 3.470 10.821 ( -3.761 -2.419 -0.927) 4.567 10.901 ( -4.075 -1.920 3.161) 5.503 10.989 ( 1.982 4.037 -0.453) 4.520 11.056 ( -0.221 -0.762 0.537) 0.958 11.171 ( -0.168 1.327 -1.208) 1.802 11.226 ( 8.207 3.207 -2.591) 9.184 11.486 ( 1.969 -3.049 -3.159) 4.812 11.572 ( 2.888 -1.577 -4.571) 5.633 15.996 ( -1.835 -1.480 4.053) 4.689 16.422 ( 2.705 -2.415 1.946) 4.115 16.594 ( -5.529 0.690 0.453) 5.590 17.031 ( -0.616 -3.535 10.511) 11.107 17.226 ( 2.518 -5.239 -8.380) 10.199 17.650 ( 4.420 7.148 1.155) 8.483 ======================= Grid point 103 (49/100) ======================= q-point: (-0.43 0.00 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 172 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.281 ( -4.388 9.082 3.437) 10.656 1.336 ( -3.011 12.250 8.070) 14.975 1.465 ( -7.054 8.987 -6.654) 13.221 1.669 ( 1.099 -1.496 -1.781) 2.573 1.729 ( -1.523 4.522 0.139) 4.773 2.015 ( -7.388 -0.052 -0.858) 7.438 2.072 ( -1.540 -1.856 -6.627) 7.052 2.225 ( 0.847 -1.054 3.754) 3.990 2.306 ( 0.349 -7.160 -4.359) 8.390 2.469 ( 3.009 4.133 1.312) 5.278 2.552 ( -5.554 13.079 9.532) 17.110 2.624 ( 4.814 1.413 2.529) 5.618 2.744 ( -7.346 5.846 4.705) 10.501 2.825 ( -3.591 -2.420 2.252) 4.881 2.959 ( -5.627 0.716 0.413) 5.687 3.041 ( 4.916 4.883 1.263) 7.044 3.210 ( -0.224 0.427 2.488) 2.534 3.283 ( 1.448 -1.341 -1.301) 2.364 3.402 ( 5.702 -6.283 -2.341) 8.802 3.463 ( 0.698 2.653 -1.128) 2.966 3.545 ( 5.803 1.313 -3.166) 6.740 3.679 ( -3.316 -3.729 4.291) 6.581 3.810 ( -2.924 3.545 0.213) 4.600 3.837 ( -0.525 0.202 -0.947) 1.102 3.869 ( 2.481 -0.579 -2.332) 3.453 3.986 ( 1.698 -4.547 1.075) 4.971 4.002 ( 0.613 -2.956 -1.062) 3.200 4.168 ( 1.913 -0.343 0.831) 2.114 4.207 ( -3.406 -2.124 2.917) 4.962 4.377 ( -4.081 3.148 2.938) 5.933 4.443 ( -0.824 0.671 -1.964) 2.233 4.511 ( -4.640 -1.399 5.112) 7.044 4.642 ( 4.758 4.601 -3.149) 7.330 4.722 ( 0.313 0.234 -0.308) 0.498 4.775 ( 1.757 -0.181 4.993) 5.296 4.831 ( 1.429 -2.830 -4.997) 5.918 4.952 ( -4.243 4.252 3.513) 6.958 5.075 ( -1.235 2.650 -2.508) 3.852 5.131 ( 3.223 2.128 -2.443) 4.570 5.194 ( -1.125 -4.809 5.291) 7.238 5.335 ( -4.318 0.454 -1.800) 4.700 5.395 ( 0.666 -0.196 -1.738) 1.871 5.463 ( 4.476 -3.120 -0.412) 5.472 5.589 ( -2.650 -3.736 -1.681) 4.879 5.769 ( 6.861 -2.942 -3.623) 8.298 5.802 ( 5.281 -5.750 -5.765) 9.705 5.877 ( -1.383 2.102 -1.287) 2.827 5.926 ( -2.885 1.210 0.750) 3.217 6.074 ( 7.806 -0.195 -2.904) 8.331 6.237 ( 2.803 3.493 -3.458) 5.658 6.404 ( 1.791 -4.476 -2.346) 5.362 6.538 ( -1.396 0.089 -1.045) 1.746 6.629 ( 1.043 -6.153 -1.901) 6.524 6.817 ( 1.411 1.627 1.715) 2.753 6.962 ( -1.679 0.867 4.168) 4.576 7.097 ( -6.012 -1.876 2.061) 6.626 7.201 ( -3.064 -0.578 3.884) 4.981 7.299 ( -1.299 -0.696 -1.010) 1.787 7.359 ( 1.302 1.945 -0.549) 2.404 7.487 ( 1.163 0.175 3.032) 3.252 7.646 ( -0.368 -0.454 -1.286) 1.412 7.798 ( -0.630 1.031 2.858) 3.103 7.947 ( -1.712 2.413 0.383) 2.983 8.133 ( 0.501 -1.866 1.253) 2.303 8.168 ( -0.359 -0.994 -1.595) 1.913 8.226 ( -1.299 -0.424 0.122) 1.372 9.546 ( -0.080 1.863 -0.405) 1.908 9.582 ( 0.220 -0.860 -0.407) 0.977 9.626 ( 2.074 1.275 1.695) 2.967 9.823 ( 2.864 3.410 3.664) 5.767 9.970 ( -1.895 0.938 -2.414) 3.209 10.028 ( -0.288 -0.209 -2.190) 2.219 10.108 ( 0.235 0.670 1.603) 1.753 10.129 ( -0.381 -0.229 -3.769) 3.795 10.325 ( -5.592 3.823 -0.170) 6.776 10.581 ( 4.007 -0.437 -1.118) 4.183 10.829 ( 0.116 -2.902 -0.858) 3.028 10.901 ( -5.416 -2.237 2.952) 6.561 10.957 ( 0.470 3.119 0.726) 3.236 11.065 ( -0.917 -1.566 0.091) 1.817 11.146 ( -0.456 0.625 -0.815) 1.123 11.237 ( 5.450 3.196 -2.800) 6.911 11.513 ( 3.090 -0.965 -3.894) 5.064 11.573 ( 1.628 0.126 -3.980) 4.302 16.034 ( 0.195 -1.263 2.704) 2.991 16.421 ( -8.204 -1.095 1.749) 8.460 16.588 ( 2.951 -1.659 1.093) 3.558 17.169 ( -1.759 -3.091 5.368) 6.439 17.253 ( 4.386 -5.189 -4.358) 8.072 17.597 ( 3.159 7.995 0.431) 8.608 ======================= Grid point 104 (50/100) ======================= q-point: (-0.29 0.00 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 172 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.066 ( -12.858 11.759 10.855) 20.529 1.161 ( -8.917 14.245 16.373) 23.463 1.448 ( 2.845 -8.075 -2.754) 8.994 1.625 ( -2.710 2.420 -0.019) 3.633 1.756 ( 5.160 -2.967 -2.668) 6.522 1.967 ( -7.992 -0.561 4.857) 9.369 2.068 ( -0.333 -7.570 -3.399) 8.305 2.130 ( -16.376 15.793 9.291) 24.575 2.255 ( -2.060 4.110 5.567) 7.220 2.427 ( 3.819 4.087 0.829) 5.655 2.476 ( 2.855 1.280 1.511) 3.475 2.676 ( 4.453 4.807 2.466) 7.001 2.774 ( 0.460 -7.749 2.649) 8.202 2.812 ( -2.875 2.698 -2.092) 4.463 2.934 ( -4.230 -1.679 8.452) 9.600 3.032 ( 3.997 6.089 2.551) 7.717 3.217 ( -0.908 -2.148 -1.470) 2.757 3.307 ( 2.804 -2.327 -3.943) 5.369 3.396 ( -2.723 2.043 0.624) 3.461 3.535 ( 1.643 0.252 -8.189) 8.356 3.545 ( 2.717 -5.359 -0.567) 6.035 3.685 ( -0.539 3.160 -0.491) 3.243 3.725 ( -2.827 -2.401 2.311) 4.370 3.842 ( 1.501 1.666 -3.683) 4.312 3.894 ( -0.116 0.572 -0.525) 0.785 3.993 ( 0.217 2.974 1.726) 3.445 4.018 ( 2.017 1.843 -3.325) 4.303 4.167 ( -2.855 0.070 2.111) 3.551 4.261 ( -1.707 0.086 2.301) 2.866 4.330 ( -5.361 -0.127 4.627) 7.083 4.401 ( 3.108 0.711 3.267) 4.564 4.553 ( -4.484 -2.259 1.529) 5.249 4.604 ( 4.596 -0.339 -4.551) 6.477 4.669 ( 0.611 6.261 -2.126) 6.641 4.789 ( -1.730 -0.940 1.909) 2.742 4.851 ( 0.191 4.559 0.771) 4.627 4.947 ( 3.402 -8.779 -4.379) 10.383 5.091 ( 1.088 -1.794 3.547) 4.121 5.140 ( 5.007 0.885 -2.535) 5.682 5.271 ( -2.553 -2.714 3.155) 4.882 5.307 ( 0.419 -0.380 5.227) 5.258 5.417 ( 0.681 -2.248 2.582) 3.491 5.509 ( -2.605 2.006 3.344) 4.689 5.641 ( 1.763 -10.154 -4.622) 11.295 5.776 ( -4.855 -0.219 -3.201) 5.819 5.848 ( -4.042 -2.451 -0.434) 4.747 5.886 ( 10.758 -1.859 -5.160) 12.076 5.938 ( 5.874 -1.532 -4.454) 7.529 6.148 ( 9.827 -0.048 -5.121) 11.081 6.188 ( 3.336 2.311 -4.381) 5.972 6.457 ( -6.160 -1.107 -2.715) 6.822 6.508 ( 3.610 -4.542 -4.635) 7.426 6.636 ( 0.135 0.775 -1.433) 1.635 6.790 ( -4.690 4.178 1.894) 6.561 7.045 ( -6.296 -0.055 1.917) 6.582 7.068 ( 6.376 -5.510 2.230) 8.717 7.205 ( -2.538 0.346 3.999) 4.749 7.273 ( -2.026 0.267 -0.602) 2.130 7.299 ( 0.340 5.956 -2.201) 6.359 7.523 ( -0.382 -0.348 1.962) 2.029 7.630 ( -1.390 -0.505 -1.029) 1.801 7.764 ( -3.715 2.645 1.211) 4.719 7.913 ( 0.103 2.600 1.592) 3.050 8.153 ( 0.913 0.354 -0.482) 1.091 8.164 ( -2.698 -1.297 0.656) 3.065 8.214 ( -1.575 -0.719 -0.750) 1.887 9.527 ( 0.228 0.537 0.186) 0.612 9.604 ( 0.573 -1.314 0.716) 1.603 9.661 ( 2.778 0.140 1.674) 3.247 9.825 ( 0.839 4.700 1.898) 5.137 9.929 ( -1.074 0.150 -0.507) 1.197 9.985 ( -1.009 0.263 -1.089) 1.507 10.103 ( 1.216 0.058 -1.905) 2.261 10.134 ( 1.859 0.499 1.791) 2.629 10.268 ( -0.848 0.772 3.053) 3.262 10.633 ( 4.983 -0.101 0.327) 4.995 10.871 ( 0.977 -1.160 0.576) 1.622 10.894 ( -4.167 -3.038 1.515) 5.374 10.928 ( -1.499 1.741 1.254) 2.617 11.083 ( -0.705 -2.594 -0.331) 2.709 11.139 ( -1.439 -2.340 -0.349) 2.769 11.221 ( 3.353 2.876 -2.993) 5.336 11.508 ( 3.895 3.133 -4.863) 6.974 11.542 ( -0.112 1.082 -2.831) 3.033 16.064 ( -0.967 -1.412 1.172) 2.074 16.396 ( -4.886 -3.577 4.608) 7.609 16.636 ( -0.694 -2.284 -3.986) 4.646 17.117 ( 1.639 5.510 -7.485) 9.438 17.376 ( -2.498 -7.133 3.851) 8.482 17.531 ( 1.706 5.933 0.220) 6.177 ======================= Grid point 105 (51/100) ======================= q-point: (-0.14 0.00 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 172 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.947 ( -13.503 6.171 19.268) 24.324 1.108 ( -6.694 1.792 27.241) 28.109 1.544 ( -0.765 -3.049 2.382) 3.944 1.660 ( 5.466 -6.079 1.000) 8.236 1.795 ( -1.139 6.444 6.523) 9.239 1.867 ( -4.387 4.387 13.201) 14.586 2.004 ( -1.640 -0.591 0.207) 1.755 2.162 ( 0.079 1.320 -0.913) 1.607 2.238 ( -1.217 -5.581 6.041) 8.314 2.462 ( 1.740 -1.102 0.307) 2.082 2.498 ( 0.734 1.837 3.531) 4.047 2.607 ( -0.155 9.646 0.175) 9.649 2.697 ( -1.489 3.447 -3.243) 4.962 2.832 ( 1.304 3.387 5.746) 6.796 3.015 ( 1.575 2.795 2.498) 4.066 3.094 ( 0.365 -9.360 5.364) 10.794 3.210 ( -4.083 -1.564 -0.196) 4.377 3.341 ( 0.634 0.156 -2.490) 2.574 3.376 ( 2.617 -3.056 -2.774) 4.887 3.458 ( -3.683 -2.252 -7.366) 8.537 3.558 ( -0.643 -2.243 -3.800) 4.459 3.668 ( 0.087 2.430 -2.199) 3.279 3.765 ( -5.062 -5.079 3.520) 7.988 3.803 ( 4.993 4.400 -4.708) 8.152 3.834 ( -0.370 2.692 -1.392) 3.053 3.928 ( 0.893 5.800 -2.656) 6.441 3.985 ( 3.370 3.065 -1.650) 4.845 4.123 ( -7.255 4.383 3.000) 8.992 4.266 ( 0.849 -2.572 3.985) 4.818 4.342 ( 0.182 -1.377 0.590) 1.509 4.480 ( -4.698 1.280 -0.011) 4.869 4.492 ( 3.128 1.888 3.729) 5.220 4.595 ( 4.129 2.146 -6.879) 8.305 4.644 ( -0.079 -3.526 0.118) 3.529 4.780 ( 1.129 3.046 -0.024) 3.248 4.913 ( 0.638 -7.828 5.566) 9.626 5.004 ( 1.202 -1.694 -6.035) 6.383 5.131 ( 1.244 0.990 0.300) 1.618 5.224 ( 5.878 -3.438 4.892) 8.385 5.280 ( -3.125 -0.556 5.134) 6.035 5.439 ( 3.695 -3.506 9.177) 10.495 5.444 ( -3.988 3.403 4.282) 6.769 5.495 ( 0.881 -2.057 3.318) 4.002 5.724 ( -4.404 -3.110 -0.687) 5.435 5.737 ( -1.261 -3.999 -1.633) 4.500 5.825 ( 0.069 -3.998 -6.087) 7.283 5.965 ( 4.433 -2.553 -5.400) 7.438 5.979 ( 9.019 1.030 -6.710) 11.289 6.118 ( 1.182 2.343 -5.713) 6.287 6.241 ( 8.262 -1.443 -10.548) 13.476 6.333 ( -12.299 -0.207 -0.698) 12.320 6.521 ( 4.783 1.878 -7.313) 8.938 6.664 ( -7.700 6.519 3.244) 10.598 6.679 ( 4.769 -4.650 -0.695) 6.697 6.949 ( -8.045 2.586 -1.226) 8.539 7.172 ( -0.891 -0.822 0.149) 1.221 7.200 ( -1.233 4.413 -1.777) 4.915 7.213 ( -0.425 1.470 -0.069) 1.532 7.300 ( 3.694 -4.948 3.792) 7.247 7.502 ( -0.380 3.134 -0.867) 3.274 7.621 ( -2.689 -1.561 0.426) 3.138 7.695 ( -3.136 2.193 0.632) 3.879 7.904 ( 0.772 1.814 2.609) 3.270 8.141 ( -2.454 -0.177 0.226) 2.471 8.150 ( -1.248 0.109 -0.319) 1.293 8.198 ( -0.621 -0.010 -1.476) 1.602 9.546 ( 1.071 -1.231 1.179) 2.013 9.635 ( 1.211 -0.904 1.106) 1.873 9.682 ( -0.678 0.210 0.752) 1.033 9.736 ( -4.853 3.333 -0.857) 5.950 9.960 ( 1.870 -0.584 1.936) 2.754 10.001 ( 0.714 -0.559 1.653) 1.885 10.109 ( 1.837 -0.970 -2.129) 2.974 10.161 ( 2.928 1.205 -1.314) 3.428 10.409 ( 18.019 -3.449 9.335) 20.584 10.687 ( 3.599 0.512 1.505) 3.934 10.861 ( -5.505 -1.173 1.915) 5.946 10.900 ( -1.819 0.997 1.121) 2.358 10.923 ( 1.589 -0.589 -0.114) 1.699 11.105 ( 0.895 -1.905 -2.295) 3.114 11.167 ( -4.470 -5.404 0.009) 7.013 11.206 ( 2.502 0.032 -1.849) 3.112 11.428 ( 0.378 6.667 -2.976) 7.311 11.510 ( 1.545 1.753 -2.871) 3.701 16.083 ( -1.456 -3.074 0.849) 3.506 16.467 ( -8.110 3.807 1.599) 9.101 16.473 ( -8.605 -2.245 -5.786) 10.610 17.005 ( 4.085 5.501 -7.099) 9.866 17.417 ( -8.699 -4.299 4.260) 10.598 17.494 ( 2.486 3.422 0.442) 4.253 ======================= Grid point 107 (52/100) ======================= q-point: ( 0.14 0.14 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.549 ( 15.290 0.000 7.085) 16.852 1.619 ( -4.315 -0.000 0.068) 4.315 1.768 ( 13.505 0.000 -4.598) 14.267 1.891 ( -6.085 -0.000 -4.250) 7.422 1.913 ( 7.648 0.000 19.361) 20.817 2.007 ( -6.307 -0.000 5.541) 8.396 2.031 ( 1.950 0.000 -9.441) 9.640 2.197 ( 11.377 0.000 0.858) 11.409 2.201 ( -5.355 -0.000 15.188) 16.105 2.470 ( 0.649 0.000 -0.155) 0.667 2.473 ( -1.822 -0.000 -3.716) 4.139 2.696 ( 4.221 0.000 2.578) 4.946 2.862 ( 1.392 0.000 8.689) 8.799 2.909 ( -2.358 -0.000 -2.985) 3.804 2.957 ( -1.511 -0.000 8.360) 8.495 3.063 ( -0.160 -0.000 -0.624) 0.645 3.084 ( -3.757 -0.000 6.878) 7.837 3.215 ( -8.748 -0.000 -5.292) 10.224 3.367 ( 3.432 0.000 -1.529) 3.757 3.452 ( 1.430 0.000 -2.302) 2.710 3.510 ( -2.014 -0.000 -7.704) 7.963 3.622 ( 2.728 0.000 8.850) 9.260 3.715 ( -0.040 -0.000 -7.100) 7.100 3.804 ( 3.803 0.000 -8.593) 9.397 3.870 ( 5.602 0.000 2.121) 5.990 3.871 ( 2.244 0.000 -5.524) 5.963 4.031 ( 8.153 0.000 -0.926) 8.206 4.099 ( 1.115 0.000 -0.465) 1.208 4.216 ( 0.040 0.000 -0.217) 0.221 4.336 ( -0.580 -0.000 3.530) 3.578 4.456 ( -2.401 -0.000 4.619) 5.206 4.588 ( -1.863 -0.000 7.734) 7.956 4.625 ( 3.447 0.000 -3.932) 5.229 4.748 ( 1.521 0.000 -4.979) 5.207 4.833 ( -4.572 -0.000 -0.149) 4.575 4.835 ( -1.601 -0.000 -4.436) 4.716 5.044 ( -8.466 -0.000 8.407) 11.932 5.125 ( -3.467 -0.000 2.954) 4.555 5.212 ( -3.244 -0.000 1.541) 3.591 5.341 ( 1.084 0.000 5.367) 5.475 5.362 ( -3.734 -0.000 -0.590) 3.780 5.560 ( -4.403 -0.000 -3.709) 5.757 5.655 ( -3.709 -0.000 4.200) 5.603 5.685 ( 1.122 0.000 -6.401) 6.498 5.697 ( 1.763 0.000 -0.144) 1.769 5.811 ( -2.188 -0.000 0.469) 2.238 5.843 ( -0.929 -0.000 -7.055) 7.116 5.922 ( 1.827 0.000 -7.280) 7.506 5.998 ( -7.366 -0.000 -1.666) 7.552 6.113 ( 1.507 0.000 -0.731) 1.675 6.122 ( 6.789 0.000 0.877) 6.845 6.544 ( -2.368 -0.000 -6.024) 6.473 6.636 ( 0.210 0.000 10.189) 10.191 6.681 ( 4.804 0.000 -1.741) 5.110 6.967 ( 8.364 0.000 -0.709) 8.394 7.115 ( 1.586 0.000 -3.590) 3.925 7.129 ( -0.508 -0.000 0.812) 0.958 7.143 ( -4.616 -0.000 3.859) 6.017 7.306 ( -6.073 -0.000 -2.019) 6.400 7.569 ( -0.480 -0.000 3.439) 3.473 7.582 ( 5.101 0.000 0.313) 5.111 7.735 ( 1.456 0.000 -0.543) 1.554 8.026 ( 2.143 0.000 1.834) 2.821 8.080 ( -0.378 -0.000 0.762) 0.850 8.088 ( 0.078 0.000 -1.846) 1.848 8.180 ( 0.464 0.000 -0.325) 0.567 9.562 ( -2.584 -0.000 -0.261) 2.597 9.619 ( -1.097 -0.000 0.880) 1.407 9.707 ( 3.384 0.000 1.921) 3.892 9.787 ( 4.466 0.000 1.398) 4.680 9.973 ( -1.585 -0.000 1.467) 2.160 10.022 ( -0.820 -0.000 0.732) 1.099 10.118 ( -0.098 -0.000 -2.406) 2.408 10.169 ( 2.042 0.000 -2.709) 3.393 10.599 ( -2.938 -0.000 -3.156) 4.312 10.774 ( -4.489 -0.000 2.115) 4.962 10.810 ( -9.037 -0.000 -2.295) 9.324 10.934 ( 1.000 0.000 1.878) 2.128 10.988 ( -3.445 -0.000 0.735) 3.522 11.108 ( -0.837 -0.000 -0.036) 0.838 11.187 ( -2.078 -0.000 0.780) 2.220 11.236 ( 17.802 0.000 -8.528) 19.739 11.384 ( 0.543 0.000 0.518) 0.750 11.491 ( 3.223 0.000 -4.481) 5.519 15.916 ( -4.487 -0.000 9.189) 10.226 16.283 ( 7.752 0.000 1.819) 7.962 16.638 ( -0.459 -0.000 1.106) 1.197 16.999 ( 5.872 0.000 -6.086) 8.457 17.111 ( -13.498 -0.000 5.370) 14.527 17.711 ( 6.597 0.000 1.854) 6.853 ======================= Grid point 108 (53/100) ======================= q-point: ( 0.29 0.14 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 172 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.452 ( -4.404 3.232 -4.892) 7.333 1.670 ( -4.145 2.410 -7.211) 8.659 1.826 ( -1.435 3.159 -1.618) 3.828 1.900 ( 9.078 -0.284 4.707) 10.230 1.960 ( 9.257 5.663 -0.400) 10.859 2.002 ( -0.840 3.669 10.576) 11.226 2.080 ( 3.022 -3.662 4.282) 6.394 2.172 ( -1.187 5.659 -3.258) 6.637 2.395 ( 2.941 1.781 2.578) 4.297 2.402 ( 0.396 0.792 -0.219) 0.912 2.543 ( 2.942 -8.222 -3.428) 9.381 2.732 ( -2.820 6.944 -0.303) 7.501 2.811 ( 3.091 0.234 5.480) 6.296 2.919 ( 2.848 1.037 4.343) 5.296 2.995 ( -3.054 0.231 3.281) 4.488 3.035 ( -3.726 1.217 -0.392) 3.939 3.141 ( 1.898 -4.461 -1.645) 5.120 3.240 ( -2.592 -8.525 3.281) 9.495 3.372 ( 1.738 2.310 2.300) 3.695 3.409 ( 0.359 -1.783 -6.828) 7.066 3.448 ( -1.819 -1.223 0.143) 2.196 3.661 ( 2.189 -0.170 -2.491) 3.321 3.716 ( 3.243 0.935 2.074) 3.961 3.791 ( 3.556 1.627 -5.901) 7.079 3.899 ( 3.093 -2.631 -3.014) 5.057 3.913 ( 2.643 1.667 2.560) 4.040 4.059 ( 2.342 3.140 1.186) 4.093 4.140 ( 1.006 -0.722 -0.217) 1.257 4.260 ( 3.295 -3.475 -1.472) 5.010 4.394 ( 1.324 -1.631 0.848) 2.266 4.420 ( 2.586 2.008 2.489) 4.113 4.534 ( -3.694 9.018 2.157) 9.981 4.641 ( -0.213 -0.099 -0.238) 0.335 4.720 ( -6.601 1.163 -1.850) 6.954 4.739 ( -3.358 -1.225 0.531) 3.614 4.853 ( 1.028 -6.490 -1.326) 6.703 4.984 ( -8.287 3.098 8.086) 11.986 5.106 ( -5.440 1.954 6.695) 8.845 5.245 ( 7.041 -2.774 -6.163) 9.760 5.287 ( -2.789 1.147 -4.583) 5.486 5.389 ( 0.589 2.625 1.560) 3.110 5.472 ( -3.753 0.408 -0.364) 3.793 5.601 ( -3.316 5.238 1.005) 6.281 5.632 ( -3.917 2.531 -2.331) 5.214 5.676 ( 0.965 2.910 -1.811) 3.561 5.753 ( 1.326 3.382 -6.141) 7.135 5.826 ( -1.120 -7.430 -5.456) 9.286 5.877 ( -1.692 -0.577 1.184) 2.144 5.973 ( -3.141 -4.933 -1.927) 6.157 6.176 ( 4.115 -3.043 2.751) 5.811 6.221 ( 3.840 -3.456 0.153) 5.168 6.476 ( -0.897 0.677 -4.588) 4.723 6.678 ( 5.198 4.620 0.331) 6.962 6.774 ( -1.251 -6.610 7.428) 10.021 6.982 ( 3.063 5.863 -0.990) 6.688 7.116 ( -4.479 1.120 3.340) 5.699 7.142 ( -0.586 -3.575 0.515) 3.660 7.186 ( 2.747 -5.051 -0.311) 5.758 7.236 ( -4.816 -1.804 -0.607) 5.179 7.584 ( 4.112 3.154 1.765) 5.474 7.641 ( 1.565 -0.071 1.569) 2.217 7.735 ( -0.278 -1.619 -1.438) 2.183 8.048 ( 0.937 1.249 0.479) 1.634 8.070 ( 0.989 0.783 -0.414) 1.327 8.109 ( 1.388 -1.624 0.554) 2.207 8.195 ( 0.166 -1.356 0.599) 1.492 9.541 ( -1.379 -0.432 -0.146) 1.453 9.613 ( -0.500 0.244 0.133) 0.572 9.731 ( 2.945 3.659 0.676) 4.745 9.851 ( 4.815 0.128 1.627) 5.084 9.969 ( -1.230 -0.479 0.889) 1.592 10.023 ( -1.173 -1.070 0.026) 1.587 10.088 ( -1.163 0.268 -1.288) 1.756 10.166 ( 1.005 -0.354 -3.525) 3.683 10.556 ( 0.763 0.123 -5.018) 5.077 10.645 ( -9.274 4.663 -0.155) 10.382 10.753 ( -5.768 -1.946 0.167) 6.090 10.906 ( -2.504 2.790 2.843) 4.705 11.013 ( -0.920 -3.342 1.087) 3.633 11.081 ( 0.359 2.594 -0.282) 2.634 11.176 ( -2.786 -1.168 0.288) 3.035 11.314 ( 10.017 2.977 -5.439) 11.780 11.406 ( 2.531 -1.950 -1.357) 3.471 11.509 ( 3.355 -2.481 -4.970) 6.490 15.981 ( 1.034 -0.166 9.040) 9.101 16.392 ( 6.956 -0.524 2.993) 7.591 16.605 ( -3.764 0.771 -1.386) 4.084 16.994 ( -2.386 0.677 0.890) 2.635 17.073 ( -1.028 -5.355 -2.219) 5.887 17.776 ( 4.680 2.420 2.110) 5.676 ======================= Grid point 109 (54/100) ======================= q-point: (-0.57 0.14 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 172 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.349 ( -0.448 3.050 -4.888) 5.779 1.547 ( -1.636 0.600 -6.715) 6.938 1.716 ( -8.928 -0.669 -3.391) 9.574 1.866 ( -4.695 16.925 2.085) 17.688 1.955 ( 4.142 8.059 3.989) 9.900 2.016 ( -3.556 0.267 2.750) 4.503 2.079 ( 1.823 4.582 -1.661) 5.204 2.189 ( 3.927 -0.843 -0.190) 4.021 2.248 ( 3.043 8.813 -6.710) 11.487 2.483 ( 2.011 -2.239 2.927) 4.198 2.607 ( 1.975 -2.315 -1.926) 3.601 2.685 ( 1.699 -0.273 2.221) 2.810 2.868 ( -2.864 4.854 6.837) 8.861 2.928 ( -4.331 -2.037 -3.984) 6.227 2.957 ( -1.678 3.712 6.401) 7.587 3.070 ( 6.275 -2.827 -1.808) 7.116 3.187 ( 5.844 -3.110 -3.031) 7.281 3.267 ( -0.886 -2.245 -0.027) 2.413 3.345 ( -4.335 3.153 2.366) 5.859 3.474 ( -0.096 -5.327 0.280) 5.335 3.543 ( 0.046 -6.345 -0.019) 6.345 3.656 ( 2.596 1.743 -5.976) 6.745 3.711 ( 1.423 5.238 5.964) 8.064 3.786 ( 1.967 -6.373 -1.410) 6.817 3.906 ( 1.962 1.070 -4.088) 4.660 3.977 ( 0.557 1.596 3.103) 3.534 4.008 ( -1.870 5.127 6.429) 8.433 4.127 ( 4.031 1.295 -1.763) 4.587 4.348 ( 0.400 -5.219 -1.117) 5.352 4.374 ( 1.676 5.493 -2.950) 6.456 4.403 ( -1.566 4.999 4.184) 6.704 4.517 ( 1.928 -3.517 -0.089) 4.012 4.617 ( -6.251 -2.664 0.223) 6.798 4.663 ( 5.627 0.460 0.443) 5.663 4.751 ( -1.838 -1.079 0.725) 2.251 4.925 ( -2.879 2.315 2.700) 4.576 4.961 ( 2.037 -3.334 2.733) 4.768 5.079 ( -5.659 -0.173 5.478) 7.878 5.194 ( 0.437 1.054 -4.287) 4.436 5.303 ( -0.097 3.604 -3.416) 4.967 5.327 ( 0.568 -0.554 -5.057) 5.119 5.415 ( -2.837 7.315 1.115) 7.924 5.452 ( -2.719 3.447 -3.605) 5.680 5.566 ( -2.095 1.047 3.608) 4.302 5.680 ( 2.069 -1.976 -3.708) 4.684 5.725 ( 3.590 -0.742 -4.811) 6.048 5.861 ( -1.031 -6.813 -6.525) 9.490 5.881 ( -2.080 -1.543 1.186) 2.848 6.038 ( 2.814 -4.348 1.993) 5.549 6.212 ( 0.754 1.953 -1.287) 2.457 6.354 ( 2.901 -10.408 -0.839) 10.837 6.433 ( 0.147 0.702 -2.543) 2.642 6.654 ( 2.300 7.220 1.739) 7.775 6.893 ( -1.868 -4.118 3.576) 5.766 6.929 ( 1.210 1.917 1.201) 2.566 7.073 ( -4.874 1.527 3.803) 6.368 7.163 ( -3.704 -1.947 2.746) 5.005 7.234 ( -0.185 -3.234 0.477) 3.275 7.297 ( 1.498 -5.351 0.139) 5.559 7.583 ( 3.155 4.707 -0.152) 5.668 7.635 ( -0.761 0.910 -0.491) 1.284 7.776 ( 0.452 -3.165 1.670) 3.607 8.029 ( 1.518 3.096 0.312) 3.462 8.087 ( 0.893 -1.024 0.335) 1.399 8.144 ( 1.103 -0.660 0.303) 1.320 8.216 ( -0.488 -0.802 0.815) 1.243 9.541 ( -0.480 -0.950 0.196) 1.083 9.602 ( -0.028 0.763 -0.626) 0.987 9.702 ( 2.526 4.443 -0.633) 5.150 9.896 ( 3.001 2.413 2.417) 4.546 9.979 ( -0.748 -2.315 -2.137) 3.239 10.000 ( -1.918 -0.093 -0.353) 1.953 10.097 ( 0.553 -1.028 1.671) 2.038 10.136 ( -0.348 0.431 -4.943) 4.974 10.448 ( -7.400 4.573 -2.304) 8.999 10.579 ( 2.886 0.322 -1.317) 3.189 10.729 ( -3.531 -3.188 -0.491) 4.783 10.876 ( -4.023 0.436 3.372) 5.267 11.039 ( -1.259 -1.241 0.697) 1.900 11.047 ( 0.486 2.995 -0.429) 3.064 11.158 ( -2.722 -0.623 -0.061) 2.793 11.318 ( 5.266 3.082 -3.406) 6.988 11.455 ( 3.696 -2.263 -2.632) 5.070 11.540 ( 3.216 -2.508 -4.831) 6.322 16.062 ( 4.378 2.413 6.912) 8.530 16.438 ( -2.580 2.628 0.332) 3.698 16.563 ( -0.963 -1.292 2.118) 2.661 17.014 ( -4.447 -4.998 6.835) 9.564 17.132 ( 5.594 -5.632 -8.686) 11.767 17.776 ( 1.983 5.137 1.051) 5.606 ======================= Grid point 110 (55/100) ======================= q-point: (-0.43 0.14 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 172 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.297 ( 2.139 0.709 -2.716) 3.529 1.446 ( -5.593 6.818 -4.623) 9.957 1.550 ( -7.593 14.449 4.114) 16.834 1.685 ( 0.336 0.137 -0.711) 0.798 1.866 ( 1.891 11.234 -3.006) 11.782 1.926 ( -7.764 -0.038 -1.108) 7.843 2.008 ( -0.059 5.472 4.916) 7.356 2.213 ( -1.589 -1.074 -0.674) 2.033 2.242 ( 8.077 -1.830 -6.768) 10.696 2.524 ( 0.996 -1.153 2.546) 2.967 2.663 ( -2.114 8.102 3.060) 8.915 2.700 ( 1.968 -3.235 3.386) 5.080 2.772 ( -7.217 1.428 2.680) 7.830 2.870 ( -2.016 2.799 -1.402) 3.724 2.958 ( 3.679 6.248 6.858) 9.980 3.153 ( -0.660 1.267 0.872) 1.674 3.203 ( -1.027 -0.509 -2.246) 2.522 3.251 ( -2.141 0.271 2.433) 3.252 3.372 ( 6.804 -5.999 -2.594) 9.435 3.448 ( -4.717 1.614 -3.133) 5.888 3.560 ( 1.671 -3.597 -2.485) 4.680 3.692 ( 0.139 2.771 1.552) 3.179 3.760 ( -4.273 -2.550 -0.524) 5.004 3.803 ( 1.574 -2.680 -3.426) 4.626 3.871 ( 0.344 -0.310 2.379) 2.423 3.996 ( 4.683 1.328 3.570) 6.036 4.047 ( 1.924 1.993 6.625) 7.180 4.170 ( 4.573 -2.541 -3.053) 6.058 4.273 ( 0.755 5.772 -1.276) 5.959 4.369 ( -1.312 1.059 4.948) 5.227 4.435 ( 1.414 -2.813 -1.802) 3.628 4.483 ( -4.917 3.506 1.819) 6.307 4.668 ( 2.538 -9.545 -3.575) 10.503 4.701 ( -2.292 3.616 -2.530) 4.973 4.767 ( 6.327 0.195 0.659) 6.364 4.855 ( -3.771 4.226 1.072) 5.764 5.024 ( 0.210 -0.242 3.002) 3.019 5.077 ( -2.063 3.427 -3.088) 5.053 5.149 ( -3.810 -0.006 4.247) 5.705 5.207 ( -0.656 0.275 0.410) 0.821 5.286 ( -1.471 1.078 3.726) 4.149 5.388 ( 1.860 -1.054 -3.517) 4.116 5.422 ( 4.290 -2.946 -4.017) 6.574 5.562 ( -1.189 1.325 2.212) 2.839 5.697 ( -2.071 -3.473 -4.534) 6.075 5.767 ( 4.713 -3.782 -2.004) 6.366 5.866 ( 1.633 -0.505 -5.469) 5.730 5.901 ( 0.578 -3.142 -1.189) 3.408 6.099 ( 2.263 -0.432 -4.712) 5.245 6.222 ( 2.841 -3.539 -1.140) 4.679 6.408 ( 2.247 0.513 -0.368) 2.333 6.510 ( 0.208 -9.674 -2.378) 9.964 6.560 ( -2.984 7.667 0.951) 8.282 6.891 ( 2.032 3.006 1.663) 3.991 6.989 ( -1.528 -3.333 2.730) 4.571 7.037 ( -3.338 1.359 4.891) 6.075 7.182 ( -2.244 -1.973 3.412) 4.535 7.262 ( -1.435 -1.898 -0.598) 2.453 7.375 ( 0.804 -3.056 2.157) 3.826 7.528 ( -0.568 4.713 -0.724) 4.802 7.618 ( -0.284 -0.491 -1.337) 1.453 7.811 ( -1.370 -0.240 1.293) 1.900 8.014 ( 2.719 4.267 1.687) 5.333 8.111 ( -0.452 -1.592 0.467) 1.720 8.156 ( 0.684 -0.205 -0.373) 0.805 8.214 ( -1.130 0.465 0.276) 1.253 9.554 ( -0.199 -0.513 0.582) 0.801 9.580 ( 0.369 0.971 -1.150) 1.550 9.685 ( 2.949 1.920 -0.537) 3.560 9.895 ( -0.902 0.929 -0.396) 1.354 9.959 ( 0.060 1.899 2.032) 2.782 9.997 ( -2.544 0.094 -2.279) 3.417 10.078 ( 1.362 -1.259 -4.984) 5.318 10.139 ( 0.905 -0.364 2.260) 2.461 10.323 ( -4.042 3.203 1.224) 5.300 10.617 ( 4.712 -0.535 -0.360) 4.756 10.760 ( -0.621 -5.413 -1.049) 5.548 10.857 ( -3.962 -0.430 3.296) 5.171 11.005 ( -0.192 3.339 -0.137) 3.347 11.038 ( -1.590 -0.729 0.363) 1.786 11.132 ( -2.463 -0.054 -0.376) 2.492 11.297 ( 3.170 2.860 -3.747) 5.680 11.500 ( 3.397 -1.821 -2.613) 4.656 11.560 ( 2.836 -0.846 -4.412) 5.312 16.121 ( 6.652 4.685 3.095) 8.705 16.342 ( -8.766 0.710 2.771) 9.221 16.604 ( 0.579 -0.582 1.821) 1.997 17.103 ( -6.647 -7.685 6.358) 11.986 17.197 ( 7.647 -4.311 -8.868) 12.478 17.706 ( -0.443 6.566 -1.116) 6.675 ======================= Grid point 111 (56/100) ======================= q-point: (-0.29 0.14 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 172 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.182 ( -11.634 12.874 9.314) 19.694 1.362 ( -5.173 11.315 9.562) 15.692 1.389 ( 5.045 -5.438 -0.206) 7.421 1.651 ( -0.485 6.215 -0.979) 6.310 1.791 ( 4.429 2.217 -5.441) 7.358 1.899 ( -4.786 -5.237 3.829) 8.062 2.011 ( 2.463 -0.099 5.879) 6.375 2.161 ( -3.211 2.378 -0.089) 3.996 2.302 ( 3.133 -3.124 -2.100) 4.898 2.564 ( -1.111 9.463 2.361) 9.816 2.583 ( 3.019 5.175 4.392) 7.429 2.693 ( -2.327 -2.271 2.252) 3.955 2.766 ( -1.324 -1.797 8.063) 8.366 2.836 ( 1.898 3.344 -1.590) 4.161 2.965 ( -0.998 3.280 4.826) 5.920 3.102 ( -2.162 -4.728 -5.049) 7.247 3.222 ( 3.866 5.455 0.318) 6.693 3.252 ( -2.445 -1.669 1.509) 3.323 3.360 ( -6.111 -0.443 0.145) 6.129 3.471 ( 0.834 -2.850 -3.825) 4.842 3.529 ( 1.616 2.301 -5.659) 6.319 3.663 ( -6.379 -0.382 -0.176) 6.393 3.674 ( -0.908 0.390 -1.978) 2.211 3.860 ( 2.824 -2.506 -2.998) 4.821 3.937 ( 2.089 1.001 2.599) 3.482 4.028 ( 2.408 1.729 0.483) 3.004 4.094 ( 4.192 2.555 2.886) 5.694 4.193 ( -1.835 3.672 -0.029) 4.105 4.225 ( 2.956 -0.818 -1.416) 3.378 4.348 ( -3.791 2.775 3.843) 6.070 4.461 ( -5.825 -2.803 0.835) 6.518 4.488 ( 6.115 -1.072 5.584) 8.351 4.598 ( -1.848 3.111 -3.503) 5.036 4.731 ( -0.110 5.953 -3.021) 6.676 4.767 ( -0.752 -1.613 -1.408) 2.269 4.829 ( -0.433 -7.401 0.673) 7.444 4.947 ( 1.118 5.600 -1.875) 6.011 5.075 ( 0.593 -4.019 -0.538) 4.098 5.191 ( -1.708 -0.849 1.828) 2.642 5.247 ( 2.408 -2.838 4.036) 5.490 5.330 ( -0.579 -1.769 8.377) 8.582 5.421 ( 2.499 -2.384 1.899) 3.942 5.525 ( 5.054 -4.959 -5.016) 8.677 5.543 ( -0.180 0.707 1.928) 2.061 5.658 ( -5.003 -3.495 -3.311) 6.943 5.800 ( -4.230 1.131 1.830) 4.746 5.872 ( 5.813 -3.323 -8.064) 10.482 5.953 ( 5.988 -2.734 -5.904) 8.842 6.113 ( 4.011 -6.045 -8.500) 11.175 6.233 ( 2.463 3.794 -2.623) 5.229 6.423 ( -4.385 7.181 0.759) 8.448 6.486 ( 3.606 -4.346 1.078) 5.749 6.560 ( -1.397 -4.748 -5.891) 7.694 6.860 ( -1.184 5.900 2.498) 6.515 6.982 ( -5.515 -0.189 2.115) 5.910 7.108 ( 4.921 -2.745 4.906) 7.471 7.206 ( -1.920 -0.942 3.492) 4.095 7.249 ( -2.000 -0.537 -0.774) 2.211 7.371 ( -1.215 6.062 0.107) 6.183 7.488 ( -2.549 -2.334 0.477) 3.489 7.616 ( 1.066 0.167 -0.998) 1.470 7.773 ( -2.851 2.648 -0.000) 3.891 7.992 ( 1.697 4.883 1.719) 5.448 8.117 ( -3.018 -1.328 0.822) 3.398 8.168 ( 1.670 0.304 -0.711) 1.841 8.191 ( -0.664 0.393 -0.816) 1.123 9.542 ( 0.178 1.011 0.252) 1.057 9.598 ( 0.711 -1.692 0.779) 1.994 9.691 ( 1.062 0.505 -1.064) 1.585 9.827 ( -4.334 2.797 -2.994) 5.964 9.943 ( -0.904 -0.674 0.267) 1.159 9.979 ( 0.964 -0.370 0.889) 1.363 10.108 ( 3.000 0.106 -0.895) 3.132 10.173 ( 2.090 -0.393 1.101) 2.395 10.323 ( 3.554 -1.687 5.937) 7.122 10.683 ( 4.232 -1.022 1.179) 4.510 10.800 ( -4.462 -3.932 0.433) 5.963 10.875 ( 2.110 -1.950 0.996) 3.041 10.958 ( -0.233 3.035 -0.092) 3.046 11.039 ( -1.303 -1.695 0.373) 2.171 11.101 ( -2.823 -0.307 -0.467) 2.878 11.255 ( 1.654 2.582 -4.171) 5.177 11.529 ( 1.829 -0.555 -2.154) 2.880 11.547 ( 3.408 2.105 -4.826) 6.272 16.112 ( 2.002 5.457 0.555) 5.839 16.331 ( -3.691 -3.983 5.403) 7.661 16.585 ( -3.723 2.345 -1.453) 4.634 17.125 ( -2.805 -1.045 -2.032) 3.618 17.267 ( 0.163 -4.758 -0.636) 4.803 17.602 ( -0.535 4.782 -2.780) 5.558 ======================= Grid point 112 (57/100) ======================= q-point: (-0.14 0.14 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 172 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.061 ( -8.567 4.045 20.916) 22.961 1.323 ( -0.472 6.186 20.391) 21.314 1.521 ( 2.596 -5.279 0.275) 5.889 1.633 ( 5.965 -2.634 -1.611) 6.716 1.782 ( 2.832 -4.199 -4.615) 6.852 1.966 ( 2.285 -0.296 3.342) 4.060 2.119 ( 0.052 5.547 10.066) 11.493 2.164 ( 3.456 -5.278 3.337) 7.137 2.325 ( -1.690 7.044 8.276) 10.999 2.435 ( -0.471 2.297 -3.863) 4.518 2.589 ( 1.906 3.387 4.525) 5.965 2.680 ( -0.859 0.556 -2.924) 3.098 2.751 ( -0.782 8.857 -0.902) 8.938 2.839 ( -4.128 -0.868 0.525) 4.251 3.016 ( -1.239 -6.668 10.456) 12.463 3.124 ( 0.528 -4.236 -4.170) 5.967 3.165 ( 0.520 7.802 2.976) 8.367 3.270 ( -2.115 -3.496 -0.626) 4.134 3.325 ( -2.206 -2.171 0.331) 3.113 3.421 ( 3.651 2.370 -6.973) 8.220 3.506 ( 1.345 -1.812 -2.676) 3.500 3.591 ( -8.121 -2.589 -4.286) 9.541 3.674 ( -1.934 -1.589 0.266) 2.518 3.875 ( 5.910 2.248 -4.850) 7.968 3.896 ( -1.412 5.337 0.759) 5.573 4.001 ( 4.367 5.788 -3.532) 8.065 4.102 ( 0.644 3.274 -0.399) 3.361 4.131 ( -1.101 4.739 0.969) 4.961 4.256 ( -1.312 -1.976 4.200) 4.823 4.346 ( 2.904 -0.289 -0.188) 2.925 4.389 ( -9.208 -0.162 0.191) 9.211 4.539 ( -5.919 -0.814 3.509) 6.929 4.625 ( 9.275 -1.219 -3.367) 9.942 4.648 ( -0.968 1.956 2.137) 3.055 4.819 ( 3.460 -0.485 0.648) 3.553 4.880 ( -0.557 -2.545 4.364) 5.082 4.944 ( 2.783 -3.175 -5.415) 6.866 5.122 ( -0.541 -4.250 -1.910) 4.691 5.213 ( -3.622 -3.046 4.302) 6.396 5.321 ( 4.374 -0.293 2.811) 5.207 5.428 ( -8.280 -1.822 5.401) 10.052 5.489 ( -0.004 -2.191 5.283) 5.720 5.526 ( 2.574 -3.401 4.144) 5.947 5.616 ( -0.591 -3.204 2.765) 4.273 5.682 ( 5.487 -4.344 -7.266) 10.088 5.747 ( -4.387 -0.644 0.403) 4.453 5.899 ( 4.018 -3.545 -9.610) 11.003 5.980 ( 2.644 -2.462 -7.070) 7.939 6.115 ( -1.902 3.014 -3.142) 4.752 6.233 ( 7.572 -0.682 -7.369) 10.588 6.291 ( -2.565 7.439 -0.278) 7.874 6.500 ( 1.426 -1.777 -7.677) 8.008 6.611 ( -0.940 -6.293 0.143) 6.365 6.760 ( -2.564 9.650 4.516) 10.958 6.925 ( -2.946 2.808 0.124) 4.072 7.160 ( -2.432 1.021 2.044) 3.337 7.224 ( -0.496 1.842 -1.151) 2.228 7.254 ( -2.492 5.408 1.851) 6.236 7.299 ( 3.800 -4.586 2.063) 6.303 7.485 ( -2.926 -1.299 -0.589) 3.255 7.620 ( 1.622 1.514 0.055) 2.219 7.702 ( -2.331 2.301 0.244) 3.284 7.969 ( 1.494 2.874 1.933) 3.772 8.100 ( -3.450 -0.898 0.707) 3.634 8.148 ( 0.002 1.673 -1.482) 2.235 8.193 ( 1.280 0.149 -1.034) 1.652 9.556 ( 1.010 -0.877 1.724) 2.182 9.635 ( 0.282 -1.670 1.187) 2.069 9.663 ( -3.210 0.617 -0.920) 3.396 9.739 ( -0.554 2.476 -1.398) 2.896 9.965 ( 0.018 -1.226 1.242) 1.745 10.003 ( 0.026 -1.179 0.731) 1.387 10.113 ( 1.611 0.610 -1.096) 2.042 10.188 ( 1.879 1.006 -1.454) 2.580 10.561 ( 10.842 -10.421 6.921) 16.554 10.720 ( -1.961 -0.327 1.014) 2.232 10.807 ( 0.056 -1.540 1.426) 2.099 10.925 ( 2.933 0.709 -0.351) 3.038 10.936 ( 1.676 0.416 0.050) 1.728 11.062 ( -0.637 -2.883 0.509) 2.996 11.074 ( -2.904 -1.275 -1.341) 3.444 11.216 ( 1.545 0.617 -3.272) 3.671 11.479 ( -0.050 4.704 -2.816) 5.483 11.538 ( 3.702 1.741 -3.851) 5.618 16.068 ( -3.501 2.278 2.787) 5.021 16.326 ( -6.235 3.358 -6.151) 9.380 16.504 ( -1.409 0.993 8.122) 8.303 17.066 ( 2.389 3.499 -6.044) 7.381 17.288 ( -8.985 -2.617 4.947) 10.586 17.559 ( 3.933 0.857 -2.309) 4.640 ======================= Grid point 115 (58/100) ======================= q-point: ( 0.29 0.29 -0.71) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.396 ( -2.374 -0.000 -2.874) 3.728 1.544 ( -6.963 -0.000 -7.525) 10.253 1.702 ( -5.804 -0.000 -10.765) 12.230 1.983 ( 3.889 0.000 -5.145) 6.449 2.012 ( -2.699 -0.000 12.245) 12.539 2.151 ( 4.207 0.000 -1.977) 4.648 2.181 ( 1.314 0.000 4.416) 4.607 2.266 ( 8.239 0.000 -0.239) 8.242 2.379 ( 0.519 0.000 -3.880) 3.915 2.457 ( -0.860 -0.000 0.684) 1.099 2.569 ( 11.601 0.000 4.494) 12.441 2.763 ( -6.636 -0.000 1.650) 6.838 2.778 ( -3.693 -0.000 -4.277) 5.651 2.921 ( 3.706 0.000 3.074) 4.815 3.046 ( 0.201 0.000 -2.309) 2.318 3.060 ( 2.065 0.000 0.614) 2.154 3.161 ( -2.721 -0.000 9.463) 9.847 3.182 ( 2.186 0.000 2.988) 3.702 3.317 ( 3.264 0.000 -10.108) 10.622 3.372 ( -4.147 -0.000 -2.193) 4.691 3.428 ( -0.541 -0.000 2.148) 2.215 3.585 ( 1.423 0.000 -5.883) 6.052 3.833 ( 10.862 0.000 -9.493) 14.426 3.885 ( 2.519 0.000 10.492) 10.790 3.896 ( 1.697 0.000 0.207) 1.709 3.926 ( -1.099 -0.000 1.985) 2.269 4.122 ( -1.110 -0.000 1.046) 1.526 4.156 ( 1.610 0.000 1.981) 2.553 4.282 ( 7.499 0.000 -2.528) 7.914 4.351 ( -5.300 -0.000 -0.387) 5.314 4.458 ( 4.309 0.000 -5.233) 6.779 4.620 ( -0.185 -0.000 0.326) 0.375 4.664 ( -2.420 -0.000 7.018) 7.423 4.670 ( -0.785 -0.000 -4.713) 4.778 4.680 ( -1.706 -0.000 3.985) 4.335 4.805 ( 2.464 0.000 0.671) 2.554 4.975 ( -10.046 -0.000 10.365) 14.435 5.089 ( -8.538 -0.000 7.327) 11.251 5.211 ( -3.719 -0.000 -4.815) 6.084 5.263 ( 9.810 0.000 -11.203) 14.891 5.393 ( -2.725 -0.000 -4.653) 5.392 5.448 ( -0.419 -0.000 2.899) 2.929 5.601 ( -3.288 -0.000 0.516) 3.328 5.617 ( -0.883 -0.000 -1.951) 2.142 5.660 ( -3.171 -0.000 -1.974) 3.736 5.743 ( 1.558 0.000 -6.053) 6.250 5.753 ( 0.956 0.000 -7.125) 7.189 5.854 ( -0.082 -0.000 0.267) 0.279 5.928 ( 0.332 0.000 6.343) 6.352 6.178 ( 0.929 0.000 3.883) 3.992 6.262 ( -1.012 -0.000 2.038) 2.275 6.447 ( 2.894 0.000 -5.879) 6.552 6.744 ( -1.871 -0.000 4.545) 4.915 6.798 ( 5.668 0.000 2.680) 6.270 7.065 ( -2.052 -0.000 -1.964) 2.841 7.073 ( -1.742 -0.000 2.388) 2.956 7.109 ( -4.151 -0.000 2.625) 4.911 7.176 ( 4.825 0.000 -2.127) 5.273 7.188 ( -2.947 -0.000 3.148) 4.313 7.669 ( 1.478 0.000 -3.602) 3.894 7.678 ( -1.679 -0.000 0.310) 1.707 7.684 ( 4.111 0.000 4.728) 6.266 8.069 ( 0.795 0.000 -0.056) 0.797 8.073 ( 1.570 0.000 -1.958) 2.510 8.145 ( 2.472 0.000 3.193) 4.038 8.194 ( -0.254 -0.000 1.537) 1.558 9.527 ( -0.530 -0.000 -0.067) 0.534 9.611 ( -0.010 -0.000 -0.366) 0.366 9.792 ( 2.056 0.000 -1.119) 2.341 9.903 ( 4.348 0.000 -0.257) 4.355 9.971 ( -2.893 -0.000 -2.879) 4.081 9.973 ( -1.044 -0.000 2.869) 3.053 10.085 ( 0.358 0.000 1.338) 1.385 10.140 ( 0.314 0.000 -4.890) 4.900 10.539 ( -10.204 -0.000 -2.305) 10.461 10.543 ( 3.847 0.000 -5.928) 7.067 10.706 ( -4.593 -0.000 2.780) 5.369 10.939 ( -3.494 -0.000 2.097) 4.075 10.962 ( -1.231 -0.000 1.890) 2.255 11.094 ( -0.306 -0.000 -0.596) 0.670 11.134 ( -4.110 -0.000 1.575) 4.401 11.397 ( 9.713 0.000 -7.686) 12.386 11.401 ( -0.013 -0.000 0.849) 0.849 11.492 ( 4.018 0.000 -4.876) 6.318 16.107 ( 4.943 0.000 11.831) 12.822 16.488 ( 5.148 0.000 3.989) 6.513 16.538 ( -4.654 -0.000 -4.212) 6.277 16.969 ( -9.095 -0.000 6.446) 11.148 17.016 ( 7.567 0.000 -9.958) 12.506 17.845 ( 1.953 0.000 1.523) 2.476 ======================= Grid point 116 (59/100) ======================= q-point: (-0.57 0.29 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 172 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.354 ( 0.435 2.368 -3.078) 3.908 1.472 ( -0.162 -3.164 -3.249) 4.538 1.576 ( -3.813 -1.000 -7.093) 8.115 1.903 ( -4.350 6.499 -8.378) 11.461 1.988 ( -5.656 5.429 1.172) 7.927 2.118 ( -0.882 3.075 2.964) 4.361 2.185 ( -0.245 -0.335 0.973) 1.058 2.243 ( 4.094 11.385 -6.153) 13.573 2.405 ( 2.631 1.887 -0.395) 3.261 2.499 ( 2.653 -0.746 2.738) 3.885 2.613 ( 4.999 2.645 -1.749) 5.920 2.701 ( -0.113 -1.335 1.413) 1.947 2.787 ( -3.421 -5.198 -3.011) 6.913 2.898 ( -4.129 6.126 0.822) 7.434 3.040 ( 0.444 -0.265 2.693) 2.742 3.123 ( -0.733 -0.334 6.029) 6.082 3.183 ( -0.061 1.403 -0.527) 1.500 3.231 ( 5.659 -5.702 -0.432) 8.045 3.349 ( 3.423 -2.815 -3.569) 5.690 3.377 ( -3.846 -4.953 0.355) 6.281 3.408 ( 2.442 -2.854 -6.136) 7.195 3.681 ( 1.772 -11.073 0.929) 11.252 3.725 ( -0.848 11.808 -4.208) 12.564 3.848 ( -1.673 6.013 0.991) 6.319 3.931 ( 3.029 -0.395 -1.951) 3.625 4.050 ( 6.399 -2.661 0.751) 6.971 4.087 ( -0.917 4.476 3.994) 6.069 4.171 ( -2.090 0.276 4.682) 5.135 4.287 ( -1.299 -0.288 0.316) 1.367 4.375 ( -2.032 -4.822 -0.364) 5.245 4.461 ( 5.840 1.970 -2.443) 6.629 4.559 ( 2.565 7.857 0.055) 8.265 4.608 ( -0.818 2.503 0.520) 2.684 4.725 ( 0.667 -1.334 0.714) 1.654 4.731 ( 2.909 -1.840 4.479) 5.649 4.890 ( -0.377 -2.883 1.096) 3.108 4.966 ( -6.007 -2.479 9.590) 11.584 5.058 ( -4.598 -0.153 1.757) 4.925 5.152 ( -0.202 -0.801 -4.470) 4.546 5.237 ( -0.946 -0.692 -7.092) 7.188 5.311 ( -0.182 3.693 -2.011) 4.210 5.461 ( 1.500 5.062 -4.521) 6.951 5.535 ( 1.628 3.319 2.662) 4.556 5.581 ( -1.890 0.267 0.884) 2.104 5.655 ( -0.194 -1.749 -2.326) 2.917 5.690 ( -0.563 -0.186 -5.425) 5.458 5.731 ( 2.592 -4.704 -7.886) 9.542 5.887 ( 2.247 1.832 3.652) 4.663 6.036 ( 3.060 -5.279 4.431) 7.541 6.211 ( -5.396 2.114 0.023) 5.795 6.259 ( -0.982 -6.586 2.759) 7.207 6.442 ( 4.578 1.056 -4.466) 6.483 6.745 ( -1.392 2.374 1.125) 2.973 6.878 ( 1.619 -0.541 6.052) 6.288 6.974 ( -0.394 3.554 -3.028) 4.686 7.070 ( -4.339 0.156 4.122) 5.987 7.111 ( -3.272 -3.734 1.916) 5.321 7.206 ( -1.788 -1.360 3.977) 4.568 7.252 ( 4.080 -4.620 -1.331) 6.305 7.607 ( -2.780 1.053 -1.650) 3.400 7.674 ( 1.373 3.194 -0.568) 3.523 7.775 ( 2.427 -1.369 3.518) 4.488 8.074 ( 1.388 0.466 -0.253) 1.485 8.085 ( 1.712 -0.627 -0.661) 1.939 8.180 ( 1.233 1.649 2.457) 3.206 8.212 ( -0.323 -0.632 1.946) 2.071 9.529 ( 0.034 -0.664 0.168) 0.686 9.605 ( 0.102 0.390 -0.804) 0.899 9.756 ( 0.634 2.607 -4.167) 4.956 9.912 ( -1.792 0.745 -1.268) 2.318 9.956 ( -0.236 -2.367 -0.424) 2.417 9.998 ( 1.954 0.725 2.869) 3.547 10.080 ( -0.111 1.104 -6.396) 6.492 10.118 ( 0.905 -1.074 1.102) 1.785 10.406 ( -6.314 2.780 -0.833) 6.949 10.565 ( 3.180 -3.720 -5.570) 7.414 10.688 ( -1.923 0.210 2.874) 3.464 10.883 ( -3.221 2.928 2.880) 5.220 10.998 ( -1.739 -3.208 0.675) 3.711 11.072 ( -0.381 1.562 -0.872) 1.829 11.111 ( -4.082 -1.006 1.749) 4.554 11.373 ( 2.397 3.070 -2.693) 4.735 11.456 ( 4.662 -2.184 -3.676) 6.326 11.512 ( 4.300 -1.462 -4.579) 6.450 16.241 ( 5.047 3.568 12.041) 13.535 16.432 ( -3.246 4.147 -3.385) 6.261 16.574 ( 1.120 -1.918 4.422) 4.948 16.934 ( -7.629 -2.924 4.210) 9.191 17.059 ( 7.787 -5.322 -9.890) 13.667 17.835 ( -1.334 2.778 -0.684) 3.157 ======================= Grid point 117 (60/100) ======================= q-point: (-0.43 0.29 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 172 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.325 ( 3.140 1.162 -1.027) 3.502 1.447 ( -0.142 4.214 -5.717) 7.104 1.617 ( 1.260 -8.962 2.603) 9.417 1.659 ( -3.889 11.328 -2.786) 12.297 1.866 ( -4.987 2.713 -2.398) 6.163 2.000 ( -1.073 15.754 -6.680) 17.145 2.120 ( 2.370 1.844 0.544) 3.051 2.158 ( -3.232 -1.054 -2.283) 4.096 2.385 ( 3.163 11.498 1.753) 12.053 2.504 ( -1.594 -3.580 0.894) 4.020 2.684 ( -1.916 -5.652 -0.585) 5.996 2.707 ( -3.010 -0.488 2.598) 4.006 2.780 ( 1.508 5.931 2.261) 6.525 2.842 ( 4.866 -3.055 -3.000) 6.482 3.053 ( -5.475 -0.821 4.739) 7.288 3.102 ( -4.496 2.082 -1.747) 5.254 3.209 ( 3.829 -0.081 -0.157) 3.833 3.312 ( -3.643 5.594 3.907) 7.735 3.332 ( 1.312 -2.122 -4.706) 5.327 3.387 ( 2.615 -2.751 -3.791) 5.365 3.472 ( 3.694 -6.972 -3.955) 8.826 3.647 ( -0.412 -4.594 -1.005) 4.721 3.733 ( -3.067 6.125 -1.324) 6.977 3.819 ( -1.423 -6.048 2.437) 6.674 3.893 ( 0.847 5.825 -1.315) 6.032 4.095 ( -1.012 -3.359 -0.254) 3.517 4.127 ( 3.547 -0.066 1.125) 3.721 4.184 ( 1.269 5.218 9.042) 10.517 4.282 ( 2.247 0.901 -1.623) 2.915 4.404 ( -1.118 -3.130 1.189) 3.529 4.483 ( -2.414 1.404 2.547) 3.780 4.544 ( 4.428 7.795 1.201) 9.045 4.570 ( 5.221 -3.319 -0.918) 6.254 4.718 ( -1.138 3.413 0.104) 3.600 4.799 ( -4.674 -0.895 3.423) 5.862 4.851 ( -0.799 1.839 -4.391) 4.827 4.967 ( -10.907 -3.791 4.379) 12.350 5.075 ( -2.762 2.830 -4.921) 6.313 5.097 ( 2.423 -3.007 4.726) 6.103 5.236 ( 6.089 2.464 -2.900) 7.181 5.324 ( 5.431 -3.417 1.731) 6.646 5.382 ( -0.042 1.743 -1.717) 2.447 5.501 ( 3.952 6.449 -1.375) 7.688 5.567 ( -1.938 -0.801 -0.521) 2.161 5.623 ( -2.520 0.827 -2.825) 3.875 5.746 ( 4.802 -5.513 -3.130) 7.953 5.797 ( 6.855 -7.097 -6.441) 11.783 5.895 ( -0.342 2.482 2.804) 3.761 6.050 ( -4.564 1.696 -5.537) 7.373 6.228 ( 2.242 -4.103 5.823) 7.468 6.354 ( -2.105 -9.375 -1.721) 9.761 6.447 ( 4.139 1.723 -1.231) 4.650 6.647 ( -3.059 8.242 0.402) 8.801 6.921 ( -1.269 -1.211 -1.705) 2.446 6.961 ( 1.674 0.026 3.847) 4.196 7.079 ( -1.086 -1.136 5.329) 5.556 7.146 ( -2.643 -3.881 1.405) 4.901 7.228 ( -2.886 -0.360 4.736) 5.558 7.346 ( 2.440 -4.584 -0.004) 5.193 7.548 ( -2.877 2.606 -1.771) 4.267 7.636 ( 1.458 2.764 -0.007) 3.125 7.809 ( -1.004 0.703 1.729) 2.119 8.076 ( 0.220 0.582 -0.186) 0.649 8.116 ( 2.252 0.013 0.610) 2.333 8.173 ( -0.205 2.073 1.335) 2.475 8.220 ( -0.224 0.928 1.191) 1.526 9.546 ( 0.142 -1.205 0.574) 1.342 9.586 ( -0.081 0.966 -1.347) 1.660 9.709 ( 0.869 0.748 -3.742) 3.914 9.874 ( -2.884 0.970 -2.034) 3.660 9.938 ( -2.155 0.261 -1.862) 2.860 9.985 ( -1.507 0.802 -0.731) 1.857 10.088 ( 6.277 -1.050 -0.312) 6.371 10.154 ( 0.716 -1.006 1.356) 1.834 10.331 ( -2.258 1.590 1.458) 3.123 10.612 ( 1.836 -5.201 -4.758) 7.284 10.712 ( 1.227 -0.846 2.804) 3.175 10.855 ( -1.230 0.653 2.967) 3.277 11.010 ( -1.510 -1.328 -0.092) 2.013 11.034 ( -0.344 2.332 -1.000) 2.561 11.092 ( -3.860 -0.694 1.373) 4.156 11.328 ( 1.286 3.099 -3.620) 4.936 11.499 ( 3.505 -1.555 -2.707) 4.694 11.545 ( 4.436 -1.584 -4.578) 6.569 16.298 ( -8.743 2.277 6.075) 10.887 16.326 ( 9.789 8.764 1.221) 13.196 16.623 ( -1.264 0.521 4.762) 4.955 16.947 ( -9.066 -7.879 3.581) 12.534 17.157 ( 9.131 -6.250 -8.474) 13.937 17.737 ( -3.872 4.752 -3.515) 7.066 ======================= Grid point 118 (61/100) ======================= q-point: (-0.29 0.29 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 172 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.276 ( -11.289 9.725 7.418) 16.645 1.393 ( 5.082 -2.267 -0.494) 5.586 1.509 ( 1.969 7.221 1.626) 7.659 1.772 ( 2.281 10.158 -1.801) 10.566 1.801 ( -1.233 1.901 -2.904) 3.684 1.819 ( 4.531 -9.845 3.831) 11.494 2.086 ( 0.026 2.392 -0.518) 2.448 2.167 ( 2.413 -2.143 -0.776) 3.320 2.304 ( 0.196 2.939 2.652) 3.963 2.523 ( -5.294 -4.343 -3.056) 7.499 2.683 ( -0.858 0.060 0.167) 0.876 2.729 ( -1.190 5.772 0.056) 5.894 2.763 ( -2.510 -4.349 6.635) 8.321 2.895 ( 3.575 2.422 0.278) 4.327 2.968 ( -4.956 3.737 -1.881) 6.485 3.048 ( 4.213 -0.689 -3.413) 5.465 3.230 ( -0.429 -2.462 2.068) 3.244 3.296 ( 1.245 2.040 -1.919) 3.065 3.302 ( -2.566 -0.503 1.593) 3.061 3.457 ( 3.773 0.843 -2.841) 4.798 3.486 ( -4.092 -1.791 -2.315) 5.031 3.611 ( -1.185 4.398 -0.605) 4.595 3.682 ( -2.805 0.009 -1.779) 3.321 3.816 ( 1.419 -0.385 -0.850) 1.699 3.933 ( -0.737 -5.990 2.845) 6.672 4.092 ( -3.436 -3.261 -2.786) 5.496 4.153 ( 3.082 4.598 2.570) 6.103 4.187 ( -1.189 3.694 2.356) 4.540 4.298 ( 4.506 1.098 -0.922) 4.729 4.394 ( -3.104 4.860 1.785) 6.037 4.418 ( -0.044 2.395 -2.274) 3.303 4.544 ( -3.712 0.395 4.449) 5.808 4.640 ( -2.306 5.277 4.949) 7.593 4.696 ( 1.085 -6.887 0.779) 7.016 4.755 ( -4.162 2.129 -0.027) 4.675 4.790 ( 3.895 -1.015 1.451) 4.278 4.963 ( -6.290 -3.412 0.075) 7.156 5.015 ( 3.941 2.277 -3.002) 5.453 5.195 ( 1.031 -4.243 2.523) 5.043 5.242 ( 4.614 2.109 -1.443) 5.274 5.347 ( -4.147 -0.258 0.441) 4.179 5.461 ( 4.913 -3.196 0.751) 5.909 5.509 ( 5.298 -2.639 -4.106) 7.204 5.550 ( 0.183 0.390 -1.311) 1.380 5.580 ( -1.607 -0.241 2.658) 3.115 5.798 ( 3.626 -1.961 -6.030) 7.305 5.852 ( 0.056 4.597 -0.375) 4.612 5.907 ( 0.841 -3.008 -4.358) 5.362 6.009 ( 3.820 -7.706 -4.731) 9.816 6.297 ( 1.080 1.215 2.016) 2.589 6.419 ( 0.674 -5.162 -7.255) 8.929 6.478 ( -0.164 -1.958 3.596) 4.098 6.511 ( -0.835 8.310 -0.413) 8.362 6.897 ( 1.071 0.708 -3.883) 4.090 6.989 ( -2.754 2.300 6.888) 7.766 7.164 ( 1.546 -4.516 4.261) 6.398 7.179 ( -1.461 -3.566 1.956) 4.322 7.224 ( -2.838 2.209 4.758) 5.964 7.404 ( -1.216 -0.692 1.045) 1.746 7.445 ( -3.215 2.982 -2.223) 4.917 7.645 ( 3.244 0.847 0.086) 3.354 7.768 ( -3.217 2.363 -0.126) 3.993 8.063 ( -0.256 0.927 -0.185) 0.980 8.098 ( -2.195 3.609 1.581) 4.510 8.181 ( 1.834 -0.710 0.174) 1.974 8.206 ( 0.673 2.183 -0.230) 2.296 9.553 ( -0.252 0.206 0.078) 0.335 9.587 ( 0.640 -1.613 0.139) 1.741 9.680 ( -1.318 0.493 -2.099) 2.527 9.783 ( -2.899 1.231 -4.267) 5.303 9.938 ( 1.436 -0.479 0.639) 1.643 9.975 ( -0.679 -0.781 0.581) 1.186 10.148 ( 2.875 1.325 -0.694) 3.241 10.187 ( 1.371 -1.438 0.484) 2.045 10.363 ( 2.474 -3.940 4.645) 6.574 10.651 ( -1.920 -4.964 -2.890) 6.057 10.772 ( 3.010 -1.027 2.763) 4.213 10.888 ( 2.598 -1.486 1.013) 3.159 10.992 ( 0.303 2.220 -0.958) 2.436 11.015 ( 0.178 -0.976 -0.151) 1.004 11.063 ( -3.652 0.128 0.985) 3.785 11.264 ( -0.001 2.824 -4.159) 5.027 11.525 ( 2.084 -0.539 -2.591) 3.368 11.568 ( 4.689 0.117 -4.712) 6.648 16.182 ( -6.253 5.147 2.662) 8.525 16.357 ( 5.036 3.550 0.372) 6.173 16.610 ( -2.549 4.422 6.651) 8.384 16.977 ( -9.361 -8.182 2.321) 12.648 17.269 ( 8.677 -2.807 -4.529) 10.182 17.597 ( -3.870 3.200 -5.099) 7.156 ======================= Grid point 119 (62/100) ======================= q-point: (-0.14 0.29 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 172 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.169 ( -9.567 0.639 21.612) 23.644 1.463 ( 1.369 -3.957 -3.341) 5.356 1.525 ( 6.846 2.794 5.386) 9.148 1.721 ( 5.168 0.923 -4.331) 6.806 1.783 ( 5.292 4.238 5.032) 8.443 2.000 ( 4.235 -4.468 1.556) 6.350 2.139 ( 2.203 -6.079 1.720) 6.691 2.214 ( 2.932 0.404 0.616) 3.023 2.340 ( -2.245 -4.022 5.796) 7.403 2.466 ( -5.686 -1.549 -2.757) 6.506 2.569 ( -5.757 6.185 -4.264) 9.465 2.686 ( 0.721 -0.138 -2.573) 2.675 2.758 ( -2.818 3.793 -2.333) 5.270 2.908 ( -0.002 3.533 4.461) 5.691 2.970 ( -0.139 -6.492 6.362) 9.091 3.095 ( 6.957 0.916 -4.023) 8.088 3.241 ( -5.856 -0.122 -1.237) 5.987 3.252 ( -4.484 -2.966 0.669) 5.418 3.317 ( 4.407 5.922 3.005) 7.970 3.384 ( -2.355 -2.135 0.819) 3.283 3.508 ( 4.918 0.102 -2.053) 5.330 3.547 ( 4.610 5.904 -1.604) 7.660 3.631 ( -3.678 -0.706 -2.345) 4.419 3.861 ( -0.889 -4.880 -1.808) 5.280 3.937 ( -2.907 4.202 0.557) 5.140 4.086 ( -3.798 3.545 -1.790) 5.495 4.097 ( 2.164 0.233 -3.539) 4.155 4.138 ( -3.313 1.715 2.686) 4.597 4.309 ( 3.625 2.135 -2.408) 4.847 4.343 ( -1.651 2.409 1.531) 3.297 4.381 ( 1.433 0.074 2.261) 2.678 4.481 ( -8.063 2.511 4.283) 9.469 4.637 ( -1.002 -0.593 -1.173) 1.653 4.687 ( -2.913 0.092 8.700) 9.175 4.854 ( 0.534 -7.334 3.154) 8.002 4.893 ( 7.949 0.080 -0.060) 7.949 4.914 ( -3.378 0.659 -1.223) 3.653 5.017 ( 1.502 -1.260 -2.668) 3.311 5.246 ( 6.807 1.801 -2.648) 7.523 5.284 ( -9.056 -6.677 2.036) 11.434 5.310 ( 0.390 -3.733 -2.618) 4.576 5.486 ( -3.611 0.215 0.645) 3.674 5.552 ( 1.424 0.167 3.103) 3.418 5.580 ( -1.669 -6.783 -1.194) 7.087 5.644 ( 4.674 -2.726 -2.325) 5.889 5.774 ( 0.024 5.238 3.898) 6.529 5.831 ( 5.061 -2.234 -9.170) 10.709 5.918 ( 2.971 -3.981 -4.407) 6.641 6.099 ( -0.885 -1.510 -0.099) 1.753 6.289 ( 3.171 5.489 -3.166) 7.086 6.388 ( 4.438 2.448 -4.387) 6.703 6.428 ( 2.285 1.524 -4.599) 5.357 6.517 ( -4.677 -3.610 2.309) 6.343 6.869 ( 2.519 2.317 -2.890) 4.480 6.953 ( -4.122 5.123 6.303) 9.108 7.169 ( -6.671 1.656 4.934) 8.461 7.224 ( 0.345 -0.716 1.369) 1.583 7.294 ( 1.898 -1.738 3.445) 4.300 7.315 ( -1.012 3.771 -0.437) 3.929 7.427 ( -2.248 -1.921 -0.771) 3.056 7.660 ( 0.292 1.473 -0.259) 1.524 7.709 ( 0.421 1.635 0.050) 1.689 8.035 ( 0.346 3.605 1.409) 3.886 8.058 ( -2.506 -0.937 0.052) 2.676 8.174 ( 0.747 2.841 -1.123) 3.145 8.207 ( 1.645 0.128 -0.261) 1.670 9.564 ( 0.381 -1.042 1.095) 1.559 9.616 ( -0.810 -1.739 0.455) 1.972 9.633 ( -2.131 0.595 -1.249) 2.541 9.745 ( 1.140 -0.234 -1.506) 1.903 9.967 ( 1.248 -0.491 0.542) 1.447 9.996 ( 0.300 -1.143 1.509) 1.917 10.132 ( 0.614 1.649 -1.354) 2.220 10.203 ( 1.053 0.201 -1.473) 1.822 10.522 ( -0.490 -9.048 5.132) 10.414 10.648 ( -3.168 -2.753 -2.975) 5.144 10.838 ( 1.859 -0.659 2.928) 3.530 10.948 ( 2.893 -2.450 -0.352) 3.807 10.962 ( -0.726 1.767 -1.245) 2.280 11.036 ( -0.795 -0.177 0.527) 0.970 11.060 ( 5.483 -1.508 -0.291) 5.694 11.206 ( 0.178 0.665 -3.446) 3.514 11.507 ( 0.807 2.516 -2.857) 3.892 11.569 ( 4.180 1.424 -4.614) 6.387 16.071 ( -8.050 3.873 3.132) 9.466 16.330 ( 3.427 4.466 -3.376) 6.564 16.598 ( -1.031 3.902 9.884) 10.676 16.993 ( -5.668 -5.337 0.378) 7.795 17.289 ( 1.119 5.001 -1.908) 5.468 17.557 ( 2.923 -3.848 -2.756) 5.563 ======================= Grid point 123 (63/100) ======================= q-point: ( 0.43 0.43 -0.71) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.360 ( 0.893 0.000 -1.060) 1.386 1.461 ( 3.091 0.000 2.858) 4.210 1.502 ( 3.570 0.000 -10.298) 10.899 1.844 ( 0.260 0.000 -10.314) 10.317 1.900 ( -11.444 -0.000 -6.932) 13.380 2.158 ( -8.485 -0.000 8.691) 12.146 2.169 ( -0.440 -0.000 -3.466) 3.494 2.334 ( 2.804 0.000 -6.263) 6.862 2.367 ( 2.876 0.000 -5.501) 6.208 2.545 ( 4.107 0.000 3.513) 5.405 2.604 ( -7.681 -0.000 -6.743) 10.221 2.705 ( -3.783 -0.000 3.182) 4.943 2.709 ( 5.694 0.000 -3.241) 6.551 2.964 ( -2.062 -0.000 2.955) 3.603 3.034 ( -3.393 -0.000 5.401) 6.378 3.135 ( -3.963 -0.000 5.677) 6.924 3.207 ( 0.603 0.000 -1.139) 1.289 3.249 ( 7.370 0.000 -1.024) 7.441 3.269 ( -0.687 -0.000 -0.618) 0.924 3.334 ( 9.008 0.000 -6.698) 11.226 3.527 ( 3.483 0.000 3.583) 4.997 3.543 ( -1.420 -0.000 -3.559) 3.832 3.790 ( -6.829 -0.000 -0.527) 6.850 3.870 ( 0.828 0.000 -3.935) 4.021 3.907 ( 3.990 0.000 -3.986) 5.640 3.976 ( -3.239 -0.000 -6.614) 7.365 4.154 ( 2.599 0.000 2.050) 3.310 4.225 ( -0.436 -0.000 4.573) 4.594 4.294 ( -3.613 -0.000 12.335) 12.853 4.352 ( 3.630 0.000 -3.104) 4.776 4.545 ( 3.462 0.000 -0.091) 3.463 4.594 ( -4.822 -0.000 2.520) 5.441 4.616 ( 4.934 0.000 -4.133) 6.437 4.746 ( -2.893 -0.000 6.951) 7.529 4.771 ( 1.754 0.000 0.784) 1.921 4.881 ( -9.209 -0.000 5.909) 10.942 4.946 ( -9.509 -0.000 -2.645) 9.870 4.984 ( 5.860 0.000 4.620) 7.462 5.167 ( 5.250 0.000 -0.668) 5.292 5.232 ( 6.876 0.000 -1.869) 7.125 5.351 ( 3.917 0.000 -1.411) 4.163 5.482 ( -4.602 -0.000 -2.536) 5.255 5.526 ( -1.478 -0.000 -5.651) 5.841 5.585 ( 0.086 0.000 -1.771) 1.773 5.592 ( 4.534 0.000 -0.496) 4.561 5.641 ( -0.880 -0.000 -6.208) 6.270 5.708 ( 7.528 0.000 -4.864) 8.963 6.006 ( -1.732 -0.000 0.733) 1.881 6.027 ( 6.418 0.000 5.463) 8.428 6.146 ( -8.978 -0.000 0.771) 9.011 6.221 ( -3.837 -0.000 5.006) 6.308 6.485 ( 6.428 0.000 -2.098) 6.761 6.746 ( -0.694 -0.000 0.084) 0.700 6.952 ( -3.866 -0.000 2.517) 4.614 6.973 ( 5.455 0.000 -3.905) 6.709 6.990 ( -6.426 -0.000 1.471) 6.592 7.090 ( -3.590 -0.000 6.356) 7.300 7.221 ( -2.013 -0.000 5.944) 6.275 7.265 ( 5.656 0.000 -1.476) 5.845 7.569 ( -3.229 -0.000 -0.462) 3.262 7.705 ( 1.114 0.000 -0.368) 1.173 7.817 ( 0.555 0.000 2.846) 2.900 8.084 ( 0.973 0.000 -0.438) 1.067 8.102 ( 2.033 0.000 0.426) 2.078 8.208 ( -0.506 -0.000 1.419) 1.507 8.235 ( 0.429 0.000 3.023) 3.053 9.528 ( 0.306 0.000 0.155) 0.343 9.599 ( -0.310 -0.000 -1.215) 1.254 9.720 ( -0.696 -0.000 -5.625) 5.668 9.890 ( -4.011 -0.000 -2.032) 4.496 9.931 ( 0.576 0.000 -0.057) 0.579 10.016 ( -1.726 -0.000 -1.941) 2.597 10.079 ( 6.924 0.000 -2.920) 7.514 10.128 ( 0.062 0.000 1.539) 1.540 10.367 ( -4.167 -0.000 0.656) 4.219 10.512 ( 1.655 0.000 -5.538) 5.780 10.710 ( 1.217 0.000 2.552) 2.827 10.898 ( -2.987 -0.000 1.669) 3.422 10.960 ( -0.512 -0.000 1.363) 1.457 11.068 ( -0.350 -0.000 -1.696) 1.731 11.078 ( -3.965 -0.000 2.721) 4.809 11.409 ( -0.511 -0.000 0.888) 1.024 11.433 ( 5.412 0.000 -7.684) 9.399 11.526 ( 5.203 0.000 -3.997) 6.561 16.346 ( -8.731 -0.000 11.036) 14.072 16.509 ( 12.064 0.000 2.541) 12.329 16.584 ( -1.378 -0.000 2.347) 2.721 16.859 ( -8.543 -0.000 4.134) 9.491 17.017 ( 7.735 0.000 -11.054) 13.491 17.805 ( -4.161 -0.000 -3.731) 5.588 ======================= Grid point 124 (64/100) ======================= q-point: (-0.43 -0.57 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 172 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.364 ( 2.360 0.985 -1.149) 2.803 1.451 ( 2.898 2.548 -8.396) 9.240 1.580 ( 3.309 -6.090 4.989) 8.540 1.692 ( -3.741 4.223 -6.623) 8.700 1.793 ( -0.477 -0.825 -7.359) 7.421 2.069 ( -1.602 5.833 -8.607) 10.520 2.094 ( -7.790 0.435 3.067) 8.384 2.237 ( 0.634 9.257 1.120) 9.346 2.351 ( -1.837 -1.476 -9.116) 9.416 2.486 ( -6.308 -4.514 -0.778) 7.795 2.602 ( -3.905 3.252 0.212) 5.086 2.707 ( -1.121 -4.035 5.509) 6.920 2.823 ( 10.847 -6.626 -4.146) 13.370 2.882 ( -1.321 6.351 1.202) 6.598 3.031 ( -7.024 3.925 6.768) 10.514 3.122 ( -1.348 1.678 2.383) 3.211 3.240 ( 1.388 -0.423 0.141) 1.457 3.254 ( -1.284 -0.895 -2.216) 2.713 3.343 ( 1.606 -3.822 1.802) 4.520 3.368 ( 3.690 1.710 -3.814) 5.575 3.473 ( 4.615 0.505 -1.528) 4.888 3.637 ( -4.483 -1.473 -1.067) 4.838 3.684 ( 2.205 -0.410 -1.145) 2.518 3.796 ( 0.932 3.646 -1.931) 4.230 3.928 ( 1.134 -0.009 -4.411) 4.554 3.967 ( -0.885 -5.672 -4.589) 7.350 4.198 ( 0.517 0.011 4.786) 4.814 4.279 ( 0.404 -4.941 1.946) 5.326 4.297 ( -3.287 2.952 2.719) 5.188 4.390 ( 1.815 0.796 3.694) 4.192 4.489 ( -4.737 2.716 1.121) 5.574 4.596 ( -3.478 -2.321 1.347) 4.393 4.624 ( 4.768 4.651 -3.269) 7.420 4.721 ( -9.843 -1.325 2.838) 10.329 4.767 ( -2.528 1.779 0.598) 3.148 4.841 ( -5.425 -3.541 3.293) 7.267 4.876 ( -1.651 3.141 7.404) 8.210 5.088 ( 6.598 1.935 1.671) 7.076 5.200 ( 6.585 4.255 -0.243) 7.844 5.316 ( 9.447 0.341 -4.057) 10.287 5.362 ( -2.859 2.380 1.986) 4.217 5.395 ( 1.129 1.469 -1.349) 2.292 5.476 ( -0.323 -3.197 -6.204) 6.986 5.566 ( 3.850 1.653 -6.042) 7.353 5.600 ( -2.728 -1.317 0.064) 3.030 5.695 ( 6.497 -5.735 -4.435) 9.735 5.779 ( 9.281 -2.134 -3.857) 10.274 5.926 ( -4.621 1.210 -5.887) 7.581 6.018 ( -3.787 5.937 4.242) 8.221 6.216 ( 3.497 -8.116 1.694) 8.998 6.230 ( -6.200 -3.035 6.929) 9.781 6.538 ( 7.124 2.799 0.728) 7.688 6.692 ( -3.286 4.440 -1.642) 5.763 6.890 ( -0.042 -0.002 -3.204) 3.204 6.997 ( -0.610 -4.452 0.713) 4.550 7.028 ( -0.573 -1.002 3.553) 3.736 7.115 ( -2.270 -1.408 5.454) 6.073 7.251 ( -1.406 -0.121 5.672) 5.845 7.326 ( 2.993 -2.472 -0.607) 3.929 7.523 ( -3.808 1.002 -0.916) 4.042 7.700 ( 2.151 3.014 0.874) 3.805 7.817 ( -3.191 0.734 1.827) 3.750 8.079 ( -0.296 0.947 -0.414) 1.074 8.134 ( 1.460 -0.896 0.432) 1.767 8.208 ( -0.139 1.622 1.545) 2.244 8.247 ( -0.424 0.912 1.959) 2.203 9.538 ( 0.212 -0.741 0.217) 0.801 9.577 ( -0.784 0.179 -1.867) 2.033 9.684 ( 0.236 -0.050 -2.949) 2.959 9.809 ( -4.693 0.461 -4.335) 6.406 9.937 ( 1.034 -0.008 -0.616) 1.204 9.981 ( -0.083 1.309 -0.709) 1.491 10.132 ( 2.174 -0.921 0.363) 2.389 10.157 ( 3.913 -1.264 -1.072) 4.249 10.335 ( -1.671 0.391 1.211) 2.101 10.517 ( 1.135 -3.816 -4.619) 6.098 10.754 ( 2.730 -0.336 2.388) 3.642 10.876 ( -1.169 0.394 1.619) 2.036 10.982 ( 0.460 -1.088 0.565) 1.309 11.043 ( 0.027 1.068 -1.786) 2.081 11.061 ( -3.761 -0.260 2.665) 4.617 11.358 ( 0.647 4.311 -3.153) 5.380 11.473 ( 2.828 -3.700 -3.784) 6.000 11.552 ( 5.130 -0.417 -4.274) 6.690 16.307 ( -7.516 4.128 8.717) 12.228 16.515 ( 2.141 6.049 -1.130) 6.516 16.692 ( 3.467 -2.375 7.985) 9.024 16.797 ( -7.687 0.661 3.312) 8.396 17.089 ( 7.684 -8.888 -6.868) 13.609 17.690 ( -5.356 2.499 -6.930) 9.108 ======================= Grid point 125 (65/100) ======================= q-point: (-0.29 -0.57 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 172 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.281 ( -12.912 4.074 3.895) 14.089 1.417 ( 2.717 0.211 -2.276) 3.550 1.616 ( 4.062 3.263 -2.517) 5.786 1.718 ( 1.329 -5.967 -8.546) 10.507 1.793 ( 3.684 -4.711 1.538) 6.175 1.905 ( 2.854 5.581 -1.111) 6.366 2.119 ( 4.415 -2.133 -2.546) 5.525 2.155 ( -7.666 0.024 5.887) 9.665 2.261 ( -1.850 2.170 -4.526) 5.350 2.488 ( -3.395 -1.520 2.452) 4.455 2.514 ( -5.422 -3.924 -6.685) 9.460 2.756 ( -3.438 3.211 3.017) 5.588 2.839 ( 2.148 -0.423 4.586) 5.081 2.900 ( -9.818 4.846 2.298) 11.188 3.006 ( 9.851 -4.145 -3.065) 11.119 3.063 ( 0.026 5.482 -0.311) 5.491 3.224 ( 2.819 -0.925 -4.663) 5.526 3.248 ( -3.464 2.444 -1.361) 4.453 3.332 ( -4.564 -1.444 3.710) 6.056 3.419 ( -0.045 -2.210 1.186) 2.509 3.490 ( 2.145 -0.739 -2.801) 3.605 3.622 ( 6.613 3.981 -1.784) 7.923 3.704 ( 0.097 -0.023 2.219) 2.221 3.838 ( 0.963 -4.707 -0.273) 4.812 3.865 ( -0.138 2.948 -1.230) 3.198 3.983 ( -0.888 -3.440 -3.816) 5.214 4.189 ( -4.722 2.398 -2.018) 5.668 4.242 ( -1.564 1.288 2.706) 3.381 4.345 ( -4.528 2.750 5.063) 7.328 4.389 ( -2.435 -3.437 3.674) 5.589 4.451 ( 2.644 2.812 -5.304) 6.559 4.558 ( -1.137 2.386 1.728) 3.157 4.627 ( -1.039 -4.165 0.408) 4.313 4.666 ( -6.683 2.720 4.815) 8.675 4.707 ( -6.939 -1.559 4.987) 8.687 4.855 ( -1.472 -0.731 0.632) 1.761 4.922 ( 3.087 0.225 6.547) 7.242 5.105 ( 5.981 5.363 -2.100) 8.303 5.199 ( 0.794 2.335 -0.337) 2.489 5.286 ( -2.465 2.395 -1.099) 3.608 5.353 ( 6.809 3.385 -4.678) 8.928 5.403 ( -2.882 -4.305 0.271) 5.188 5.471 ( 2.516 -1.732 -6.130) 6.849 5.585 ( -1.189 0.721 2.067) 2.491 5.625 ( 9.919 -0.713 -1.646) 10.080 5.774 ( 7.957 -2.574 -7.927) 11.523 5.813 ( -2.578 -1.142 -7.430) 7.946 5.890 ( 4.432 -2.526 -2.958) 5.897 5.971 ( -2.238 0.004 5.862) 6.274 6.253 ( -5.852 -4.620 4.261) 8.588 6.358 ( 5.125 -4.033 -1.544) 6.702 6.553 ( -0.101 5.779 2.407) 6.261 6.600 ( 4.799 5.253 -1.675) 7.309 6.864 ( 0.145 -1.162 -6.113) 6.224 7.040 ( -3.778 0.963 5.718) 6.920 7.082 ( -1.924 -4.793 5.331) 7.422 7.173 ( 1.786 -3.995 2.201) 4.898 7.280 ( -0.163 0.942 4.708) 4.804 7.369 ( -0.603 -2.383 -0.288) 2.475 7.439 ( -4.038 3.228 -1.692) 5.440 7.696 ( 0.441 2.348 1.450) 2.794 7.771 ( -2.339 2.036 1.113) 3.295 8.052 ( -1.968 0.748 -0.056) 2.106 8.135 ( -0.774 2.142 -0.023) 2.277 8.201 ( 0.856 0.705 1.228) 1.654 8.240 ( 0.320 1.700 0.434) 1.783 9.541 ( -0.700 -0.609 -0.523) 1.065 9.574 ( 0.451 -1.306 -0.359) 1.428 9.656 ( -1.932 1.015 -1.308) 2.544 9.737 ( -1.281 -0.253 -3.099) 3.363 9.949 ( 1.275 -0.780 -0.736) 1.666 9.981 ( 1.550 0.207 0.981) 1.846 10.167 ( -0.588 -2.491 0.355) 2.584 10.185 ( 2.363 1.407 -2.462) 3.692 10.359 ( 0.585 -3.225 2.155) 3.922 10.547 ( 0.803 -4.272 -4.115) 5.986 10.815 ( 2.839 -1.031 2.602) 3.987 10.886 ( -0.234 -1.555 -0.400) 1.623 11.004 ( -0.298 0.655 1.226) 1.422 11.029 ( 3.253 -0.023 -1.146) 3.449 11.046 ( -1.740 -0.029 1.578) 2.349 11.271 ( -0.917 4.295 -3.740) 5.768 11.512 ( 2.597 -1.923 -3.580) 4.823 11.578 ( 4.576 -0.639 -4.522) 6.465 16.206 ( -8.071 7.041 5.747) 12.155 16.454 ( 2.604 4.775 -2.105) 5.832 16.727 ( -6.775 2.352 4.479) 8.456 16.820 ( 0.408 -4.010 9.168) 10.014 17.268 ( 8.529 -8.564 -1.858) 12.228 17.530 ( -4.694 2.994 -8.743) 10.365 ======================= Grid point 126 (66/100) ======================= q-point: (-0.14 -0.57 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 172 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.196 ( -12.847 -3.563 19.641) 23.738 1.406 ( 0.273 -0.740 -5.732) 5.786 1.631 ( 5.438 1.575 -1.282) 5.805 1.680 ( 1.433 -5.609 -10.383) 11.888 1.918 ( -4.430 -4.212 -1.125) 6.215 1.972 ( 11.178 1.305 0.970) 11.296 2.135 ( -4.788 -9.135 5.239) 11.568 2.184 ( 1.728 2.843 -5.623) 6.533 2.243 ( 1.771 -4.870 5.715) 7.714 2.472 ( -1.616 2.514 2.708) 4.033 2.507 ( -5.358 -3.327 -1.888) 6.583 2.632 ( -2.945 3.529 -3.044) 5.513 2.788 ( -1.724 3.165 0.015) 3.604 2.920 ( -2.507 -2.386 1.921) 3.958 3.009 ( -1.183 -0.406 7.476) 7.580 3.085 ( -1.873 -2.681 -4.580) 5.628 3.153 ( 0.627 2.473 -5.131) 5.731 3.239 ( 3.729 0.147 -1.967) 4.218 3.364 ( -1.949 -2.336 3.888) 4.937 3.412 ( 0.535 2.006 0.375) 2.109 3.507 ( 0.993 -2.769 -2.740) 4.021 3.659 ( 9.189 3.910 1.735) 10.136 3.698 ( 1.276 6.529 2.310) 7.043 3.787 ( -1.161 -0.291 -0.759) 1.418 3.944 ( -1.551 -1.733 2.397) 3.340 3.980 ( -3.162 -4.752 -2.428) 6.202 4.123 ( 0.741 2.696 -1.020) 2.977 4.145 ( -5.977 4.042 -1.499) 7.370 4.308 ( -4.100 2.288 -0.639) 4.739 4.382 ( -1.777 0.584 3.375) 3.858 4.413 ( 0.056 2.164 1.064) 2.412 4.553 ( 3.853 5.052 1.987) 6.657 4.593 ( -5.621 -0.059 1.644) 5.857 4.695 ( -4.563 -6.248 7.188) 10.561 4.741 ( -3.430 -4.455 3.123) 6.432 4.861 ( 0.984 -1.982 -2.707) 3.497 5.000 ( 1.435 2.125 3.643) 4.455 5.063 ( 2.357 2.266 -1.054) 3.435 5.151 ( -4.917 -1.483 0.273) 5.143 5.244 ( 1.529 0.438 -5.859) 6.071 5.343 ( 6.653 2.952 -4.249) 8.428 5.426 ( -1.568 -2.891 -1.913) 3.805 5.474 ( -3.170 -3.212 -0.494) 4.540 5.594 ( 1.839 1.441 0.799) 2.469 5.681 ( 7.751 3.098 -3.598) 9.089 5.772 ( 1.137 -0.805 -6.371) 6.522 5.869 ( 7.241 -6.411 -3.662) 10.341 5.888 ( 2.044 3.176 2.046) 4.295 6.045 ( -1.564 -4.694 0.320) 4.958 6.286 ( -5.095 -5.029 1.961) 7.423 6.392 ( 7.135 3.251 -6.926) 10.462 6.495 ( -1.064 2.342 3.284) 4.172 6.571 ( 5.970 8.851 -0.916) 10.715 6.837 ( 0.151 -2.326 -5.501) 5.975 7.015 ( -5.148 1.968 5.026) 7.459 7.128 ( -6.064 -1.456 6.930) 9.323 7.237 ( -1.499 0.244 1.107) 1.880 7.337 ( 2.078 0.301 3.798) 4.339 7.347 ( 0.328 1.535 0.427) 1.627 7.374 ( -1.092 -1.821 -1.477) 2.587 7.662 ( -2.131 1.239 0.801) 2.592 7.755 ( 1.411 1.751 1.194) 2.547 8.019 ( -3.251 -0.209 -0.089) 3.259 8.095 ( 0.509 3.150 0.910) 3.318 8.201 ( 0.196 1.566 -1.377) 2.095 8.227 ( 0.670 0.843 0.546) 1.207 9.551 ( -0.188 -1.897 0.179) 1.914 9.591 ( 0.023 -1.097 -0.347) 1.151 9.611 ( -1.682 0.678 -0.687) 1.940 9.740 ( 1.350 -1.671 0.318) 2.172 9.976 ( 1.812 -1.210 -0.344) 2.206 10.011 ( 1.783 -0.230 1.300) 2.219 10.142 ( -0.819 2.177 -2.440) 3.371 10.184 ( -0.690 -1.500 -1.359) 2.138 10.435 ( -2.823 -6.020 2.194) 7.001 10.567 ( 0.907 -2.195 -4.409) 5.008 10.860 ( -1.135 0.087 2.007) 2.308 10.915 ( 2.672 -3.759 -1.981) 5.020 10.966 ( -4.301 2.668 2.260) 5.543 11.049 ( 1.477 0.094 0.575) 1.588 11.111 ( 7.797 -2.229 -0.901) 8.159 11.187 ( -1.103 1.520 -2.887) 3.444 11.518 ( 2.243 0.664 -3.751) 4.421 11.588 ( 3.425 0.490 -4.506) 5.681 16.067 ( -7.244 5.345 3.257) 9.573 16.421 ( 4.046 4.525 0.019) 6.070 16.655 ( -7.707 0.320 2.162) 8.011 16.951 ( 1.488 -0.461 12.042) 12.142 17.343 ( 1.718 5.251 -7.619) 9.411 17.489 ( 3.755 -8.965 -0.890) 9.760 ======================= Grid point 131 (67/100) ======================= q-point: (-0.43 -0.43 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.348 ( -4.379 -0.000 -9.048) 10.052 1.431 ( 1.322 0.000 -9.976) 10.063 1.500 ( -1.907 -0.000 -1.333) 2.327 1.715 ( 1.518 0.000 10.647) 10.755 1.765 ( 4.832 0.000 -10.756) 11.791 2.016 ( -1.467 -0.000 -7.040) 7.191 2.041 ( -5.591 -0.000 6.248) 8.384 2.232 ( -9.206 -0.000 -8.934) 12.828 2.325 ( 1.925 0.000 -8.716) 8.926 2.336 ( -0.422 -0.000 -0.404) 0.584 2.571 ( -8.836 -0.000 0.143) 8.837 2.696 ( -3.845 -0.000 10.634) 11.308 2.910 ( 13.314 0.000 -0.875) 13.343 2.928 ( 0.066 0.000 -2.194) 2.195 3.006 ( -9.171 -0.000 6.741) 11.382 3.112 ( -7.010 -0.000 1.372) 7.143 3.213 ( -2.508 -0.000 7.317) 7.735 3.267 ( -1.911 -0.000 -3.676) 4.143 3.342 ( 3.014 0.000 -2.510) 3.922 3.417 ( 1.561 0.000 0.510) 1.642 3.480 ( -2.455 -0.000 -1.011) 2.656 3.599 ( 12.637 0.000 -0.403) 12.644 3.781 ( 5.787 0.000 -2.412) 6.269 3.826 ( 3.515 0.000 -7.099) 7.921 3.849 ( -0.861 -0.000 -3.489) 3.594 3.909 ( 1.419 0.000 -2.276) 2.682 4.214 ( -4.183 -0.000 4.247) 5.961 4.262 ( 2.588 0.000 3.828) 4.621 4.283 ( -10.782 -0.000 -0.721) 10.806 4.363 ( -1.075 -0.000 -0.903) 1.404 4.484 ( -6.711 -0.000 0.233) 6.715 4.525 ( -5.111 -0.000 4.091) 6.547 4.643 ( -5.785 -0.000 4.215) 7.158 4.696 ( 2.535 0.000 -1.216) 2.812 4.756 ( -5.318 -0.000 2.897) 6.056 4.837 ( 4.138 0.000 3.186) 5.222 4.923 ( -3.397 -0.000 7.426) 8.166 5.198 ( 3.963 0.000 0.269) 3.972 5.305 ( -5.381 -0.000 -1.852) 5.691 5.342 ( 0.171 0.000 -4.719) 4.722 5.344 ( 11.728 0.000 0.111) 11.729 5.399 ( -3.300 -0.000 0.525) 3.341 5.456 ( 9.036 0.000 -4.157) 9.946 5.529 ( -6.938 -0.000 -0.702) 6.973 5.610 ( 12.257 0.000 -7.576) 14.409 5.656 ( 0.251 0.000 -1.294) 1.318 5.844 ( 3.038 0.000 -10.502) 10.932 5.862 ( 10.900 0.000 -3.557) 11.466 6.040 ( -6.250 -0.000 4.757) 7.854 6.170 ( -8.444 -0.000 5.876) 10.287 6.269 ( 7.534 0.000 5.105) 9.101 6.651 ( -6.001 -0.000 -2.419) 6.470 6.663 ( 8.548 0.000 2.933) 9.037 6.838 ( -0.730 -0.000 -6.393) 6.435 6.984 ( -0.074 -0.000 6.636) 6.636 7.068 ( 3.299 0.000 0.281) 3.311 7.120 ( -1.182 -0.000 3.017) 3.240 7.278 ( -1.742 -0.000 5.807) 6.063 7.329 ( 0.742 0.000 -0.592) 0.949 7.475 ( -4.697 -0.000 -1.076) 4.818 7.761 ( 1.988 0.000 2.248) 3.000 7.781 ( -5.575 -0.000 1.515) 5.777 8.075 ( -1.729 -0.000 -0.607) 1.833 8.137 ( 0.568 0.000 -0.375) 0.680 8.242 ( 0.582 0.000 2.553) 2.618 8.252 ( -1.630 -0.000 1.211) 2.031 9.539 ( 0.400 0.000 0.205) 0.449 9.550 ( -0.826 -0.000 -1.739) 1.925 9.675 ( 0.055 0.000 -0.393) 0.397 9.729 ( -3.603 -0.000 -4.259) 5.579 9.940 ( 1.402 0.000 -1.631) 2.151 9.990 ( 0.353 0.000 0.300) 0.463 10.125 ( -0.712 -0.000 0.143) 0.726 10.192 ( 6.225 0.000 -4.241) 7.533 10.324 ( -1.556 -0.000 0.755) 1.729 10.484 ( 2.710 0.000 -3.551) 4.467 10.799 ( 2.420 0.000 2.448) 3.442 10.866 ( -1.368 -0.000 0.588) 1.489 11.004 ( 2.182 0.000 1.444) 2.617 11.039 ( 1.377 0.000 -2.435) 2.797 11.041 ( -3.621 -0.000 2.999) 4.701 11.406 ( -0.813 -0.000 0.450) 0.929 11.409 ( 3.689 0.000 -7.682) 8.521 11.567 ( 4.560 0.000 -4.636) 6.503 16.371 ( -4.542 -0.000 13.495) 14.239 16.507 ( -6.118 -0.000 -1.454) 6.288 16.628 ( -5.448 -0.000 -0.537) 5.475 16.972 ( 6.398 0.000 14.094) 15.478 17.007 ( 5.375 0.000 -7.365) 9.117 17.583 ( -4.404 -0.000 -9.993) 10.921 ======================= Grid point 132 (68/100) ======================= q-point: (-0.29 -0.43 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 172 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.163 ( -14.260 -0.627 -1.314) 14.334 1.355 ( -7.431 -3.413 -6.704) 10.575 1.560 ( 3.902 -1.640 -2.946) 5.157 1.707 ( 5.581 1.116 -9.093) 10.727 1.814 ( 0.236 -1.588 8.800) 8.945 1.930 ( -4.091 2.836 -0.090) 4.979 2.082 ( 1.271 -2.619 -7.583) 8.123 2.137 ( 0.626 -0.912 7.258) 7.342 2.269 ( -3.444 -4.822 -8.764) 10.579 2.322 ( 2.809 1.675 -1.935) 3.800 2.512 ( -2.919 -0.585 3.168) 4.347 2.705 ( -18.409 -4.607 8.892) 20.956 2.839 ( -3.259 6.837 2.778) 8.068 2.936 ( -6.148 1.130 1.335) 6.392 3.026 ( -2.027 3.497 -0.862) 4.133 3.091 ( 5.779 -2.990 3.162) 7.234 3.190 ( -3.394 1.418 -4.286) 5.648 3.264 ( 0.116 -3.729 1.709) 4.103 3.293 ( 4.103 5.772 -3.709) 7.994 3.429 ( 2.482 0.182 0.404) 2.521 3.526 ( 2.267 -1.144 -1.327) 2.865 3.680 ( 2.025 0.211 -0.059) 2.037 3.780 ( 9.357 3.954 0.126) 10.159 3.817 ( 1.885 -0.675 -2.386) 3.115 3.899 ( 1.783 2.235 -2.510) 3.805 3.902 ( 1.918 -5.810 -5.381) 8.148 4.141 ( -6.056 2.563 1.616) 6.772 4.225 ( -3.292 -2.144 3.698) 5.395 4.328 ( -5.509 -2.987 3.356) 7.108 4.362 ( -6.728 2.654 1.947) 7.490 4.408 ( 0.653 -5.758 0.026) 5.794 4.519 ( -7.478 -2.567 4.214) 8.959 4.615 ( 0.021 1.697 -2.024) 2.642 4.673 ( -3.288 2.794 4.023) 5.899 4.718 ( 0.292 3.799 1.515) 4.100 4.918 ( 6.275 2.255 1.321) 6.797 4.931 ( -3.276 -2.480 3.014) 5.096 5.168 ( 0.614 2.967 -5.232) 6.046 5.214 ( -8.256 3.780 2.914) 9.536 5.306 ( -2.667 0.335 -1.663) 3.161 5.368 ( 0.503 -1.612 -2.708) 3.192 5.390 ( 1.380 1.423 -2.022) 2.831 5.463 ( 2.035 3.804 -0.036) 4.314 5.577 ( 9.715 -3.722 -3.112) 10.859 5.686 ( 4.496 -2.638 -0.381) 5.227 5.734 ( 6.872 -6.313 -3.351) 9.915 5.819 ( 10.598 4.131 -8.874) 14.427 5.924 ( 6.754 1.514 -2.911) 7.509 5.990 ( -2.813 3.011 2.093) 4.622 6.153 ( -8.681 -4.411 5.969) 11.421 6.399 ( 6.839 -1.964 2.208) 7.450 6.565 ( -3.510 1.405 -1.580) 4.097 6.763 ( 9.405 4.306 2.607) 10.667 6.781 ( -1.052 -1.129 -7.289) 7.450 7.021 ( -7.090 -0.579 7.018) 9.993 7.098 ( 1.197 0.122 1.342) 1.802 7.166 ( 4.256 -3.105 0.557) 5.297 7.306 ( -1.907 -0.442 4.088) 4.532 7.332 ( -0.714 -2.002 0.459) 2.175 7.407 ( -4.332 0.968 -1.360) 4.642 7.719 ( -4.501 2.257 2.133) 5.468 7.790 ( 0.086 0.535 2.011) 2.083 8.032 ( -4.042 0.802 -0.354) 4.136 8.139 ( 0.220 -0.089 -0.832) 0.865 8.228 ( -0.976 1.493 0.854) 1.978 8.262 ( -0.405 0.675 1.609) 1.791 9.528 ( -0.305 0.373 -0.504) 0.697 9.559 ( 0.449 -1.354 0.076) 1.428 9.645 ( -1.873 1.781 -1.137) 2.824 9.697 ( -0.854 -1.864 -0.466) 2.103 9.947 ( 1.828 -0.579 -1.468) 2.414 10.004 ( 1.142 -0.353 0.804) 1.441 10.131 ( -0.114 -1.414 -0.564) 1.527 10.194 ( 1.705 0.986 -5.470) 5.814 10.328 ( -0.915 -2.077 -0.030) 2.270 10.505 ( 3.526 -1.853 -3.106) 5.051 10.847 ( 1.698 -0.938 2.452) 3.126 10.862 ( -0.418 -0.210 -0.174) 0.499 11.013 ( -4.155 0.895 3.848) 5.734 11.045 ( 2.146 -0.194 -1.047) 2.395 11.060 ( 4.856 -1.360 -0.630) 5.082 11.303 ( -0.470 6.548 -3.692) 7.532 11.467 ( 2.146 -4.718 -3.796) 6.425 11.578 ( 3.632 -0.610 -4.757) 6.016 16.286 ( -7.265 10.883 4.246) 13.757 16.517 ( 0.731 -0.749 5.347) 5.448 16.581 ( -8.134 -3.250 0.110) 8.760 16.990 ( 5.149 2.475 6.449) 8.615 17.223 ( 4.663 -8.838 6.656) 12.006 17.448 ( -1.400 2.043 -11.184) 11.455 ======================= Grid point 133 (69/100) ======================= q-point: (-0.14 -0.43 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 172 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.111 ( -15.205 -7.775 17.603) 24.526 1.293 ( -6.899 -9.085 -6.475) 13.117 1.507 ( 0.178 0.283 -9.430) 9.436 1.703 ( 4.553 3.592 -3.066) 6.560 1.788 ( -8.000 0.572 -3.061) 8.585 2.034 ( -0.948 -7.123 4.932) 8.716 2.096 ( 7.766 -2.191 0.516) 8.086 2.140 ( 0.351 -2.421 -5.307) 5.844 2.299 ( 0.714 -0.361 4.732) 4.799 2.402 ( 5.135 -4.981 -0.449) 7.168 2.517 ( -12.913 0.440 7.655) 15.018 2.584 ( -9.220 -3.890 1.506) 10.120 2.758 ( -5.056 2.454 4.352) 7.108 2.869 ( -6.840 -0.601 3.651) 7.777 2.951 ( -0.769 2.605 -2.759) 3.872 3.089 ( -5.386 0.660 -4.725) 7.195 3.171 ( 3.932 2.081 3.846) 5.881 3.274 ( 4.952 0.685 -3.970) 6.384 3.363 ( 7.757 -2.932 -0.265) 8.296 3.433 ( 2.387 1.120 -2.947) 3.954 3.538 ( 2.720 2.670 -0.054) 3.812 3.710 ( -4.093 -2.648 3.065) 5.758 3.783 ( -1.366 0.692 1.773) 2.343 3.843 ( 6.799 3.964 -0.593) 7.893 3.861 ( 0.347 -0.706 -2.734) 2.845 3.966 ( 2.828 -2.429 -1.022) 3.865 4.100 ( -2.452 1.431 -3.395) 4.425 4.167 ( -3.397 4.073 3.022) 6.104 4.311 ( -5.993 3.877 2.448) 7.546 4.326 ( -4.217 -5.460 3.521) 7.745 4.480 ( 1.208 2.372 1.600) 3.106 4.500 ( -6.809 -4.664 4.162) 9.243 4.583 ( 1.029 -1.881 -3.256) 3.899 4.677 ( -5.281 -4.254 7.372) 10.017 4.709 ( 5.430 2.585 -0.235) 6.018 4.894 ( 2.092 4.444 -1.985) 5.298 4.983 ( -0.196 -2.172 -2.834) 3.576 5.083 ( -4.038 2.590 1.302) 4.971 5.122 ( 0.354 1.049 -3.134) 3.324 5.246 ( -3.399 2.704 0.956) 4.447 5.368 ( 0.855 -1.867 -5.785) 6.139 5.399 ( -1.518 -1.583 1.037) 2.426 5.446 ( 3.518 3.597 1.589) 5.277 5.667 ( 6.871 4.223 -2.985) 8.600 5.732 ( 2.597 -1.929 -2.376) 4.014 5.822 ( 10.214 5.209 -4.001) 12.144 5.847 ( 4.648 -3.093 -2.620) 6.167 5.931 ( -1.932 -0.655 0.435) 2.086 6.001 ( 7.619 -1.555 -2.819) 8.271 6.174 ( -5.163 -5.155 3.244) 7.985 6.475 ( 6.893 4.068 -5.418) 9.665 6.526 ( -1.021 -0.810 3.475) 3.712 6.702 ( 0.063 2.346 -6.539) 6.947 6.807 ( 5.097 4.506 0.919) 6.864 6.975 ( -8.782 -0.514 4.894) 10.066 7.122 ( -1.595 -0.969 3.261) 3.757 7.218 ( -2.739 -0.172 1.435) 3.097 7.319 ( -0.773 -2.929 -0.931) 3.169 7.344 ( -1.240 0.540 -2.517) 2.857 7.409 ( 3.454 -2.001 5.587) 6.866 7.666 ( -2.378 1.639 1.428) 3.222 7.789 ( -1.138 0.897 2.099) 2.551 7.972 ( -4.758 -0.092 -0.284) 4.768 8.134 ( 0.685 0.849 0.205) 1.110 8.203 ( -1.013 1.163 -0.620) 1.663 8.247 ( -0.905 1.433 0.739) 1.849 9.527 ( -0.030 -1.099 -0.225) 1.122 9.583 ( 0.750 -0.873 0.564) 1.282 9.605 ( -0.842 1.041 -0.161) 1.348 9.734 ( 0.803 -2.950 2.250) 3.796 9.969 ( 1.362 -1.328 -1.227) 2.264 10.032 ( 1.415 -0.684 0.036) 1.573 10.121 ( -1.760 0.552 -2.688) 3.260 10.152 ( 0.000 -0.459 -2.695) 2.734 10.338 ( -3.726 -3.445 -0.941) 5.161 10.548 ( 4.075 -1.252 -2.589) 4.988 10.853 ( -0.049 0.486 -0.883) 1.010 10.900 ( 0.826 -2.197 2.100) 3.149 10.971 ( -4.740 2.323 3.077) 6.110 11.071 ( 2.222 -0.115 -0.210) 2.235 11.145 ( 6.414 -2.963 -1.626) 7.250 11.187 ( -1.801 4.435 -1.958) 5.172 11.507 ( 2.912 -2.065 -4.414) 5.677 11.583 ( 2.182 -0.579 -4.351) 4.902 16.107 ( -5.758 7.707 2.397) 9.915 16.509 ( -5.803 1.908 1.491) 6.288 16.566 ( 1.232 0.490 1.984) 2.386 17.116 ( 3.539 0.295 11.391) 11.932 17.317 ( 0.359 1.507 -8.140) 8.286 17.436 ( 5.258 -7.146 2.097) 9.116 ======================= Grid point 139 (70/100) ======================= q-point: (-0.29 -0.29 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.979 ( -12.743 -0.000 0.292) 12.746 1.166 ( -18.348 -0.000 4.269) 18.839 1.650 ( 3.277 0.000 -10.017) 10.539 1.655 ( 6.650 0.000 3.029) 7.307 1.874 ( -9.770 -0.000 -5.513) 11.218 1.881 ( -0.037 -0.000 9.124) 9.124 1.991 ( 1.278 0.000 -4.702) 4.873 2.174 ( -2.927 -0.000 -5.917) 6.602 2.241 ( 3.616 0.000 10.975) 11.555 2.321 ( 3.670 0.000 -2.006) 4.182 2.501 ( -25.268 -0.000 11.856) 27.911 2.508 ( 0.432 0.000 1.837) 1.887 2.800 ( -10.294 -0.000 -0.482) 10.306 2.920 ( -1.606 -0.000 -0.120) 1.610 3.053 ( -0.495 -0.000 1.986) 2.047 3.117 ( -1.189 -0.000 2.650) 2.904 3.150 ( -4.965 -0.000 -2.949) 5.774 3.284 ( 11.601 0.000 -2.875) 11.951 3.359 ( 2.028 0.000 -0.422) 2.072 3.466 ( 2.435 0.000 0.597) 2.508 3.521 ( 5.762 0.000 -1.256) 5.897 3.704 ( -4.352 -0.000 -8.414) 9.473 3.751 ( 2.998 0.000 -3.355) 4.499 3.834 ( -0.093 -0.000 1.914) 1.917 3.918 ( 8.041 0.000 -0.870) 8.088 3.957 ( 4.025 0.000 -1.461) 4.282 4.125 ( -6.580 -0.000 4.425) 7.929 4.215 ( 0.098 0.000 2.211) 2.213 4.221 ( -9.225 -0.000 1.927) 9.424 4.314 ( -5.683 -0.000 0.090) 5.684 4.412 ( 1.113 0.000 5.126) 5.245 4.471 ( -6.190 -0.000 6.767) 9.171 4.591 ( -0.335 -0.000 -4.380) 4.393 4.700 ( 0.513 0.000 -1.322) 1.418 4.788 ( 5.166 0.000 -0.339) 5.178 4.870 ( -4.376 -0.000 -0.667) 4.426 5.015 ( 5.044 0.000 2.035) 5.439 5.137 ( -2.832 -0.000 -3.797) 4.737 5.177 ( -4.053 -0.000 -0.627) 4.101 5.288 ( -3.936 -0.000 -4.699) 6.130 5.309 ( -4.733 -0.000 2.040) 5.154 5.335 ( 0.835 0.000 4.400) 4.479 5.573 ( -1.986 -0.000 -0.479) 2.043 5.662 ( 8.036 0.000 -0.113) 8.037 5.677 ( 14.186 0.000 -1.289) 14.245 5.796 ( 8.719 0.000 -2.036) 8.953 5.898 ( 8.172 0.000 -7.068) 10.805 5.973 ( -1.955 -0.000 -1.062) 2.225 6.002 ( 4.499 0.000 -2.517) 5.156 6.099 ( 0.259 0.000 2.387) 2.401 6.449 ( -1.110 -0.000 6.876) 6.965 6.553 ( 3.580 0.000 -3.176) 4.786 6.704 ( -0.052 -0.000 -9.182) 9.183 6.925 ( 9.903 0.000 3.040) 10.359 6.960 ( -10.063 -0.000 1.894) 10.240 7.119 ( 0.089 0.000 0.820) 0.825 7.194 ( 3.189 0.000 0.261) 3.199 7.280 ( -3.030 -0.000 -1.360) 3.321 7.344 ( 0.016 0.000 7.543) 7.543 7.355 ( -4.040 -0.000 -1.004) 4.163 7.707 ( -3.027 -0.000 1.835) 3.540 7.799 ( -2.187 -0.000 1.823) 2.847 7.975 ( -5.964 -0.000 -0.632) 5.997 8.135 ( 0.580 0.000 -0.738) 0.939 8.226 ( -1.928 -0.000 0.619) 2.025 8.270 ( -1.564 -0.000 1.378) 2.084 9.532 ( 0.292 0.000 -0.327) 0.438 9.559 ( 0.908 0.000 1.569) 1.813 9.630 ( -0.629 -0.000 -2.381) 2.463 9.675 ( -2.098 -0.000 3.299) 3.910 9.952 ( 1.856 0.000 -1.125) 2.170 10.016 ( 0.784 0.000 0.455) 0.906 10.123 ( 1.166 0.000 -1.382) 1.808 10.149 ( -0.961 -0.000 -8.130) 8.187 10.296 ( -2.179 -0.000 -0.269) 2.196 10.516 ( 4.515 0.000 -1.947) 4.917 10.868 ( 1.216 0.000 -0.080) 1.219 10.872 ( 0.006 0.000 2.858) 2.858 10.999 ( -5.033 -0.000 4.061) 6.467 11.069 ( 4.115 0.000 -1.673) 4.442 11.094 ( 4.249 0.000 -0.353) 4.263 11.355 ( 2.568 0.000 -7.078) 7.530 11.386 ( -1.156 -0.000 -0.133) 1.163 11.567 ( 2.229 0.000 -4.825) 5.315 16.303 ( -7.815 -0.000 -2.866) 8.324 16.456 ( -5.455 -0.000 4.608) 7.140 16.643 ( 4.417 0.000 9.256) 10.256 17.019 ( 3.566 0.000 -4.816) 5.993 17.325 ( 1.751 0.000 17.290) 17.379 17.377 ( 2.258 0.000 -9.991) 10.243 ======================= Grid point 140 (71/100) ======================= q-point: (-0.14 -0.29 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 172 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.971 ( -11.153 -10.295 13.414) 20.256 1.041 ( -18.339 -3.537 11.999) 22.200 1.552 ( 4.111 8.002 -5.150) 10.366 1.696 ( -8.882 2.474 -2.836) 9.646 1.758 ( 5.042 -0.141 -2.937) 5.837 1.985 ( -3.597 -5.215 5.858) 8.629 2.005 ( -14.123 -11.738 7.052) 19.672 2.119 ( 4.536 -1.440 -3.391) 5.843 2.287 ( -10.185 3.612 5.336) 12.052 2.367 ( -1.578 2.159 4.903) 5.585 2.421 ( 1.851 -2.579 4.865) 5.809 2.564 ( 2.991 -3.928 0.683) 4.984 2.731 ( -3.859 -3.500 3.756) 6.423 2.872 ( -7.554 -2.531 -1.415) 8.091 2.989 ( 0.701 12.274 1.287) 12.361 3.028 ( -2.406 0.789 -2.347) 3.452 3.198 ( 2.404 -3.692 -0.232) 4.412 3.327 ( 4.583 3.222 -3.193) 6.449 3.392 ( 2.060 0.256 -0.160) 2.081 3.503 ( 7.555 0.855 0.178) 7.606 3.585 ( 3.139 1.112 -2.526) 4.179 3.635 ( -2.764 -5.177 -0.994) 5.952 3.755 ( 0.209 0.992 -0.262) 1.047 3.857 ( -1.868 -1.303 0.085) 2.279 3.924 ( 0.827 2.876 -2.371) 3.818 3.956 ( 1.018 -1.588 -1.753) 2.576 4.057 ( -5.917 1.393 -1.242) 6.204 4.180 ( -4.720 -1.671 2.343) 5.528 4.237 ( -1.355 -0.516 2.848) 3.196 4.326 ( 0.281 -3.583 3.626) 5.105 4.395 ( -10.064 0.669 6.501) 11.999 4.522 ( 5.043 -2.219 -0.159) 5.512 4.593 ( 3.053 -3.790 -3.519) 6.006 4.654 ( -0.148 5.424 -0.613) 5.461 4.804 ( 2.451 4.006 1.928) 5.077 4.838 ( -3.008 -2.925 -2.881) 5.089 5.046 ( 4.057 6.087 -3.395) 8.064 5.083 ( 0.379 1.075 -0.241) 1.165 5.121 ( -0.958 0.475 -0.026) 1.069 5.266 ( -0.816 -1.578 0.997) 2.038 5.286 ( -1.453 -0.479 1.467) 2.120 5.399 ( 0.939 -0.370 3.761) 3.895 5.516 ( -4.212 1.754 3.039) 5.482 5.763 ( 6.150 2.474 -1.631) 6.827 5.787 ( 10.438 2.592 -5.175) 11.935 5.824 ( -1.185 -0.632 -2.267) 2.635 5.891 ( 0.244 -1.465 2.804) 3.173 5.937 ( 4.232 1.846 -5.743) 7.369 6.080 ( 11.969 1.048 -5.556) 13.237 6.128 ( 3.405 -1.256 -0.797) 3.716 6.521 ( -0.957 -2.579 5.906) 6.515 6.550 ( 4.501 3.161 -4.367) 7.023 6.628 ( -0.485 -0.639 -9.228) 9.263 6.846 ( -9.482 -0.094 -0.678) 9.506 7.022 ( 7.343 3.903 3.625) 9.072 7.106 ( -2.940 0.617 0.984) 3.161 7.208 ( -2.438 0.416 2.099) 3.244 7.257 ( -0.810 -3.214 -2.268) 4.016 7.307 ( -2.946 0.153 -0.984) 3.109 7.448 ( 3.148 -3.858 4.738) 6.873 7.673 ( -2.328 2.209 0.766) 3.300 7.779 ( -4.035 -0.569 1.471) 4.332 7.912 ( -4.641 -0.541 0.223) 4.678 8.141 ( 0.825 -0.372 -0.430) 1.002 8.201 ( -2.452 0.891 0.813) 2.733 8.249 ( -2.175 0.767 0.058) 2.307 9.525 ( 0.216 0.776 0.058) 0.807 9.605 ( 2.462 0.014 3.053) 3.922 9.611 ( 0.378 0.319 -0.065) 0.499 9.714 ( -0.349 -4.266 4.030) 5.879 9.963 ( 0.648 0.303 -0.906) 1.154 10.011 ( -1.188 -0.845 -4.946) 5.156 10.083 ( -1.655 -0.935 -0.131) 1.906 10.126 ( 0.989 -0.348 -2.161) 2.402 10.272 ( -2.916 -0.576 0.375) 2.996 10.570 ( 5.426 -1.156 -1.040) 5.644 10.871 ( 1.620 1.268 -0.324) 2.083 10.898 ( -1.187 -1.071 2.932) 3.339 10.966 ( -5.073 1.121 2.941) 5.970 11.095 ( 2.739 0.538 -1.055) 2.984 11.156 ( 4.619 -2.545 -1.489) 5.480 11.235 ( -1.312 7.798 -1.855) 8.122 11.451 ( 2.240 -5.902 -3.986) 7.466 11.553 ( 0.706 -0.957 -4.153) 4.320 16.154 ( -5.464 6.410 -0.288) 8.428 16.442 ( -5.026 -0.112 3.293) 6.010 16.692 ( 4.342 5.948 0.507) 7.382 17.079 ( 1.911 -7.893 -6.854) 10.626 17.369 ( 6.902 -0.669 -3.327) 7.691 17.452 ( -1.694 0.396 12.549) 12.669 ======================= Grid point 147 (72/100) ======================= q-point: (-0.14 -0.14 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.901 ( -14.016 -0.000 20.243) 24.622 0.996 ( -13.530 -0.000 24.160) 27.691 1.601 ( -3.290 -0.000 -2.023) 3.862 1.678 ( -22.195 -0.000 15.363) 26.993 1.682 ( 4.841 0.000 -1.124) 4.969 1.810 ( -0.701 -0.000 5.310) 5.356 2.006 ( 1.407 0.000 1.519) 2.071 2.152 ( 2.304 0.000 -0.739) 2.419 2.323 ( -4.343 -0.000 5.377) 6.911 2.405 ( 4.252 0.000 -0.670) 4.305 2.470 ( -1.427 -0.000 5.879) 6.050 2.531 ( 0.211 0.000 -0.852) 0.878 2.715 ( 0.358 0.000 7.270) 7.279 2.736 ( -6.204 -0.000 -2.988) 6.886 2.995 ( -0.804 -0.000 -1.754) 1.930 3.136 ( 5.266 0.000 -1.941) 5.613 3.194 ( 0.965 0.000 4.744) 4.841 3.380 ( -1.898 -0.000 -0.382) 1.936 3.400 ( 2.589 0.000 -3.812) 4.608 3.538 ( -1.723 -0.000 -1.253) 2.130 3.578 ( 5.639 0.000 1.460) 5.825 3.612 ( 2.521 0.000 -5.433) 5.989 3.782 ( 3.606 0.000 -3.923) 5.328 3.829 ( -4.258 -0.000 4.644) 6.301 3.867 ( -6.160 -0.000 -4.491) 7.624 3.905 ( 0.504 0.000 -6.201) 6.222 4.000 ( -5.883 -0.000 1.450) 6.058 4.140 ( -6.299 -0.000 4.683) 7.849 4.244 ( 2.488 0.000 -0.309) 2.507 4.356 ( -6.211 -0.000 4.955) 7.945 4.372 ( 5.334 0.000 4.725) 7.126 4.532 ( -2.196 -0.000 -0.355) 2.224 4.564 ( 7.196 0.000 -7.157) 10.150 4.721 ( 3.705 0.000 -0.829) 3.797 4.726 ( -6.365 -0.000 -0.676) 6.401 4.918 ( 4.051 0.000 3.199) 5.162 5.052 ( 0.495 0.000 -5.168) 5.192 5.104 ( -1.238 -0.000 1.460) 1.914 5.180 ( 6.529 0.000 1.731) 6.755 5.226 ( 1.413 0.000 1.240) 1.880 5.353 ( 2.910 0.000 6.856) 7.448 5.455 ( -1.959 -0.000 7.292) 7.551 5.474 ( -5.930 -0.000 3.100) 6.691 5.777 ( -1.346 -0.000 -3.904) 4.129 5.820 ( -5.644 -0.000 3.695) 6.746 5.873 ( 9.037 0.000 -8.232) 12.224 5.892 ( 8.265 0.000 -3.810) 9.101 5.966 ( 5.010 0.000 -2.817) 5.748 6.134 ( 2.042 0.000 -4.910) 5.318 6.195 ( 14.970 0.000 -7.821) 16.890 6.490 ( -8.257 -0.000 -1.813) 8.454 6.541 ( 1.404 0.000 -11.211) 11.299 6.609 ( 3.127 0.000 4.568) 5.536 6.728 ( -6.405 -0.000 -2.664) 6.936 7.032 ( -6.908 -0.000 -0.278) 6.914 7.178 ( 7.581 0.000 -4.124) 8.630 7.198 ( -2.624 -0.000 1.541) 3.043 7.203 ( -2.247 -0.000 1.445) 2.672 7.285 ( -1.145 -0.000 2.263) 2.536 7.464 ( 1.507 0.000 0.869) 1.740 7.673 ( -2.852 -0.000 0.603) 2.915 7.720 ( -5.105 -0.000 -0.176) 5.108 7.879 ( -2.136 -0.000 2.220) 3.081 8.144 ( 0.704 0.000 -0.424) 0.822 8.180 ( -3.462 -0.000 1.035) 3.613 8.225 ( -2.120 -0.000 -0.876) 2.294 9.541 ( 0.891 0.000 0.084) 0.895 9.619 ( 1.411 0.000 -0.199) 1.425 9.685 ( -2.771 -0.000 3.853) 4.746 9.708 ( 5.485 0.000 4.325) 6.985 9.931 ( -1.647 -0.000 -1.336) 2.121 9.984 ( 0.921 0.000 1.243) 1.548 10.097 ( 3.341 0.000 2.396) 4.111 10.122 ( 1.358 0.000 -2.127) 2.524 10.264 ( 0.590 0.000 3.641) 3.689 10.622 ( 5.702 0.000 0.307) 5.710 10.887 ( -2.876 -0.000 3.104) 4.232 10.906 ( 1.945 0.000 -0.021) 1.945 10.934 ( -5.354 -0.000 1.900) 5.681 11.121 ( 2.675 0.000 -2.606) 3.734 11.167 ( 2.915 0.000 -0.681) 2.994 11.299 ( -0.286 -0.000 -4.166) 4.176 11.362 ( -0.592 -0.000 -0.095) 0.600 11.517 ( 0.075 0.000 -3.566) 3.566 16.138 ( -3.287 -0.000 -1.145) 3.481 16.450 ( -1.736 -0.000 5.496) 5.764 16.697 ( -6.465 -0.000 -11.749) 13.411 16.983 ( 3.563 0.000 -7.929) 8.693 17.393 ( 6.978 0.000 -2.633) 7.458 17.518 ( -8.015 -0.000 9.658) 12.550 ======================= Grid point 148 (73/100) ======================= q-point: ( 0.00 0.00 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.316 ( 1.402 0.000 13.083) 13.158 1.525 ( 1.793 0.000 -6.440) 6.685 1.794 ( -6.848 -0.000 0.903) 6.908 1.822 ( 9.102 0.000 3.423) 9.724 1.887 ( 6.957 0.000 6.636) 9.615 1.985 ( -4.872 -0.000 -2.406) 5.433 2.022 ( 5.418 0.000 8.833) 10.363 2.198 ( -6.588 -0.000 1.508) 6.759 2.376 ( -4.059 -0.000 2.345) 4.687 2.453 ( 2.171 0.000 -5.131) 5.572 2.528 ( -5.716 -0.000 3.813) 6.871 2.587 ( 4.947 0.000 -2.069) 5.362 2.882 ( 0.405 0.000 11.025) 11.033 2.941 ( -1.717 -0.000 5.177) 5.454 3.109 ( 2.174 0.000 2.112) 3.030 3.134 ( -7.966 -0.000 1.147) 8.048 3.180 ( -6.675 -0.000 2.447) 7.110 3.253 ( 8.460 0.000 -4.339) 9.508 3.302 ( 0.739 0.000 -1.527) 1.697 3.409 ( -7.007 -0.000 -8.033) 10.660 3.491 ( 7.753 0.000 6.644) 10.210 3.567 ( -3.155 -0.000 -0.291) 3.168 3.598 ( 7.514 0.000 -8.111) 11.057 3.700 ( 0.905 0.000 -8.319) 8.368 3.879 ( 3.244 0.000 0.563) 3.292 3.895 ( -5.456 -0.000 0.241) 5.461 3.949 ( -7.351 -0.000 0.502) 7.368 3.980 ( 7.529 0.000 -1.423) 7.662 4.277 ( -5.783 -0.000 1.017) 5.872 4.358 ( 8.900 0.000 -5.367) 10.393 4.457 ( -2.213 -0.000 2.357) 3.233 4.537 ( -1.163 -0.000 -1.129) 1.621 4.649 ( 1.410 0.000 7.388) 7.521 4.709 ( -1.170 -0.000 0.236) 1.194 4.784 ( 3.850 0.000 1.558) 4.153 4.844 ( -1.230 -0.000 -5.039) 5.187 5.156 ( -1.226 -0.000 1.245) 1.747 5.157 ( 1.590 0.000 2.928) 3.332 5.449 ( -4.782 -0.000 4.141) 6.326 5.484 ( -5.615 -0.000 5.945) 8.178 5.486 ( -4.049 -0.000 9.070) 9.933 5.568 ( 5.592 0.000 -1.788) 5.871 5.594 ( 0.199 0.000 0.602) 0.634 5.632 ( -1.036 -0.000 -5.777) 5.869 5.739 ( 6.579 0.000 -6.238) 9.067 5.746 ( -0.443 -0.000 -7.628) 7.641 5.811 ( 6.847 0.000 -1.916) 7.110 5.840 ( -4.053 -0.000 -0.915) 4.155 6.000 ( 3.007 0.000 0.730) 3.095 6.051 ( -2.057 -0.000 -2.690) 3.386 6.284 ( -11.105 -0.000 4.866) 12.124 6.408 ( 10.398 0.000 -6.951) 12.507 6.676 ( 2.773 0.000 3.702) 4.626 6.732 ( -9.039 -0.000 -2.683) 9.429 6.821 ( -0.211 -0.000 5.176) 5.181 6.984 ( 4.920 0.000 -8.822) 10.101 7.203 ( -2.996 -0.000 1.437) 3.323 7.215 ( 0.094 0.000 0.672) 0.679 7.431 ( -5.718 -0.000 0.878) 5.785 7.451 ( 6.627 0.000 -0.456) 6.642 7.628 ( -3.392 -0.000 2.004) 3.940 7.672 ( 2.874 0.000 -1.628) 3.303 8.013 ( 0.516 0.000 4.113) 4.145 8.086 ( -0.551 -0.000 -2.654) 2.711 8.124 ( -2.801 -0.000 0.529) 2.851 8.148 ( 1.610 0.000 -1.698) 2.340 9.618 ( 3.169 0.000 1.376) 3.455 9.639 ( -4.200 -0.000 -0.695) 4.257 9.695 ( -3.245 -0.000 0.744) 3.329 9.698 ( 3.676 0.000 0.461) 3.705 10.015 ( -1.260 -0.000 1.899) 2.279 10.047 ( -0.479 -0.000 -0.070) 0.484 10.087 ( 0.996 0.000 -0.547) 1.136 10.110 ( 1.992 0.000 -1.978) 2.807 10.752 ( -9.992 -0.000 2.053) 10.200 10.775 ( 18.271 0.000 -0.365) 18.275 10.865 ( -0.083 -0.000 3.210) 3.211 10.916 ( -1.525 -0.000 1.401) 2.071 10.932 ( -1.348 -0.000 -0.822) 1.578 10.974 ( 1.459 0.000 -5.891) 6.069 11.183 ( -3.674 -0.000 0.400) 3.695 11.192 ( 1.886 0.000 -0.372) 1.922 11.380 ( -0.053 -0.000 1.396) 1.397 11.425 ( 1.210 0.000 -2.863) 3.108 16.124 ( -10.788 -0.000 0.557) 10.802 16.134 ( 5.453 0.000 -0.317) 5.462 16.695 ( -3.020 -0.000 7.327) 7.925 16.841 ( 6.048 0.000 -6.521) 8.894 17.450 ( -14.285 -0.000 3.953) 14.822 17.513 ( 11.026 0.000 -2.137) 11.231 ======================= Grid point 149 (74/100) ======================= q-point: ( 0.14 0.00 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 172 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.466 ( 5.604 1.841 0.218) 5.903 1.522 ( 11.004 1.208 0.567) 11.085 1.698 ( -1.980 0.112 -1.078) 2.258 1.776 ( -0.192 9.843 -4.724) 10.920 1.955 ( -2.388 -2.099 -3.693) 4.873 2.002 ( 4.215 0.417 6.770) 7.986 2.121 ( -2.374 1.501 2.934) 4.061 2.195 ( 1.344 -5.119 -1.150) 5.416 2.350 ( -1.650 5.136 2.189) 5.821 2.414 ( 0.457 -1.288 -2.146) 2.544 2.533 ( -2.797 -3.533 -0.146) 4.508 2.655 ( 7.257 -2.249 -0.673) 7.627 2.884 ( -5.749 8.941 5.213) 11.839 2.945 ( -0.826 -0.770 6.215) 6.317 3.070 ( -3.281 0.740 -2.065) 3.947 3.094 ( -1.386 -0.198 -1.429) 2.000 3.178 ( -4.466 1.969 1.648) 5.151 3.284 ( 4.076 0.233 2.182) 4.630 3.336 ( -1.586 -5.519 0.041) 5.743 3.392 ( 3.941 -5.300 1.121) 6.699 3.490 ( -2.405 1.318 0.320) 2.761 3.562 ( -2.591 1.869 -9.701) 10.214 3.615 ( 9.524 3.787 2.975) 10.672 3.715 ( 7.352 -4.092 -2.936) 8.912 3.812 ( -3.828 -0.259 0.569) 3.879 3.910 ( -1.044 -2.498 -1.366) 3.032 3.973 ( 0.584 -4.330 0.521) 4.400 4.083 ( 3.680 -4.929 -0.626) 6.183 4.267 ( -2.161 -4.171 1.767) 5.019 4.396 ( 3.740 3.314 -4.748) 6.893 4.438 ( -3.563 0.734 5.100) 6.265 4.519 ( 2.494 -0.895 -2.826) 3.874 4.670 ( -1.404 4.656 0.759) 4.922 4.704 ( -1.552 0.614 3.096) 3.517 4.790 ( 2.712 -0.194 -3.185) 4.188 4.846 ( 3.341 -1.871 -1.534) 4.125 5.100 ( -4.059 3.873 -2.314) 6.069 5.138 ( -0.029 4.835 1.832) 5.170 5.383 ( -7.253 4.414 3.890) 9.339 5.410 ( -9.933 6.252 7.914) 14.156 5.467 ( -4.926 -1.015 4.445) 6.712 5.574 ( -4.995 -1.380 -1.079) 5.293 5.595 ( 3.374 5.368 -2.732) 6.904 5.623 ( 2.044 0.557 -2.079) 2.968 5.682 ( -0.376 1.071 -3.671) 3.843 5.756 ( 2.945 -0.342 -2.415) 3.824 5.784 ( -2.604 -1.787 -5.522) 6.361 5.863 ( 2.775 -0.504 2.384) 3.692 6.035 ( 4.550 0.882 -1.644) 4.918 6.066 ( 1.537 -3.788 -0.866) 4.178 6.219 ( -7.604 -1.560 4.513) 8.979 6.441 ( 7.670 1.373 -3.647) 8.603 6.610 ( -5.231 3.052 -0.521) 6.078 6.796 ( 8.528 -1.223 2.275) 8.911 6.894 ( -2.752 -5.955 5.009) 8.254 7.032 ( 5.610 -7.002 -6.392) 11.016 7.198 ( -2.545 -2.245 1.883) 3.881 7.231 ( -0.888 -1.875 1.309) 2.453 7.363 ( -6.360 0.734 0.355) 6.412 7.493 ( 4.807 2.749 -0.441) 5.555 7.630 ( -0.881 -1.446 1.697) 2.398 7.692 ( 3.024 -0.165 -1.573) 3.412 8.048 ( 0.140 0.052 2.697) 2.701 8.058 ( -0.099 0.035 -2.442) 2.444 8.111 ( -1.431 -0.578 1.691) 2.289 8.166 ( 2.276 -0.936 -0.853) 2.605 9.591 ( -3.176 0.045 -0.537) 3.221 9.646 ( -1.092 0.319 1.209) 1.660 9.672 ( 1.500 2.122 0.154) 2.603 9.745 ( 4.865 0.109 0.091) 4.867 10.008 ( -1.629 0.776 1.560) 2.385 10.041 ( 0.191 0.145 -0.147) 0.281 10.089 ( -0.276 -0.405 -0.201) 0.530 10.123 ( 1.596 -1.210 -2.596) 3.279 10.627 ( -9.649 0.880 -2.593) 10.029 10.815 ( -4.693 5.158 0.368) 6.983 10.879 ( -3.804 -0.719 -0.711) 3.936 10.927 ( 2.714 0.341 2.059) 3.423 10.960 ( 11.525 -0.559 -3.442) 12.041 10.987 ( 3.844 -0.471 -1.484) 4.147 11.122 ( -3.196 2.858 1.849) 4.669 11.198 ( 1.887 1.663 -0.988) 2.702 11.402 ( -0.932 -1.977 0.974) 2.393 11.439 ( 1.632 -2.763 -2.437) 4.030 16.063 ( -5.598 -1.209 3.010) 6.470 16.228 ( 8.525 -1.589 1.813) 8.860 16.710 ( -4.884 -1.058 5.344) 7.317 16.859 ( 5.532 -2.116 -8.058) 10.001 17.328 ( -12.924 0.458 4.860) 13.815 17.609 ( 10.505 1.948 -1.211) 10.753 ======================= Grid point 150 (75/100) ======================= q-point: ( 0.29 0.00 -0.57) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 172 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.382 ( -3.262 4.348 -2.951) 6.184 1.563 ( -1.930 5.448 -6.898) 8.999 1.701 ( 11.165 4.370 3.812) 12.581 1.798 ( 10.073 -2.889 -2.338) 10.737 1.905 ( -1.625 -0.522 -5.253) 5.524 1.989 ( 2.046 4.165 -9.075) 10.193 2.088 ( -1.834 3.764 5.250) 6.715 2.172 ( -3.321 3.296 -7.058) 8.468 2.262 ( -5.585 3.384 3.344) 7.337 2.477 ( 0.991 -5.473 1.974) 5.902 2.540 ( -0.785 -2.761 -2.928) 4.100 2.750 ( 0.042 2.740 5.642) 6.272 2.806 ( 6.343 4.462 6.983) 10.436 2.980 ( -0.587 2.849 -5.440) 6.169 3.017 ( -2.869 -2.856 3.172) 5.143 3.029 ( -0.349 1.234 -1.315) 1.837 3.121 ( -3.337 -1.698 1.369) 3.987 3.338 ( 0.878 2.527 2.427) 3.612 3.416 ( -3.311 -0.244 -5.034) 6.031 3.440 ( 4.590 -0.943 -0.895) 4.771 3.492 ( 2.048 0.309 1.681) 2.667 3.549 ( 1.458 -9.829 3.381) 10.496 3.704 ( 6.583 -2.217 1.844) 7.187 3.775 ( 3.032 2.231 -4.747) 6.058 3.823 ( -1.668 -3.079 3.650) 5.058 3.950 ( 0.247 -5.385 2.021) 5.757 4.013 ( 0.523 -0.855 -2.224) 2.439 4.182 ( -1.909 -1.661 2.993) 3.920 4.252 ( -2.335 1.305 -2.228) 3.481 4.339 ( 1.768 -0.873 -2.042) 2.839 4.461 ( -0.660 0.806 3.364) 3.522 4.530 ( -1.471 -1.670 -0.634) 2.314 4.600 ( 0.164 3.700 1.011) 3.839 4.705 ( 0.299 -3.030 -2.665) 4.047 4.792 ( -0.264 3.117 -2.764) 4.174 4.903 ( 0.758 -3.817 0.112) 3.893 4.980 ( 0.768 5.215 -2.371) 5.780 5.104 ( 3.923 1.365 -3.665) 5.540 5.283 ( -5.543 3.593 4.510) 7.999 5.295 ( -8.363 3.645 6.456) 11.176 5.417 ( -5.872 6.397 2.867) 9.144 5.484 ( -2.815 6.810 1.780) 7.581 5.541 ( -4.131 1.923 -3.867) 5.977 5.610 ( 2.615 -0.028 2.939) 3.934 5.630 ( 0.742 2.141 -4.471) 5.013 5.699 ( -4.937 0.312 -0.163) 4.950 5.801 ( 1.264 -4.577 -7.077) 8.522 5.939 ( 2.966 -1.367 1.694) 3.679 6.063 ( -2.528 -1.353 -2.818) 4.020 6.072 ( 5.111 1.268 -0.425) 5.283 6.289 ( 2.520 -7.278 2.200) 8.011 6.490 ( -2.239 -3.199 -0.581) 3.948 6.538 ( 4.749 5.443 1.289) 7.338 6.852 ( 5.132 3.889 -0.385) 6.450 7.006 ( -4.256 -7.446 6.353) 10.673 7.126 ( 2.679 -4.419 -3.025) 5.988 7.219 ( -2.531 -2.852 -0.477) 3.843 7.275 ( -2.741 -2.622 2.589) 4.592 7.298 ( -1.951 -2.691 -0.411) 3.349 7.499 ( 3.863 3.707 1.171) 5.481 7.637 ( 0.296 0.700 -0.664) 1.010 7.740 ( 2.997 -2.652 0.765) 4.074 8.025 ( -0.868 0.303 -1.848) 2.064 8.082 ( 0.220 -0.776 2.602) 2.724 8.128 ( 0.110 -0.775 1.096) 1.347 8.199 ( 2.190 -0.878 -0.554) 2.424 9.563 ( -1.599 -0.474 -0.511) 1.744 9.618 ( -1.823 1.165 -0.157) 2.170 9.660 ( 1.508 3.185 0.696) 3.592 9.805 ( 5.616 0.567 1.145) 5.759 9.995 ( -1.030 -0.151 0.548) 1.177 10.024 ( -0.258 1.444 -2.220) 2.661 10.102 ( -0.680 -1.578 1.292) 2.150 10.125 ( -0.044 -0.795 -2.854) 2.963 10.499 ( -4.248 1.258 -5.620) 7.156 10.673 ( -7.465 5.409 0.797) 9.253 10.833 ( -5.023 -0.866 -0.523) 5.123 10.959 ( 0.128 -0.404 2.914) 2.944 11.008 ( 2.176 2.658 -0.081) 3.436 11.036 ( 5.388 0.178 -2.381) 5.893 11.107 ( 3.698 0.282 -0.789) 3.792 11.182 ( 2.055 2.338 -1.333) 3.386 11.420 ( -0.685 -1.931 -0.517) 2.114 11.481 ( 1.216 -3.000 -1.006) 3.390 16.054 ( -1.968 0.012 2.500) 3.182 16.373 ( 7.839 -1.806 4.148) 9.051 16.676 ( -6.428 0.068 -0.095) 6.429 16.925 ( 5.239 -6.972 -4.199) 9.679 17.246 ( -9.075 -0.513 5.526) 10.637 17.661 ( 8.361 4.831 -1.065) 9.715 ======================= Grid point 151 (76/100) ======================= q-point: (-0.57 0.00 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 172 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.287 ( -2.734 1.659 -1.216) 3.421 1.439 ( 0.082 2.579 -7.528) 7.957 1.686 ( 0.864 7.901 -3.886) 8.847 1.810 ( -11.493 6.310 2.531) 13.353 1.836 ( 4.928 10.175 8.417) 14.095 1.936 ( 11.019 -0.256 -11.176) 15.697 2.032 ( -4.354 -0.732 -4.955) 6.637 2.106 ( -4.369 -7.783 -4.860) 10.163 2.213 ( 1.930 1.513 2.480) 3.488 2.523 ( -1.851 0.323 -0.474) 1.938 2.579 ( 2.739 -2.964 -0.007) 4.035 2.762 ( -0.403 2.691 9.894) 10.261 2.862 ( 0.634 4.758 3.612) 6.007 2.948 ( 7.591 -0.589 -2.690) 8.075 2.999 ( -5.219 -0.281 1.631) 5.475 3.042 ( -1.644 -0.821 2.522) 3.120 3.211 ( 2.058 -7.861 2.068) 8.385 3.294 ( -0.692 -0.003 -1.072) 1.275 3.354 ( -2.300 5.536 -1.281) 6.130 3.467 ( 2.817 2.042 -2.898) 4.528 3.490 ( 2.886 3.422 1.367) 4.681 3.700 ( -0.584 -4.240 0.610) 4.323 3.757 ( 1.561 -6.280 -0.644) 6.503 3.815 ( 0.461 -2.374 -2.269) 3.316 3.860 ( -0.866 0.374 3.525) 3.649 3.957 ( -0.587 5.209 0.521) 5.268 4.036 ( -0.045 -2.084 3.368) 3.961 4.117 ( -0.925 -2.988 0.445) 3.159 4.284 ( -0.960 2.577 0.678) 2.832 4.363 ( 1.337 -3.708 -2.013) 4.425 4.439 ( -1.343 -0.035 -0.108) 1.348 4.556 ( -0.708 -1.642 -0.584) 1.881 4.601 ( 0.697 0.445 1.093) 1.371 4.693 ( 0.008 2.551 -2.874) 3.842 4.706 ( -0.787 -1.244 -3.692) 3.975 4.884 ( 1.761 3.875 -0.911) 4.353 5.015 ( 0.005 -3.135 1.597) 3.519 5.127 ( 4.293 -1.427 -2.489) 5.163 5.210 ( -5.033 8.274 2.245) 9.941 5.269 ( -3.581 -2.434 3.928) 5.847 5.285 ( 0.271 3.597 1.516) 3.913 5.400 ( -3.247 3.161 3.241) 5.571 5.444 ( -5.286 0.970 -1.120) 5.490 5.585 ( 0.396 0.962 -2.081) 2.326 5.645 ( 3.491 0.460 -3.244) 4.788 5.694 ( -0.556 -1.243 3.353) 3.619 5.804 ( 0.816 -4.149 -8.010) 9.058 5.966 ( 3.236 2.233 -0.102) 3.933 6.029 ( -3.616 -0.792 -0.649) 3.759 6.124 ( 4.934 -0.962 -1.586) 5.271 6.388 ( -1.319 -2.124 -1.130) 2.744 6.499 ( 0.461 -5.623 1.125) 5.753 6.569 ( 3.606 2.942 1.567) 4.911 6.841 ( 2.098 3.191 1.062) 3.963 7.055 ( -3.889 -0.981 3.726) 5.475 7.140 ( -2.990 -1.886 -0.753) 3.614 7.229 ( 1.138 -2.264 -3.331) 4.185 7.263 ( -2.289 -0.594 1.557) 2.831 7.377 ( -0.105 -4.089 1.945) 4.529 7.499 ( 2.797 2.893 1.058) 4.161 7.624 ( -0.287 -0.074 -0.978) 1.021 7.815 ( 2.244 -1.751 1.645) 3.288 7.999 ( -1.382 0.817 -0.045) 1.606 8.118 ( -0.138 -2.228 1.201) 2.535 8.139 ( 0.662 0.480 0.049) 0.819 8.222 ( 0.936 -0.405 -0.370) 1.085 9.560 ( -0.064 -1.020 -0.473) 1.126 9.579 ( -0.941 2.178 -0.158) 2.378 9.644 ( 0.582 1.487 0.850) 1.809 9.866 ( 4.204 1.188 3.198) 5.414 9.974 ( -0.966 1.577 -2.120) 2.813 10.003 ( 0.572 -1.100 -0.298) 1.275 10.076 ( -2.766 0.040 -5.141) 5.838 10.134 ( 0.093 -0.598 1.822) 1.919 10.411 ( -1.980 2.015 -3.627) 4.597 10.566 ( -2.696 2.336 1.284) 3.791 10.795 ( -2.868 -1.408 -0.919) 3.325 10.983 ( -3.906 -0.239 3.422) 5.199 10.986 ( 1.624 1.268 0.717) 2.182 11.055 ( 1.549 0.098 -1.174) 1.946 11.136 ( 3.306 0.812 -1.850) 3.874 11.169 ( 3.047 1.655 -1.893) 3.950 11.432 ( 0.757 -1.178 -1.604) 2.129 11.518 ( 0.747 -1.677 -0.738) 1.979 16.057 ( -0.144 0.356 1.585) 1.631 16.484 ( 1.768 -1.519 3.560) 4.255 16.599 ( -3.466 1.380 -0.584) 3.776 17.034 ( 2.900 -5.855 -5.456) 8.512 17.252 ( -3.421 -3.678 7.175) 8.759 17.649 ( 4.793 6.222 -1.339) 7.967 ======================= Grid point 152 (77/100) ======================= q-point: (-0.43 0.00 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 172 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.291 ( 1.638 -3.886 1.239) 4.395 1.340 ( -0.078 5.766 -1.358) 5.925 1.603 ( -11.564 4.020 7.582) 14.400 1.672 ( 0.930 1.454 6.337) 6.568 1.768 ( -1.923 8.345 3.677) 9.320 1.972 ( 0.099 -0.278 -1.605) 1.632 2.018 ( 3.193 -0.528 -0.835) 3.343 2.143 ( 0.035 -12.955 -9.273) 15.932 2.254 ( -0.815 -2.884 -0.868) 3.120 2.490 ( 0.605 3.297 1.527) 3.683 2.593 ( 1.138 3.955 -0.794) 4.191 2.800 ( 0.871 4.432 8.477) 9.605 2.856 ( -3.394 0.032 4.313) 5.489 2.882 ( -8.324 0.386 -0.259) 8.337 3.054 ( 7.306 2.859 -1.307) 7.953 3.065 ( -2.429 -2.442 8.790) 9.441 3.189 ( -6.247 4.356 -3.510) 8.385 3.265 ( 0.600 0.822 -0.826) 1.311 3.408 ( 5.033 -6.600 0.116) 8.301 3.428 ( 3.568 3.505 -3.250) 5.965 3.479 ( -1.683 1.319 1.653) 2.703 3.719 ( -3.573 3.059 -3.453) 5.835 3.767 ( -1.386 -1.771 2.267) 3.194 3.797 ( -1.578 -0.006 -3.296) 3.654 3.877 ( 4.843 1.003 1.686) 5.225 3.957 ( 1.403 -1.917 -0.328) 2.398 4.072 ( 0.060 3.514 3.117) 4.697 4.158 ( 0.184 -2.275 -2.981) 3.754 4.279 ( -2.832 -2.792 3.308) 5.173 4.355 ( 2.527 0.021 -3.377) 4.218 4.459 ( 1.843 -2.288 -1.365) 3.240 4.501 ( -3.576 4.794 0.586) 6.009 4.632 ( -1.206 -2.888 2.761) 4.173 4.650 ( 2.148 -0.019 -4.066) 4.598 4.736 ( 2.939 -1.720 -3.183) 4.661 4.849 ( -1.437 1.685 1.095) 2.471 5.035 ( -6.556 5.933 4.907) 10.113 5.043 ( 0.515 0.313 -1.583) 1.693 5.195 ( 1.998 1.624 5.930) 6.465 5.289 ( 1.906 -1.639 -2.084) 3.265 5.341 ( 2.095 -5.421 2.123) 6.187 5.388 ( -1.284 -1.322 2.540) 3.138 5.437 ( 2.179 -3.349 0.597) 4.040 5.564 ( -2.926 -1.125 -0.328) 3.152 5.679 ( 6.431 -1.786 -6.707) 9.462 5.728 ( 2.645 -2.618 -0.890) 3.826 5.787 ( -0.460 -0.356 -5.108) 5.141 5.977 ( -3.857 0.135 3.206) 5.017 5.984 ( 2.440 1.501 -2.786) 3.996 6.158 ( 2.796 -0.020 -3.556) 4.524 6.392 ( 2.500 -1.116 -0.827) 2.860 6.499 ( -1.111 5.787 -0.180) 5.895 6.609 ( -2.898 -5.972 -1.532) 6.813 6.852 ( 2.016 0.263 0.802) 2.186 7.049 ( -0.558 0.771 3.862) 3.977 7.123 ( -2.968 0.118 1.098) 3.167 7.224 ( 0.062 -0.625 -3.677) 3.731 7.266 ( -0.174 0.146 1.215) 1.236 7.382 ( 0.425 5.463 1.450) 5.668 7.520 ( -0.503 -2.945 -0.411) 3.015 7.618 ( -0.606 -0.654 -0.486) 1.015 7.831 ( -1.671 1.405 0.207) 2.193 7.977 ( -0.419 1.927 1.881) 2.725 8.134 ( 0.963 0.549 -1.088) 1.553 8.153 ( -0.486 -2.446 0.018) 2.494 8.220 ( -1.291 -0.004 -0.370) 1.343 9.547 ( -0.470 1.374 0.494) 1.534 9.581 ( 0.885 -1.540 -0.010) 1.777 9.650 ( 1.234 -0.017 0.443) 1.311 9.899 ( -1.260 0.969 1.385) 2.108 9.950 ( 1.549 2.425 2.704) 3.949 9.986 ( -2.673 0.514 -2.645) 3.796 10.038 ( 1.998 -2.078 -2.124) 3.580 10.149 ( 0.513 0.474 0.604) 0.924 10.349 ( -2.682 1.762 2.266) 3.928 10.576 ( 4.193 -0.795 0.116) 4.270 10.801 ( 1.527 -1.938 -1.297) 2.787 10.966 ( -3.627 -0.767 2.155) 4.288 10.991 ( -3.338 -0.228 3.018) 4.506 11.057 ( 0.926 -0.279 -1.428) 1.725 11.130 ( 0.162 0.620 -0.693) 0.944 11.170 ( 2.761 0.965 -2.493) 3.843 11.440 ( 2.098 0.151 -2.363) 3.164 11.524 ( 0.253 0.503 -1.151) 1.281 16.066 ( 0.165 -0.381 0.510) 0.658 16.498 ( -7.049 -2.333 4.142) 8.502 16.583 ( 2.718 1.030 -1.126) 3.117 17.041 ( 2.792 1.783 -6.005) 6.858 17.329 ( 0.538 -2.703 0.762) 2.859 17.610 ( -0.959 1.699 1.564) 2.501 ======================= Grid point 153 (78/100) ======================= q-point: (-0.29 0.00 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 172 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.308 ( -2.434 2.206 7.799) 8.463 1.433 ( 5.241 -7.508 4.087) 10.027 1.560 ( -9.829 1.018 19.586) 21.938 1.649 ( -4.750 3.815 4.239) 7.422 1.736 ( -3.149 -0.066 1.797) 3.627 1.964 ( -0.782 -1.352 -1.152) 1.941 2.066 ( 5.136 -1.148 0.104) 5.264 2.228 ( -4.360 -9.505 -0.841) 10.491 2.317 ( 3.807 -7.398 -1.982) 8.553 2.435 ( -1.479 10.190 2.691) 10.642 2.531 ( 3.002 4.361 0.879) 5.367 2.760 ( -7.314 3.882 2.691) 8.706 2.833 ( -2.585 1.890 7.195) 7.876 2.878 ( -1.141 -1.292 3.312) 3.734 3.053 ( 4.655 3.731 -2.239) 6.372 3.095 ( -0.791 0.434 2.407) 2.570 3.168 ( -1.306 -5.969 -0.203) 6.113 3.244 ( 2.953 1.836 -0.939) 3.602 3.370 ( -2.963 -0.228 -2.877) 4.136 3.426 ( -2.684 2.638 1.313) 3.986 3.529 ( -0.062 -1.803 -0.813) 1.979 3.639 ( 1.413 2.584 -4.320) 5.228 3.737 ( -0.938 -1.148 -2.750) 3.124 3.754 ( -1.588 2.082 -1.724) 3.135 3.882 ( 2.111 5.211 -0.042) 5.623 3.991 ( -5.361 -2.632 -0.976) 6.051 4.006 ( 1.356 6.783 -1.163) 7.014 4.193 ( 4.357 -4.411 1.445) 6.366 4.295 ( -1.285 5.602 -6.239) 8.483 4.315 ( 0.947 -0.282 1.204) 1.557 4.425 ( -1.292 3.873 3.482) 5.366 4.535 ( 3.984 -4.699 -2.302) 6.576 4.608 ( -5.160 0.472 2.821) 5.899 4.692 ( -2.579 0.956 3.157) 4.187 4.771 ( 5.676 -3.477 -4.636) 8.112 4.863 ( 0.657 -3.317 2.445) 4.173 4.925 ( -4.424 2.731 1.761) 5.489 5.078 ( 1.544 -3.577 -0.944) 4.009 5.258 ( 4.087 0.977 6.981) 8.148 5.330 ( 0.815 -2.014 3.341) 3.985 5.455 ( 2.686 -4.258 -0.142) 5.036 5.478 ( 2.793 -3.753 7.681) 8.994 5.530 ( 6.669 -5.184 -4.503) 9.572 5.566 ( -4.186 -3.512 4.059) 6.807 5.695 ( 1.460 -3.565 -8.972) 9.765 5.708 ( 1.106 1.606 -6.201) 6.500 5.822 ( 7.041 -0.826 -3.338) 7.835 5.919 ( -6.796 -0.749 2.023) 7.130 6.022 ( 4.770 -0.869 -2.035) 5.258 6.125 ( 0.112 2.374 -3.384) 4.135 6.368 ( -1.511 3.586 -4.848) 6.217 6.471 ( 3.813 1.007 0.558) 3.984 6.588 ( -5.276 -3.114 -2.920) 6.786 6.846 ( -3.299 1.475 1.710) 3.997 7.059 ( -5.488 2.231 1.938) 6.233 7.102 ( 4.535 2.665 -1.690) 5.525 7.208 ( 2.044 0.530 -1.221) 2.439 7.274 ( 0.231 -0.219 2.072) 2.096 7.308 ( -0.736 5.138 0.096) 5.191 7.525 ( -1.975 -0.720 -1.199) 2.420 7.622 ( -1.152 -1.470 0.382) 1.906 7.763 ( -3.157 3.179 -1.002) 4.591 7.968 ( -0.312 1.879 3.186) 3.712 8.129 ( 1.116 0.526 -1.702) 2.102 8.167 ( -0.753 -1.557 -1.455) 2.260 8.191 ( -2.962 0.264 -0.260) 2.985 9.545 ( 0.561 0.074 1.174) 1.303 9.614 ( 1.600 -1.216 0.251) 2.025 9.673 ( 0.437 -1.526 -0.314) 1.618 9.826 ( -5.854 2.075 -0.792) 6.261 9.965 ( 1.781 0.295 2.341) 2.956 9.997 ( 0.361 -1.773 1.513) 2.358 10.071 ( 2.306 0.317 0.132) 2.331 10.143 ( 1.146 1.444 -1.069) 2.131 10.375 ( 3.811 -0.838 6.173) 7.303 10.656 ( 6.314 -0.868 1.643) 6.582 10.850 ( 4.270 -2.068 -1.612) 5.011 10.951 ( -7.337 -2.370 3.124) 8.319 10.966 ( -4.137 0.706 2.160) 4.720 11.057 ( 0.843 -0.045 -2.517) 2.655 11.129 ( 1.099 -1.396 -1.357) 2.236 11.164 ( -0.604 -0.768 -0.799) 1.263 11.433 ( 2.306 2.084 -2.087) 3.743 11.494 ( -0.025 2.136 -1.704) 2.732 16.076 ( -0.225 -0.964 0.038) 0.990 16.471 ( -7.364 -1.937 -3.030) 8.195 16.585 ( -0.852 0.627 4.853) 4.967 16.956 ( 3.181 7.704 -6.411) 10.515 17.352 ( 5.459 -0.089 -4.000) 6.768 17.606 ( -7.758 -3.176 4.181) 9.368 ======================= Grid point 154 (79/100) ======================= q-point: (-0.14 0.00 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 172 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.288 ( -9.954 2.903 12.909) 16.557 1.543 ( -0.689 2.419 4.732) 5.359 1.666 ( 8.026 -7.208 2.798) 11.145 1.690 ( -5.373 -5.084 14.636) 16.399 1.769 ( 0.924 -7.151 2.255) 7.555 1.951 ( 0.523 2.284 0.188) 2.351 2.090 ( 0.941 4.818 0.313) 4.919 2.274 ( -2.708 7.949 7.613) 11.335 2.361 ( -3.513 -8.769 -2.689) 9.822 2.432 ( 3.573 -3.930 -1.187) 5.442 2.529 ( 2.024 1.280 0.638) 2.478 2.636 ( -4.838 5.514 0.417) 7.348 2.813 ( -4.694 3.606 13.265) 14.526 2.924 ( -0.850 0.107 4.575) 4.655 3.051 ( 4.353 0.988 -0.800) 4.535 3.135 ( 6.018 -0.481 -2.602) 6.574 3.191 ( -2.432 -4.982 -2.880) 6.247 3.305 ( -4.101 -1.992 0.232) 4.565 3.338 ( -2.469 -1.700 1.300) 3.268 3.361 ( -0.981 0.682 1.807) 2.166 3.505 ( -0.515 -1.039 -3.271) 3.471 3.585 ( 2.070 3.232 -5.645) 6.827 3.641 ( 2.012 5.453 -6.718) 8.883 3.795 ( -3.826 -3.067 -2.268) 5.403 3.802 ( 1.960 2.338 -0.365) 3.073 3.931 ( -3.435 -0.044 -1.603) 3.791 3.956 ( 3.814 4.924 0.959) 6.302 4.120 ( -6.254 7.237 -3.020) 10.030 4.309 ( 2.681 -1.104 0.659) 2.974 4.331 ( 1.056 0.741 -1.114) 1.704 4.426 ( 3.590 -0.417 1.221) 3.815 4.542 ( -4.351 -2.191 -0.166) 4.875 4.619 ( 0.519 1.525 2.021) 2.585 4.686 ( -2.631 -2.175 5.774) 6.707 4.765 ( 1.440 3.219 -0.686) 3.592 4.878 ( -0.033 -1.635 -4.788) 5.060 5.033 ( 4.049 -7.647 4.574) 9.787 5.136 ( 0.917 -2.484 0.495) 2.694 5.373 ( 3.892 -2.618 7.389) 8.752 5.410 ( 2.035 -2.082 4.819) 5.630 5.485 ( -1.599 1.161 3.359) 3.897 5.584 ( -1.150 -1.505 -2.660) 3.265 5.599 ( -1.264 -1.769 2.139) 3.050 5.640 ( 5.657 -0.872 1.705) 5.972 5.655 ( 1.387 -3.116 -1.437) 3.700 5.739 ( 7.037 -6.270 -10.680) 14.244 5.815 ( 1.160 1.439 -5.921) 6.202 5.894 ( -3.654 0.288 1.410) 3.927 6.012 ( 1.053 3.021 -3.660) 4.861 6.094 ( -0.269 -0.150 -2.610) 2.628 6.315 ( 2.190 -1.683 -3.160) 4.197 6.411 ( -4.720 3.313 -1.679) 6.006 6.622 ( 4.984 -2.682 -1.796) 5.938 6.787 ( -8.064 0.338 3.967) 8.993 6.931 ( -7.767 6.715 0.948) 10.311 7.045 ( 4.240 5.628 -7.528) 10.311 7.213 ( -0.154 0.727 0.635) 0.978 7.243 ( -1.534 2.680 0.251) 3.098 7.354 ( 4.885 -3.252 1.660) 6.099 7.486 ( -3.000 1.067 -0.255) 3.194 7.635 ( -1.260 -1.493 0.939) 2.168 7.689 ( -1.583 2.433 -1.050) 3.087 7.979 ( -0.032 0.553 4.119) 4.156 8.112 ( -0.078 0.288 -2.428) 2.447 8.154 ( -2.351 0.075 -0.553) 2.416 8.157 ( -0.524 0.075 -1.456) 1.549 9.573 ( 2.166 -0.470 1.222) 2.531 9.652 ( 2.777 -0.504 0.515) 2.868 9.680 ( -2.819 -1.614 -0.632) 3.309 9.740 ( -5.008 1.291 0.550) 5.201 10.002 ( 0.391 -0.573 2.074) 2.187 10.034 ( 0.067 -1.977 0.491) 2.038 10.081 ( 1.064 0.810 0.337) 1.379 10.121 ( 1.625 1.885 -2.152) 3.290 10.551 ( 14.558 -2.212 4.874) 15.510 10.747 ( 3.891 -0.189 4.163) 5.701 10.893 ( -6.365 -1.554 0.292) 6.558 10.912 ( 0.369 -0.696 0.649) 1.021 10.936 ( -2.813 0.156 1.337) 3.118 11.027 ( -0.203 0.814 -4.517) 4.594 11.162 ( 2.554 -1.183 -1.619) 3.247 11.180 ( -2.588 -4.634 0.444) 5.326 11.400 ( 0.300 3.447 0.070) 3.461 11.452 ( 0.842 2.118 -2.509) 3.390 16.093 ( 1.173 -1.036 -0.118) 1.569 16.304 ( -11.922 3.124 -5.613) 13.542 16.644 ( -1.941 -1.464 9.418) 9.726 16.859 ( 5.448 5.219 -6.500) 9.958 17.412 ( 9.085 -0.879 -2.928) 9.586 17.560 ( -12.112 -1.633 3.540) 12.724 ======================= Grid point 156 (80/100) ======================= q-point: ( 0.14 0.14 -0.57) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.511 ( -6.904 -0.000 -2.389) 7.305 1.602 ( 15.884 0.000 -11.164) 19.415 1.666 ( -5.110 -0.000 -4.235) 6.637 1.850 ( -2.313 -0.000 -7.063) 7.432 1.870 ( 11.915 0.000 5.158) 12.984 2.046 ( 1.023 0.000 -7.407) 7.478 2.078 ( 3.421 0.000 -0.212) 3.428 2.314 ( 4.868 0.000 -0.177) 4.872 2.343 ( -5.436 -0.000 2.634) 6.041 2.427 ( 2.803 0.000 4.788) 5.548 2.492 ( -2.295 -0.000 2.288) 3.240 2.721 ( 9.955 0.000 -1.869) 10.129 2.914 ( -4.549 -0.000 1.069) 4.673 2.935 ( -5.902 -0.000 1.181) 6.019 2.991 ( -3.164 -0.000 -4.208) 5.265 3.061 ( -0.376 -0.000 -1.895) 1.932 3.199 ( -2.831 -0.000 4.170) 5.041 3.305 ( -5.335 -0.000 8.689) 10.196 3.370 ( 5.372 0.000 3.303) 6.307 3.402 ( 6.813 0.000 -1.782) 7.042 3.418 ( -7.602 -0.000 3.223) 8.257 3.526 ( 4.052 0.000 -10.443) 11.201 3.626 ( -1.322 -0.000 -7.747) 7.859 3.797 ( 4.648 0.000 5.490) 7.193 3.817 ( -0.044 -0.000 1.618) 1.619 3.880 ( 8.169 0.000 -1.518) 8.308 4.032 ( 6.503 0.000 1.092) 6.594 4.089 ( 3.898 0.000 1.774) 4.283 4.229 ( -0.874 -0.000 1.275) 1.546 4.406 ( -1.734 -0.000 0.122) 1.738 4.440 ( -4.232 -0.000 -5.315) 6.794 4.513 ( 6.189 0.000 0.048) 6.189 4.676 ( -0.416 -0.000 -3.183) 3.210 4.755 ( 1.161 0.000 -2.673) 2.915 4.785 ( -2.106 -0.000 7.775) 8.056 4.826 ( -1.185 -0.000 -2.581) 2.840 5.055 ( -2.588 -0.000 -3.714) 4.527 5.156 ( -2.883 -0.000 0.580) 2.941 5.372 ( -8.806 -0.000 4.041) 9.689 5.414 ( -12.317 -0.000 11.421) 16.797 5.436 ( -4.773 -0.000 -8.176) 9.467 5.452 ( -2.107 -0.000 3.523) 4.105 5.627 ( 3.302 0.000 -5.261) 6.211 5.645 ( -1.233 -0.000 0.558) 1.353 5.672 ( -1.090 -0.000 -1.840) 2.139 5.715 ( -1.795 -0.000 -2.421) 3.014 5.737 ( -0.803 -0.000 -1.529) 1.727 5.894 ( 3.564 0.000 1.003) 3.702 6.009 ( -8.314 -0.000 2.966) 8.828 6.129 ( 10.207 0.000 -2.548) 10.521 6.191 ( -2.222 -0.000 6.062) 6.456 6.444 ( -0.835 -0.000 -2.417) 2.557 6.651 ( 5.160 0.000 -1.034) 5.262 6.830 ( -2.260 -0.000 8.506) 8.801 6.968 ( 8.948 0.000 1.860) 9.139 6.981 ( 6.818 0.000 -8.164) 10.637 7.171 ( -2.658 -0.000 2.341) 3.542 7.216 ( -2.569 -0.000 2.337) 3.473 7.302 ( -6.090 -0.000 0.948) 6.163 7.558 ( 5.171 0.000 -2.534) 5.759 7.638 ( 1.387 0.000 3.300) 3.579 7.698 ( 1.176 0.000 -2.098) 2.405 8.033 ( 0.627 0.000 -3.488) 3.544 8.075 ( -0.323 -0.000 2.649) 2.668 8.122 ( 0.665 0.000 2.929) 3.003 8.182 ( 1.922 0.000 0.431) 1.970 9.556 ( -2.297 -0.000 -0.317) 2.319 9.629 ( -1.915 -0.000 0.041) 1.916 9.732 ( 3.552 0.000 0.533) 3.592 9.794 ( 4.896 0.000 -0.713) 4.948 10.016 ( -1.515 -0.000 2.540) 2.958 10.018 ( -2.018 -0.000 -1.746) 2.669 10.084 ( -0.068 -0.000 -0.114) 0.132 10.106 ( 0.959 0.000 -3.358) 3.492 10.513 ( -5.514 -0.000 -5.084) 7.500 10.737 ( -8.485 -0.000 -4.395) 9.556 10.837 ( -5.408 -0.000 3.515) 6.451 10.977 ( 1.780 0.000 -1.464) 2.304 10.980 ( 0.718 0.000 2.600) 2.698 11.093 ( 13.879 0.000 -5.442) 14.908 11.122 ( -2.982 -0.000 1.147) 3.195 11.208 ( -1.363 -0.000 1.201) 1.816 11.405 ( 0.070 0.000 1.584) 1.585 11.408 ( 1.730 0.000 -3.089) 3.541 16.068 ( 0.859 0.000 4.985) 5.058 16.344 ( 9.562 0.000 4.335) 10.499 16.674 ( -6.786 -0.000 3.468) 7.621 16.829 ( 5.184 0.000 -9.959) 11.227 17.234 ( -11.896 -0.000 5.798) 13.233 17.726 ( 9.166 0.000 -0.711) 9.194 ======================= Grid point 157 (81/100) ======================= q-point: ( 0.29 0.14 -0.57) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 172 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.384 ( -3.998 4.440 -2.055) 6.318 1.516 ( -5.744 3.186 -6.488) 9.233 1.658 ( -2.781 -7.054 -9.917) 12.484 1.835 ( 7.777 -1.410 -5.960) 9.899 1.973 ( 9.334 5.400 -13.214) 17.055 2.045 ( 9.498 3.769 0.052) 10.219 2.070 ( -0.116 4.645 -1.296) 4.823 2.247 ( -6.066 0.964 4.450) 7.585 2.349 ( 0.734 1.922 -1.886) 2.791 2.461 ( 3.776 5.387 2.831) 7.162 2.499 ( 2.119 -0.273 0.480) 2.190 2.811 ( -7.793 1.533 5.571) 9.701 2.849 ( 11.100 -4.374 -3.559) 12.450 2.927 ( -6.744 -3.019 -0.051) 7.389 2.951 ( -0.512 -1.255 -3.201) 3.476 3.065 ( 4.247 -1.371 -4.672) 6.461 3.190 ( 0.599 7.081 8.699) 11.232 3.284 ( -7.113 -2.231 1.014) 7.523 3.390 ( -1.408 -4.325 0.688) 4.600 3.415 ( -2.788 -0.002 2.378) 3.664 3.480 ( -2.558 -4.718 3.345) 6.324 3.529 ( 7.824 1.998 -10.619) 13.341 3.638 ( 2.312 -10.123 2.084) 10.590 3.844 ( 3.165 1.035 -0.567) 3.377 3.862 ( 4.625 5.021 1.615) 7.015 3.927 ( 2.268 -2.569 -1.523) 3.750 4.116 ( 7.375 5.581 4.892) 10.463 4.173 ( 1.432 -2.932 3.716) 4.945 4.236 ( -0.551 1.271 -0.728) 1.565 4.319 ( 1.041 0.463 -5.749) 5.861 4.421 ( -1.494 -5.455 -1.303) 5.804 4.559 ( 1.366 4.668 -0.680) 4.911 4.642 ( -1.140 -2.368 -1.474) 3.013 4.704 ( 0.684 4.799 3.382) 5.910 4.758 ( -7.152 1.120 0.186) 7.242 4.869 ( 2.109 -3.163 1.651) 4.144 5.018 ( 5.615 0.991 -6.500) 8.646 5.127 ( -0.216 0.579 -1.209) 1.358 5.276 ( -7.007 4.116 -1.284) 8.227 5.293 ( -8.000 2.273 5.775) 10.125 5.374 ( -10.050 -0.734 3.971) 10.831 5.465 ( -2.585 -1.537 -2.184) 3.717 5.579 ( -3.803 3.610 -0.840) 5.310 5.611 ( -1.080 1.822 -5.534) 5.926 5.651 ( 2.695 2.020 1.772) 3.805 5.679 ( 1.548 -0.399 0.835) 1.803 5.725 ( -4.169 0.626 1.835) 4.598 5.937 ( -4.877 -1.989 2.122) 5.679 5.975 ( 0.895 -3.245 -0.702) 3.438 6.191 ( 8.610 3.040 -2.466) 9.458 6.263 ( 1.042 -3.940 5.204) 6.610 6.409 ( -4.255 -1.092 -1.062) 4.520 6.691 ( 7.778 4.267 0.984) 8.926 6.899 ( -3.381 -4.374 3.174) 6.374 6.960 ( 3.586 1.366 -0.440) 3.862 7.106 ( 5.165 -3.101 -1.709) 6.262 7.165 ( -3.031 -0.900 1.449) 3.478 7.224 ( -1.967 -3.486 2.579) 4.762 7.257 ( -3.224 -0.128 1.797) 3.693 7.576 ( 3.885 1.317 -2.304) 4.705 7.661 ( 0.537 2.363 0.198) 2.431 7.732 ( 2.582 -3.309 2.104) 4.695 8.017 ( 1.843 0.374 -2.989) 3.531 8.088 ( -0.857 -0.390 1.808) 2.039 8.159 ( 1.594 0.799 3.276) 3.730 8.211 ( 1.468 -0.595 0.729) 1.744 9.539 ( -1.052 -0.485 -0.152) 1.168 9.609 ( -1.053 0.307 -0.349) 1.151 9.725 ( 1.261 3.934 -1.114) 4.279 9.864 ( 5.517 -2.264 -0.518) 5.986 9.961 ( -3.186 0.387 -2.253) 3.921 10.023 ( -1.128 0.302 1.462) 1.871 10.069 ( -0.730 0.282 -4.050) 4.125 10.105 ( 0.388 -1.437 0.419) 1.546 10.437 ( 0.128 0.401 -6.003) 6.018 10.610 ( -8.238 0.057 -2.595) 8.637 10.792 ( -5.172 1.637 3.015) 6.207 10.967 ( -1.944 0.513 2.422) 3.148 11.018 ( 0.581 -1.768 -0.275) 1.881 11.085 ( -1.585 2.263 0.799) 2.877 11.160 ( 6.779 1.724 -3.941) 8.028 11.206 ( 1.980 0.005 -1.740) 2.636 11.402 ( 1.149 -0.324 -0.754) 1.412 11.445 ( 0.558 -2.972 -0.048) 3.024 16.123 ( 5.171 3.213 3.621) 7.083 16.480 ( 5.619 0.466 5.391) 7.801 16.623 ( -5.910 -0.050 3.440) 6.838 16.841 ( 4.996 -5.634 -8.507) 11.361 17.172 ( -9.777 -1.938 5.894) 11.580 17.782 ( 5.907 2.947 -1.955) 6.884 ======================= Grid point 158 (82/100) ======================= q-point: ( 0.43 0.14 -0.57) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 172 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.292 ( -1.091 2.888 -0.646) 3.154 1.397 ( -0.435 0.973 -7.206) 7.285 1.669 ( -3.700 -7.535 -1.262) 8.489 1.764 ( -4.811 6.681 -6.640) 10.577 1.892 ( 8.315 2.194 -14.036) 16.461 1.971 ( -2.079 4.768 -0.539) 5.229 2.034 ( 1.899 4.230 -4.108) 6.195 2.233 ( -3.394 0.863 1.819) 3.947 2.259 ( 5.865 16.251 9.481) 19.708 2.518 ( 1.417 0.063 0.545) 1.519 2.559 ( 6.582 -7.926 -4.026) 11.062 2.798 ( -2.615 1.033 4.874) 5.627 2.843 ( -6.562 -0.099 -2.362) 6.975 2.927 ( -5.814 -3.455 -1.291) 6.885 3.002 ( 7.882 -4.395 -2.018) 9.248 3.150 ( 0.787 8.178 5.507) 9.891 3.151 ( 6.188 -3.430 1.792) 7.298 3.282 ( 1.254 -2.327 0.004) 2.643 3.363 ( -6.441 0.474 0.659) 6.492 3.419 ( -2.376 -0.204 -8.170) 8.511 3.480 ( -1.504 -3.788 -3.810) 5.580 3.614 ( 0.184 -9.521 4.756) 10.644 3.769 ( 0.022 0.307 0.119) 0.330 3.818 ( 5.847 3.389 1.761) 6.984 3.854 ( -1.114 -1.045 -0.803) 1.726 4.015 ( 3.932 -4.837 -1.459) 6.401 4.081 ( 0.292 6.432 -0.107) 6.440 4.152 ( 4.287 4.722 4.675) 7.908 4.295 ( -2.417 0.153 -0.156) 2.427 4.333 ( 4.185 -2.165 -0.493) 4.737 4.476 ( 0.348 0.837 -0.147) 0.918 4.503 ( 1.908 -1.136 1.833) 2.879 4.615 ( -6.321 2.409 0.147) 6.766 4.685 ( 1.120 1.017 -3.353) 3.679 4.726 ( 4.682 0.907 3.664) 6.014 4.911 ( 0.934 0.728 -3.010) 3.235 5.038 ( 3.553 1.609 0.103) 3.902 5.116 ( 3.020 -2.023 -4.703) 5.944 5.188 ( -6.700 -0.925 -0.497) 6.782 5.238 ( -3.837 0.257 3.048) 4.907 5.301 ( -6.813 0.804 3.493) 7.699 5.397 ( -3.134 1.465 -0.923) 3.581 5.487 ( -1.593 7.191 2.472) 7.769 5.573 ( 1.195 -0.703 -2.028) 2.457 5.648 ( -3.461 -0.863 0.054) 3.567 5.679 ( 0.754 -0.513 -4.498) 4.589 5.729 ( -0.767 -1.722 3.814) 4.254 5.943 ( -3.177 -2.502 2.947) 5.004 6.016 ( 3.874 -0.826 -5.147) 6.495 6.200 ( 3.867 4.284 0.310) 5.780 6.351 ( 0.663 -2.428 1.048) 2.726 6.408 ( -1.449 -6.100 0.566) 6.295 6.695 ( 1.768 6.663 2.090) 7.203 6.876 ( -0.076 1.252 -3.551) 3.766 7.034 ( -2.165 -4.524 6.077) 7.879 7.111 ( 1.145 1.198 -0.527) 1.739 7.184 ( -1.754 -2.231 0.389) 2.865 7.263 ( 0.716 -0.255 2.065) 2.201 7.302 ( 0.061 -6.744 0.346) 6.753 7.567 ( 0.934 2.469 -1.170) 2.887 7.632 ( -0.262 2.007 0.329) 2.051 7.814 ( 1.381 -1.967 1.855) 3.036 8.020 ( 3.477 0.845 -1.412) 3.847 8.098 ( -0.705 -1.013 0.934) 1.548 8.175 ( 0.706 1.962 1.957) 2.859 8.231 ( 0.494 0.400 0.676) 0.928 9.544 ( 0.126 -1.143 -0.127) 1.157 9.589 ( -0.701 1.146 -0.438) 1.412 9.674 ( 0.388 2.152 -2.065) 3.008 9.915 ( -1.254 0.551 -0.116) 1.374 9.955 ( 4.174 -3.641 -2.277) 5.989 9.997 ( -2.154 1.301 -4.232) 4.924 10.017 ( -1.494 0.999 1.636) 2.430 10.137 ( 0.749 -1.221 0.669) 1.581 10.391 ( -0.715 1.262 -2.673) 3.041 10.547 ( -1.463 -1.941 -1.776) 3.010 10.753 ( -3.076 0.113 2.539) 3.990 10.957 ( -4.788 -0.521 4.112) 6.333 11.023 ( 0.577 1.114 -1.709) 2.120 11.054 ( -1.284 0.552 0.586) 1.516 11.152 ( -0.175 1.070 -0.847) 1.376 11.212 ( 5.594 1.799 -5.271) 7.893 11.422 ( 2.029 -0.938 -0.983) 2.442 11.488 ( 0.096 -2.846 -0.010) 2.848 16.144 ( 6.349 5.748 0.790) 8.601 16.489 ( -5.376 1.797 4.525) 7.253 16.631 ( 2.705 1.807 2.040) 3.840 16.946 ( 4.551 -8.495 -3.647) 10.304 17.170 ( -8.198 -5.738 5.556) 11.445 17.744 ( 2.018 5.421 -4.466) 7.307 ======================= Grid point 159 (83/100) ======================= q-point: (-0.43 0.14 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 172 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.299 ( 3.040 -1.262 2.544) 4.160 1.369 ( 1.911 -0.850 -2.052) 2.930 1.576 ( -5.601 3.332 -0.430) 6.531 1.748 ( -0.496 -2.369 5.229) 5.762 1.805 ( -6.883 9.586 0.410) 11.808 1.917 ( 3.768 -6.130 -4.411) 8.440 2.031 ( 3.035 -2.477 -2.602) 4.703 2.155 ( -6.469 0.083 -4.289) 7.762 2.222 ( 7.747 13.018 9.159) 17.702 2.537 ( 1.903 -1.348 -1.245) 2.644 2.678 ( 7.856 1.476 -1.610) 8.154 2.751 ( -3.757 -5.009 -3.579) 7.213 2.814 ( -6.274 0.892 4.795) 7.947 2.882 ( -3.791 -0.675 -1.226) 4.042 3.068 ( -1.400 4.146 0.822) 4.452 3.117 ( 2.132 -1.704 -4.263) 5.061 3.188 ( -7.332 6.236 3.904) 10.387 3.272 ( 3.854 -2.194 0.831) 4.512 3.353 ( 1.996 -3.474 -3.009) 5.011 3.371 ( -2.870 -4.505 -1.110) 5.456 3.508 ( 1.192 -1.375 -1.983) 2.692 3.708 ( -5.732 2.195 -0.681) 6.175 3.748 ( 2.117 -3.084 1.235) 3.939 3.783 ( -3.028 4.252 1.487) 5.428 3.916 ( 2.875 -4.157 0.597) 5.090 4.028 ( 6.889 6.306 -2.267) 9.611 4.104 ( 1.918 -4.948 -3.024) 6.108 4.150 ( 1.798 3.806 1.652) 4.522 4.272 ( -1.974 2.821 2.770) 4.419 4.365 ( 3.163 -1.413 -1.230) 3.676 4.509 ( 4.444 2.624 0.216) 5.166 4.520 ( -2.421 3.339 7.610) 8.656 4.598 ( 3.703 -6.046 -2.232) 7.433 4.628 ( -2.210 2.837 -1.013) 3.736 4.778 ( 3.922 2.501 -1.061) 4.771 4.845 ( -2.294 1.959 -2.508) 3.923 5.047 ( -2.235 1.363 1.300) 2.923 5.056 ( -7.140 3.902 1.178) 8.221 5.195 ( 3.128 -6.901 -1.311) 7.689 5.277 ( -2.571 -0.738 3.388) 4.316 5.303 ( 6.018 -4.716 -3.040) 8.228 5.389 ( -1.935 -2.237 3.837) 4.845 5.443 ( 0.335 1.178 4.273) 4.445 5.542 ( -1.434 0.862 -1.263) 2.097 5.636 ( -0.954 -1.148 -7.487) 7.635 5.709 ( 3.885 -4.218 -0.348) 5.746 5.765 ( 0.870 -1.926 1.029) 2.350 5.928 ( -3.997 2.717 0.454) 4.854 6.002 ( -0.450 -1.025 -1.686) 2.024 6.195 ( 4.775 3.276 -2.003) 6.128 6.413 ( 4.230 -1.634 1.282) 4.712 6.467 ( -3.761 -6.068 -2.057) 7.429 6.591 ( -3.468 8.341 1.856) 9.222 6.845 ( 0.856 -0.733 -5.094) 5.217 7.094 ( -3.472 -2.052 5.651) 6.943 7.135 ( 4.420 1.956 3.307) 5.857 7.187 ( -1.202 -1.351 -0.026) 1.808 7.288 ( 0.480 0.617 2.178) 2.314 7.388 ( 0.891 -5.492 -1.440) 5.747 7.504 ( -2.300 4.055 -1.441) 4.880 7.619 ( -0.001 0.903 1.156) 1.467 7.822 ( -1.884 1.222 -0.239) 2.258 8.038 ( 3.154 2.181 0.295) 3.846 8.117 ( 0.024 -1.722 0.114) 1.726 8.159 ( 0.156 2.168 0.208) 2.184 8.217 ( -1.211 1.693 0.326) 2.107 9.561 ( -0.208 0.935 -0.212) 0.981 9.569 ( 0.652 -1.589 0.192) 1.728 9.657 ( 1.180 -0.185 -1.802) 2.162 9.865 ( -4.949 1.420 -3.892) 6.454 9.935 ( -0.513 -1.590 -0.425) 1.724 10.000 ( -0.854 -0.080 0.461) 0.974 10.059 ( 4.598 -0.862 2.890) 5.498 10.158 ( 1.039 -0.300 -0.513) 1.197 10.364 ( -0.896 0.201 2.705) 2.857 10.588 ( 4.221 -4.042 -2.503) 6.358 10.771 ( -0.430 -2.526 2.181) 3.365 10.940 ( -5.531 -0.266 4.476) 7.120 10.988 ( -0.434 1.888 -1.598) 2.511 11.043 ( -1.382 -0.465 -0.027) 1.458 11.126 ( -1.298 0.769 -0.293) 1.537 11.194 ( 3.574 2.143 -5.169) 6.639 11.449 ( 2.954 -0.452 -1.678) 3.427 11.512 ( -0.320 -1.135 -0.535) 1.294 16.134 ( 5.551 5.428 -0.721) 7.797 16.439 ( -6.954 0.683 3.722) 7.917 16.640 ( 2.569 2.962 1.903) 4.358 17.053 ( 4.850 -1.472 -2.175) 5.515 17.218 ( -7.298 -9.238 3.238) 12.210 17.633 ( -1.344 4.769 -5.569) 7.454 ======================= Grid point 160 (84/100) ======================= q-point: (-0.29 0.14 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 172 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.375 ( 2.371 1.870 2.395) 3.854 1.427 ( 2.008 -5.112 5.124) 7.511 1.582 ( -6.622 -3.422 14.887) 16.649 1.637 ( -5.186 4.559 0.056) 6.905 1.757 ( -2.268 2.554 -0.222) 3.423 1.982 ( -0.187 -2.129 1.208) 2.455 2.093 ( 2.014 -3.876 0.215) 4.373 2.115 ( 4.270 -3.031 -0.427) 5.254 2.298 ( 7.598 -1.249 5.292) 9.343 2.536 ( -0.564 3.203 -1.771) 3.703 2.651 ( 2.785 5.456 -2.167) 6.498 2.706 ( -8.545 2.544 -0.918) 8.963 2.822 ( 3.753 -5.194 -3.672) 7.386 2.870 ( -2.466 -2.037 -0.301) 3.212 2.978 ( -3.411 -0.122 -1.199) 3.618 3.087 ( -4.251 -2.004 4.127) 6.255 3.192 ( 4.518 0.723 -0.711) 4.630 3.304 ( -2.032 0.429 -1.501) 2.562 3.361 ( 5.978 3.716 1.631) 7.225 3.396 ( -5.157 -3.540 1.157) 6.361 3.513 ( -1.758 1.464 1.853) 2.944 3.620 ( -7.662 -0.865 -2.110) 7.994 3.659 ( -2.660 3.050 -1.080) 4.189 3.776 ( 2.289 2.325 -4.504) 5.562 3.965 ( 2.780 2.352 -2.152) 4.230 3.993 ( 0.801 5.542 0.117) 5.601 4.117 ( 6.678 4.079 -2.121) 8.108 4.205 ( 4.344 -3.037 1.171) 5.428 4.238 ( -5.432 -1.529 1.987) 5.982 4.359 ( -1.631 2.462 -4.039) 5.004 4.470 ( -3.326 2.913 5.093) 6.744 4.542 ( 5.342 3.147 -0.650) 6.234 4.608 ( 2.025 -0.398 1.756) 2.710 4.708 ( -1.339 1.730 0.305) 2.209 4.773 ( 5.489 -3.578 1.684) 6.765 4.833 ( 1.790 -2.321 0.278) 2.945 4.912 ( -7.290 3.148 0.236) 7.944 5.043 ( -1.170 -1.716 -0.834) 2.238 5.286 ( -3.238 -5.314 4.038) 7.418 5.322 ( 0.189 -3.448 3.022) 4.588 5.398 ( 6.600 -4.071 -6.165) 9.906 5.480 ( 1.822 -5.813 2.856) 6.728 5.509 ( -3.832 -5.331 4.577) 8.003 5.546 ( 2.621 -1.380 1.475) 3.309 5.594 ( 3.906 -3.329 -9.505) 10.802 5.737 ( -1.960 1.220 3.201) 3.946 5.828 ( -1.448 0.333 -4.443) 4.684 5.867 ( 2.768 -0.664 1.635) 3.283 6.015 ( 0.940 -2.583 -0.277) 2.763 6.165 ( 3.921 5.574 -3.354) 7.595 6.394 ( -0.692 5.557 -3.073) 6.388 6.438 ( -7.233 -0.983 -3.579) 8.130 6.561 ( 4.047 -1.094 3.714) 5.601 6.809 ( -1.338 -0.048 -5.300) 5.466 7.090 ( -4.584 3.944 6.517) 8.890 7.169 ( 3.907 2.095 -1.751) 4.766 7.234 ( 2.771 -1.392 3.602) 4.753 7.290 ( -0.814 0.553 2.867) 3.032 7.373 ( -1.897 5.927 -0.875) 6.285 7.457 ( -1.331 -3.323 -3.050) 4.702 7.621 ( 0.754 0.736 1.379) 1.736 7.756 ( -3.273 2.502 -1.684) 4.450 8.030 ( 0.970 3.226 1.809) 3.824 8.119 ( -1.380 -0.106 -1.385) 1.958 8.153 ( 2.015 0.191 -0.620) 2.116 8.175 ( -1.934 1.819 0.152) 2.659 9.560 ( 0.407 -0.275 1.272) 1.363 9.606 ( 1.043 -2.290 -0.199) 2.524 9.662 ( 1.094 -0.344 -1.340) 1.764 9.763 ( -5.262 0.632 -2.737) 5.965 9.967 ( -0.136 -1.927 2.068) 2.830 10.001 ( -0.095 -0.520 0.547) 0.761 10.111 ( 1.409 1.049 1.265) 2.165 10.159 ( 1.545 0.773 -1.868) 2.544 10.452 ( 6.071 -4.538 5.984) 9.657 10.685 ( 3.727 -5.419 -1.705) 6.794 10.819 ( -1.484 -2.701 2.104) 3.732 10.922 ( -2.640 0.281 3.274) 4.215 10.944 ( -0.937 1.553 -1.247) 2.201 11.035 ( -1.075 -0.758 -1.228) 1.799 11.104 ( -2.118 -0.184 0.793) 2.269 11.159 ( 1.774 1.414 -4.273) 4.838 11.467 ( 3.266 0.939 -2.070) 3.979 11.500 ( -0.777 0.948 -0.998) 1.581 16.124 ( 4.183 3.915 0.524) 5.753 16.356 ( -7.698 1.165 -2.896) 8.307 16.662 ( 1.215 2.862 8.229) 8.796 17.019 ( 0.259 4.870 -5.713) 7.512 17.313 ( 0.236 -7.435 2.042) 7.714 17.531 ( -3.974 0.546 -3.426) 5.275 ======================= Grid point 161 (85/100) ======================= q-point: (-0.14 0.14 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 172 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.380 ( 0.586 4.205 9.311) 10.233 1.497 ( -3.034 -2.484 -2.793) 4.814 1.634 ( 3.672 -4.208 1.986) 5.928 1.669 ( -1.243 -7.717 1.041) 7.885 1.804 ( 1.771 -2.544 15.715) 16.018 2.015 ( 0.780 0.925 -0.031) 1.210 2.162 ( 1.018 2.158 -0.427) 2.424 2.203 ( 3.984 -8.338 -4.078) 10.101 2.387 ( -1.957 8.151 0.418) 8.393 2.426 ( 0.460 1.949 0.987) 2.233 2.607 ( 0.700 3.575 -0.666) 3.704 2.620 ( -0.763 -2.079 -2.160) 3.093 2.820 ( -10.282 -5.051 3.537) 11.989 2.908 ( 3.434 -0.269 0.859) 3.550 3.005 ( 1.933 -5.109 0.058) 5.463 3.128 ( 0.158 -3.781 -3.913) 5.444 3.217 ( -2.024 4.646 4.386) 6.702 3.282 ( 3.826 0.303 -0.266) 3.847 3.373 ( -3.855 0.049 4.216) 5.714 3.384 ( 3.470 3.754 3.563) 6.232 3.482 ( -3.009 -1.110 0.584) 3.260 3.513 ( -4.152 -0.491 -1.825) 4.562 3.659 ( -3.722 -2.454 -2.383) 5.055 3.707 ( 8.081 4.702 -9.168) 13.094 3.902 ( -1.275 6.625 -0.023) 6.747 3.928 ( 2.989 3.929 -2.538) 5.551 4.102 ( 0.847 6.449 0.712) 6.543 4.129 ( -3.161 5.731 -1.314) 6.675 4.304 ( 0.859 -1.271 1.546) 2.178 4.349 ( 0.527 -3.954 -1.552) 4.280 4.429 ( -4.066 1.032 4.789) 6.367 4.527 ( 4.051 3.513 -3.130) 6.209 4.654 ( -6.403 -1.203 4.075) 7.684 4.675 ( 4.481 0.172 0.365) 4.499 4.811 ( -1.928 2.077 -0.962) 2.993 4.829 ( 5.796 0.385 -4.305) 7.230 5.001 ( 3.006 -8.312 5.331) 10.322 5.076 ( -0.716 -5.798 -2.317) 6.285 5.351 ( -6.793 -5.797 7.582) 11.715 5.380 ( -4.449 -4.194 2.747) 6.703 5.453 ( 0.259 -4.421 -1.467) 4.665 5.528 ( 0.580 -5.588 -6.257) 8.409 5.576 ( -0.837 -4.471 1.479) 4.783 5.624 ( 1.456 1.006 4.138) 4.500 5.671 ( 5.790 -4.664 -6.482) 9.863 5.740 ( -1.980 -2.733 0.486) 3.410 5.774 ( 1.422 2.771 4.561) 5.523 5.874 ( -0.420 0.630 -3.160) 3.249 6.068 ( 0.890 1.242 -2.078) 2.580 6.091 ( 5.817 5.649 -4.250) 9.155 6.304 ( -5.544 2.739 1.105) 6.282 6.361 ( 2.644 -1.408 -4.812) 5.668 6.644 ( -1.424 -2.564 3.252) 4.379 6.741 ( 2.023 2.164 -5.023) 5.831 7.003 ( -5.302 8.398 6.478) 11.858 7.125 ( 3.235 6.507 -4.544) 8.571 7.244 ( -0.668 3.395 2.179) 4.089 7.273 ( -1.294 4.134 -0.452) 4.356 7.365 ( 0.976 -3.428 3.884) 5.271 7.442 ( -1.281 -1.561 -3.199) 3.783 7.642 ( 1.076 0.718 1.915) 2.311 7.686 ( -1.095 1.007 -1.824) 2.354 8.024 ( 0.403 1.438 3.190) 3.522 8.089 ( -1.131 0.028 -2.541) 2.781 8.134 ( -2.087 1.401 0.988) 2.701 8.164 ( 2.293 0.760 -1.605) 2.900 9.595 ( 1.170 -1.401 1.821) 2.578 9.628 ( -1.086 -1.210 -1.379) 2.132 9.672 ( -1.276 -0.792 1.366) 2.030 9.705 ( 0.456 -0.044 -1.746) 1.805 9.998 ( -1.122 -1.231 1.808) 2.458 10.021 ( 0.913 -1.231 0.201) 1.546 10.103 ( -0.395 1.332 0.680) 1.547 10.144 ( 1.831 1.523 -2.542) 3.483 10.668 ( 8.848 -7.119 3.777) 11.968 10.720 ( -7.256 -3.526 -1.218) 8.158 10.856 ( 2.251 -0.538 2.997) 3.787 10.906 ( -0.692 -0.465 -1.514) 1.728 10.946 ( 2.302 0.876 1.120) 2.706 10.999 ( -0.675 1.323 -3.908) 4.181 11.105 ( -3.396 -2.503 2.207) 4.761 11.155 ( 2.841 -1.684 -2.595) 4.200 11.447 ( -0.327 3.261 -0.176) 3.282 11.471 ( 1.623 1.771 -2.394) 3.391 16.131 ( -0.383 2.242 3.360) 4.058 16.213 ( -3.111 3.405 -4.595) 6.511 16.708 ( -1.946 2.207 10.445) 10.852 16.910 ( 3.410 4.007 -8.726) 10.190 17.399 ( -8.450 -3.606 5.171) 10.543 17.495 ( 5.920 -1.671 -3.933) 7.301 ======================= Grid point 164 (86/100) ======================= q-point: ( 0.29 0.29 -0.57) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.372 ( -3.201 -0.000 0.624) 3.262 1.459 ( -3.787 -0.000 -13.512) 14.032 1.463 ( -2.158 -0.000 -0.330) 2.183 1.822 ( 0.790 0.000 -8.544) 8.580 2.005 ( 6.831 0.000 -15.597) 17.027 2.092 ( 6.136 0.000 -2.398) 6.588 2.198 ( -6.597 -0.000 4.497) 7.984 2.234 ( 0.537 0.000 -8.774) 8.790 2.246 ( 9.499 0.000 -3.850) 10.249 2.496 ( -0.642 -0.000 1.852) 1.960 2.642 ( 1.617 0.000 0.040) 1.618 2.778 ( -0.306 -0.000 0.273) 0.410 2.814 ( -9.680 -0.000 6.458) 11.636 2.956 ( 8.666 0.000 -3.853) 9.484 2.961 ( 6.048 0.000 0.661) 6.084 3.036 ( 5.657 0.000 -2.370) 6.133 3.211 ( -4.811 -0.000 2.788) 5.561 3.233 ( -1.547 -0.000 1.324) 2.036 3.348 ( -8.590 -0.000 -1.546) 8.728 3.405 ( -6.330 -0.000 8.191) 10.352 3.493 ( 3.372 0.000 -4.563) 5.674 3.524 ( -0.448 -0.000 7.455) 7.468 3.599 ( 10.633 0.000 -8.883) 13.855 3.872 ( 1.223 0.000 -4.714) 4.870 3.911 ( 2.810 0.000 0.852) 2.936 3.987 ( 0.806 0.000 0.268) 0.850 4.160 ( -2.041 -0.000 2.042) 2.887 4.258 ( 2.642 0.000 -1.702) 3.143 4.274 ( -2.755 -0.000 5.508) 6.159 4.313 ( 9.785 0.000 -3.615) 10.431 4.369 ( 5.552 0.000 2.358) 6.032 4.566 ( -0.948 -0.000 -5.571) 5.651 4.625 ( -6.260 -0.000 0.852) 6.318 4.667 ( 4.521 0.000 -0.130) 4.523 4.848 ( 5.462 0.000 2.713) 6.099 4.875 ( -2.285 -0.000 7.275) 7.625 5.019 ( 6.206 0.000 -10.655) 12.331 5.101 ( -1.244 -0.000 -0.314) 1.283 5.221 ( -8.142 -0.000 -0.245) 8.145 5.283 ( -12.776 -0.000 8.795) 15.511 5.283 ( -3.431 -0.000 1.992) 3.967 5.417 ( 0.781 0.000 -2.960) 3.061 5.555 ( 1.673 0.000 -7.289) 7.478 5.576 ( -0.799 -0.000 -2.748) 2.862 5.655 ( -6.383 -0.000 1.833) 6.641 5.687 ( -5.306 -0.000 3.510) 6.361 5.718 ( -4.403 -0.000 3.546) 5.654 5.909 ( 2.418 0.000 3.248) 4.049 5.974 ( 3.683 0.000 -3.758) 5.262 6.282 ( 7.453 0.000 -1.629) 7.629 6.294 ( -0.262 -0.000 7.183) 7.188 6.346 ( -5.182 -0.000 -0.068) 5.183 6.812 ( 7.455 0.000 -3.597) 8.278 6.838 ( -5.926 -0.000 4.966) 7.731 6.992 ( 4.535 0.000 -3.369) 5.649 7.108 ( -2.298 -0.000 1.681) 2.847 7.157 ( -0.704 -0.000 0.672) 0.973 7.189 ( -2.499 -0.000 3.197) 4.058 7.261 ( 0.055 0.000 3.719) 3.720 7.584 ( 2.134 0.000 -4.166) 4.681 7.689 ( -0.044 -0.000 0.802) 0.803 7.776 ( 4.036 0.000 3.674) 5.458 8.027 ( 3.670 0.000 -2.350) 4.358 8.086 ( -1.077 -0.000 1.397) 1.764 8.219 ( 2.256 0.000 3.474) 4.142 8.223 ( 0.362 0.000 1.049) 1.110 9.527 ( -0.379 -0.000 0.055) 0.383 9.600 ( -0.391 -0.000 -0.521) 0.651 9.728 ( -2.282 -0.000 -4.561) 5.099 9.880 ( 4.950 0.000 -2.295) 5.456 9.932 ( -0.514 -0.000 -0.538) 0.744 10.007 ( -2.779 -0.000 -4.012) 4.880 10.043 ( -0.618 -0.000 0.673) 0.914 10.108 ( 1.467 0.000 0.548) 1.566 10.416 ( 3.429 0.000 -5.785) 6.725 10.497 ( -7.560 -0.000 -1.361) 7.682 10.780 ( -4.749 -0.000 3.915) 6.155 10.967 ( -1.520 -0.000 0.056) 1.521 10.996 ( -1.972 -0.000 1.466) 2.457 11.078 ( -1.784 -0.000 -0.568) 1.872 11.176 ( -3.538 -0.000 2.519) 4.343 11.239 ( 8.922 0.000 -7.302) 11.529 11.415 ( 3.107 0.000 -2.363) 3.904 11.429 ( -0.595 -0.000 1.896) 1.987 16.264 ( 9.992 0.000 1.426) 10.093 16.586 ( -8.349 -0.000 10.495) 13.411 16.590 ( 3.017 0.000 5.517) 6.288 16.786 ( 7.438 0.000 -11.369) 13.586 17.090 ( -10.073 -0.000 5.183) 11.329 17.820 ( 1.729 0.000 -4.358) 4.688 ======================= Grid point 165 (87/100) ======================= q-point: ( 0.43 0.29 -0.57) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 172 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.296 ( 1.441 1.636 -7.645) 7.950 1.365 ( -1.193 0.807 -1.587) 2.144 1.545 ( 2.441 -7.963 2.493) 8.693 1.722 ( -3.538 3.285 -6.801) 8.341 1.874 ( -2.954 1.994 -10.237) 10.839 2.055 ( 1.116 4.686 -6.115) 7.784 2.098 ( 5.740 10.033 -2.841) 11.903 2.234 ( -0.225 2.227 -0.329) 2.263 2.345 ( -2.243 -7.768 -5.968) 10.050 2.499 ( 3.798 -3.171 -4.072) 6.408 2.615 ( 2.222 0.933 0.483) 2.458 2.775 ( -6.398 2.252 5.051) 8.456 2.799 ( -5.512 -2.739 3.630) 7.146 2.890 ( 4.248 8.203 1.309) 9.330 3.055 ( 8.125 0.228 0.193) 8.131 3.156 ( -0.077 0.634 0.142) 0.654 3.244 ( -1.416 -2.366 -2.688) 3.851 3.251 ( 2.429 -8.313 1.185) 8.742 3.283 ( -5.186 -3.054 0.387) 6.031 3.369 ( 2.784 7.943 1.775) 8.602 3.420 ( -4.711 -0.467 0.038) 4.735 3.606 ( 4.869 1.610 -0.898) 5.206 3.694 ( 2.261 -10.514 -0.576) 10.769 3.855 ( -6.880 5.419 -0.513) 8.773 3.868 ( 0.025 -2.188 -2.895) 3.628 3.955 ( 0.814 -3.088 -5.418) 6.289 4.186 ( 1.762 0.547 3.844) 4.264 4.245 ( 3.750 2.930 -2.892) 5.568 4.295 ( -0.506 -0.324 3.815) 3.862 4.405 ( 5.950 3.043 4.087) 7.834 4.451 ( 5.620 -0.193 -2.806) 6.285 4.540 ( -2.928 -0.254 3.111) 4.280 4.604 ( 1.470 -3.577 -2.169) 4.434 4.699 ( 3.908 2.266 -1.688) 4.822 4.852 ( 2.004 5.415 5.869) 8.234 4.914 ( 1.370 2.623 -2.901) 4.144 5.023 ( 0.174 -2.824 -3.103) 4.199 5.118 ( 0.165 -0.004 1.533) 1.542 5.131 ( -3.706 -0.235 1.347) 3.950 5.218 ( -4.248 0.483 3.520) 5.538 5.267 ( -4.073 0.309 4.056) 5.756 5.400 ( -0.311 2.923 -1.515) 3.307 5.534 ( 1.944 -1.191 -7.459) 7.800 5.543 ( 0.101 -0.533 -0.471) 0.718 5.587 ( -1.489 1.608 -1.005) 2.411 5.650 ( -5.213 -1.250 0.956) 5.446 5.702 ( -6.513 -2.419 3.932) 7.983 5.952 ( 1.711 0.411 -1.676) 2.430 6.003 ( 5.398 -0.131 -2.621) 6.002 6.282 ( -5.818 1.285 5.054) 7.813 6.345 ( 3.172 -0.635 -0.076) 3.236 6.365 ( 2.834 -1.479 3.598) 4.814 6.776 ( -3.208 3.785 1.000) 5.061 6.829 ( 1.284 -0.781 -8.229) 8.366 7.014 ( -2.536 -0.184 5.111) 5.709 7.121 ( -1.415 -4.493 0.707) 4.764 7.163 ( 2.362 0.345 1.759) 2.965 7.231 ( 0.277 -4.540 0.746) 4.609 7.300 ( 0.498 0.279 4.486) 4.522 7.566 ( -0.024 0.591 -3.255) 3.309 7.675 ( 0.455 3.129 1.391) 3.454 7.838 ( 1.496 -0.295 1.938) 2.466 8.061 ( 4.491 0.105 -0.973) 4.596 8.089 ( -0.489 -0.485 0.928) 1.155 8.218 ( -0.182 1.659 0.981) 1.936 8.258 ( 0.766 0.955 2.199) 2.517 9.532 ( 0.251 -0.811 0.031) 0.849 9.588 ( -0.716 0.558 -0.684) 1.137 9.660 ( -0.616 0.375 -4.166) 4.228 9.904 ( -3.365 1.013 -0.793) 3.602 9.914 ( 1.659 0.310 -7.120) 7.317 9.953 ( 0.248 -2.211 0.318) 2.247 10.056 ( 1.145 0.201 2.597) 2.845 10.135 ( 1.395 -1.036 -0.099) 1.741 10.386 ( -0.781 1.706 -1.473) 2.386 10.468 ( -0.534 -4.404 -2.938) 5.321 10.762 ( -2.182 0.856 3.952) 4.594 10.936 ( -3.385 0.759 1.750) 3.885 10.999 ( -1.197 -1.623 -0.739) 2.147 11.047 ( -1.720 0.611 -0.945) 2.055 11.154 ( -2.838 0.958 2.457) 3.874 11.252 ( 6.108 1.814 -6.884) 9.380 11.434 ( 3.026 -0.310 -1.335) 3.322 11.454 ( -0.298 -2.340 0.609) 2.437 16.319 ( 8.455 6.527 -1.626) 10.804 16.524 ( -4.631 6.271 7.212) 10.620 16.700 ( 1.555 -0.473 5.363) 5.604 16.850 ( 5.642 -10.007 -3.724) 12.077 17.047 ( -9.158 -3.358 4.654) 10.808 17.748 ( -2.163 2.802 -7.918) 8.673 ======================= Grid point 166 (88/100) ======================= q-point: ( 0.57 0.29 -0.57) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 172 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.318 ( 3.927 -5.741 -0.922) 7.016 1.361 ( 2.711 -0.155 0.102) 2.718 1.579 ( -2.203 4.974 -2.567) 6.015 1.716 ( 3.830 -9.737 -1.025) 10.514 1.784 ( -5.544 0.582 -2.661) 6.177 1.946 ( -1.460 7.557 3.232) 8.348 2.062 ( 0.296 4.021 -2.505) 4.747 2.096 ( 2.040 4.295 -1.942) 5.137 2.379 ( -3.835 -9.543 -6.201) 12.009 2.531 ( 2.716 2.900 -3.985) 5.627 2.626 ( -3.769 3.171 4.644) 6.770 2.751 ( 7.228 -2.852 -3.726) 8.617 2.810 ( -2.050 -1.287 2.583) 3.540 2.860 ( -2.503 4.143 4.287) 6.466 3.068 ( -5.471 5.025 -0.740) 7.465 3.110 ( -1.409 2.503 -2.166) 3.597 3.175 ( 0.870 -0.025 -2.422) 2.574 3.273 ( -0.766 -0.727 1.943) 2.212 3.332 ( -0.229 1.013 -2.567) 2.769 3.370 ( 3.909 -0.691 1.371) 4.199 3.452 ( 3.876 -4.969 1.312) 6.438 3.681 ( -4.732 -5.186 2.782) 7.551 3.721 ( -2.378 3.716 1.206) 4.573 3.813 ( -1.660 3.013 -3.988) 5.267 3.851 ( 1.624 -8.174 -0.332) 8.340 3.977 ( -0.685 -6.804 -6.188) 9.222 4.187 ( 5.658 5.970 -2.156) 8.503 4.238 ( 2.573 3.423 2.127) 4.782 4.333 ( 1.733 0.520 3.764) 4.176 4.402 ( -1.069 5.736 -2.055) 6.186 4.490 ( -1.043 -3.606 2.546) 4.536 4.550 ( 2.741 -2.534 -0.054) 3.733 4.638 ( 0.842 1.241 -1.761) 2.314 4.711 ( 2.195 0.771 4.868) 5.396 4.813 ( 0.382 7.204 1.491) 7.367 4.883 ( 4.116 3.065 -0.785) 5.191 4.978 ( -5.933 1.252 -0.535) 6.088 5.075 ( -4.600 2.497 3.558) 6.329 5.173 ( 1.125 -2.004 2.141) 3.141 5.246 ( -2.039 -0.201 0.681) 2.159 5.298 ( 7.607 -5.075 -2.244) 9.416 5.371 ( -2.674 -1.476 3.663) 4.770 5.481 ( -2.304 2.269 -0.541) 3.278 5.526 ( 0.384 -0.088 -2.396) 2.428 5.568 ( 1.616 1.667 -5.338) 5.821 5.671 ( -2.621 -4.018 0.855) 4.873 5.726 ( 4.453 -5.591 -2.345) 7.522 5.920 ( -4.779 -2.185 -5.475) 7.589 6.013 ( 2.171 4.958 5.732) 7.883 6.266 ( 0.046 -0.694 -2.141) 2.251 6.374 ( -0.731 0.627 3.353) 3.488 6.452 ( 4.075 -1.596 2.286) 4.938 6.658 ( -4.784 6.656 0.700) 8.226 6.790 ( 1.802 -0.942 -8.238) 8.485 7.064 ( -0.687 -4.132 4.096) 5.858 7.150 ( -3.055 -3.032 1.983) 4.739 7.221 ( 1.127 -0.553 4.764) 4.926 7.311 ( 3.057 -3.936 -1.945) 5.350 7.330 ( -0.230 -0.289 3.687) 3.706 7.500 ( -2.081 3.118 -3.926) 5.428 7.665 ( 1.398 2.572 3.197) 4.335 7.830 ( -1.618 2.532 -0.426) 3.035 8.079 ( 0.137 0.538 0.633) 0.842 8.113 ( 2.368 -0.438 -0.913) 2.575 8.197 ( 0.278 2.469 0.888) 2.638 8.243 ( -0.764 2.918 0.795) 3.120 9.553 ( 0.745 -1.587 -0.339) 1.786 9.562 ( -0.998 0.305 -0.544) 1.177 9.650 ( 1.535 -0.513 -1.474) 2.190 9.789 ( -4.931 1.417 -4.857) 7.065 9.929 ( 1.227 -0.691 0.841) 1.640 9.974 ( -0.923 -1.541 -0.213) 1.809 10.111 ( 3.156 -1.159 1.821) 3.824 10.159 ( 1.188 -0.793 -0.723) 1.601 10.372 ( -0.512 -1.019 2.503) 2.751 10.514 ( 1.081 -6.252 -4.396) 7.719 10.784 ( 0.839 -0.299 3.802) 3.905 10.911 ( -3.059 -0.233 1.703) 3.509 10.989 ( -0.108 0.357 -1.821) 1.859 11.017 ( -2.050 -0.164 -0.231) 2.070 11.128 ( -2.370 1.498 2.112) 3.511 11.222 ( 3.418 2.894 -5.748) 7.287 11.464 ( 2.996 -0.642 -1.407) 3.372 11.483 ( -0.086 -2.081 -0.557) 2.156 16.287 ( 5.960 7.884 -0.788) 9.914 16.432 ( -5.603 5.442 2.108) 8.090 16.747 ( 5.002 2.671 4.465) 7.217 17.012 ( -11.209 -8.132 2.124) 14.010 17.077 ( 7.001 -6.568 3.867) 10.349 17.593 ( -4.265 3.333 -10.222) 11.567 ======================= Grid point 167 (89/100) ======================= q-point: (-0.29 0.29 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 172 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.403 ( -0.482 -2.577 1.789) 3.174 1.448 ( 4.332 -1.149 0.784) 4.550 1.568 ( -4.220 -3.813 9.812) 11.342 1.685 ( -3.717 0.417 0.192) 3.745 1.770 ( -1.209 6.541 -3.081) 7.330 1.848 ( 5.636 -5.240 -8.036) 11.126 2.117 ( 2.778 -2.903 5.133) 6.519 2.158 ( 4.963 -1.904 2.727) 5.975 2.393 ( -8.109 -8.130 0.457) 11.492 2.492 ( 2.576 1.884 0.511) 3.232 2.571 ( -3.501 -0.852 -3.262) 4.860 2.710 ( -2.837 10.471 -5.374) 12.107 2.824 ( -4.589 0.802 1.732) 4.970 2.872 ( 10.321 -0.001 -2.008) 10.514 2.970 ( -0.223 0.408 2.552) 2.594 3.031 ( -3.518 -0.681 -1.229) 3.788 3.238 ( -0.853 -2.987 -1.535) 3.466 3.265 ( 2.904 0.622 -2.932) 4.173 3.327 ( -2.588 -1.434 5.997) 6.687 3.423 ( 2.922 -1.789 -1.960) 3.947 3.517 ( -2.739 1.165 3.895) 4.902 3.611 ( -0.681 4.182 -3.719) 5.638 3.670 ( -3.477 3.588 4.506) 6.728 3.777 ( 2.666 0.182 -3.767) 4.619 3.958 ( 0.309 -3.718 0.943) 3.848 4.008 ( -0.318 -4.916 -3.672) 6.144 4.166 ( -4.208 1.541 0.237) 4.488 4.206 ( 3.850 2.919 -2.666) 5.519 4.285 ( 0.302 6.182 2.412) 6.643 4.355 ( 2.124 3.094 -3.015) 4.814 4.505 ( -6.003 0.604 7.558) 9.671 4.612 ( -1.715 1.950 3.344) 4.234 4.648 ( 5.968 -2.039 -4.434) 7.710 4.695 ( 1.043 0.227 -3.710) 3.861 4.806 ( -6.717 0.075 6.616) 9.429 4.889 ( 4.758 1.729 2.713) 5.744 4.923 ( 6.268 4.881 -1.923) 8.173 4.998 ( -2.731 2.143 -0.860) 3.576 5.224 ( -3.666 -3.968 3.555) 6.467 5.255 ( -2.219 -4.292 0.799) 4.897 5.376 ( -6.886 0.753 0.377) 6.937 5.403 ( 1.318 -4.595 -2.314) 5.311 5.453 ( 3.788 -2.959 -0.051) 4.807 5.548 ( 7.695 -3.711 -7.138) 11.133 5.606 ( 6.097 -0.985 2.034) 6.502 5.650 ( -6.567 -2.769 -0.772) 7.169 5.842 ( 5.297 -1.999 -1.873) 5.964 5.847 ( -5.951 -2.190 -2.203) 6.713 6.052 ( 2.550 0.684 7.650) 8.092 6.233 ( 2.469 1.536 -8.885) 9.349 6.365 ( -1.172 3.113 3.488) 4.820 6.448 ( 0.682 5.651 -3.797) 6.843 6.602 ( -2.594 -0.117 6.492) 6.992 6.756 ( 2.552 -0.563 -8.080) 8.492 7.123 ( -3.102 0.147 5.331) 6.170 7.189 ( 2.692 -2.871 -0.793) 4.015 7.280 ( -1.219 -2.538 5.346) 6.042 7.319 ( -1.089 2.668 4.384) 5.247 7.378 ( 0.597 -3.311 -3.669) 4.978 7.398 ( -1.812 3.997 -2.721) 5.164 7.679 ( 1.999 2.586 3.202) 4.575 7.746 ( -2.425 3.808 -2.413) 5.119 8.074 ( -0.906 0.649 1.393) 1.784 8.106 ( -0.475 1.914 -0.968) 2.197 8.185 ( 1.029 1.570 0.395) 1.919 8.197 ( 0.385 3.002 -0.569) 3.079 9.561 ( -0.333 -1.094 0.696) 1.338 9.580 ( 0.562 -1.952 -0.938) 2.238 9.664 ( -0.495 -0.041 0.746) 0.896 9.705 ( -1.129 0.278 -3.017) 3.234 9.962 ( -0.119 -1.375 1.576) 2.095 9.986 ( 0.471 -1.483 -0.220) 1.571 10.141 ( 0.169 1.047 0.437) 1.147 10.168 ( 1.379 0.093 -1.720) 2.206 10.466 ( 2.036 -6.859 5.106) 8.790 10.569 ( -1.423 -7.078 -4.704) 8.617 10.838 ( 2.291 -0.723 3.367) 4.136 10.894 ( -1.415 -0.385 -1.337) 1.984 10.980 ( 1.652 1.075 0.530) 2.041 11.003 ( -0.458 -0.714 -1.083) 1.375 11.098 ( -2.850 1.451 2.412) 4.006 11.169 ( 1.686 2.560 -4.384) 5.349 11.485 ( -0.149 -0.523 -0.963) 1.106 11.495 ( 2.765 0.067 -2.036) 3.434 16.240 ( -1.630 6.102 3.060) 7.018 16.310 ( 0.129 4.955 -3.498) 6.066 16.808 ( 1.239 4.324 9.962) 10.930 16.962 ( -4.335 -1.992 -4.384) 6.480 17.278 ( 4.362 -5.493 5.555) 8.948 17.445 ( -3.109 -0.858 -8.870) 9.438 ======================= Grid point 168 (90/100) ======================= q-point: (-0.14 0.29 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 172 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.400 ( -4.041 -2.537 -1.978) 5.165 1.517 ( 6.464 -0.030 1.217) 6.577 1.572 ( -5.989 -1.712 6.162) 8.762 1.700 ( 3.403 -2.206 3.510) 5.364 1.877 ( 7.402 -5.909 3.378) 10.055 1.901 ( 5.317 -6.428 -10.960) 13.774 2.119 ( -6.308 -0.257 -2.092) 6.651 2.216 ( 1.474 -0.243 -1.964) 2.467 2.430 ( -9.263 6.703 -7.926) 13.912 2.500 ( 0.490 3.008 6.472) 7.154 2.551 ( 2.042 -2.623 6.682) 7.463 2.576 ( -0.111 -8.031 1.420) 8.156 2.740 ( -3.051 3.285 0.288) 4.492 2.962 ( 8.450 -1.244 -5.384) 10.096 3.018 ( -1.053 -2.509 -0.980) 2.892 3.037 ( 1.579 -0.131 3.546) 3.884 3.169 ( -6.130 -0.676 -0.773) 6.215 3.317 ( -6.146 -0.751 1.752) 6.435 3.364 ( 7.630 -2.143 0.524) 7.942 3.457 ( -1.892 -0.926 -0.811) 2.257 3.487 ( -0.525 -0.020 3.256) 3.298 3.576 ( 5.791 2.933 1.564) 6.677 3.628 ( 0.537 7.029 4.172) 8.192 3.769 ( 4.997 0.580 -6.130) 7.930 3.935 ( -3.282 5.327 0.233) 6.261 4.003 ( 1.944 3.798 -1.884) 4.664 4.079 ( -7.869 -0.422 0.354) 7.889 4.202 ( -3.663 0.393 2.459) 4.429 4.271 ( 2.163 0.011 -1.842) 2.841 4.326 ( 2.967 1.246 -1.030) 3.379 4.465 ( -3.930 3.057 4.477) 6.696 4.573 ( -4.378 1.472 3.885) 6.036 4.620 ( 0.012 3.404 -3.965) 5.225 4.729 ( 3.803 0.678 -0.652) 3.918 4.783 ( 0.135 -1.099 -3.992) 4.143 4.903 ( -2.792 -4.067 -0.656) 4.977 4.928 ( 4.461 0.667 -1.047) 4.631 5.051 ( 8.359 0.003 -0.198) 8.361 5.262 ( -6.235 -5.189 4.302) 9.182 5.291 ( -7.210 -0.999 5.432) 9.082 5.327 ( -5.660 -9.261 1.455) 10.951 5.443 ( 0.562 -3.338 -2.233) 4.055 5.543 ( 3.946 -3.532 -0.687) 5.340 5.600 ( -5.991 -2.373 -1.275) 6.569 5.617 ( 4.643 -2.681 -7.483) 9.206 5.702 ( -0.822 -2.296 5.020) 5.582 5.842 ( 2.882 -1.211 -3.665) 4.817 5.870 ( 2.105 -0.273 2.811) 3.523 6.115 ( -0.708 -0.438 0.369) 0.910 6.127 ( 1.457 6.756 -8.700) 11.111 6.349 ( 3.387 7.246 0.695) 8.029 6.389 ( 5.025 -0.995 0.504) 5.148 6.591 ( -7.366 0.643 2.960) 7.964 6.764 ( 5.674 -1.821 -3.605) 6.964 7.088 ( -4.800 4.434 5.534) 8.563 7.195 ( 1.761 4.230 -2.827) 5.384 7.293 ( -2.699 2.355 1.875) 4.043 7.305 ( -3.960 1.027 0.898) 4.188 7.350 ( 0.950 1.954 0.141) 2.177 7.401 ( 2.025 -3.573 0.598) 4.150 7.655 ( -1.588 1.519 -1.132) 2.472 7.716 ( 3.814 1.690 1.403) 4.401 8.057 ( -2.643 0.398 -0.476) 2.715 8.073 ( 0.329 2.002 2.327) 3.087 8.151 ( -0.235 2.234 -0.723) 2.359 8.193 ( 2.481 1.072 -0.998) 2.881 9.585 ( -0.826 -0.718 0.046) 1.096 9.597 ( 0.215 -2.725 -0.575) 2.793 9.639 ( -2.845 -0.200 0.971) 3.013 9.730 ( 4.502 -0.832 0.320) 4.589 9.986 ( -0.379 -1.249 0.983) 1.634 10.014 ( 1.197 -1.304 -0.805) 1.944 10.119 ( -1.168 1.467 1.032) 2.141 10.157 ( 0.892 0.928 -2.652) 2.948 10.565 ( -5.415 -4.291 -4.824) 8.426 10.619 ( -2.399 -8.359 4.138) 9.630 10.880 ( 0.104 -0.999 -2.877) 3.047 10.904 ( 3.066 -1.101 2.132) 3.893 10.992 ( 0.112 2.015 1.846) 2.735 11.000 ( 4.346 0.242 -3.234) 5.422 11.080 ( -1.188 -0.312 2.161) 2.485 11.147 ( 2.051 -0.527 -2.116) 2.993 11.461 ( -0.890 1.356 -1.291) 2.073 11.502 ( 2.341 1.458 -1.537) 3.158 16.121 ( -7.603 3.540 1.227) 8.475 16.301 ( 7.872 3.902 0.992) 8.842 16.764 ( -8.200 2.309 2.907) 9.002 16.954 ( 7.463 4.508 -1.711) 8.885 17.304 ( -8.267 -1.227 2.269) 8.660 17.506 ( 8.293 -5.847 -1.358) 10.237 ======================= Grid point 172 (91/100) ======================= q-point: ( 0.43 0.43 -0.57) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.256 ( 5.447 0.000 -11.249) 12.499 1.347 ( -1.030 -0.000 -0.649) 1.217 1.555 ( 0.854 0.000 1.014) 1.326 1.675 ( -0.719 -0.000 -5.829) 5.873 1.768 ( -4.300 -0.000 1.365) 4.512 2.025 ( -2.117 -0.000 -6.850) 7.170 2.172 ( 0.207 0.000 -9.623) 9.626 2.259 ( 7.014 0.000 -2.287) 7.377 2.282 ( -0.510 -0.000 2.335) 2.390 2.407 ( -9.090 -0.000 -12.049) 15.093 2.576 ( 9.695 0.000 0.397) 9.703 2.780 ( -2.096 -0.000 6.398) 6.732 2.802 ( -8.046 -0.000 5.515) 9.755 2.996 ( -7.221 -0.000 -0.077) 7.222 3.153 ( 3.139 0.000 6.819) 7.507 3.168 ( 8.694 0.000 -6.116) 10.630 3.194 ( -1.842 -0.000 1.340) 2.278 3.219 ( 4.887 0.000 -0.096) 4.888 3.308 ( 4.399 0.000 5.298) 6.886 3.358 ( -8.071 -0.000 5.824) 9.953 3.474 ( 3.879 0.000 -4.887) 6.239 3.616 ( 0.229 0.000 2.639) 2.649 3.684 ( 7.121 0.000 -7.467) 10.318 3.730 ( -8.493 -0.000 -3.628) 9.236 3.857 ( -2.546 -0.000 -3.253) 4.130 3.866 ( -1.152 -0.000 -2.634) 2.875 4.210 ( 2.448 0.000 3.199) 4.028 4.306 ( 4.369 0.000 -1.288) 4.555 4.307 ( -2.422 -0.000 2.932) 3.803 4.501 ( -7.127 -0.000 3.399) 7.896 4.513 ( 6.210 0.000 -4.609) 7.734 4.527 ( 1.882 0.000 -2.144) 2.853 4.600 ( 6.481 0.000 4.311) 7.784 4.689 ( 0.717 0.000 -4.901) 4.953 4.935 ( -2.385 -0.000 5.150) 5.675 4.951 ( -3.855 -0.000 1.499) 4.136 5.023 ( 2.817 0.000 3.638) 4.601 5.103 ( -3.226 -0.000 4.640) 5.651 5.163 ( 9.952 0.000 -1.119) 10.015 5.197 ( -4.922 -0.000 3.915) 6.289 5.281 ( 3.213 0.000 -3.016) 4.407 5.396 ( -4.946 -0.000 -2.992) 5.781 5.493 ( 1.194 0.000 1.021) 1.571 5.541 ( 2.124 0.000 -3.209) 3.848 5.579 ( -1.393 -0.000 -1.310) 1.912 5.618 ( 6.531 0.000 -3.320) 7.327 5.623 ( -9.232 -0.000 4.158) 10.125 5.884 ( -3.541 -0.000 -9.046) 9.715 6.099 ( 7.181 0.000 1.602) 7.357 6.219 ( -8.318 -0.000 3.423) 8.994 6.389 ( -4.459 -0.000 10.429) 11.342 6.450 ( 10.199 0.000 -1.542) 10.315 6.749 ( -5.338 -0.000 -0.079) 5.338 6.778 ( 3.508 0.000 -9.685) 10.301 7.026 ( -4.156 -0.000 1.829) 4.541 7.052 ( -2.542 -0.000 2.835) 3.808 7.210 ( -2.614 -0.000 4.895) 5.549 7.223 ( 7.689 0.000 -2.283) 8.021 7.346 ( -0.373 -0.000 5.859) 5.871 7.541 ( -0.906 -0.000 -3.240) 3.364 7.727 ( 1.633 0.000 2.497) 2.984 7.850 ( -0.424 -0.000 0.017) 0.424 8.088 ( -0.367 -0.000 0.790) 0.871 8.102 ( 3.293 0.000 -0.686) 3.364 8.235 ( 0.221 0.000 1.246) 1.265 8.286 ( -0.396 -0.000 1.472) 1.525 9.530 ( 0.353 0.000 0.066) 0.359 9.569 ( -1.575 -0.000 -1.666) 2.292 9.642 ( 1.742 0.000 -1.351) 2.204 9.814 ( -5.352 -0.000 -5.289) 7.525 9.936 ( 3.941 0.000 -2.596) 4.719 9.938 ( -0.963 -0.000 1.013) 1.397 10.086 ( 1.945 0.000 1.321) 2.351 10.137 ( 0.445 0.000 -0.452) 0.634 10.384 ( -3.439 -0.000 1.161) 3.630 10.408 ( 2.695 0.000 -4.053) 4.867 10.784 ( -0.473 -0.000 4.140) 4.167 10.918 ( -2.518 -0.000 -0.432) 2.554 10.973 ( -0.345 -0.000 0.209) 0.403 11.021 ( -1.107 -0.000 -2.126) 2.397 11.153 ( -3.742 -0.000 4.349) 5.737 11.274 ( 5.500 0.000 -7.297) 9.138 11.435 ( -1.455 -0.000 1.673) 2.217 11.455 ( 3.656 0.000 -2.530) 4.446 16.424 ( 4.202 0.000 1.043) 4.329 16.614 ( -4.023 -0.000 0.087) 4.024 16.724 ( -1.965 -0.000 11.066) 11.239 16.804 ( 8.812 0.000 -8.891) 12.518 17.002 ( -4.540 -0.000 11.426) 12.295 17.645 ( -5.014 -0.000 -11.781) 12.803 ======================= Grid point 173 (92/100) ======================= q-point: (-0.43 -0.57 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 172 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.281 ( 3.601 -3.884 -2.181) 5.728 1.339 ( -0.388 -5.331 -5.264) 7.502 1.538 ( -2.017 -2.681 -1.667) 3.746 1.603 ( -0.433 2.497 -6.395) 6.879 1.847 ( 2.801 0.415 11.599) 11.939 2.001 ( 2.005 -3.289 1.809) 4.256 2.078 ( -8.107 11.954 -5.433) 15.432 2.143 ( -0.796 -4.275 -7.786) 8.918 2.265 ( 4.355 4.139 1.651) 6.231 2.357 ( -5.623 -7.437 -7.765) 12.134 2.699 ( -11.057 2.149 5.436) 12.508 2.769 ( 12.904 -5.206 -1.656) 14.012 2.833 ( 2.165 -0.630 4.922) 5.414 2.892 ( -3.447 2.898 -0.748) 4.565 3.107 ( -5.382 7.771 0.794) 9.486 3.144 ( 4.378 6.444 -4.012) 8.763 3.210 ( -5.127 2.550 5.862) 8.195 3.292 ( -0.874 -2.185 2.137) 3.179 3.318 ( 5.806 2.435 -0.792) 6.346 3.392 ( 0.850 0.232 -1.209) 1.496 3.506 ( 0.300 -3.289 3.991) 5.180 3.568 ( -2.238 0.040 -3.276) 3.968 3.697 ( -0.989 -7.625 1.292) 7.797 3.756 ( 2.929 -2.768 -2.573) 4.781 3.831 ( 1.606 -1.758 -3.422) 4.169 3.848 ( 0.324 -1.021 -4.019) 4.160 4.281 ( 0.419 3.325 1.888) 3.847 4.294 ( -1.184 0.620 2.927) 3.218 4.334 ( 0.715 -4.135 0.596) 4.238 4.385 ( -1.932 1.787 -6.388) 6.909 4.496 ( -2.913 1.313 3.967) 5.093 4.574 ( 3.095 -0.191 -2.980) 4.301 4.644 ( -2.708 0.461 3.466) 4.422 4.702 ( 3.305 -0.840 -2.075) 3.992 4.881 ( -8.758 3.084 5.526) 10.805 4.935 ( -2.661 0.513 2.658) 3.796 5.057 ( 2.578 4.342 5.403) 7.395 5.097 ( 0.845 3.396 0.995) 3.638 5.172 ( -0.816 0.417 -0.419) 1.008 5.255 ( 0.784 1.736 -1.265) 2.286 5.302 ( 6.168 -1.346 -3.536) 7.236 5.357 ( 8.025 -2.514 -5.477) 10.036 5.468 ( -6.223 1.498 4.283) 7.702 5.515 ( -3.983 1.542 1.905) 4.677 5.592 ( 0.607 -1.900 -0.999) 2.230 5.624 ( 6.270 -0.083 -2.329) 6.689 5.710 ( 8.713 -4.507 -2.155) 10.044 5.757 ( -8.621 -2.490 -7.470) 11.675 6.131 ( -2.473 3.396 4.699) 6.303 6.200 ( 2.336 -1.908 -1.988) 3.612 6.412 ( -6.830 -0.720 8.779) 11.147 6.538 ( 10.283 2.173 -1.945) 10.689 6.669 ( -4.611 2.956 -0.077) 5.477 6.740 ( 2.046 -0.231 -7.501) 7.778 7.048 ( 2.118 -3.690 2.499) 4.935 7.074 ( -1.845 -3.791 0.345) 4.230 7.221 ( -4.011 -1.532 4.256) 6.045 7.291 ( 4.390 -2.226 -2.573) 5.554 7.377 ( -1.297 1.517 6.244) 6.556 7.484 ( -2.004 1.962 -3.549) 4.524 7.755 ( 2.315 2.481 3.933) 5.194 7.822 ( -2.744 1.068 -1.710) 3.406 8.085 ( -1.014 0.465 1.137) 1.593 8.120 ( 1.293 -0.380 -1.675) 2.150 8.246 ( 1.044 1.914 1.847) 2.858 8.269 ( -1.200 1.750 -0.089) 2.124 9.539 ( -0.325 -0.513 0.001) 0.607 9.547 ( -0.047 -0.550 -0.824) 0.992 9.666 ( 2.020 0.129 1.067) 2.288 9.719 ( -3.863 0.547 -3.808) 5.452 9.934 ( -1.194 -0.654 0.556) 1.470 9.959 ( 2.611 -0.328 -1.429) 2.994 10.128 ( 2.128 -1.518 0.155) 2.619 10.142 ( -0.278 -1.575 -0.860) 1.815 10.367 ( -1.768 -0.994 2.087) 2.910 10.427 ( 1.888 -2.814 -3.714) 5.028 10.823 ( 1.277 -0.321 3.901) 4.117 10.886 ( -1.788 -0.135 -1.245) 2.183 10.983 ( 1.431 -0.374 -0.146) 1.486 10.996 ( -0.164 0.082 -1.832) 1.841 11.139 ( -3.938 1.112 4.606) 6.161 11.250 ( 3.319 2.778 -5.944) 7.353 11.446 ( -0.990 -2.022 0.413) 2.289 11.477 ( 3.394 -0.659 -2.616) 4.335 16.432 ( 0.048 7.219 3.632) 8.081 16.485 ( -1.457 7.513 -1.869) 7.878 16.798 ( -9.055 -8.417 2.955) 12.712 16.855 ( 7.696 -1.581 -1.930) 8.090 17.145 ( 5.088 -3.029 14.323) 15.498 17.469 ( -5.294 1.415 -14.141) 15.165 ======================= Grid point 174 (93/100) ======================= q-point: (-0.29 -0.57 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 172 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.330 ( -4.383 -7.738 -1.830) 9.079 1.440 ( 2.988 -5.978 -3.547) 7.566 1.506 ( -7.459 -3.367 4.068) 9.139 1.581 ( 1.774 0.743 0.493) 1.986 1.845 ( 0.598 7.418 -3.616) 8.274 1.962 ( 5.810 1.518 6.950) 9.185 2.087 ( -3.275 -4.275 -6.630) 8.542 2.129 ( 1.924 -1.073 -1.635) 2.743 2.286 ( -3.441 -4.098 1.811) 5.649 2.364 ( 1.557 -7.044 3.281) 7.926 2.634 ( -6.742 0.481 7.039) 9.759 2.789 ( -2.435 11.021 -3.429) 11.796 2.838 ( 0.722 4.306 -3.092) 5.350 2.919 ( 3.993 -1.030 0.433) 4.146 3.017 ( 3.505 -0.846 3.494) 5.021 3.072 ( 4.822 7.448 -0.592) 8.893 3.147 ( -5.312 -0.639 -0.038) 5.350 3.265 ( -10.479 -0.993 3.003) 10.945 3.336 ( 4.026 0.208 -2.166) 4.576 3.414 ( 4.251 -0.134 -2.212) 4.794 3.481 ( -8.057 -5.363 -1.198) 9.752 3.644 ( 8.011 3.885 4.429) 9.945 3.755 ( 1.318 1.155 1.537) 2.331 3.791 ( 2.404 0.391 -2.544) 3.522 3.860 ( -1.999 -8.932 -0.982) 9.206 3.907 ( 2.254 -6.801 -0.927) 7.225 4.154 ( -5.683 5.927 -0.005) 8.211 4.261 ( -1.928 4.545 -0.992) 5.035 4.363 ( 1.649 2.744 -0.827) 3.306 4.406 ( 3.823 -0.280 -1.084) 3.984 4.478 ( -5.893 -1.217 5.670) 8.268 4.577 ( -2.974 -2.540 -1.665) 4.251 4.612 ( -1.200 -1.044 -0.898) 1.826 4.752 ( 5.733 -0.143 -0.479) 5.754 4.780 ( -8.956 3.808 5.903) 11.382 4.883 ( -6.327 2.086 -0.445) 6.677 5.023 ( 3.525 3.840 -2.885) 5.958 5.101 ( -1.730 1.378 5.105) 5.564 5.151 ( -0.552 -0.482 -1.059) 1.288 5.236 ( 4.037 2.049 -2.801) 5.324 5.337 ( -2.327 1.428 1.424) 3.079 5.377 ( 1.822 -0.261 -0.110) 1.844 5.476 ( -3.408 -0.461 3.744) 5.084 5.522 ( 8.487 -2.881 -7.887) 11.939 5.599 ( 4.356 1.162 -3.752) 5.865 5.675 ( 0.309 -0.719 1.013) 1.280 5.697 ( 1.043 -5.650 -2.240) 6.167 5.854 ( 5.373 -4.532 0.159) 7.031 6.070 ( -7.284 0.346 1.908) 7.538 6.259 ( 9.186 1.200 -2.481) 9.590 6.375 ( -8.128 0.801 2.723) 8.609 6.540 ( 3.912 5.026 -3.955) 7.497 6.634 ( 0.080 2.419 4.833) 5.405 6.718 ( 2.566 -0.997 -5.188) 5.873 7.106 ( -1.123 -2.552 0.473) 2.828 7.169 ( 4.438 -4.899 0.879) 6.668 7.227 ( -6.564 -3.430 3.707) 8.282 7.322 ( 0.157 -1.627 -3.452) 3.820 7.388 ( -0.095 1.970 4.912) 5.293 7.407 ( -1.329 2.354 -1.531) 3.107 7.730 ( -3.247 3.317 -1.302) 4.821 7.786 ( 2.278 2.685 2.496) 4.316 8.070 ( -3.036 0.524 1.642) 3.491 8.116 ( 0.772 0.368 -1.553) 1.773 8.212 ( -0.970 2.663 -0.346) 2.855 8.247 ( 1.325 2.673 0.309) 3.000 9.539 ( -0.908 -1.120 0.460) 1.513 9.564 ( 0.998 -1.038 -0.461) 1.512 9.645 ( -3.001 0.592 -0.405) 3.086 9.715 ( 2.760 -0.307 1.638) 3.224 9.941 ( -0.523 -1.708 -0.105) 1.789 9.986 ( 2.411 -0.877 -0.832) 2.697 10.147 ( -0.529 0.080 -0.559) 0.773 10.150 ( -0.772 -1.572 -1.520) 2.319 10.407 ( -2.475 -5.252 1.436) 5.981 10.467 ( 2.350 -3.683 -2.158) 4.873 10.851 ( -0.927 -0.411 -1.878) 2.134 10.887 ( 1.848 -0.765 2.732) 3.386 10.991 ( 1.955 -0.280 -1.573) 2.525 11.017 ( 3.583 -0.474 -0.136) 3.616 11.111 ( -4.204 1.944 4.270) 6.300 11.190 ( 0.898 3.381 -3.502) 4.950 11.459 ( -0.304 -1.380 -1.254) 1.889 11.504 ( 2.946 -1.015 -2.370) 3.915 16.274 ( -7.945 8.278 1.138) 11.530 16.436 ( 6.337 6.499 0.354) 9.083 16.765 ( -11.505 -3.091 0.911) 11.948 17.007 ( 10.050 -2.872 4.020) 11.199 17.290 ( -3.933 0.622 -11.573) 12.239 17.355 ( 5.450 -3.711 9.052) 11.198 ======================= Grid point 175 (94/100) ======================= q-point: (-0.14 -0.57 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 172 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.326 ( -3.458 -0.045 -1.480) 3.762 1.445 ( -1.730 -6.784 -7.505) 10.263 1.590 ( -4.788 -7.474 7.990) 11.943 1.615 ( 0.120 -4.134 4.967) 6.463 1.837 ( 3.037 -1.309 -2.543) 4.172 1.974 ( -3.704 -0.364 -8.426) 9.212 2.042 ( 8.358 3.581 0.172) 9.094 2.147 ( 0.602 -4.380 -3.906) 5.899 2.388 ( -6.151 7.583 -1.715) 9.913 2.461 ( -0.200 -9.349 3.824) 10.103 2.610 ( 1.118 0.979 3.603) 3.898 2.611 ( -3.170 3.177 6.643) 8.017 2.809 ( 2.174 2.986 2.867) 4.676 2.925 ( 1.127 -0.473 -3.090) 3.323 3.039 ( -0.298 1.732 0.602) 1.857 3.065 ( -1.686 0.966 0.441) 1.993 3.186 ( 4.255 -0.385 5.480) 6.949 3.241 ( -2.110 -4.752 2.665) 5.842 3.370 ( -1.262 -3.843 -2.835) 4.939 3.403 ( 1.148 -1.553 -4.650) 5.035 3.470 ( -1.864 0.992 2.293) 3.117 3.712 ( 7.939 1.168 0.804) 8.064 3.762 ( 2.361 3.490 1.510) 4.476 3.782 ( 1.993 1.995 1.098) 3.026 3.921 ( -6.298 -7.529 -1.231) 9.893 3.970 ( -3.063 3.240 0.985) 4.566 4.055 ( -0.003 1.288 -0.380) 1.343 4.168 ( -2.915 2.980 0.006) 4.169 4.295 ( -1.591 4.267 0.131) 4.556 4.409 ( 2.804 2.898 -1.805) 4.418 4.472 ( -4.529 0.914 3.584) 5.848 4.548 ( -1.899 -1.370 -0.022) 2.341 4.645 ( 1.411 0.965 -2.641) 3.146 4.688 ( -6.203 -2.784 -0.481) 6.816 4.762 ( 0.688 3.732 -3.603) 5.233 4.826 ( 2.297 -1.640 -0.559) 2.877 5.042 ( 3.371 1.651 2.325) 4.415 5.084 ( -2.487 -2.579 -0.422) 3.607 5.153 ( -4.845 -4.451 1.405) 6.727 5.248 ( 4.427 1.013 -1.678) 4.842 5.296 ( -4.787 2.750 7.488) 9.303 5.397 ( -0.838 -0.541 -0.585) 1.156 5.469 ( -2.932 -3.984 -1.405) 5.142 5.573 ( 2.374 -1.403 -3.847) 4.733 5.612 ( 8.273 1.900 -3.147) 9.053 5.693 ( -0.690 -1.010 0.674) 1.396 5.827 ( 6.852 -5.325 -1.320) 8.778 5.898 ( -0.065 1.223 -0.252) 1.250 6.044 ( -1.049 -3.410 -1.887) 4.036 6.203 ( -0.896 7.896 -4.528) 9.146 6.390 ( -0.106 -4.587 3.417) 5.720 6.482 ( 3.356 4.362 -3.093) 6.314 6.608 ( 0.704 6.405 1.612) 6.642 6.759 ( 2.703 -3.268 0.468) 4.267 7.097 ( -5.135 0.726 2.953) 5.968 7.203 ( -3.161 -0.123 -1.985) 3.735 7.247 ( 0.481 -1.718 -1.133) 2.113 7.297 ( -1.922 0.807 -0.430) 2.128 7.362 ( -0.955 -1.992 -0.030) 2.209 7.445 ( 3.521 1.391 4.333) 5.754 7.656 ( -1.030 2.046 -1.730) 2.871 7.793 ( 2.021 2.179 2.320) 3.770 8.029 ( -4.292 0.476 0.838) 4.399 8.115 ( 1.042 0.771 0.722) 1.483 8.168 ( -0.214 2.425 -1.310) 2.765 8.228 ( 1.166 1.811 -0.415) 2.194 9.556 ( -0.735 -2.246 0.247) 2.376 9.575 ( 0.219 0.183 -0.533) 0.605 9.623 ( -1.127 -0.440 1.287) 1.766 9.778 ( 3.655 -1.021 3.283) 5.018 9.963 ( 0.510 -2.188 -1.324) 2.608 10.009 ( 1.069 -0.337 -1.113) 1.580 10.130 ( -1.507 0.173 0.473) 1.589 10.132 ( -1.151 -0.143 -2.443) 2.704 10.431 ( -3.107 -4.113 -3.197) 6.066 10.532 ( -1.143 -4.096 2.024) 4.709 10.832 ( -0.528 -1.086 -3.202) 3.422 10.939 ( 1.443 -0.532 2.832) 3.223 11.019 ( 0.592 0.352 1.032) 1.241 11.033 ( 2.357 1.517 -2.111) 3.509 11.094 ( 1.508 -0.509 1.267) 2.035 11.151 ( 0.440 0.710 -0.657) 1.062 11.453 ( 0.139 0.152 -2.031) 2.041 11.523 ( 1.922 -0.060 -1.672) 2.548 16.113 ( -6.010 5.051 1.370) 7.969 16.447 ( 6.499 4.143 1.731) 7.899 16.669 ( -9.425 -0.578 -0.379) 9.450 17.114 ( 5.979 5.797 -3.788) 9.149 17.219 ( -1.203 -4.190 1.727) 4.689 17.516 ( 4.927 -4.269 4.002) 7.650 ======================= Grid point 180 (95/100) ======================= q-point: (-0.43 -0.43 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.160 ( -7.790 -0.000 -3.704) 8.625 1.321 ( 5.061 0.000 -0.050) 5.061 1.562 ( 2.999 0.000 5.129) 5.941 1.572 ( 0.124 0.000 -5.666) 5.668 1.940 ( -1.629 -0.000 5.619) 5.850 1.959 ( -1.527 -0.000 -7.144) 7.305 2.026 ( -6.060 -0.000 -1.506) 6.244 2.157 ( 7.059 0.000 8.087) 10.735 2.220 ( -5.440 -0.000 0.679) 5.483 2.316 ( -0.810 -0.000 -1.279) 1.514 2.590 ( -8.898 -0.000 0.030) 8.898 2.869 ( 6.049 0.000 1.955) 6.357 2.872 ( 0.862 0.000 -2.973) 3.096 2.936 ( 11.974 0.000 3.891) 12.590 3.097 ( -8.960 -0.000 1.826) 9.144 3.176 ( -7.744 -0.000 4.337) 8.876 3.218 ( 1.188 0.000 -2.849) 3.087 3.277 ( -15.613 -0.000 6.027) 16.736 3.325 ( -0.042 -0.000 -4.322) 4.322 3.426 ( 4.228 0.000 -0.516) 4.259 3.429 ( -0.143 -0.000 -3.321) 3.324 3.609 ( 6.693 0.000 1.475) 6.853 3.688 ( 1.890 0.000 -5.109) 5.447 3.704 ( 8.498 0.000 -2.360) 8.819 3.820 ( 0.379 0.000 0.956) 1.029 3.861 ( 3.231 0.000 -2.274) 3.951 4.260 ( -3.458 -0.000 -0.198) 3.464 4.282 ( -7.074 -0.000 0.790) 7.118 4.335 ( 2.135 0.000 0.729) 2.256 4.383 ( 1.702 0.000 4.826) 5.118 4.465 ( -6.402 -0.000 -0.342) 6.411 4.590 ( 1.579 0.000 2.390) 2.864 4.649 ( 0.387 0.000 -3.285) 3.308 4.673 ( -4.322 -0.000 -1.698) 4.643 4.863 ( -9.557 -0.000 6.810) 11.735 4.935 ( 0.277 0.000 3.836) 3.846 5.069 ( -11.512 -0.000 6.135) 13.045 5.118 ( 0.517 0.000 -5.303) 5.328 5.176 ( 4.329 0.000 -4.295) 6.098 5.318 ( 5.437 0.000 -3.983) 6.740 5.338 ( 11.357 0.000 -2.311) 11.589 5.418 ( 7.873 0.000 -6.246) 10.050 5.455 ( -3.358 -0.000 4.553) 5.658 5.489 ( -1.955 -0.000 3.767) 4.244 5.541 ( -10.415 -0.000 -0.415) 10.423 5.645 ( 7.870 0.000 -6.722) 10.350 5.683 ( 3.657 0.000 2.821) 4.619 5.773 ( 9.966 0.000 -3.241) 10.480 6.104 ( -6.562 -0.000 1.267) 6.683 6.246 ( 2.849 0.000 1.013) 3.024 6.386 ( -5.099 -0.000 5.348) 7.389 6.616 ( 6.525 0.000 -10.142) 12.060 6.638 ( -5.367 -0.000 2.435) 5.893 6.737 ( 5.221 0.000 0.536) 5.248 7.059 ( 3.035 0.000 -1.176) 3.255 7.068 ( 4.755 0.000 1.444) 4.969 7.175 ( -7.167 -0.000 2.378) 7.552 7.291 ( 1.833 0.000 -2.907) 3.437 7.427 ( -1.879 -0.000 7.320) 7.557 7.442 ( -3.114 -0.000 -2.947) 4.288 7.779 ( -3.271 -0.000 -1.735) 3.703 7.819 ( 1.185 0.000 2.732) 2.978 8.079 ( -2.670 -0.000 0.985) 2.846 8.113 ( 0.764 0.000 -1.497) 1.681 8.257 ( -1.603 -0.000 -0.612) 1.716 8.287 ( 0.850 0.000 1.361) 1.604 9.532 ( -0.405 -0.000 -0.228) 0.465 9.545 ( 0.840 0.000 0.534) 0.995 9.657 ( -2.991 -0.000 -2.403) 3.837 9.711 ( 1.694 0.000 3.777) 4.139 9.917 ( -0.707 -0.000 -0.340) 0.784 9.975 ( 2.635 0.000 -1.949) 3.278 10.113 ( -0.760 -0.000 -1.132) 1.363 10.132 ( 0.724 0.000 -0.855) 1.120 10.348 ( -2.364 -0.000 1.828) 2.988 10.421 ( 3.304 0.000 -2.435) 4.104 10.857 ( -0.630 -0.000 -2.088) 2.181 10.867 ( 1.396 0.000 3.664) 3.921 10.988 ( 1.548 0.000 -1.751) 2.337 11.005 ( 3.069 0.000 -0.207) 3.076 11.139 ( -5.048 -0.000 5.653) 7.579 11.261 ( 3.436 0.000 -6.189) 7.079 11.420 ( -1.871 -0.000 1.029) 2.136 11.484 ( 3.020 0.000 -3.164) 4.374 16.462 ( -7.048 -0.000 -2.441) 7.459 16.568 ( 3.838 0.000 5.157) 6.428 16.664 ( -8.607 -0.000 4.360) 9.648 16.878 ( 7.327 0.000 -5.558) 9.197 17.311 ( -2.426 -0.000 -15.594) 15.781 17.326 ( 5.231 0.000 18.058) 18.800 ======================= Grid point 181 (96/100) ======================= q-point: (-0.29 -0.43 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 172 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.142 ( -4.407 -7.110 2.455) 8.718 1.390 ( -0.851 -4.462 3.155) 5.531 1.484 ( -5.281 4.812 1.971) 7.411 1.647 ( 4.700 1.175 1.214) 4.994 1.833 ( -4.015 0.934 -5.892) 7.191 1.975 ( 0.924 -1.720 -0.053) 1.953 2.070 ( 0.245 -2.700 8.722) 9.133 2.117 ( -4.857 2.766 -0.605) 5.623 2.287 ( 4.437 0.769 0.069) 4.503 2.361 ( 2.052 -5.209 9.705) 11.204 2.569 ( -3.200 -4.445 2.100) 5.866 2.849 ( -4.667 3.279 -0.208) 5.707 2.875 ( 0.197 4.897 -0.361) 4.915 2.969 ( -6.471 6.128 -3.766) 9.675 3.035 ( -3.876 -0.467 4.447) 5.918 3.118 ( -5.895 -0.682 4.941) 7.722 3.170 ( -2.506 0.622 2.629) 3.685 3.197 ( 2.615 -0.237 -1.475) 3.012 3.305 ( -1.430 -0.569 -1.222) 1.965 3.379 ( 2.879 2.099 -3.065) 4.700 3.481 ( 6.131 0.753 -3.243) 6.977 3.678 ( -2.274 -7.516 -0.166) 7.855 3.717 ( 0.948 -5.405 -6.872) 8.794 3.819 ( 9.568 1.542 2.764) 10.078 3.857 ( 3.436 0.651 0.333) 3.513 3.866 ( 2.440 -0.664 0.715) 2.628 4.192 ( -5.086 5.719 1.781) 7.858 4.247 ( -1.979 -1.319 -0.659) 2.468 4.339 ( -3.750 -1.836 -0.501) 4.205 4.390 ( -3.783 -1.457 1.153) 4.215 4.475 ( -1.462 -3.206 2.840) 4.526 4.536 ( 0.152 4.891 -3.035) 5.759 4.602 ( -2.600 0.325 2.640) 3.719 4.695 ( -2.792 -4.275 -2.028) 5.494 4.788 ( -5.984 2.840 5.482) 8.598 4.936 ( 1.236 6.057 -1.305) 6.318 5.013 ( -8.885 -3.403 5.812) 11.149 5.051 ( 0.254 2.455 -3.750) 4.490 5.177 ( 0.515 0.550 -3.431) 3.513 5.326 ( 3.498 5.084 -2.608) 6.700 5.362 ( -0.656 1.837 2.813) 3.423 5.387 ( -1.752 -2.084 -0.822) 2.844 5.437 ( 1.700 2.264 -1.761) 3.335 5.547 ( 3.021 -4.222 0.166) 5.194 5.601 ( 14.345 -1.029 -5.177) 15.286 5.706 ( 9.525 0.597 -3.003) 10.005 5.742 ( 1.947 -0.414 2.493) 3.190 5.858 ( 5.869 -2.750 -0.634) 6.513 6.013 ( -7.153 2.369 -0.141) 7.537 6.265 ( -7.919 -3.405 4.435) 9.694 6.382 ( 6.267 3.541 -3.761) 8.122 6.548 ( 0.781 1.624 -8.327) 8.520 6.642 ( -3.213 -2.963 4.853) 6.531 6.805 ( 8.506 4.331 0.295) 9.549 7.084 ( 2.421 -0.299 -1.085) 2.670 7.114 ( -8.880 -3.554 0.986) 9.616 7.170 ( 4.875 -3.899 0.160) 6.244 7.280 ( -0.579 -0.719 -2.908) 3.050 7.377 ( -3.214 0.999 -2.429) 4.150 7.459 ( -0.868 0.449 6.846) 6.916 7.718 ( -2.201 2.326 -1.919) 3.733 7.838 ( -0.550 0.314 1.879) 1.983 8.040 ( -5.384 0.248 0.943) 5.471 8.114 ( 1.102 -0.274 -1.332) 1.751 8.230 ( -0.503 1.666 -0.331) 1.771 8.283 ( -0.533 1.570 0.031) 1.658 9.528 ( -0.410 -0.099 0.340) 0.542 9.570 ( 1.686 -0.386 1.078) 2.038 9.619 ( -1.503 -0.031 -0.436) 1.566 9.760 ( -0.022 -0.386 5.794) 5.807 9.920 ( 1.333 -0.800 -0.998) 1.848 9.986 ( 1.556 -0.913 -2.483) 3.069 10.104 ( -0.569 -0.998 -1.918) 2.236 10.126 ( -1.537 -0.735 -0.225) 1.718 10.345 ( -2.877 -1.450 1.719) 3.652 10.457 ( 4.006 -1.822 -1.292) 4.587 10.833 ( 0.747 1.047 -2.390) 2.714 10.916 ( 1.007 -1.116 3.183) 3.520 11.004 ( 3.462 -0.356 -1.622) 3.840 11.048 ( 4.072 -0.768 -0.604) 4.187 11.117 ( -5.734 1.233 5.537) 8.066 11.221 ( 1.457 3.586 -3.650) 5.320 11.423 ( -0.859 -2.038 -0.639) 2.302 11.496 ( 2.346 -1.191 -3.039) 4.020 16.304 ( -7.758 7.630 -0.143) 10.882 16.589 ( 4.304 5.803 0.438) 7.238 16.631 ( -8.625 -1.637 4.833) 10.021 16.985 ( 4.381 -11.121 -6.060) 13.401 17.195 ( 4.196 1.081 -11.032) 11.853 17.504 ( 3.333 1.375 15.105) 15.530 ======================= Grid point 182 (97/100) ======================= q-point: (-0.14 -0.43 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 172 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.238 ( -2.064 -8.337 3.141) 9.145 1.358 ( 0.580 5.616 -3.226) 6.502 1.507 ( -10.450 -8.579 16.039) 20.977 1.667 ( 4.692 4.215 1.180) 6.416 1.739 ( -8.018 -1.586 -1.403) 8.293 1.995 ( 3.367 2.679 -2.176) 4.822 2.013 ( -0.013 -0.881 -3.475) 3.585 2.232 ( 6.367 0.802 3.248) 7.192 2.392 ( 0.608 -7.905 4.773) 9.255 2.423 ( -3.459 7.489 -0.746) 8.283 2.575 ( -5.346 -0.577 -2.624) 5.983 2.682 ( -3.946 1.079 8.594) 9.518 2.846 ( -1.868 -1.139 3.532) 4.155 2.934 ( 4.071 -1.071 -1.513) 4.473 2.990 ( -9.427 -0.561 -0.221) 9.446 3.060 ( -7.778 -0.439 11.018) 13.494 3.203 ( -0.982 -3.200 -1.349) 3.609 3.242 ( 2.927 1.207 0.772) 3.259 3.336 ( 4.780 -3.275 -1.146) 5.906 3.394 ( 6.998 2.698 -0.440) 7.513 3.489 ( 2.204 0.557 -3.731) 4.369 3.724 ( -1.367 -6.147 -4.912) 7.986 3.757 ( -0.514 -3.394 0.174) 3.437 3.837 ( 3.089 3.313 0.383) 4.546 3.860 ( 0.050 2.363 -0.275) 2.380 3.973 ( 1.686 -4.594 1.992) 5.283 4.046 ( -5.145 6.005 0.107) 7.908 4.214 ( -1.167 2.919 -0.409) 3.170 4.302 ( -2.242 0.124 0.130) 2.250 4.413 ( -0.191 -0.178 -3.665) 3.674 4.451 ( -2.833 -3.945 -0.247) 4.863 4.507 ( -2.204 3.523 0.766) 4.226 4.619 ( -0.989 -2.080 4.020) 4.633 4.655 ( 0.445 -0.232 -3.335) 3.373 4.807 ( 0.319 1.733 2.594) 3.136 4.828 ( -1.010 3.233 -2.295) 4.091 4.992 ( -6.160 -3.784 2.632) 7.694 5.053 ( 0.800 0.671 1.425) 1.766 5.140 ( -1.320 0.494 1.542) 2.089 5.291 ( 0.958 0.728 -1.308) 1.777 5.352 ( -0.887 2.838 5.710) 6.438 5.409 ( 0.735 1.516 -0.596) 1.787 5.429 ( 5.507 1.037 -2.801) 6.265 5.599 ( 4.582 1.440 -2.251) 5.304 5.699 ( 5.298 0.693 -2.453) 5.880 5.710 ( 7.362 4.066 -5.728) 10.175 5.819 ( 2.114 -2.805 -1.376) 3.772 5.912 ( 1.404 0.902 0.010) 1.669 5.978 ( 0.232 -5.107 0.141) 5.115 6.205 ( -6.419 1.596 -0.136) 6.616 6.385 ( 3.977 1.147 -2.078) 4.632 6.486 ( 1.157 -0.406 -6.675) 6.787 6.688 ( -2.621 0.487 4.114) 4.902 6.811 ( 5.506 3.875 0.495) 6.751 7.058 ( -6.434 -0.336 3.490) 7.328 7.132 ( -0.200 -3.321 -2.554) 4.194 7.233 ( 2.148 -1.622 -2.923) 3.973 7.268 ( -2.016 -1.646 0.805) 2.724 7.322 ( -1.529 -0.751 -1.317) 2.153 7.518 ( 1.564 -0.557 3.983) 4.315 7.655 ( -1.100 2.079 -1.631) 2.863 7.831 ( -1.349 0.249 0.873) 1.626 7.985 ( -5.254 -0.189 1.445) 5.452 8.123 ( 1.306 -0.515 -1.170) 1.828 8.196 ( -0.444 2.651 -0.166) 2.693 8.248 ( -1.054 1.480 -0.691) 1.944 9.533 ( -0.566 -0.832 0.689) 1.219 9.588 ( 1.048 0.876 -0.123) 1.371 9.626 ( 0.696 -0.279 2.077) 2.208 9.826 ( 0.705 -2.108 6.307) 6.688 9.935 ( 0.907 -0.577 -1.890) 2.175 9.994 ( 0.014 -1.666 -1.620) 2.324 10.080 ( -0.837 0.331 -3.404) 3.521 10.129 ( -0.561 -1.013 1.140) 1.625 10.345 ( -3.696 -2.057 1.538) 4.501 10.524 ( 3.984 -1.679 0.123) 4.325 10.811 ( 1.833 0.980 -2.687) 3.397 10.961 ( -0.286 -0.971 3.040) 3.204 11.036 ( 0.672 0.365 0.349) 0.840 11.057 ( -0.956 2.406 -0.234) 2.600 11.106 ( 1.892 -1.360 0.134) 2.333 11.169 ( -0.008 2.284 -0.068) 2.285 11.434 ( 0.755 -1.339 -2.231) 2.709 11.514 ( 1.329 -1.559 -2.275) 3.061 16.135 ( -5.489 6.127 0.911) 8.276 16.567 ( 4.416 4.300 -1.290) 6.297 16.577 ( -8.332 0.143 4.048) 9.264 17.045 ( 0.102 -5.654 -10.282) 11.734 17.257 ( 9.341 -3.823 -2.273) 10.346 17.591 ( -0.468 2.847 9.776) 10.193 ======================= Grid point 188 (98/100) ======================= q-point: (-0.29 -0.29 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.144 ( -1.466 -0.000 14.354) 14.429 1.352 ( -6.726 -0.000 7.725) 10.243 1.496 ( 1.673 0.000 -4.319) 4.632 1.707 ( 2.085 0.000 2.818) 3.506 1.769 ( -5.795 -0.000 1.009) 5.882 2.052 ( 4.254 0.000 7.573) 8.686 2.074 ( -3.163 -0.000 9.494) 10.007 2.081 ( -6.810 -0.000 -1.114) 6.901 2.273 ( 3.999 0.000 -2.650) 4.797 2.498 ( 3.762 0.000 11.722) 12.311 2.524 ( 0.095 0.000 -0.485) 0.494 2.804 ( -7.381 -0.000 0.054) 7.381 2.840 ( -26.732 -0.000 15.145) 30.724 2.903 ( 0.831 0.000 -1.774) 1.959 3.010 ( -5.598 -0.000 -7.597) 9.437 3.017 ( -2.313 -0.000 -2.573) 3.460 3.202 ( 0.287 0.000 5.911) 5.918 3.256 ( 9.079 0.000 -0.308) 9.084 3.304 ( 6.258 0.000 -4.622) 7.780 3.478 ( 6.029 0.000 -2.371) 6.478 3.501 ( 2.033 0.000 0.199) 2.042 3.571 ( -2.712 -0.000 -3.607) 4.513 3.658 ( 4.844 0.000 -5.178) 7.090 3.853 ( 1.960 0.000 -3.622) 4.118 3.897 ( 0.264 0.000 2.791) 2.804 3.965 ( 2.655 0.000 1.404) 3.003 4.169 ( -5.727 -0.000 1.930) 6.043 4.212 ( -0.530 -0.000 -2.071) 2.138 4.276 ( -4.912 -0.000 2.995) 5.753 4.356 ( -4.763 -0.000 0.324) 4.774 4.448 ( -2.430 -0.000 -2.368) 3.393 4.485 ( -1.994 -0.000 -1.507) 2.499 4.616 ( -0.084 -0.000 4.098) 4.099 4.674 ( -0.122 -0.000 -0.457) 0.473 4.806 ( -0.480 -0.000 4.401) 4.428 4.881 ( -8.248 -0.000 0.196) 8.250 5.026 ( 0.433 0.000 -5.243) 5.261 5.060 ( 4.303 0.000 2.909) 5.194 5.155 ( -1.795 -0.000 0.107) 1.798 5.287 ( -6.014 -0.000 3.173) 6.800 5.387 ( -2.593 -0.000 4.905) 5.548 5.418 ( 5.897 0.000 -1.538) 6.094 5.523 ( 4.982 0.000 -0.528) 5.010 5.564 ( 14.085 0.000 -8.711) 16.561 5.724 ( 12.249 0.000 -4.272) 12.972 5.759 ( -2.377 -0.000 5.426) 5.924 5.777 ( 8.287 0.000 -4.530) 9.444 5.895 ( 4.700 0.000 -2.839) 5.491 5.960 ( -3.175 -0.000 -1.890) 3.695 6.186 ( -8.398 -0.000 5.011) 9.779 6.442 ( 6.279 0.000 -5.513) 8.356 6.481 ( 0.280 0.000 -10.722) 10.726 6.647 ( -3.166 -0.000 9.844) 10.340 6.930 ( 9.481 0.000 -2.886) 9.911 6.967 ( -12.008 -0.000 0.027) 12.008 7.125 ( 2.758 0.000 0.001) 2.758 7.182 ( 4.064 0.000 -1.198) 4.237 7.241 ( -1.823 -0.000 -2.131) 2.805 7.329 ( -2.656 -0.000 -2.323) 3.528 7.489 ( -2.256 -0.000 5.467) 5.914 7.711 ( -0.997 -0.000 -0.953) 1.379 7.819 ( -3.198 -0.000 -0.348) 3.217 7.984 ( -5.975 -0.000 1.467) 6.152 8.115 ( 1.368 0.000 -1.209) 1.825 8.233 ( -0.945 -0.000 0.034) 0.945 8.272 ( -2.125 -0.000 -1.345) 2.515 9.528 ( 0.215 0.000 -0.057) 0.223 9.597 ( 0.811 0.000 -0.282) 0.858 9.628 ( 2.558 0.000 4.315) 5.017 9.782 ( -3.739 -0.000 6.268) 7.298 9.943 ( 3.348 0.000 0.695) 3.419 9.958 ( -0.660 -0.000 -3.225) 3.292 10.086 ( 0.666 0.000 -2.058) 2.163 10.103 ( -1.651 -0.000 0.821) 1.844 10.322 ( -3.356 -0.000 2.912) 4.443 10.489 ( 5.673 0.000 -0.566) 5.701 10.847 ( 2.848 0.000 -2.150) 3.569 10.934 ( -0.326 -0.000 2.794) 2.813 11.030 ( 3.921 0.000 -1.888) 4.352 11.081 ( 3.471 0.000 -0.311) 3.484 11.103 ( -6.521 -0.000 5.430) 8.486 11.242 ( 2.701 0.000 -4.038) 4.858 11.388 ( -1.897 -0.000 0.471) 1.955 11.482 ( 1.499 0.000 -3.311) 3.635 16.265 ( -8.089 -0.000 -0.541) 8.107 16.577 ( -6.856 -0.000 8.062) 10.583 16.690 ( 1.798 0.000 -2.976) 3.477 16.850 ( 3.876 0.000 -11.902) 12.517 17.201 ( 8.262 0.000 -6.318) 10.401 17.651 ( 0.118 0.000 12.194) 12.194 ======================= Grid point 189 (99/100) ======================= q-point: (-0.14 -0.29 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 172 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.239 ( -2.439 0.724 13.688) 13.922 1.420 ( -8.587 -6.225 15.700) 18.947 1.466 ( 6.797 4.835 -2.018) 8.582 1.684 ( -7.591 4.277 5.849) 10.494 1.745 ( -0.349 -0.512 2.105) 2.194 2.023 ( -3.226 1.456 0.902) 3.653 2.040 ( 2.835 3.401 1.678) 4.735 2.248 ( -4.474 -12.187 7.364) 14.926 2.317 ( 4.731 0.538 -1.665) 5.044 2.500 ( -2.062 1.457 1.373) 2.874 2.517 ( -7.618 11.100 0.310) 13.466 2.679 ( -7.566 -4.531 10.667) 13.841 2.831 ( 0.768 -4.061 5.335) 6.749 2.858 ( -12.393 -3.317 3.619) 13.330 2.962 ( 2.194 0.670 -1.684) 2.846 3.030 ( 4.357 -3.663 -1.885) 5.996 3.225 ( 0.496 4.614 5.595) 7.269 3.274 ( 0.696 0.982 -1.773) 2.143 3.375 ( 2.649 2.646 -0.727) 3.813 3.474 ( 6.406 -1.244 -4.962) 8.198 3.499 ( 2.180 2.211 -3.102) 4.389 3.594 ( 1.174 -6.538 -5.278) 8.484 3.708 ( 2.638 -4.770 -2.270) 5.905 3.838 ( -3.312 1.688 -2.429) 4.440 3.868 ( -4.229 0.925 -0.681) 4.382 3.941 ( -1.044 -2.450 -0.984) 2.840 4.101 ( -6.231 4.496 5.474) 9.434 4.203 ( 0.759 1.658 -0.563) 1.909 4.269 ( -1.987 -1.789 -1.859) 3.256 4.348 ( -1.872 -4.923 0.210) 5.271 4.372 ( -0.260 -0.093 -5.395) 5.402 4.526 ( 0.615 -0.632 3.083) 3.207 4.639 ( -0.867 1.449 -0.989) 1.957 4.665 ( 0.061 -0.472 6.779) 6.796 4.810 ( -4.443 -0.647 -2.492) 5.135 4.849 ( 2.775 0.911 2.555) 3.881 4.955 ( 0.288 3.986 -2.526) 4.728 5.123 ( -0.691 3.464 0.729) 3.607 5.147 ( 3.816 -1.149 4.942) 6.349 5.293 ( -0.632 -0.962 4.576) 4.719 5.421 ( 0.497 1.122 7.773) 7.870 5.456 ( 3.414 0.899 -0.934) 3.652 5.532 ( 7.388 4.580 -2.378) 9.012 5.635 ( 6.534 0.942 -6.649) 9.369 5.739 ( 0.609 1.414 -4.195) 4.469 5.775 ( -0.871 -0.097 -2.601) 2.745 5.796 ( 6.843 2.569 -5.284) 9.019 5.927 ( 0.680 -2.909 -0.247) 2.998 5.970 ( 8.233 1.040 -1.538) 8.439 6.141 ( -6.423 -1.078 1.848) 6.769 6.406 ( 0.143 -0.814 -8.640) 8.679 6.446 ( 4.300 1.551 -4.066) 6.118 6.679 ( -5.076 0.117 3.943) 6.428 6.848 ( -6.300 -0.162 2.550) 6.799 7.026 ( 4.756 -4.396 -3.187) 7.218 7.107 ( -2.118 1.915 -0.617) 2.921 7.198 ( 0.479 -0.423 -2.138) 2.231 7.242 ( 0.180 -1.954 0.848) 2.137 7.294 ( -0.488 0.135 -1.336) 1.428 7.520 ( -1.478 -2.538 2.727) 4.008 7.668 ( -1.227 2.936 -0.595) 3.238 7.781 ( -4.324 -1.923 -1.562) 4.983 7.949 ( -3.511 -0.255 3.052) 4.659 8.122 ( 1.366 -0.241 -1.345) 1.932 8.209 ( -1.491 1.256 -0.545) 2.024 8.229 ( -2.550 0.268 -1.573) 3.008 9.532 ( 0.414 0.072 0.485) 0.641 9.604 ( 1.156 0.064 -0.013) 1.158 9.682 ( 2.179 2.598 3.165) 4.638 9.816 ( -2.690 -4.264 4.410) 6.698 9.929 ( -0.048 0.280 -0.277) 0.397 9.989 ( 1.746 0.306 2.216) 2.838 10.069 ( 0.805 0.819 -2.368) 2.632 10.114 ( 0.283 -1.781 0.297) 1.828 10.323 ( -1.721 -0.276 4.494) 4.821 10.569 ( 6.612 -1.042 0.998) 6.767 10.849 ( 3.580 2.248 -1.967) 4.663 10.956 ( -1.544 -1.381 2.475) 3.227 11.043 ( -4.440 1.474 2.402) 5.259 11.059 ( -0.941 -0.030 -0.332) 0.998 11.119 ( 3.759 -0.203 -1.670) 4.118 11.209 ( 0.367 3.847 -0.802) 3.947 11.398 ( 0.251 -2.730 -1.092) 2.951 11.481 ( 0.672 -1.779 -2.775) 3.364 16.149 ( -5.517 4.199 -0.097) 6.934 16.566 ( -5.252 1.998 7.770) 9.589 16.609 ( -1.641 2.784 -6.388) 7.159 16.878 ( 3.342 -8.449 -10.142) 13.617 17.277 ( 9.049 -2.697 -4.441) 10.434 17.682 ( -5.180 3.256 7.866) 9.965 ======================= Grid point 196 (100/100) ======================= q-point: (-0.14 -0.14 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.307 ( -14.713 -0.000 17.404) 22.790 1.422 ( 0.827 0.000 11.194) 11.225 1.597 ( 10.326 0.000 0.314) 10.330 1.723 ( -7.941 -0.000 12.268) 14.614 1.748 ( 2.350 0.000 2.654) 3.545 2.019 ( -7.274 -0.000 -3.682) 8.153 2.031 ( -1.116 -0.000 5.614) 5.724 2.179 ( -2.025 -0.000 5.601) 5.955 2.406 ( 8.262 0.000 -1.026) 8.326 2.523 ( 1.792 0.000 -0.498) 1.859 2.526 ( -10.626 -0.000 2.358) 10.885 2.605 ( -9.319 -0.000 9.464) 13.282 2.748 ( -6.082 -0.000 7.132) 9.374 2.857 ( -1.457 -0.000 8.560) 8.683 2.990 ( 3.952 0.000 0.675) 4.010 3.063 ( 10.009 0.000 -5.065) 11.218 3.271 ( -0.052 -0.000 -0.657) 0.659 3.352 ( -0.822 -0.000 3.961) 4.046 3.374 ( -2.196 -0.000 0.071) 2.197 3.451 ( -5.018 -0.000 -6.196) 7.974 3.507 ( 8.332 0.000 -9.203) 12.414 3.541 ( 3.265 0.000 0.340) 3.282 3.630 ( 1.495 0.000 -10.512) 10.618 3.812 ( -1.798 -0.000 1.096) 2.106 3.847 ( -6.575 -0.000 0.141) 6.576 3.867 ( 1.730 0.000 -1.376) 2.211 4.047 ( -8.928 -0.000 1.359) 9.030 4.185 ( -9.619 -0.000 -3.139) 10.119 4.263 ( 3.964 0.000 -0.280) 3.974 4.342 ( 8.796 0.000 -0.263) 8.799 4.351 ( -0.578 -0.000 0.603) 0.835 4.582 ( 0.917 0.000 5.334) 5.412 4.604 ( -3.232 -0.000 -1.553) 3.586 4.707 ( -1.504 -0.000 4.802) 5.032 4.727 ( -4.699 -0.000 0.408) 4.717 4.903 ( 4.766 0.000 -4.356) 6.457 5.015 ( 4.250 0.000 1.327) 4.452 5.130 ( 0.141 0.000 1.515) 1.522 5.268 ( 6.433 0.000 6.671) 9.268 5.337 ( 0.669 0.000 8.307) 8.334 5.475 ( 2.497 0.000 -3.086) 3.969 5.521 ( 3.896 0.000 7.984) 8.884 5.612 ( -1.524 -0.000 4.957) 5.186 5.663 ( 6.082 0.000 -9.099) 10.944 5.679 ( 0.272 0.000 -6.279) 6.285 5.782 ( 4.372 0.000 -3.669) 5.707 5.832 ( 6.630 0.000 -10.186) 12.154 5.901 ( -1.430 -0.000 0.277) 1.457 6.060 ( -8.262 -0.000 0.984) 8.321 6.071 ( 9.028 0.000 -3.211) 9.582 6.338 ( 2.698 0.000 -8.177) 8.611 6.443 ( -3.085 -0.000 -1.623) 3.486 6.649 ( -2.425 -0.000 -0.731) 2.532 6.801 ( -7.751 -0.000 8.427) 11.449 6.988 ( -1.135 -0.000 -5.189) 5.311 7.041 ( -2.549 -0.000 -5.733) 6.274 7.209 ( 0.656 0.000 -0.821) 1.051 7.235 ( -0.364 -0.000 0.420) 0.556 7.315 ( 4.435 0.000 0.146) 4.438 7.495 ( -2.980 -0.000 2.654) 3.991 7.676 ( -2.050 -0.000 0.184) 2.058 7.697 ( -3.364 -0.000 -2.074) 3.952 7.950 ( -1.582 -0.000 4.192) 4.481 8.122 ( 0.948 0.000 -1.719) 1.964 8.185 ( -1.797 -0.000 -2.774) 3.305 8.190 ( -2.844 -0.000 -0.117) 2.847 9.548 ( 1.576 0.000 0.469) 1.644 9.623 ( 2.040 0.000 0.425) 2.083 9.736 ( -1.870 -0.000 0.052) 1.871 9.758 ( -4.467 -0.000 2.765) 5.253 9.965 ( 3.164 0.000 2.753) 4.194 10.033 ( 0.563 0.000 3.309) 3.357 10.072 ( 1.569 0.000 -2.601) 3.038 10.101 ( 1.125 0.000 -1.045) 1.536 10.389 ( 6.542 0.000 6.767) 9.412 10.654 ( 6.808 0.000 2.981) 7.433 10.893 ( 3.593 0.000 -1.518) 3.900 10.941 ( -2.483 -0.000 2.000) 3.189 10.996 ( -9.854 -0.000 4.009) 10.638 11.049 ( 1.498 0.000 -3.886) 4.164 11.147 ( 3.280 0.000 -1.180) 3.486 11.240 ( 0.474 0.000 -1.988) 2.044 11.368 ( -0.736 -0.000 0.896) 1.160 11.450 ( 0.453 0.000 -2.761) 2.798 16.122 ( -3.017 -0.000 -0.905) 3.150 16.475 ( -11.274 -0.000 -8.562) 14.157 16.615 ( -3.501 -0.000 9.840) 10.444 16.802 ( 7.010 0.000 -8.403) 10.943 17.333 ( 9.815 0.000 -3.618) 10.461 17.668 ( -10.260 -0.000 4.997) 11.412 =================== 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 3/30870 10.0 351.738 303.389 398.417 0.000 -12.435 0.000 3/30870 20.0 43.661 41.221 55.441 0.000 -0.222 0.000 3/30870 30.0 16.073 15.374 20.350 0.000 -0.080 0.000 3/30870 40.0 8.884 8.512 11.109 0.000 -0.090 0.000 3/30870 50.0 5.953 5.688 7.349 0.000 -0.098 0.000 3/30870 60.0 4.438 4.222 5.416 0.000 -0.101 0.000 3/30870 70.0 3.530 3.343 4.266 0.000 -0.100 0.000 3/30870 80.0 2.930 2.763 3.512 0.000 -0.098 0.000 3/30870 90.0 2.506 2.354 2.982 0.000 -0.094 0.000 3/30870 100.0 2.190 2.050 2.591 0.000 -0.090 0.000 3/30870 110.0 1.946 1.816 2.291 0.000 -0.086 0.000 3/30870 120.0 1.752 1.630 2.053 0.000 -0.082 0.000 3/30870 130.0 1.594 1.479 1.861 0.000 -0.078 0.000 3/30870 140.0 1.463 1.355 1.702 0.000 -0.075 0.000 3/30870 150.0 1.352 1.250 1.569 0.000 -0.071 0.000 3/30870 160.0 1.258 1.160 1.456 0.000 -0.068 0.000 3/30870 170.0 1.176 1.083 1.358 0.000 -0.065 0.000 3/30870 180.0 1.105 1.015 1.273 0.000 -0.062 0.000 3/30870 190.0 1.042 0.956 1.198 0.000 -0.060 0.000 3/30870 200.0 0.986 0.904 1.132 0.000 -0.057 0.000 3/30870 210.0 0.935 0.857 1.073 0.000 -0.055 0.000 3/30870 220.0 0.890 0.815 1.020 0.000 -0.053 0.000 3/30870 230.0 0.850 0.777 0.972 0.000 -0.051 0.000 3/30870 240.0 0.812 0.742 0.929 0.000 -0.049 0.000 3/30870 250.0 0.778 0.710 0.889 0.000 -0.048 0.000 3/30870 260.0 0.747 0.681 0.853 0.000 -0.046 0.000 3/30870 270.0 0.719 0.655 0.819 0.000 -0.045 0.000 3/30870 280.0 0.692 0.630 0.788 0.000 -0.043 0.000 3/30870 290.0 0.667 0.607 0.760 0.000 -0.042 0.000 3/30870 300.0 0.645 0.586 0.733 0.000 -0.041 0.000 3/30870 310.0 0.623 0.567 0.709 0.000 -0.040 0.000 3/30870 320.0 0.603 0.548 0.686 0.000 -0.038 0.000 3/30870 330.0 0.585 0.531 0.664 0.000 -0.037 0.000 3/30870 340.0 0.567 0.515 0.644 0.000 -0.036 0.000 3/30870 350.0 0.551 0.500 0.625 0.000 -0.035 0.000 3/30870 360.0 0.535 0.485 0.607 0.000 -0.035 0.000 3/30870 370.0 0.520 0.472 0.590 0.000 -0.034 0.000 3/30870 380.0 0.506 0.459 0.574 0.000 -0.033 0.000 3/30870 390.0 0.493 0.447 0.559 0.000 -0.032 0.000 3/30870 400.0 0.481 0.436 0.545 0.000 -0.031 0.000 3/30870 410.0 0.469 0.425 0.531 0.000 -0.031 0.000 3/30870 420.0 0.458 0.414 0.518 0.000 -0.030 0.000 3/30870 430.0 0.447 0.405 0.506 0.000 -0.029 0.000 3/30870 440.0 0.437 0.395 0.494 0.000 -0.029 0.000 3/30870 450.0 0.427 0.386 0.483 0.000 -0.028 0.000 3/30870 460.0 0.417 0.378 0.472 0.000 -0.027 0.000 3/30870 470.0 0.408 0.370 0.462 0.000 -0.027 0.000 3/30870 480.0 0.400 0.362 0.452 0.000 -0.026 0.000 3/30870 490.0 0.392 0.354 0.443 0.000 -0.026 0.000 3/30870 500.0 0.384 0.347 0.434 0.000 -0.025 0.000 3/30870 510.0 0.376 0.340 0.425 0.000 -0.025 0.000 3/30870 520.0 0.369 0.334 0.417 0.000 -0.024 0.000 3/30870 530.0 0.362 0.327 0.409 0.000 -0.024 0.000 3/30870 540.0 0.355 0.321 0.401 0.000 -0.024 0.000 3/30870 550.0 0.349 0.315 0.394 0.000 -0.023 0.000 3/30870 560.0 0.342 0.309 0.387 0.000 -0.023 0.000 3/30870 570.0 0.336 0.304 0.380 0.000 -0.022 0.000 3/30870 580.0 0.330 0.299 0.373 0.000 -0.022 0.000 3/30870 590.0 0.325 0.294 0.367 0.000 -0.022 0.000 3/30870 600.0 0.319 0.289 0.361 0.000 -0.021 0.000 3/30870 610.0 0.314 0.284 0.355 0.000 -0.021 0.000 3/30870 620.0 0.309 0.279 0.349 0.000 -0.021 0.000 3/30870 630.0 0.304 0.275 0.344 0.000 -0.020 0.000 3/30870 640.0 0.299 0.270 0.338 0.000 -0.020 0.000 3/30870 650.0 0.295 0.266 0.333 0.000 -0.020 0.000 3/30870 660.0 0.290 0.262 0.328 0.000 -0.019 0.000 3/30870 670.0 0.286 0.258 0.323 0.000 -0.019 0.000 3/30870 680.0 0.282 0.254 0.318 0.000 -0.019 0.000 3/30870 690.0 0.278 0.251 0.313 0.000 -0.019 0.000 3/30870 700.0 0.274 0.247 0.309 0.000 -0.018 0.000 3/30870 710.0 0.270 0.244 0.305 0.000 -0.018 0.000 3/30870 720.0 0.266 0.240 0.300 0.000 -0.018 0.000 3/30870 730.0 0.262 0.237 0.296 0.000 -0.018 0.000 3/30870 740.0 0.259 0.234 0.292 0.000 -0.017 0.000 3/30870 750.0 0.255 0.230 0.288 0.000 -0.017 0.000 3/30870 760.0 0.252 0.227 0.284 0.000 -0.017 0.000 3/30870 770.0 0.249 0.224 0.281 0.000 -0.017 0.000 3/30870 780.0 0.245 0.222 0.277 0.000 -0.017 0.000 3/30870 790.0 0.242 0.219 0.274 0.000 -0.016 0.000 3/30870 800.0 0.239 0.216 0.270 0.000 -0.016 0.000 3/30870 810.0 0.236 0.213 0.267 0.000 -0.016 0.000 3/30870 820.0 0.233 0.211 0.263 0.000 -0.016 0.000 3/30870 830.0 0.231 0.208 0.260 0.000 -0.016 0.000 3/30870 840.0 0.228 0.206 0.257 0.000 -0.015 0.000 3/30870 850.0 0.225 0.203 0.254 0.000 -0.015 0.000 3/30870 860.0 0.223 0.201 0.251 0.000 -0.015 0.000 3/30870 870.0 0.220 0.199 0.248 0.000 -0.015 0.000 3/30870 880.0 0.218 0.196 0.245 0.000 -0.015 0.000 3/30870 890.0 0.215 0.194 0.243 0.000 -0.014 0.000 3/30870 900.0 0.213 0.192 0.240 0.000 -0.014 0.000 3/30870 910.0 0.210 0.190 0.237 0.000 -0.014 0.000 3/30870 920.0 0.208 0.188 0.235 0.000 -0.014 0.000 3/30870 930.0 0.206 0.186 0.232 0.000 -0.014 0.000 3/30870 940.0 0.204 0.184 0.230 0.000 -0.014 0.000 3/30870 950.0 0.201 0.182 0.227 0.000 -0.014 0.000 3/30870 960.0 0.199 0.180 0.225 0.000 -0.013 0.000 3/30870 970.0 0.197 0.178 0.223 0.000 -0.013 0.000 3/30870 980.0 0.195 0.176 0.220 0.000 -0.013 0.000 3/30870 990.0 0.193 0.174 0.218 0.000 -0.013 0.000 3/30870 1000.0 0.191 0.173 0.216 0.000 -0.013 0.000 3/30870 Thermal conductivity related properties were written into "kappa-m777.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 09:02:04]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|