----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-08 18:08:48]------------------------- Compiled with OpenMP support (max 128 threads). Running in phonopy.load mode. Python version 3.14.2 Spglib version 2.6.1 Crystal structure was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". Unit of length: angstrom Settings: Supercell: [2 1 2] Primitive matrix: [0.5 0.5 0. ] [-0.5 0.5 0. ] [0. 0. 1.] Spacegroup: C2/m (12) Number of symmetry operations in supercell: 32 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 5.736654090021156 -7.118613389999999 0.000000000000000 b 5.736654090021156 7.118613389999999 0.000000000000000 c -3.179205642483853 0.000000000000000 5.914303365716322 Atomic positions (fractional): *1 Cs 0.00000000000000 0.00000000000000 0.00000000000000 132.905 *2 Hg 0.64869676630419 0.97804284227810 0.32177540604561 200.590 *3 Hg 0.50000000000000 0.50000000000000 0.00000000000000 200.590 4 Hg 0.35130323369581 0.02195715772190 0.67822459395438 200.590 5 Hg 0.02195715772190 0.35130323369581 0.67822459395438 200.590 6 Hg 0.97804284227810 0.64869676630419 0.32177540604561 200.590 *7 Cl 0.42266383413743 0.17236109347738 0.05964764525071 35.453 *8 Cl 0.29745668931901 0.85935970946298 0.30542206922736 35.453 9 Cl 0.85935970946298 0.29745668931901 0.30542206922736 35.453 *10 Cl 0.00000000000000 0.00000000000000 0.50000000000000 35.453 11 Cl 0.70254331068099 0.14064029053702 0.69457793077264 35.453 12 Cl 0.17236109347738 0.42266383413743 0.05964764525071 35.453 *13 Cl 0.35115313334775 0.35115313334775 0.61440391332845 35.453 14 Cl 0.64884686665225 0.64884686665225 0.38559608667155 35.453 15 Cl 0.82763890652262 0.57733616586257 0.94035235474929 35.453 16 Cl 0.14064029053702 0.70254331068099 0.69457793077264 35.453 17 Cl 0.57733616586257 0.82763890652262 0.94035235474929 35.453 -------------------------------- unit cell --------------------------------- Lattice vectors: a 11.473308180042313 0.000000000000000 0.000000000000000 b 0.000000000000000 14.237226779999999 0.000000000000000 c -3.179205642483853 0.000000000000000 5.914303365716322 Atomic positions (fractional): *1 Cs 0.00000000000000 0.00000000000000 0.00000000000000 132.905 > 1 2 Cs 0.50000000000000 0.50000000000000 0.00000000000000 132.905 > 1 *3 Hg 0.81336980429114 0.16467303798696 0.32177540604561 200.590 > 2 *4 Hg 0.50000000000000 0.00000000000000 0.00000000000000 200.590 > 3 5 Hg 0.18663019570886 0.83532696201305 0.67822459395438 200.590 > 4 6 Hg 0.18663019570886 0.16467303798696 0.67822459395438 200.590 > 5 7 Hg 0.81336980429114 0.83532696201305 0.32177540604561 200.590 > 6 8 Hg 0.31336980429114 0.66467303798695 0.32177540604561 200.590 > 2 9 Hg 0.00000000000000 0.50000000000000 0.00000000000000 200.590 > 3 10 Hg 0.68663019570886 0.33532696201305 0.67822459395438 200.590 > 4 11 Hg 0.68663019570886 0.66467303798695 0.67822459395438 200.590 > 5 12 Hg 0.31336980429114 0.33532696201305 0.32177540604561 200.590 > 6 *13 Cl 0.29751246380741 0.87484862966998 0.05964764525071 35.453 > 7 *14 Cl 0.57840819939099 0.28095151007198 0.30542206922736 35.453 > 8 15 Cl 0.57840819939099 0.71904848992801 0.30542206922736 35.453 > 9 *16 Cl 0.00000000000000 0.00000000000000 0.50000000000000 35.453 > 10 17 Cl 0.42159180060901 0.71904848992801 0.69457793077264 35.453 > 11 18 Cl 0.29751246380741 0.12515137033002 0.05964764525071 35.453 > 12 *19 Cl 0.35115313334775 0.00000000000000 0.61440391332845 35.453 > 13 20 Cl 0.64884686665225 0.00000000000000 0.38559608667155 35.453 > 14 21 Cl 0.70248753619259 0.87484862966998 0.94035235474929 35.453 > 15 22 Cl 0.42159180060901 0.28095151007198 0.69457793077264 35.453 > 16 23 Cl 0.70248753619259 0.12515137033002 0.94035235474929 35.453 > 17 24 Cl 0.79751246380741 0.37484862966998 0.05964764525071 35.453 > 7 25 Cl 0.07840819939099 0.78095151007199 0.30542206922736 35.453 > 8 26 Cl 0.07840819939099 0.21904848992802 0.30542206922736 35.453 > 9 27 Cl 0.50000000000000 0.50000000000000 0.50000000000000 35.453 > 10 28 Cl 0.92159180060901 0.21904848992802 0.69457793077264 35.453 > 11 29 Cl 0.79751246380741 0.62515137033002 0.05964764525071 35.453 > 12 30 Cl 0.85115313334775 0.50000000000000 0.61440391332845 35.453 > 13 31 Cl 0.14884686665225 0.50000000000000 0.38559608667155 35.453 > 14 32 Cl 0.20248753619259 0.37484862966998 0.94035235474929 35.453 > 15 33 Cl 0.92159180060901 0.78095151007199 0.69457793077264 35.453 > 16 34 Cl 0.20248753619259 0.62515137033002 0.94035235474929 35.453 > 17 -------------------------------- super cell -------------------------------- Lattice vectors: a 22.946616360084626 0.000000000000000 0.000000000000000 b 0.000000000000000 14.237226779999999 0.000000000000000 c -6.358411284967706 0.000000000000000 11.828606731432645 Atomic positions (fractional): *1 Cs 0.00000000000000 0.00000000000000 0.00000000000000 132.905 > 1 2 Cs 0.50000000000000 0.00000000000000 0.00000000000000 132.905 > 1 3 Cs 0.00000000000000 0.00000000000000 0.50000000000000 132.905 > 1 4 Cs 0.50000000000000 0.00000000000000 0.50000000000000 132.905 > 1 5 Cs 0.25000000000000 0.50000000000000 0.00000000000000 132.905 > 1 6 Cs 0.75000000000000 0.50000000000000 0.00000000000000 132.905 > 1 7 Cs 0.25000000000000 0.50000000000000 0.50000000000000 132.905 > 1 8 Cs 0.75000000000000 0.50000000000000 0.50000000000000 132.905 > 1 *9 Hg 0.40668490214557 0.16467303798696 0.16088770302281 200.590 > 2 10 Hg 0.90668490214557 0.16467303798696 0.16088770302281 200.590 > 2 11 Hg 0.40668490214557 0.16467303798696 0.66088770302281 200.590 > 2 12 Hg 0.90668490214557 0.16467303798696 0.66088770302281 200.590 > 2 *13 Hg 0.25000000000000 0.00000000000000 0.00000000000000 200.590 > 3 14 Hg 0.75000000000000 0.00000000000000 0.00000000000000 200.590 > 3 15 Hg 0.25000000000000 0.00000000000000 0.50000000000000 200.590 > 3 16 Hg 0.75000000000000 0.00000000000000 0.50000000000000 200.590 > 3 17 Hg 0.09331509785443 0.83532696201305 0.33911229697719 200.590 > 4 18 Hg 0.59331509785443 0.83532696201305 0.33911229697719 200.590 > 4 19 Hg 0.09331509785443 0.83532696201305 0.83911229697719 200.590 > 4 20 Hg 0.59331509785443 0.83532696201305 0.83911229697719 200.590 > 4 21 Hg 0.09331509785443 0.16467303798696 0.33911229697719 200.590 > 5 22 Hg 0.59331509785443 0.16467303798696 0.33911229697719 200.590 > 5 23 Hg 0.09331509785443 0.16467303798696 0.83911229697719 200.590 > 5 24 Hg 0.59331509785443 0.16467303798696 0.83911229697719 200.590 > 5 25 Hg 0.40668490214557 0.83532696201305 0.16088770302281 200.590 > 6 26 Hg 0.90668490214557 0.83532696201305 0.16088770302281 200.590 > 6 27 Hg 0.40668490214557 0.83532696201305 0.66088770302281 200.590 > 6 28 Hg 0.90668490214557 0.83532696201305 0.66088770302281 200.590 > 6 29 Hg 0.15668490214557 0.66467303798695 0.16088770302281 200.590 > 2 30 Hg 0.65668490214557 0.66467303798695 0.16088770302281 200.590 > 2 31 Hg 0.15668490214557 0.66467303798695 0.66088770302281 200.590 > 2 32 Hg 0.65668490214557 0.66467303798695 0.66088770302281 200.590 > 2 33 Hg 0.00000000000000 0.50000000000000 0.00000000000000 200.590 > 3 34 Hg 0.50000000000000 0.50000000000000 0.00000000000000 200.590 > 3 35 Hg 0.00000000000000 0.50000000000000 0.50000000000000 200.590 > 3 36 Hg 0.50000000000000 0.50000000000000 0.50000000000000 200.590 > 3 37 Hg 0.34331509785443 0.33532696201305 0.33911229697719 200.590 > 4 38 Hg 0.84331509785443 0.33532696201305 0.33911229697719 200.590 > 4 39 Hg 0.34331509785443 0.33532696201305 0.83911229697719 200.590 > 4 40 Hg 0.84331509785443 0.33532696201305 0.83911229697719 200.590 > 4 41 Hg 0.34331509785443 0.66467303798695 0.33911229697719 200.590 > 5 42 Hg 0.84331509785443 0.66467303798695 0.33911229697719 200.590 > 5 43 Hg 0.34331509785443 0.66467303798695 0.83911229697719 200.590 > 5 44 Hg 0.84331509785443 0.66467303798695 0.83911229697719 200.590 > 5 45 Hg 0.15668490214557 0.33532696201305 0.16088770302281 200.590 > 6 46 Hg 0.65668490214557 0.33532696201305 0.16088770302281 200.590 > 6 47 Hg 0.15668490214557 0.33532696201305 0.66088770302281 200.590 > 6 48 Hg 0.65668490214557 0.33532696201305 0.66088770302281 200.590 > 6 *49 Cl 0.14875623190370 0.87484862966998 0.02982382262536 35.453 > 7 50 Cl 0.64875623190370 0.87484862966998 0.02982382262536 35.453 > 7 51 Cl 0.14875623190370 0.87484862966998 0.52982382262536 35.453 > 7 52 Cl 0.64875623190370 0.87484862966998 0.52982382262536 35.453 > 7 *53 Cl 0.28920409969550 0.28095151007198 0.15271103461368 35.453 > 8 54 Cl 0.78920409969550 0.28095151007198 0.15271103461368 35.453 > 8 55 Cl 0.28920409969550 0.28095151007198 0.65271103461368 35.453 > 8 56 Cl 0.78920409969550 0.28095151007198 0.65271103461368 35.453 > 8 57 Cl 0.28920409969550 0.71904848992801 0.15271103461368 35.453 > 9 58 Cl 0.78920409969550 0.71904848992801 0.15271103461368 35.453 > 9 59 Cl 0.28920409969550 0.71904848992801 0.65271103461368 35.453 > 9 60 Cl 0.78920409969550 0.71904848992801 0.65271103461368 35.453 > 9 *61 Cl 0.00000000000000 0.00000000000000 0.25000000000000 35.453 > 10 62 Cl 0.50000000000000 0.00000000000000 0.25000000000000 35.453 > 10 63 Cl 0.00000000000000 0.00000000000000 0.75000000000000 35.453 > 10 64 Cl 0.50000000000000 0.00000000000000 0.75000000000000 35.453 > 10 65 Cl 0.21079590030450 0.71904848992801 0.34728896538632 35.453 > 11 66 Cl 0.71079590030450 0.71904848992801 0.34728896538632 35.453 > 11 67 Cl 0.21079590030450 0.71904848992801 0.84728896538632 35.453 > 11 68 Cl 0.71079590030450 0.71904848992801 0.84728896538632 35.453 > 11 69 Cl 0.14875623190370 0.12515137033002 0.02982382262536 35.453 > 12 70 Cl 0.64875623190370 0.12515137033002 0.02982382262536 35.453 > 12 71 Cl 0.14875623190370 0.12515137033002 0.52982382262536 35.453 > 12 72 Cl 0.64875623190370 0.12515137033002 0.52982382262536 35.453 > 12 *73 Cl 0.17557656667387 0.00000000000000 0.30720195666422 35.453 > 13 74 Cl 0.67557656667387 0.00000000000000 0.30720195666422 35.453 > 13 75 Cl 0.17557656667387 0.00000000000000 0.80720195666422 35.453 > 13 76 Cl 0.67557656667387 0.00000000000000 0.80720195666422 35.453 > 13 77 Cl 0.32442343332613 0.00000000000000 0.19279804333578 35.453 > 14 78 Cl 0.82442343332613 0.00000000000000 0.19279804333578 35.453 > 14 79 Cl 0.32442343332613 0.00000000000000 0.69279804333578 35.453 > 14 80 Cl 0.82442343332613 0.00000000000000 0.69279804333578 35.453 > 14 81 Cl 0.35124376809630 0.87484862966998 0.47017617737464 35.453 > 15 82 Cl 0.85124376809630 0.87484862966998 0.47017617737464 35.453 > 15 83 Cl 0.35124376809630 0.87484862966998 0.97017617737464 35.453 > 15 84 Cl 0.85124376809630 0.87484862966998 0.97017617737464 35.453 > 15 85 Cl 0.21079590030450 0.28095151007198 0.34728896538632 35.453 > 16 86 Cl 0.71079590030450 0.28095151007198 0.34728896538632 35.453 > 16 87 Cl 0.21079590030450 0.28095151007198 0.84728896538632 35.453 > 16 88 Cl 0.71079590030450 0.28095151007198 0.84728896538632 35.453 > 16 89 Cl 0.35124376809630 0.12515137033002 0.47017617737464 35.453 > 17 90 Cl 0.85124376809630 0.12515137033002 0.47017617737464 35.453 > 17 91 Cl 0.35124376809630 0.12515137033002 0.97017617737464 35.453 > 17 92 Cl 0.85124376809630 0.12515137033002 0.97017617737464 35.453 > 17 93 Cl 0.39875623190370 0.37484862966998 0.02982382262536 35.453 > 7 94 Cl 0.89875623190370 0.37484862966998 0.02982382262536 35.453 > 7 95 Cl 0.39875623190370 0.37484862966998 0.52982382262536 35.453 > 7 96 Cl 0.89875623190370 0.37484862966998 0.52982382262536 35.453 > 7 97 Cl 0.03920409969550 0.78095151007199 0.15271103461368 35.453 > 8 98 Cl 0.53920409969550 0.78095151007199 0.15271103461368 35.453 > 8 99 Cl 0.03920409969550 0.78095151007199 0.65271103461368 35.453 > 8 100 Cl 0.53920409969550 0.78095151007199 0.65271103461368 35.453 > 8 101 Cl 0.03920409969550 0.21904848992802 0.15271103461368 35.453 > 9 102 Cl 0.53920409969550 0.21904848992802 0.15271103461368 35.453 > 9 103 Cl 0.03920409969550 0.21904848992802 0.65271103461368 35.453 > 9 104 Cl 0.53920409969550 0.21904848992802 0.65271103461368 35.453 > 9 105 Cl 0.25000000000000 0.50000000000000 0.25000000000000 35.453 > 10 106 Cl 0.75000000000000 0.50000000000000 0.25000000000000 35.453 > 10 107 Cl 0.25000000000000 0.50000000000000 0.75000000000000 35.453 > 10 108 Cl 0.75000000000000 0.50000000000000 0.75000000000000 35.453 > 10 109 Cl 0.46079590030450 0.21904848992802 0.34728896538632 35.453 > 11 110 Cl 0.96079590030450 0.21904848992802 0.34728896538632 35.453 > 11 111 Cl 0.46079590030450 0.21904848992802 0.84728896538632 35.453 > 11 112 Cl 0.96079590030450 0.21904848992802 0.84728896538632 35.453 > 11 113 Cl 0.39875623190370 0.62515137033002 0.02982382262536 35.453 > 12 114 Cl 0.89875623190370 0.62515137033002 0.02982382262536 35.453 > 12 115 Cl 0.39875623190370 0.62515137033002 0.52982382262536 35.453 > 12 116 Cl 0.89875623190370 0.62515137033002 0.52982382262536 35.453 > 12 117 Cl 0.42557656667387 0.50000000000000 0.30720195666422 35.453 > 13 118 Cl 0.92557656667387 0.50000000000000 0.30720195666422 35.453 > 13 119 Cl 0.42557656667387 0.50000000000000 0.80720195666422 35.453 > 13 120 Cl 0.92557656667387 0.50000000000000 0.80720195666422 35.453 > 13 121 Cl 0.07442343332613 0.50000000000000 0.19279804333578 35.453 > 14 122 Cl 0.57442343332613 0.50000000000000 0.19279804333578 35.453 > 14 123 Cl 0.07442343332613 0.50000000000000 0.69279804333578 35.453 > 14 124 Cl 0.57442343332613 0.50000000000000 0.69279804333578 35.453 > 14 125 Cl 0.10124376809630 0.37484862966998 0.47017617737464 35.453 > 15 126 Cl 0.60124376809630 0.37484862966998 0.47017617737464 35.453 > 15 127 Cl 0.10124376809630 0.37484862966998 0.97017617737464 35.453 > 15 128 Cl 0.60124376809630 0.37484862966998 0.97017617737464 35.453 > 15 129 Cl 0.46079590030450 0.78095151007199 0.34728896538632 35.453 > 16 130 Cl 0.96079590030450 0.78095151007199 0.34728896538632 35.453 > 16 131 Cl 0.46079590030450 0.78095151007199 0.84728896538632 35.453 > 16 132 Cl 0.96079590030450 0.78095151007199 0.84728896538632 35.453 > 16 133 Cl 0.10124376809630 0.62515137033002 0.47017617737464 35.453 > 17 134 Cl 0.60124376809630 0.62515137033002 0.47017617737464 35.453 > 17 135 Cl 0.10124376809630 0.62515137033002 0.97017617737464 35.453 > 17 136 Cl 0.60124376809630 0.62515137033002 0.97017617737464 35.453 > 17 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 3.4631857 0.0000000 0.1882328 0.0000000 3.4028040 0.0000000 0.1882320 0.0000000 3.9274729 -------------------------- Born effective charges -------------------------- 1 Cs 1.3277930 -0.0000000 -0.1350740 0.0000000 1.2365421 0.0000000 -0.2975416 -0.0000000 1.5138569 2 Hg 1.9201243 -0.1813045 0.1640602 -0.2825954 1.9612833 0.0409884 0.1985897 0.1710490 2.1784587 3 Hg 2.2679180 -0.0000000 0.4680401 0.0000000 1.5718492 0.0000000 0.7039396 -0.0000000 2.0516909 4 Hg 1.9201243 -0.1813045 0.1640602 -0.2825954 1.9612833 0.0409884 0.1985897 0.1710490 2.1784587 5 Hg 1.9201243 0.1813045 0.1640602 0.2825954 1.9612833 -0.0409884 0.1985897 -0.1710490 2.1784587 6 Hg 1.9201243 0.1813045 0.1640602 0.2825954 1.9612833 -0.0409884 0.1985897 -0.1710490 2.1784587 7 Cl -0.8789112 -0.1865565 -0.0720785 -0.2013119 -0.8638232 0.0724892 -0.0478033 -0.0329108 -1.1420986 8 Cl -1.1466019 0.3907844 0.0362830 0.3988026 -0.8239949 -0.2538684 -0.0150967 -0.1557057 -1.0609460 9 Cl -1.1466019 -0.3907844 0.0362830 -0.3988026 -0.8239949 0.2538684 -0.0150967 0.1557057 -1.0609460 10 Cl -1.4027021 -0.0000000 -0.3186044 0.0000000 -2.1068341 0.0000000 -0.2721983 -0.0000000 -1.1929723 11 Cl -1.1466019 0.3907844 0.0362830 0.3988026 -0.8239949 -0.2538684 -0.0150967 -0.1557057 -1.0609460 12 Cl -0.8789112 0.1865565 -0.0720785 0.2013119 -0.8638232 -0.0724892 -0.0478033 0.0329108 -1.1420986 13 Cl -0.8857269 -0.0000000 -0.2637103 0.0000000 -0.8977091 0.0000000 -0.3384792 -0.0000000 -1.1371160 14 Cl -0.8857269 -0.0000000 -0.2637103 0.0000000 -0.8977091 0.0000000 -0.3384792 -0.0000000 -1.1371160 15 Cl -0.8789112 0.1865565 -0.0720785 0.2013119 -0.8638232 -0.0724892 -0.0478033 0.0329108 -1.1420986 16 Cl -1.1466019 -0.3907844 0.0362830 -0.3988026 -0.8239949 0.2538684 -0.0150967 0.1557057 -1.0609460 17 Cl -0.8789112 -0.1865565 -0.0720785 -0.2013119 -0.8638232 0.0724892 -0.0478033 -0.0329108 -1.1420986 ---------------------------------------------------------------------------- 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: 408/408 Permutation basis: 13254/13254 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 2804 Number of blocks in projector: 2804 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: 638 Use submatrix version of eigh solver. (1) Block: 500 / 638 (2) Block: 250 / 500 (2) 237 eigenvectors found. (2) Block: 500 / 500 (2) 239 eigenvectors found. (2) Complementary block size: 24 (2) Compute compressed projector. (2) Use standard solver. (2) 11 eigenvectors found. (1) 487 eigenvectors found. (1) Block: 638 / 638 (1) 131 eigenvectors found. (1) Complementary block size: 20 (1) Compute compressed projector. (1) Use standard solver. (1) 7 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 528 Use submatrix version of eigh solver. (1) Block: 528 / 528 (2) Block: 250 / 528 (2) 244 eigenvectors found. (2) Block: 528 / 528 (2) 273 eigenvectors found. (2) Complementary block size: 11 (2) Compute compressed projector. (2) Use standard solver. (2) 5 eigenvectors found. (1) 522 eigenvectors found. (1) Complementary block size: 6 (1) Compute compressed projector. (1) Use standard solver. (1) 0 eigenvectors found. --- Eigsh_solver_block: 3 / 6 --- Block_size: 528 Use submatrix version of eigh solver. (1) Block: 528 / 528 (2) Block: 250 / 528 (2) 244 eigenvectors found. (2) Block: 528 / 528 (2) 273 eigenvectors found. (2) Complementary block size: 11 (2) Compute compressed projector. (2) Use standard solver. (2) 5 eigenvectors found. (1) 522 eigenvectors found. (1) Complementary block size: 6 (1) Compute compressed projector. (1) Use standard solver. (1) 0 eigenvectors found. --- Eigsh_solver_block: 4 / 6 --- Block_size: 370 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 370 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 370 Use standard eigh solver. Tree of FC basis block matrices: - (2804, 2758), data: False |-- (370, 363), data: True |-- (370, 363), data: True |-- (370, 363), data: True |-- (528, 522), data: False |-- (528, 522), data: False |-- (528, 5), data: (528, 11) @ (11, 5) |-- (278, 273), data: True |-- (250, 244), data: True |-- (528, 522), data: False |-- (528, 522), data: False |-- (528, 5), data: (528, 11) @ (11, 5) |-- (278, 273), data: True |-- (250, 244), data: True |-- (638, 625), data: False |-- (638, 7), data: (638, 20) @ (20, 7) |-- (138, 131), data: True |-- (500, 487), data: False |-- (500, 11), data: (500, 24) @ (24, 11) |-- (250, 239), data: True |-- (250, 237), data: True ----- Solver_atoms: 1 -- 136 / 136 Time (Solver_compr_matrix_reshape): 0.004 Solver_block: 100 / 560 - Time: 0.998 Solver_block: 200 / 560 - Time: 0.951 Solver_block: 300 / 560 - Time: 0.969 Solver_block: 400 / 560 - Time: 0.955 Solver_block: 500 / 560 - Time: 0.963 Solver_block: 560 / 560 - Time: 0.621 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 5.570 --------------------------------- Symfc end -------------------------------- Max drift of force constants: 0.00000000 (zz) 0.00000000 (zz) Permutation basis: 408/408 Permutation basis: 13254/13254 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 2804 Number of blocks in projector: 2804 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: 638 Use submatrix version of eigh solver. (1) Block: 500 / 638 (2) Block: 250 / 500 (2) 237 eigenvectors found. (2) Block: 500 / 500 (2) 239 eigenvectors found. (2) Complementary block size: 24 (2) Compute compressed projector. (2) Use standard solver. (2) 11 eigenvectors found. (1) 487 eigenvectors found. (1) Block: 638 / 638 (1) 131 eigenvectors found. (1) Complementary block size: 20 (1) Compute compressed projector. (1) Use standard solver. (1) 7 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 528 Use submatrix version of eigh solver. (1) Block: 528 / 528 (2) Block: 250 / 528 (2) 244 eigenvectors found. (2) Block: 528 / 528 (2) 273 eigenvectors found. (2) Complementary block size: 11 (2) Compute compressed projector. (2) Use standard solver. (2) 5 eigenvectors found. (1) 522 eigenvectors found. (1) Complementary block size: 6 (1) Compute compressed projector. (1) Use standard solver. (1) 0 eigenvectors found. --- Eigsh_solver_block: 3 / 6 --- Block_size: 528 Use submatrix version of eigh solver. (1) Block: 528 / 528 (2) Block: 250 / 528 (2) 244 eigenvectors found. (2) Block: 528 / 528 (2) 273 eigenvectors found. (2) Complementary block size: 11 (2) Compute compressed projector. (2) Use standard solver. (2) 5 eigenvectors found. (1) 522 eigenvectors found. (1) Complementary block size: 6 (1) Compute compressed projector. (1) Use standard solver. (1) 0 eigenvectors found. --- Eigsh_solver_block: 4 / 6 --- Block_size: 370 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 370 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 370 Use standard eigh solver. Tree of FC basis block matrices: - (2804, 2758), data: False |-- (370, 363), data: True |-- (370, 363), data: True |-- (370, 363), data: True |-- (528, 522), data: False |-- (528, 522), data: False |-- (528, 5), data: (528, 11) @ (11, 5) |-- (278, 273), data: True |-- (250, 244), data: True |-- (528, 522), data: False |-- (528, 522), data: False |-- (528, 5), data: (528, 11) @ (11, 5) |-- (278, 273), data: True |-- (250, 244), data: True |-- (638, 625), data: False |-- (638, 7), data: (638, 20) @ (20, 7) |-- (138, 131), data: True |-- (500, 487), data: False |-- (500, 11), data: (500, 24) @ (24, 11) |-- (250, 239), data: True |-- (250, 237), data: True Max drift after symmetrization by symfc projector: 0.00000000 (zz) 0.00000000 (zz) Force constants are written into "force_constants.hdf5". ---------------------------------------------------------------------------- One of the following run modes may be specified for phonon calculations. - Mesh sampling (MESH, --mesh) - Q-points (QPOINTS, --qpoints) - Band structure (BAND, --band) - Animation (ANIME, --anime) - Modulation (MODULATION, --modulation) - Characters of Irreps (IRREPS, --irreps) - Create displacements (CREATE_DISPLACEMENTS, -d) ---------------------------------------------------------------------------- Summary of calculation was written in "phonopy.yaml". -------------------------[time 2026-01-08 18:09:23]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 18:09:23]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: force constants HDF5 data compression filter: gzip Crystal structure was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". Supercell (dim): [2 1 2] Primitive matrix: [0.5 0.5 0. ] [-0.5 0.5 0. ] [0. 0. 1.] Spacegroup: C2/m (12) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 5.736654090021156 -7.118613389999999 0.000000000000000 b 5.736654090021156 7.118613389999999 0.000000000000000 c -3.179205642483853 0.000000000000000 5.914303365716322 Atomic positions (fractional): 1 Cs 0.00000000000000 0.00000000000000 0.00000000000000 132.905 2 Hg 0.64869676630419 0.97804284227810 0.32177540604561 200.590 3 Hg 0.50000000000000 0.50000000000000 0.00000000000000 200.590 4 Hg 0.35130323369581 0.02195715772190 0.67822459395438 200.590 5 Hg 0.02195715772190 0.35130323369581 0.67822459395438 200.590 6 Hg 0.97804284227810 0.64869676630419 0.32177540604561 200.590 7 Cl 0.42266383413743 0.17236109347738 0.05964764525071 35.453 8 Cl 0.29745668931901 0.85935970946298 0.30542206922736 35.453 9 Cl 0.85935970946298 0.29745668931901 0.30542206922736 35.453 10 Cl 0.00000000000000 0.00000000000000 0.50000000000000 35.453 11 Cl 0.70254331068099 0.14064029053702 0.69457793077264 35.453 12 Cl 0.17236109347738 0.42266383413743 0.05964764525071 35.453 13 Cl 0.35115313334775 0.35115313334775 0.61440391332845 35.453 14 Cl 0.64884686665225 0.64884686665225 0.38559608667155 35.453 15 Cl 0.82763890652262 0.57733616586257 0.94035235474929 35.453 16 Cl 0.14064029053702 0.70254331068099 0.69457793077264 35.453 17 Cl 0.57733616586257 0.82763890652262 0.94035235474929 35.453 -------------------------------- supercell --------------------------------- Lattice vectors: a 22.946616360084626 0.000000000000000 0.000000000000000 b 0.000000000000000 14.237226779999999 0.000000000000000 c -6.358411284967706 0.000000000000000 11.828606731432645 Atomic positions (fractional): 1 Cs 0.00000000000000 0.00000000000000 0.00000000000000 132.905 > 1 2 Cs 0.50000000000000 0.00000000000000 0.00000000000000 132.905 > 1 3 Cs 0.00000000000000 0.00000000000000 0.50000000000000 132.905 > 1 4 Cs 0.50000000000000 0.00000000000000 0.50000000000000 132.905 > 1 5 Cs 0.25000000000000 0.50000000000000 0.00000000000000 132.905 > 1 6 Cs 0.75000000000000 0.50000000000000 0.00000000000000 132.905 > 1 7 Cs 0.25000000000000 0.50000000000000 0.50000000000000 132.905 > 1 8 Cs 0.75000000000000 0.50000000000000 0.50000000000000 132.905 > 1 9 Hg 0.40668490214557 0.16467303798696 0.16088770302281 200.590 > 9 10 Hg 0.90668490214557 0.16467303798696 0.16088770302281 200.590 > 9 11 Hg 0.40668490214557 0.16467303798696 0.66088770302281 200.590 > 9 12 Hg 0.90668490214557 0.16467303798696 0.66088770302281 200.590 > 9 13 Hg 0.25000000000000 0.00000000000000 0.00000000000000 200.590 > 13 14 Hg 0.75000000000000 0.00000000000000 0.00000000000000 200.590 > 13 15 Hg 0.25000000000000 0.00000000000000 0.50000000000000 200.590 > 13 16 Hg 0.75000000000000 0.00000000000000 0.50000000000000 200.590 > 13 17 Hg 0.09331509785443 0.83532696201305 0.33911229697719 200.590 > 17 18 Hg 0.59331509785443 0.83532696201305 0.33911229697719 200.590 > 17 19 Hg 0.09331509785443 0.83532696201305 0.83911229697719 200.590 > 17 20 Hg 0.59331509785443 0.83532696201305 0.83911229697719 200.590 > 17 21 Hg 0.09331509785443 0.16467303798696 0.33911229697719 200.590 > 21 22 Hg 0.59331509785443 0.16467303798696 0.33911229697719 200.590 > 21 23 Hg 0.09331509785443 0.16467303798696 0.83911229697719 200.590 > 21 24 Hg 0.59331509785443 0.16467303798696 0.83911229697719 200.590 > 21 25 Hg 0.40668490214557 0.83532696201305 0.16088770302281 200.590 > 25 26 Hg 0.90668490214557 0.83532696201305 0.16088770302281 200.590 > 25 27 Hg 0.40668490214557 0.83532696201305 0.66088770302281 200.590 > 25 28 Hg 0.90668490214557 0.83532696201305 0.66088770302281 200.590 > 25 29 Hg 0.15668490214557 0.66467303798695 0.16088770302281 200.590 > 9 30 Hg 0.65668490214557 0.66467303798695 0.16088770302281 200.590 > 9 31 Hg 0.15668490214557 0.66467303798695 0.66088770302281 200.590 > 9 32 Hg 0.65668490214557 0.66467303798695 0.66088770302281 200.590 > 9 33 Hg 0.00000000000000 0.50000000000000 0.00000000000000 200.590 > 13 34 Hg 0.50000000000000 0.50000000000000 0.00000000000000 200.590 > 13 35 Hg 0.00000000000000 0.50000000000000 0.50000000000000 200.590 > 13 36 Hg 0.50000000000000 0.50000000000000 0.50000000000000 200.590 > 13 37 Hg 0.34331509785443 0.33532696201305 0.33911229697719 200.590 > 17 38 Hg 0.84331509785443 0.33532696201305 0.33911229697719 200.590 > 17 39 Hg 0.34331509785443 0.33532696201305 0.83911229697719 200.590 > 17 40 Hg 0.84331509785443 0.33532696201305 0.83911229697719 200.590 > 17 41 Hg 0.34331509785443 0.66467303798695 0.33911229697719 200.590 > 21 42 Hg 0.84331509785443 0.66467303798695 0.33911229697719 200.590 > 21 43 Hg 0.34331509785443 0.66467303798695 0.83911229697719 200.590 > 21 44 Hg 0.84331509785443 0.66467303798695 0.83911229697719 200.590 > 21 45 Hg 0.15668490214557 0.33532696201305 0.16088770302281 200.590 > 25 46 Hg 0.65668490214557 0.33532696201305 0.16088770302281 200.590 > 25 47 Hg 0.15668490214557 0.33532696201305 0.66088770302281 200.590 > 25 48 Hg 0.65668490214557 0.33532696201305 0.66088770302281 200.590 > 25 49 Cl 0.14875623190370 0.87484862966998 0.02982382262536 35.453 > 49 50 Cl 0.64875623190370 0.87484862966998 0.02982382262536 35.453 > 49 51 Cl 0.14875623190370 0.87484862966998 0.52982382262536 35.453 > 49 52 Cl 0.64875623190370 0.87484862966998 0.52982382262536 35.453 > 49 53 Cl 0.28920409969550 0.28095151007198 0.15271103461368 35.453 > 53 54 Cl 0.78920409969550 0.28095151007198 0.15271103461368 35.453 > 53 55 Cl 0.28920409969550 0.28095151007198 0.65271103461368 35.453 > 53 56 Cl 0.78920409969550 0.28095151007198 0.65271103461368 35.453 > 53 57 Cl 0.28920409969550 0.71904848992801 0.15271103461368 35.453 > 57 58 Cl 0.78920409969550 0.71904848992801 0.15271103461368 35.453 > 57 59 Cl 0.28920409969550 0.71904848992801 0.65271103461368 35.453 > 57 60 Cl 0.78920409969550 0.71904848992801 0.65271103461368 35.453 > 57 61 Cl 0.00000000000000 0.00000000000000 0.25000000000000 35.453 > 61 62 Cl 0.50000000000000 0.00000000000000 0.25000000000000 35.453 > 61 63 Cl 0.00000000000000 0.00000000000000 0.75000000000000 35.453 > 61 64 Cl 0.50000000000000 0.00000000000000 0.75000000000000 35.453 > 61 65 Cl 0.21079590030450 0.71904848992801 0.34728896538632 35.453 > 65 66 Cl 0.71079590030450 0.71904848992801 0.34728896538632 35.453 > 65 67 Cl 0.21079590030450 0.71904848992801 0.84728896538632 35.453 > 65 68 Cl 0.71079590030450 0.71904848992801 0.84728896538632 35.453 > 65 69 Cl 0.14875623190370 0.12515137033002 0.02982382262536 35.453 > 69 70 Cl 0.64875623190370 0.12515137033002 0.02982382262536 35.453 > 69 71 Cl 0.14875623190370 0.12515137033002 0.52982382262536 35.453 > 69 72 Cl 0.64875623190370 0.12515137033002 0.52982382262536 35.453 > 69 73 Cl 0.17557656667387 0.00000000000000 0.30720195666422 35.453 > 73 74 Cl 0.67557656667387 0.00000000000000 0.30720195666422 35.453 > 73 75 Cl 0.17557656667387 0.00000000000000 0.80720195666422 35.453 > 73 76 Cl 0.67557656667387 0.00000000000000 0.80720195666422 35.453 > 73 77 Cl 0.32442343332613 0.00000000000000 0.19279804333578 35.453 > 77 78 Cl 0.82442343332613 0.00000000000000 0.19279804333578 35.453 > 77 79 Cl 0.32442343332613 0.00000000000000 0.69279804333578 35.453 > 77 80 Cl 0.82442343332613 0.00000000000000 0.69279804333578 35.453 > 77 81 Cl 0.35124376809630 0.87484862966998 0.47017617737464 35.453 > 81 82 Cl 0.85124376809630 0.87484862966998 0.47017617737464 35.453 > 81 83 Cl 0.35124376809630 0.87484862966998 0.97017617737464 35.453 > 81 84 Cl 0.85124376809630 0.87484862966998 0.97017617737464 35.453 > 81 85 Cl 0.21079590030450 0.28095151007198 0.34728896538632 35.453 > 85 86 Cl 0.71079590030450 0.28095151007198 0.34728896538632 35.453 > 85 87 Cl 0.21079590030450 0.28095151007198 0.84728896538632 35.453 > 85 88 Cl 0.71079590030450 0.28095151007198 0.84728896538632 35.453 > 85 89 Cl 0.35124376809630 0.12515137033002 0.47017617737464 35.453 > 89 90 Cl 0.85124376809630 0.12515137033002 0.47017617737464 35.453 > 89 91 Cl 0.35124376809630 0.12515137033002 0.97017617737464 35.453 > 89 92 Cl 0.85124376809630 0.12515137033002 0.97017617737464 35.453 > 89 93 Cl 0.39875623190370 0.37484862966998 0.02982382262536 35.453 > 49 94 Cl 0.89875623190370 0.37484862966998 0.02982382262536 35.453 > 49 95 Cl 0.39875623190370 0.37484862966998 0.52982382262536 35.453 > 49 96 Cl 0.89875623190370 0.37484862966998 0.52982382262536 35.453 > 49 97 Cl 0.03920409969550 0.78095151007199 0.15271103461368 35.453 > 53 98 Cl 0.53920409969550 0.78095151007199 0.15271103461368 35.453 > 53 99 Cl 0.03920409969550 0.78095151007199 0.65271103461368 35.453 > 53 100 Cl 0.53920409969550 0.78095151007199 0.65271103461368 35.453 > 53 101 Cl 0.03920409969550 0.21904848992802 0.15271103461368 35.453 > 57 102 Cl 0.53920409969550 0.21904848992802 0.15271103461368 35.453 > 57 103 Cl 0.03920409969550 0.21904848992802 0.65271103461368 35.453 > 57 104 Cl 0.53920409969550 0.21904848992802 0.65271103461368 35.453 > 57 105 Cl 0.25000000000000 0.50000000000000 0.25000000000000 35.453 > 61 106 Cl 0.75000000000000 0.50000000000000 0.25000000000000 35.453 > 61 107 Cl 0.25000000000000 0.50000000000000 0.75000000000000 35.453 > 61 108 Cl 0.75000000000000 0.50000000000000 0.75000000000000 35.453 > 61 109 Cl 0.46079590030450 0.21904848992802 0.34728896538632 35.453 > 65 110 Cl 0.96079590030450 0.21904848992802 0.34728896538632 35.453 > 65 111 Cl 0.46079590030450 0.21904848992802 0.84728896538632 35.453 > 65 112 Cl 0.96079590030450 0.21904848992802 0.84728896538632 35.453 > 65 113 Cl 0.39875623190370 0.62515137033002 0.02982382262536 35.453 > 69 114 Cl 0.89875623190370 0.62515137033002 0.02982382262536 35.453 > 69 115 Cl 0.39875623190370 0.62515137033002 0.52982382262536 35.453 > 69 116 Cl 0.89875623190370 0.62515137033002 0.52982382262536 35.453 > 69 117 Cl 0.42557656667387 0.50000000000000 0.30720195666422 35.453 > 73 118 Cl 0.92557656667387 0.50000000000000 0.30720195666422 35.453 > 73 119 Cl 0.42557656667387 0.50000000000000 0.80720195666422 35.453 > 73 120 Cl 0.92557656667387 0.50000000000000 0.80720195666422 35.453 > 73 121 Cl 0.07442343332613 0.50000000000000 0.19279804333578 35.453 > 77 122 Cl 0.57442343332613 0.50000000000000 0.19279804333578 35.453 > 77 123 Cl 0.07442343332613 0.50000000000000 0.69279804333578 35.453 > 77 124 Cl 0.57442343332613 0.50000000000000 0.69279804333578 35.453 > 77 125 Cl 0.10124376809630 0.37484862966998 0.47017617737464 35.453 > 81 126 Cl 0.60124376809630 0.37484862966998 0.47017617737464 35.453 > 81 127 Cl 0.10124376809630 0.37484862966998 0.97017617737464 35.453 > 81 128 Cl 0.60124376809630 0.37484862966998 0.97017617737464 35.453 > 81 129 Cl 0.46079590030450 0.78095151007199 0.34728896538632 35.453 > 85 130 Cl 0.96079590030450 0.78095151007199 0.34728896538632 35.453 > 85 131 Cl 0.46079590030450 0.78095151007199 0.84728896538632 35.453 > 85 132 Cl 0.96079590030450 0.78095151007199 0.84728896538632 35.453 > 85 133 Cl 0.10124376809630 0.62515137033002 0.47017617737464 35.453 > 89 134 Cl 0.60124376809630 0.62515137033002 0.47017617737464 35.453 > 89 135 Cl 0.10124376809630 0.62515137033002 0.97017617737464 35.453 > 89 136 Cl 0.60124376809630 0.62515137033002 0.97017617737464 35.453 > 89 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 3.4631857 0.0000000 0.1882328 0.0000000 3.4028040 0.0000000 0.1882320 0.0000000 3.9274729 -------------------------- Born effective charges -------------------------- 1 Cs 1.3277930 -0.0000000 -0.1350740 0.0000000 1.2365421 0.0000000 -0.2975416 -0.0000000 1.5138569 2 Hg 1.9201243 -0.1813045 0.1640602 -0.2825954 1.9612833 0.0409884 0.1985897 0.1710490 2.1784587 3 Hg 2.2679180 -0.0000000 0.4680401 0.0000000 1.5718492 0.0000000 0.7039396 -0.0000000 2.0516909 4 Hg 1.9201243 -0.1813045 0.1640602 -0.2825954 1.9612833 0.0409884 0.1985897 0.1710490 2.1784587 5 Hg 1.9201243 0.1813045 0.1640602 0.2825954 1.9612833 -0.0409884 0.1985897 -0.1710490 2.1784587 6 Hg 1.9201243 0.1813045 0.1640602 0.2825954 1.9612833 -0.0409884 0.1985897 -0.1710490 2.1784587 7 Cl -0.8789112 -0.1865565 -0.0720785 -0.2013119 -0.8638232 0.0724892 -0.0478033 -0.0329108 -1.1420986 8 Cl -1.1466019 0.3907844 0.0362830 0.3988026 -0.8239949 -0.2538684 -0.0150967 -0.1557057 -1.0609460 9 Cl -1.1466019 -0.3907844 0.0362830 -0.3988026 -0.8239949 0.2538684 -0.0150967 0.1557057 -1.0609460 10 Cl -1.4027021 -0.0000000 -0.3186044 0.0000000 -2.1068341 0.0000000 -0.2721983 -0.0000000 -1.1929723 11 Cl -1.1466019 0.3907844 0.0362830 0.3988026 -0.8239949 -0.2538684 -0.0150967 -0.1557057 -1.0609460 12 Cl -0.8789112 0.1865565 -0.0720785 0.2013119 -0.8638232 -0.0724892 -0.0478033 0.0329108 -1.1420986 13 Cl -0.8857269 -0.0000000 -0.2637103 0.0000000 -0.8977091 0.0000000 -0.3384792 -0.0000000 -1.1371160 14 Cl -0.8857269 -0.0000000 -0.2637103 0.0000000 -0.8977091 0.0000000 -0.3384792 -0.0000000 -1.1371160 15 Cl -0.8789112 0.1865565 -0.0720785 0.2013119 -0.8638232 -0.0724892 -0.0478033 0.0329108 -1.1420986 16 Cl -1.1466019 -0.3907844 0.0362830 -0.3988026 -0.8239949 0.2538684 -0.0150967 0.1557057 -1.0609460 17 Cl -0.8789112 -0.1865565 -0.0720785 -0.2013119 -0.8638232 0.0724892 -0.0478033 -0.0329108 -1.1420986 ---------------------------------------------------------------------------- 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] [-0.0047 0.0000 0.0088] [ 0.0047 0.0000 -0.0088] 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] [-0.0047 0.0000 0.0088] [ 0.0047 0.0000 -0.0088] 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] [-0.0047 0.0000 0.0088] [ 0.0047 0.0000 -0.0088] Computing fc3[ 49, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0047 0.0000 0.0088] [ 0.0047 0.0000 -0.0088] Computing fc3[ 53, 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] [-0.0047 0.0000 0.0088] [ 0.0047 0.0000 -0.0088] Computing fc3[ 61, 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] [-0.0047 0.0000 0.0088] [ 0.0047 0.0000 -0.0088] Computing fc3[ 73, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0047 0.0000 0.0088] [ 0.0047 0.0000 -0.0088] Expanding fc3. Symmetrizing fc3 by traditional approach (N=3). Symmetrizing fc2 by traditional approach (N=3). Max drift of fc3: -0.00000001 (zzz) -0.00000001 (zzz) -0.00000001 (zzz) 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 18:09:55]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 18:09:56]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: conductivity-RTA HDF5 data compression filter: gzip Crystal structure was read from "phono3py.yaml". Supercell (dim): [2 1 2] Primitive matrix: [0.5 0.5 0. ] [-0.5 0.5 0. ] [0. 0. 1.] Spacegroup: C2/m (12) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 5.736654090021156 -7.118613389999999 0.000000000000000 b 5.736654090021156 7.118613389999999 0.000000000000000 c -3.179205642483853 0.000000000000000 5.914303365716322 Atomic positions (fractional): 1 Cs 0.00000000000000 0.00000000000000 0.00000000000000 132.905 2 Hg 0.64869676630419 0.97804284227810 0.32177540604561 200.590 3 Hg 0.50000000000000 0.50000000000000 0.00000000000000 200.590 4 Hg 0.35130323369581 0.02195715772190 0.67822459395438 200.590 5 Hg 0.02195715772190 0.35130323369581 0.67822459395438 200.590 6 Hg 0.97804284227810 0.64869676630419 0.32177540604561 200.590 7 Cl 0.42266383413743 0.17236109347738 0.05964764525071 35.453 8 Cl 0.29745668931901 0.85935970946298 0.30542206922736 35.453 9 Cl 0.85935970946298 0.29745668931901 0.30542206922736 35.453 10 Cl 0.00000000000000 0.00000000000000 0.50000000000000 35.453 11 Cl 0.70254331068099 0.14064029053702 0.69457793077264 35.453 12 Cl 0.17236109347738 0.42266383413743 0.05964764525071 35.453 13 Cl 0.35115313334775 0.35115313334775 0.61440391332845 35.453 14 Cl 0.64884686665225 0.64884686665225 0.38559608667155 35.453 15 Cl 0.82763890652262 0.57733616586257 0.94035235474929 35.453 16 Cl 0.14064029053702 0.70254331068099 0.69457793077264 35.453 17 Cl 0.57733616586257 0.82763890652262 0.94035235474929 35.453 -------------------------------- supercell --------------------------------- Lattice vectors: a 22.946616360084626 0.000000000000000 0.000000000000000 b 0.000000000000000 14.237226779999999 0.000000000000000 c -6.358411284967706 0.000000000000000 11.828606731432645 Atomic positions (fractional): 1 Cs 0.00000000000000 0.00000000000000 0.00000000000000 132.905 > 1 2 Cs 0.50000000000000 0.00000000000000 0.00000000000000 132.905 > 1 3 Cs 0.00000000000000 0.00000000000000 0.50000000000000 132.905 > 1 4 Cs 0.50000000000000 0.00000000000000 0.50000000000000 132.905 > 1 5 Cs 0.25000000000000 0.50000000000000 0.00000000000000 132.905 > 1 6 Cs 0.75000000000000 0.50000000000000 0.00000000000000 132.905 > 1 7 Cs 0.25000000000000 0.50000000000000 0.50000000000000 132.905 > 1 8 Cs 0.75000000000000 0.50000000000000 0.50000000000000 132.905 > 1 9 Hg 0.40668490214557 0.16467303798696 0.16088770302281 200.590 > 9 10 Hg 0.90668490214557 0.16467303798696 0.16088770302281 200.590 > 9 11 Hg 0.40668490214557 0.16467303798696 0.66088770302281 200.590 > 9 12 Hg 0.90668490214557 0.16467303798696 0.66088770302281 200.590 > 9 13 Hg 0.25000000000000 0.00000000000000 0.00000000000000 200.590 > 13 14 Hg 0.75000000000000 0.00000000000000 0.00000000000000 200.590 > 13 15 Hg 0.25000000000000 0.00000000000000 0.50000000000000 200.590 > 13 16 Hg 0.75000000000000 0.00000000000000 0.50000000000000 200.590 > 13 17 Hg 0.09331509785443 0.83532696201305 0.33911229697719 200.590 > 17 18 Hg 0.59331509785443 0.83532696201305 0.33911229697719 200.590 > 17 19 Hg 0.09331509785443 0.83532696201305 0.83911229697719 200.590 > 17 20 Hg 0.59331509785443 0.83532696201305 0.83911229697719 200.590 > 17 21 Hg 0.09331509785443 0.16467303798696 0.33911229697719 200.590 > 21 22 Hg 0.59331509785443 0.16467303798696 0.33911229697719 200.590 > 21 23 Hg 0.09331509785443 0.16467303798696 0.83911229697719 200.590 > 21 24 Hg 0.59331509785443 0.16467303798696 0.83911229697719 200.590 > 21 25 Hg 0.40668490214557 0.83532696201305 0.16088770302281 200.590 > 25 26 Hg 0.90668490214557 0.83532696201305 0.16088770302281 200.590 > 25 27 Hg 0.40668490214557 0.83532696201305 0.66088770302281 200.590 > 25 28 Hg 0.90668490214557 0.83532696201305 0.66088770302281 200.590 > 25 29 Hg 0.15668490214557 0.66467303798695 0.16088770302281 200.590 > 9 30 Hg 0.65668490214557 0.66467303798695 0.16088770302281 200.590 > 9 31 Hg 0.15668490214557 0.66467303798695 0.66088770302281 200.590 > 9 32 Hg 0.65668490214557 0.66467303798695 0.66088770302281 200.590 > 9 33 Hg 0.00000000000000 0.50000000000000 0.00000000000000 200.590 > 13 34 Hg 0.50000000000000 0.50000000000000 0.00000000000000 200.590 > 13 35 Hg 0.00000000000000 0.50000000000000 0.50000000000000 200.590 > 13 36 Hg 0.50000000000000 0.50000000000000 0.50000000000000 200.590 > 13 37 Hg 0.34331509785443 0.33532696201305 0.33911229697719 200.590 > 17 38 Hg 0.84331509785443 0.33532696201305 0.33911229697719 200.590 > 17 39 Hg 0.34331509785443 0.33532696201305 0.83911229697719 200.590 > 17 40 Hg 0.84331509785443 0.33532696201305 0.83911229697719 200.590 > 17 41 Hg 0.34331509785443 0.66467303798695 0.33911229697719 200.590 > 21 42 Hg 0.84331509785443 0.66467303798695 0.33911229697719 200.590 > 21 43 Hg 0.34331509785443 0.66467303798695 0.83911229697719 200.590 > 21 44 Hg 0.84331509785443 0.66467303798695 0.83911229697719 200.590 > 21 45 Hg 0.15668490214557 0.33532696201305 0.16088770302281 200.590 > 25 46 Hg 0.65668490214557 0.33532696201305 0.16088770302281 200.590 > 25 47 Hg 0.15668490214557 0.33532696201305 0.66088770302281 200.590 > 25 48 Hg 0.65668490214557 0.33532696201305 0.66088770302281 200.590 > 25 49 Cl 0.14875623190370 0.87484862966998 0.02982382262536 35.453 > 49 50 Cl 0.64875623190370 0.87484862966998 0.02982382262536 35.453 > 49 51 Cl 0.14875623190370 0.87484862966998 0.52982382262536 35.453 > 49 52 Cl 0.64875623190370 0.87484862966998 0.52982382262536 35.453 > 49 53 Cl 0.28920409969550 0.28095151007198 0.15271103461368 35.453 > 53 54 Cl 0.78920409969550 0.28095151007198 0.15271103461368 35.453 > 53 55 Cl 0.28920409969550 0.28095151007198 0.65271103461368 35.453 > 53 56 Cl 0.78920409969550 0.28095151007198 0.65271103461368 35.453 > 53 57 Cl 0.28920409969550 0.71904848992801 0.15271103461368 35.453 > 57 58 Cl 0.78920409969550 0.71904848992801 0.15271103461368 35.453 > 57 59 Cl 0.28920409969550 0.71904848992801 0.65271103461368 35.453 > 57 60 Cl 0.78920409969550 0.71904848992801 0.65271103461368 35.453 > 57 61 Cl 0.00000000000000 0.00000000000000 0.25000000000000 35.453 > 61 62 Cl 0.50000000000000 0.00000000000000 0.25000000000000 35.453 > 61 63 Cl 0.00000000000000 0.00000000000000 0.75000000000000 35.453 > 61 64 Cl 0.50000000000000 0.00000000000000 0.75000000000000 35.453 > 61 65 Cl 0.21079590030450 0.71904848992801 0.34728896538632 35.453 > 65 66 Cl 0.71079590030450 0.71904848992801 0.34728896538632 35.453 > 65 67 Cl 0.21079590030450 0.71904848992801 0.84728896538632 35.453 > 65 68 Cl 0.71079590030450 0.71904848992801 0.84728896538632 35.453 > 65 69 Cl 0.14875623190370 0.12515137033002 0.02982382262536 35.453 > 69 70 Cl 0.64875623190370 0.12515137033002 0.02982382262536 35.453 > 69 71 Cl 0.14875623190370 0.12515137033002 0.52982382262536 35.453 > 69 72 Cl 0.64875623190370 0.12515137033002 0.52982382262536 35.453 > 69 73 Cl 0.17557656667387 0.00000000000000 0.30720195666422 35.453 > 73 74 Cl 0.67557656667387 0.00000000000000 0.30720195666422 35.453 > 73 75 Cl 0.17557656667387 0.00000000000000 0.80720195666422 35.453 > 73 76 Cl 0.67557656667387 0.00000000000000 0.80720195666422 35.453 > 73 77 Cl 0.32442343332613 0.00000000000000 0.19279804333578 35.453 > 77 78 Cl 0.82442343332613 0.00000000000000 0.19279804333578 35.453 > 77 79 Cl 0.32442343332613 0.00000000000000 0.69279804333578 35.453 > 77 80 Cl 0.82442343332613 0.00000000000000 0.69279804333578 35.453 > 77 81 Cl 0.35124376809630 0.87484862966998 0.47017617737464 35.453 > 81 82 Cl 0.85124376809630 0.87484862966998 0.47017617737464 35.453 > 81 83 Cl 0.35124376809630 0.87484862966998 0.97017617737464 35.453 > 81 84 Cl 0.85124376809630 0.87484862966998 0.97017617737464 35.453 > 81 85 Cl 0.21079590030450 0.28095151007198 0.34728896538632 35.453 > 85 86 Cl 0.71079590030450 0.28095151007198 0.34728896538632 35.453 > 85 87 Cl 0.21079590030450 0.28095151007198 0.84728896538632 35.453 > 85 88 Cl 0.71079590030450 0.28095151007198 0.84728896538632 35.453 > 85 89 Cl 0.35124376809630 0.12515137033002 0.47017617737464 35.453 > 89 90 Cl 0.85124376809630 0.12515137033002 0.47017617737464 35.453 > 89 91 Cl 0.35124376809630 0.12515137033002 0.97017617737464 35.453 > 89 92 Cl 0.85124376809630 0.12515137033002 0.97017617737464 35.453 > 89 93 Cl 0.39875623190370 0.37484862966998 0.02982382262536 35.453 > 49 94 Cl 0.89875623190370 0.37484862966998 0.02982382262536 35.453 > 49 95 Cl 0.39875623190370 0.37484862966998 0.52982382262536 35.453 > 49 96 Cl 0.89875623190370 0.37484862966998 0.52982382262536 35.453 > 49 97 Cl 0.03920409969550 0.78095151007199 0.15271103461368 35.453 > 53 98 Cl 0.53920409969550 0.78095151007199 0.15271103461368 35.453 > 53 99 Cl 0.03920409969550 0.78095151007199 0.65271103461368 35.453 > 53 100 Cl 0.53920409969550 0.78095151007199 0.65271103461368 35.453 > 53 101 Cl 0.03920409969550 0.21904848992802 0.15271103461368 35.453 > 57 102 Cl 0.53920409969550 0.21904848992802 0.15271103461368 35.453 > 57 103 Cl 0.03920409969550 0.21904848992802 0.65271103461368 35.453 > 57 104 Cl 0.53920409969550 0.21904848992802 0.65271103461368 35.453 > 57 105 Cl 0.25000000000000 0.50000000000000 0.25000000000000 35.453 > 61 106 Cl 0.75000000000000 0.50000000000000 0.25000000000000 35.453 > 61 107 Cl 0.25000000000000 0.50000000000000 0.75000000000000 35.453 > 61 108 Cl 0.75000000000000 0.50000000000000 0.75000000000000 35.453 > 61 109 Cl 0.46079590030450 0.21904848992802 0.34728896538632 35.453 > 65 110 Cl 0.96079590030450 0.21904848992802 0.34728896538632 35.453 > 65 111 Cl 0.46079590030450 0.21904848992802 0.84728896538632 35.453 > 65 112 Cl 0.96079590030450 0.21904848992802 0.84728896538632 35.453 > 65 113 Cl 0.39875623190370 0.62515137033002 0.02982382262536 35.453 > 69 114 Cl 0.89875623190370 0.62515137033002 0.02982382262536 35.453 > 69 115 Cl 0.39875623190370 0.62515137033002 0.52982382262536 35.453 > 69 116 Cl 0.89875623190370 0.62515137033002 0.52982382262536 35.453 > 69 117 Cl 0.42557656667387 0.50000000000000 0.30720195666422 35.453 > 73 118 Cl 0.92557656667387 0.50000000000000 0.30720195666422 35.453 > 73 119 Cl 0.42557656667387 0.50000000000000 0.80720195666422 35.453 > 73 120 Cl 0.92557656667387 0.50000000000000 0.80720195666422 35.453 > 73 121 Cl 0.07442343332613 0.50000000000000 0.19279804333578 35.453 > 77 122 Cl 0.57442343332613 0.50000000000000 0.19279804333578 35.453 > 77 123 Cl 0.07442343332613 0.50000000000000 0.69279804333578 35.453 > 77 124 Cl 0.57442343332613 0.50000000000000 0.69279804333578 35.453 > 77 125 Cl 0.10124376809630 0.37484862966998 0.47017617737464 35.453 > 81 126 Cl 0.60124376809630 0.37484862966998 0.47017617737464 35.453 > 81 127 Cl 0.10124376809630 0.37484862966998 0.97017617737464 35.453 > 81 128 Cl 0.60124376809630 0.37484862966998 0.97017617737464 35.453 > 81 129 Cl 0.46079590030450 0.78095151007199 0.34728896538632 35.453 > 85 130 Cl 0.96079590030450 0.78095151007199 0.34728896538632 35.453 > 85 131 Cl 0.46079590030450 0.78095151007199 0.84728896538632 35.453 > 85 132 Cl 0.96079590030450 0.78095151007199 0.84728896538632 35.453 > 85 133 Cl 0.10124376809630 0.62515137033002 0.47017617737464 35.453 > 89 134 Cl 0.60124376809630 0.62515137033002 0.47017617737464 35.453 > 89 135 Cl 0.10124376809630 0.62515137033002 0.97017617737464 35.453 > 89 136 Cl 0.60124376809630 0.62515137033002 0.97017617737464 35.453 > 89 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 3.4631857 0.0000000 0.1882328 0.0000000 3.4028040 0.0000000 0.1882320 0.0000000 3.9274729 -------------------------- Born effective charges -------------------------- 1 Cs 1.3277930 -0.0000000 -0.1350740 0.0000000 1.2365421 0.0000000 -0.2975416 -0.0000000 1.5138569 2 Hg 1.9201243 -0.1813045 0.1640602 -0.2825954 1.9612833 0.0409884 0.1985897 0.1710490 2.1784587 3 Hg 2.2679180 -0.0000000 0.4680401 0.0000000 1.5718492 0.0000000 0.7039396 -0.0000000 2.0516909 4 Hg 1.9201243 -0.1813045 0.1640602 -0.2825954 1.9612833 0.0409884 0.1985897 0.1710490 2.1784587 5 Hg 1.9201243 0.1813045 0.1640602 0.2825954 1.9612833 -0.0409884 0.1985897 -0.1710490 2.1784587 6 Hg 1.9201243 0.1813045 0.1640602 0.2825954 1.9612833 -0.0409884 0.1985897 -0.1710490 2.1784587 7 Cl -0.8789112 -0.1865565 -0.0720785 -0.2013119 -0.8638232 0.0724892 -0.0478033 -0.0329108 -1.1420986 8 Cl -1.1466019 0.3907844 0.0362830 0.3988026 -0.8239949 -0.2538684 -0.0150967 -0.1557057 -1.0609460 9 Cl -1.1466019 -0.3907844 0.0362830 -0.3988026 -0.8239949 0.2538684 -0.0150967 0.1557057 -1.0609460 10 Cl -1.4027021 -0.0000000 -0.3186044 0.0000000 -2.1068341 0.0000000 -0.2721983 -0.0000000 -1.1929723 11 Cl -1.1466019 0.3907844 0.0362830 0.3988026 -0.8239949 -0.2538684 -0.0150967 -0.1557057 -1.0609460 12 Cl -0.8789112 0.1865565 -0.0720785 0.2013119 -0.8638232 -0.0724892 -0.0478033 0.0329108 -1.1420986 13 Cl -0.8857269 -0.0000000 -0.2637103 0.0000000 -0.8977091 0.0000000 -0.3384792 -0.0000000 -1.1371160 14 Cl -0.8857269 -0.0000000 -0.2637103 0.0000000 -0.8977091 0.0000000 -0.3384792 -0.0000000 -1.1371160 15 Cl -0.8789112 0.1865565 -0.0720785 0.2013119 -0.8638232 -0.0724892 -0.0478033 0.0329108 -1.1420986 16 Cl -1.1466019 -0.3907844 0.0362830 -0.3988026 -0.8239949 0.2538684 -0.0150967 0.1557057 -1.0609460 17 Cl -0.8789112 -0.1865565 -0.0720785 -0.2013119 -0.8638232 0.0724892 -0.0478033 -0.0329108 -1.1420986 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: -0.00000001 (zzz) -0.00000001 (zzz) -0.00000001 (zzz) Max drift of fc2: 0.00000000 (zz) 0.00000000 (zz) --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperature: 0.0 10.0 20.0 30.0 40.0 ... 1000.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 Length for sampling mesh generation: 50.00 Generating grid system ... [ 6 6 8 ] 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: 301, Lambda: 0.10 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/89) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 89 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| -0.000 ( 0.000 0.000 0.000) 0.000 -0.000 ( 0.000 0.000 0.000) 0.000 0.000 ( 0.000 0.000 0.000) 0.000 0.430 ( 0.000 0.000 0.000) 0.000 0.587 ( 0.000 0.000 0.000) 0.000 0.733 ( 0.000 0.000 0.000) 0.000 0.752 ( 0.000 0.000 0.000) 0.000 0.854 ( 0.000 0.000 0.000) 0.000 0.933 ( 0.000 0.000 0.000) 0.000 0.982 ( 0.000 0.000 0.000) 0.000 1.023 ( 0.000 0.000 0.000) 0.000 1.135 ( 0.000 0.000 0.000) 0.000 1.313 ( 0.000 0.000 0.000) 0.000 1.360 ( 0.000 0.000 0.000) 0.000 1.407 ( 0.000 0.000 0.000) 0.000 1.498 ( 0.000 0.000 0.000) 0.000 1.562 ( 0.000 0.000 0.000) 0.000 1.641 ( 0.000 0.000 0.000) 0.000 1.802 ( 0.000 0.000 0.000) 0.000 1.871 ( 0.000 0.000 0.000) 0.000 1.974 ( 0.000 0.000 0.000) 0.000 2.124 ( 0.000 0.000 0.000) 0.000 2.199 ( 0.000 0.000 0.000) 0.000 2.218 ( 0.000 0.000 0.000) 0.000 2.228 ( 0.000 0.000 0.000) 0.000 2.519 ( 0.000 0.000 0.000) 0.000 2.590 ( 0.000 0.000 0.000) 0.000 2.630 ( 0.000 0.000 0.000) 0.000 2.686 ( 0.000 0.000 0.000) 0.000 2.787 ( 0.000 0.000 0.000) 0.000 2.882 ( 0.000 0.000 0.000) 0.000 2.909 ( 0.000 0.000 0.000) 0.000 3.247 ( 0.000 0.000 0.000) 0.000 3.540 ( 0.000 0.000 0.000) 0.000 3.602 ( 0.000 0.000 0.000) 0.000 4.122 ( 0.000 0.000 0.000) 0.000 4.138 ( 0.000 0.000 0.000) 0.000 4.258 ( 0.000 0.000 0.000) 0.000 4.372 ( 0.000 0.000 0.000) 0.000 4.442 ( 0.000 0.000 0.000) 0.000 4.510 ( 0.000 0.000 0.000) 0.000 8.431 ( 0.000 0.000 0.000) 0.000 8.481 ( 0.000 0.000 0.000) 0.000 8.716 ( 0.000 0.000 0.000) 0.000 8.729 ( 0.000 0.000 0.000) 0.000 8.802 ( 0.000 0.000 0.000) 0.000 10.071 ( 0.000 0.000 0.000) 0.000 10.244 ( 0.000 0.000 0.000) 0.000 10.269 ( 0.000 0.000 0.000) 0.000 10.296 ( 0.000 0.000 0.000) 0.000 10.305 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/89) ======================= q-point: ( 0.17 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.125 ( 8.716 -2.810 -4.650) 10.271 0.213 ( 6.325 -3.869 5.845) 9.441 0.413 ( 15.000 -9.567 8.156) 19.572 0.525 ( 3.379 3.203 3.723) 5.962 0.581 ( -0.473 0.534 0.806) 1.076 0.745 ( 2.027 -0.080 -0.969) 2.248 0.822 ( -5.352 -6.301 -2.563) 8.655 0.854 ( -0.357 -0.123 -0.155) 0.408 0.918 ( -1.794 -0.359 -0.487) 1.894 0.987 ( 0.441 1.497 0.423) 1.617 1.053 ( 2.021 0.245 2.450) 3.185 1.152 ( -5.831 -4.262 -0.538) 7.243 1.266 ( -0.722 4.056 -2.088) 4.618 1.342 ( -3.940 -2.120 -1.188) 4.629 1.396 ( -2.761 -0.692 -1.351) 3.151 1.537 ( 3.470 0.947 -1.159) 3.779 1.562 ( -1.100 -0.142 4.259) 4.401 1.667 ( 1.155 0.645 -0.596) 1.451 1.866 ( 0.367 -1.511 -0.630) 1.678 1.987 ( 5.339 5.063 2.150) 7.665 2.083 ( -5.646 2.716 1.482) 6.438 2.143 ( 0.784 -0.411 -2.307) 2.471 2.217 ( -0.115 0.472 3.284) 3.319 2.307 ( 3.870 -0.666 1.279) 4.130 2.481 ( -1.149 2.564 -2.950) 4.074 2.564 ( -3.026 -0.580 -1.511) 3.432 2.620 ( -1.909 -3.092 -0.668) 3.695 2.691 ( 0.821 -1.859 -4.506) 4.943 2.781 ( -0.456 0.056 -0.970) 1.073 2.854 ( -1.978 1.755 -0.792) 2.760 2.959 ( 1.143 -4.569 3.205) 5.697 3.244 ( 1.060 2.152 0.516) 2.454 3.543 ( 3.575 0.732 -4.028) 5.435 3.594 ( 5.026 1.002 -4.114) 6.572 3.632 ( 14.756 -6.066 -35.240) 38.684 4.063 ( -1.894 3.784 -1.232) 4.407 4.178 ( -2.000 -5.085 -0.936) 5.544 4.245 ( 0.267 2.779 1.092) 2.998 4.335 ( -0.542 2.379 -0.052) 2.440 4.463 ( -0.565 -0.194 2.974) 3.034 4.590 ( 1.807 -6.628 -2.809) 7.422 8.438 ( 0.051 -0.298 0.987) 1.032 8.481 ( 0.117 -0.294 -0.582) 0.663 8.688 ( -0.382 2.315 -0.503) 2.400 8.751 ( -0.091 -2.204 -0.134) 2.210 8.802 ( 0.085 0.407 0.334) 0.534 10.183 ( -2.778 5.781 12.726) 14.251 10.239 ( -0.895 1.546 3.003) 3.494 10.285 ( -0.297 -0.643 -1.746) 1.884 10.289 ( -2.392 -0.438 3.311) 4.108 10.334 ( 0.337 -0.824 1.466) 1.714 ======================= Grid point 2 (3/89) ======================= q-point: ( 0.33 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 148 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.238 ( 6.221 -2.379 -3.276) 7.423 0.344 ( 2.928 -0.990 3.572) 4.724 0.543 ( -1.137 0.688 1.150) 1.757 0.620 ( 3.975 -1.177 2.495) 4.838 0.734 ( 4.962 -3.202 2.885) 6.572 0.779 ( 0.182 -1.358 -3.281) 3.556 0.808 ( 4.081 -2.331 1.107) 4.829 0.868 ( 2.030 -2.558 2.529) 4.130 0.890 ( -1.533 -0.638 -0.789) 1.838 0.975 ( -0.147 1.061 0.220) 1.093 1.082 ( -2.077 1.717 1.179) 2.942 1.111 ( -0.765 -1.934 1.077) 2.342 1.211 ( 0.503 1.881 -1.829) 2.671 1.284 ( -5.126 -0.497 -0.609) 5.186 1.334 ( -3.552 1.282 -2.425) 4.488 1.524 ( -1.129 0.760 -0.216) 1.378 1.605 ( 1.657 0.067 1.487) 2.227 1.679 ( 1.548 -0.035 0.018) 1.549 1.883 ( -0.543 -1.881 0.038) 1.959 1.957 ( -2.273 3.535 -1.536) 4.475 2.070 ( 5.615 3.058 4.122) 7.607 2.168 ( -0.253 -2.698 0.985) 2.883 2.205 ( -1.746 1.148 0.339) 2.117 2.365 ( 4.720 5.494 2.653) 7.714 2.409 ( -4.919 -4.239 -5.247) 8.349 2.523 ( -1.413 -0.010 1.390) 1.982 2.622 ( -2.760 -3.482 -2.179) 4.948 2.685 ( 1.839 0.095 -3.458) 3.918 2.750 ( -1.264 0.032 -3.055) 3.306 2.806 ( -1.954 0.328 0.457) 2.033 3.065 ( 1.591 -5.080 2.925) 6.074 3.224 ( 0.661 3.987 -0.269) 4.050 3.564 ( -0.064 -1.221 1.454) 1.900 3.592 ( 2.005 1.961 -2.809) 3.969 3.673 ( 8.875 -2.068 -13.131) 15.983 3.978 ( -3.478 2.510 0.179) 4.293 4.182 ( -1.271 -1.661 -1.215) 2.419 4.237 ( -0.312 0.155 1.213) 1.262 4.316 ( 0.564 1.388 0.040) 1.498 4.475 ( -0.154 -0.108 1.199) 1.214 4.665 ( 1.750 -3.450 -0.999) 3.995 8.448 ( -0.088 -0.042 0.872) 0.877 8.487 ( 0.372 -0.810 -0.290) 0.938 8.651 ( -0.491 1.822 -0.619) 1.986 8.773 ( -0.043 -1.825 -0.207) 1.837 8.798 ( 0.062 0.873 0.430) 0.975 10.171 ( -0.644 1.885 2.447) 3.156 10.233 ( -0.699 1.364 3.019) 3.385 10.278 ( -0.126 -0.264 -0.591) 0.659 10.287 ( -0.900 -0.538 0.685) 1.253 10.355 ( 0.302 -0.504 0.603) 0.842 ======================= Grid point 3 (4/89) ======================= q-point: (-0.50 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 74 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.288 ( 0.000 -0.000 0.000) 0.000 0.388 ( 0.000 -0.000 -0.000) 0.000 0.527 ( 0.000 -0.000 0.000) 0.000 0.683 ( -0.000 -0.000 -0.000) 0.000 0.748 ( 0.000 -0.000 0.000) 0.000 0.789 ( 0.000 -0.000 -0.000) 0.000 0.828 ( 0.000 -0.000 0.000) 0.000 0.869 ( 0.000 -0.000 0.000) 0.000 0.959 ( 0.000 -0.000 0.000) 0.000 1.017 ( -0.000 -0.000 -0.000) 0.000 1.102 ( -0.000 0.000 -0.000) 0.000 1.104 ( 0.000 -0.000 0.000) 0.000 1.197 ( 0.000 -0.000 0.000) 0.000 1.204 ( 0.000 -0.000 0.000) 0.000 1.275 ( 0.000 -0.000 0.000) 0.000 1.508 ( 0.000 -0.000 0.000) 0.000 1.621 ( -0.000 -0.000 -0.000) 0.000 1.698 ( 0.000 0.000 0.000) 0.000 1.875 ( 0.000 -0.000 0.000) 0.000 1.928 ( 0.000 -0.000 0.000) 0.000 2.115 ( 0.000 -0.000 -0.000) 0.000 2.174 ( 0.000 -0.000 0.000) 0.000 2.202 ( 0.000 -0.000 0.000) 0.000 2.364 ( 0.000 0.000 0.000) 0.000 2.371 ( -0.000 -0.000 -0.000) 0.000 2.542 ( 0.000 -0.000 0.000) 0.000 2.595 ( 0.000 -0.000 0.000) 0.000 2.688 ( 0.000 -0.000 0.000) 0.000 2.724 ( 0.000 -0.000 0.000) 0.000 2.793 ( 0.000 -0.000 -0.000) 0.000 3.148 ( 0.000 -0.000 0.000) 0.000 3.175 ( 0.000 -0.000 -0.000) 0.000 3.579 ( -0.000 -0.000 0.000) 0.000 3.582 ( 0.000 0.000 -0.000) 0.000 3.704 ( -0.000 -0.000 0.000) 0.000 3.933 ( 0.000 -0.000 0.000) 0.000 4.177 ( 0.000 -0.000 0.000) 0.000 4.240 ( 0.000 -0.000 0.000) 0.000 4.313 ( 0.000 -0.000 0.000) 0.000 4.480 ( 0.000 -0.000 0.000) 0.000 4.696 ( 0.000 -0.000 0.000) 0.000 8.451 ( 0.000 -0.000 0.000) 0.000 8.497 ( 0.000 -0.000 -0.000) 0.000 8.632 ( 0.000 -0.000 0.000) 0.000 8.789 ( 0.000 -0.000 -0.000) 0.000 8.789 ( 0.000 0.000 0.000) 0.000 10.164 ( 0.000 -0.000 0.000) 0.000 10.232 ( 0.000 -0.000 -0.000) 0.000 10.276 ( 0.000 -0.000 0.000) 0.000 10.286 ( -0.000 -0.000 0.000) 0.000 10.362 ( 0.000 -0.000 0.000) 0.000 ======================= Grid point 8 (5/89) ======================= q-point: ( 0.17 0.17 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 87 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.237 ( 8.826 -0.000 -4.230) 9.787 0.343 ( 7.171 -0.000 4.799) 8.629 0.570 ( -1.757 0.000 1.419) 2.258 0.587 ( 5.418 -0.000 1.594) 5.647 0.687 ( 10.270 -0.000 9.465) 13.966 0.730 ( 0.140 -0.000 -1.576) 1.582 0.768 ( 2.794 -0.000 -1.610) 3.225 0.850 ( -0.306 0.000 -0.016) 0.306 0.881 ( -1.552 0.000 0.275) 1.576 0.994 ( -0.485 0.000 -0.662) 0.820 1.061 ( -2.221 0.000 0.024) 2.221 1.119 ( 1.492 -0.000 3.141) 3.477 1.207 ( -5.847 0.000 -1.239) 5.977 1.306 ( -0.589 0.000 -2.307) 2.381 1.340 ( -1.752 0.000 -2.122) 2.752 1.524 ( -4.104 0.000 2.852) 4.997 1.603 ( 2.709 -0.000 -1.867) 3.290 1.702 ( 2.323 -0.000 1.079) 2.561 1.834 ( -0.404 0.000 -0.422) 0.584 2.004 ( -8.067 0.000 1.476) 8.201 2.099 ( 1.515 -0.000 -2.662) 3.063 2.186 ( -2.109 0.000 0.418) 2.150 2.188 ( 7.011 -0.000 2.443) 7.425 2.421 ( 3.999 -0.000 4.530) 6.043 2.427 ( -7.122 0.000 -3.899) 8.120 2.523 ( 4.232 -0.000 -4.135) 5.917 2.546 ( -2.377 0.000 -0.453) 2.419 2.677 ( 3.088 -0.000 -4.823) 5.726 2.784 ( 0.148 -0.000 -0.045) 0.155 2.794 ( -3.979 0.000 -1.877) 4.400 2.995 ( 1.308 -0.000 5.617) 5.767 3.278 ( 1.341 -0.000 -0.435) 1.409 3.548 ( -3.134 0.000 0.844) 3.246 3.581 ( 20.151 -0.000 -33.739) 39.298 3.673 ( 3.807 -0.000 4.032) 5.546 4.050 ( -5.412 0.000 3.513) 6.452 4.074 ( -3.054 0.000 -3.686) 4.787 4.251 ( -3.928 0.000 2.265) 4.534 4.334 ( 0.185 -0.000 0.908) 0.926 4.498 ( 1.575 -0.000 1.244) 2.007 4.608 ( 5.394 -0.000 -0.388) 5.408 8.450 ( 0.221 -0.000 1.933) 1.945 8.474 ( 0.084 -0.000 -0.821) 0.826 8.684 ( -1.299 0.000 -1.351) 1.874 8.740 ( 0.557 -0.000 0.196) 0.591 8.809 ( 0.174 -0.000 0.458) 0.490 10.199 ( -1.092 0.000 -2.295) 2.542 10.262 ( -0.634 0.000 -1.558) 1.682 10.276 ( 0.612 -0.000 -1.296) 1.433 10.277 ( -5.719 0.000 12.951) 14.158 10.348 ( 0.502 -0.000 1.418) 1.504 ======================= Grid point 9 (6/89) ======================= q-point: ( 0.33 0.17 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.311 ( 6.081 1.306 -2.432) 6.678 0.433 ( 3.522 2.791 0.936) 4.590 0.552 ( -0.615 1.385 2.204) 2.675 0.679 ( 3.745 -0.923 1.427) 4.112 0.726 ( 0.086 -0.866 -1.415) 1.661 0.782 ( -1.193 -2.765 -1.366) 3.306 0.784 ( 0.007 -0.362 0.343) 0.499 0.848 ( -0.435 -0.762 -0.072) 0.880 0.966 ( -1.703 0.362 -1.153) 2.088 1.018 ( 7.821 -0.289 5.265) 9.432 1.041 ( 1.996 -1.410 1.764) 3.014 1.126 ( -2.226 -0.206 0.366) 2.266 1.156 ( -2.952 -0.597 0.654) 3.082 1.243 ( -2.833 -0.286 -2.715) 3.934 1.319 ( 1.709 3.056 -0.848) 3.603 1.485 ( -4.401 -1.385 2.216) 5.119 1.615 ( 1.862 -0.089 -3.314) 3.802 1.729 ( 1.122 1.992 1.763) 2.887 1.848 ( -2.035 -3.008 -0.849) 3.729 1.897 ( -4.560 -0.805 0.442) 4.651 2.069 ( -0.892 1.012 -2.719) 3.036 2.180 ( -2.351 -5.392 -3.231) 6.711 2.258 ( -0.487 5.588 -1.149) 5.726 2.336 ( 4.247 1.791 2.323) 5.162 2.487 ( 0.197 -2.348 -0.307) 2.376 2.513 ( 2.723 3.605 0.489) 4.544 2.596 ( 4.329 0.229 0.743) 4.399 2.680 ( 1.508 -0.310 -3.131) 3.490 2.737 ( -0.860 1.206 2.167) 2.625 2.802 ( 1.123 -0.434 -0.108) 1.209 3.060 ( 0.295 -2.627 3.390) 4.299 3.269 ( 0.299 3.188 -0.221) 3.210 3.510 ( -3.527 -2.147 -0.345) 4.144 3.616 ( 11.058 -0.272 -17.220) 20.466 3.740 ( 4.112 2.555 0.846) 4.915 3.955 ( -5.265 2.327 3.147) 6.560 4.063 ( -4.107 -6.305 -0.927) 7.581 4.208 ( -5.488 -2.135 2.768) 6.506 4.347 ( 1.431 1.551 0.810) 2.260 4.519 ( 1.942 1.784 0.610) 2.706 4.687 ( 4.288 -0.482 0.082) 4.316 8.460 ( 0.210 0.777 0.490) 0.942 8.483 ( 0.295 -0.987 0.866) 1.346 8.646 ( -1.323 0.751 -1.416) 2.078 8.757 ( 0.450 -1.051 -0.039) 1.143 8.812 ( 0.221 0.547 0.384) 0.704 10.163 ( -0.871 -0.035 -2.534) 2.680 10.236 ( -1.012 0.217 -1.036) 1.465 10.273 ( 0.322 -0.198 -1.313) 1.366 10.295 ( -1.941 0.514 6.582) 6.881 10.363 ( 0.248 0.058 0.981) 1.013 ======================= Grid point 10 (7/89) ======================= q-point: (-0.50 0.17 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.333 ( 1.798 3.980 0.109) 4.368 0.409 ( 1.062 4.502 -1.794) 4.961 0.557 ( 1.093 1.676 1.287) 2.379 0.656 ( -2.824 1.762 -1.692) 3.734 0.752 ( -2.381 -0.816 -0.659) 2.602 0.777 ( 2.336 -1.528 2.054) 3.466 0.828 ( -0.968 -0.447 1.003) 1.464 0.871 ( 1.308 -3.041 -0.182) 3.315 0.917 ( -2.710 0.774 -2.107) 3.519 0.987 ( -2.088 0.774 -3.004) 3.739 1.085 ( -2.466 2.818 0.441) 3.771 1.111 ( -2.057 -2.241 -0.459) 3.077 1.176 ( 2.114 0.933 0.762) 2.433 1.275 ( 4.634 -2.880 2.691) 6.084 1.328 ( 4.489 2.227 1.176) 5.147 1.475 ( -2.479 -2.899 1.868) 4.247 1.605 ( 0.401 0.284 -3.505) 3.539 1.704 ( -2.220 1.145 -0.141) 2.501 1.824 ( -2.433 -4.009 -0.212) 4.694 1.939 ( 1.743 -2.462 2.210) 3.739 1.990 ( -5.172 -0.605 -4.346) 6.783 2.166 ( -1.197 -1.724 -4.261) 4.750 2.219 ( 1.647 0.309 0.394) 1.721 2.373 ( 3.251 6.312 0.699) 7.134 2.484 ( -0.817 -2.318 -2.619) 3.592 2.534 ( 4.312 3.215 1.364) 5.549 2.640 ( 0.805 0.263 1.377) 1.617 2.702 ( 2.998 0.785 0.860) 3.216 2.779 ( 3.081 2.059 5.529) 6.656 2.823 ( 2.935 1.298 0.667) 3.278 3.109 ( -0.881 -3.822 -0.099) 3.924 3.209 ( -1.444 5.512 0.653) 5.735 3.496 ( -3.030 -4.200 -0.831) 5.245 3.622 ( 3.873 1.792 -7.536) 8.660 3.739 ( 0.957 3.620 0.859) 3.841 3.931 ( -1.377 -1.325 4.206) 4.619 4.078 ( -3.879 -6.707 -0.135) 7.749 4.193 ( -4.401 -4.861 1.457) 6.718 4.346 ( 1.072 2.888 0.723) 3.164 4.523 ( 1.995 2.750 -0.137) 3.401 4.731 ( 2.357 1.932 0.897) 3.177 8.456 ( 0.375 0.617 -0.298) 0.781 8.500 ( -0.137 0.063 1.034) 1.045 8.620 ( -0.667 -0.687 -0.652) 1.158 8.773 ( 0.239 -1.084 -0.270) 1.143 8.809 ( 0.251 1.123 0.277) 1.184 10.137 ( -0.501 -0.881 -3.324) 3.475 10.215 ( -0.654 -0.356 -1.378) 1.566 10.270 ( 0.104 -0.477 -1.161) 1.260 10.311 ( -0.342 1.010 3.809) 3.956 10.367 ( -0.064 0.466 0.356) 0.590 ======================= Grid point 11 (8/89) ======================= q-point: (-0.33 0.17 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.277 ( -0.952 6.597 1.123) 6.759 0.346 ( 1.214 7.258 -1.372) 7.486 0.554 ( 0.508 2.239 -0.517) 2.353 0.582 ( -1.235 1.956 -1.372) 2.689 0.647 ( -9.533 7.421 -3.695) 12.634 0.743 ( -2.903 -0.118 -0.071) 2.907 0.850 ( 2.000 -0.708 1.813) 2.791 0.883 ( 1.130 0.389 0.800) 1.438 0.926 ( 1.195 -1.669 0.281) 2.072 0.957 ( 0.399 0.297 -0.825) 0.963 1.033 ( -2.399 -0.060 -1.345) 2.751 1.145 ( 2.254 -3.738 -0.943) 4.465 1.211 ( 1.761 -0.787 1.966) 2.754 1.342 ( 0.855 -1.725 1.252) 2.297 1.396 ( 3.802 0.500 0.392) 3.855 1.491 ( -3.259 -2.197 0.721) 3.996 1.581 ( 1.771 0.688 -1.730) 2.570 1.672 ( -0.996 -0.000 -0.330) 1.049 1.843 ( -4.428 -5.051 -0.734) 6.757 1.898 ( -0.815 0.284 -1.524) 1.751 2.024 ( 2.808 -2.276 2.175) 4.218 2.143 ( -1.073 -2.208 -4.346) 4.992 2.256 ( 1.679 -1.300 1.231) 2.454 2.305 ( -0.145 6.815 -0.953) 6.883 2.513 ( 2.449 -2.044 -1.358) 3.467 2.559 ( 2.121 4.376 2.488) 5.463 2.652 ( -1.608 -3.402 0.317) 3.776 2.727 ( 2.507 4.856 1.231) 5.602 2.806 ( 1.493 0.763 0.367) 1.717 2.885 ( 4.412 4.591 5.431) 8.369 3.084 ( -2.319 4.671 -0.690) 5.261 3.161 ( -1.155 -3.430 -1.288) 3.842 3.496 ( -2.014 -3.388 -1.754) 4.314 3.589 ( 0.131 0.912 -2.320) 2.497 3.730 ( -2.002 3.302 9.635) 10.380 3.979 ( 0.607 -3.147 0.690) 3.278 4.110 ( -2.665 -7.071 0.773) 7.596 4.217 ( -1.730 -5.804 -0.039) 6.057 4.321 ( 0.252 3.962 0.499) 4.001 4.509 ( 1.455 3.164 -0.970) 3.615 4.727 ( 0.987 4.463 1.875) 4.941 8.450 ( 0.274 0.720 -0.593) 0.972 8.495 ( -0.398 0.782 0.652) 1.094 8.633 ( -0.007 -2.217 0.106) 2.220 8.785 ( 0.036 -0.894 -0.237) 0.926 8.798 ( 0.264 1.610 0.137) 1.637 10.109 ( -0.434 -1.098 -5.420) 5.547 10.208 ( -0.325 -1.068 -0.444) 1.202 10.271 ( 0.093 -0.754 -0.776) 1.086 10.320 ( 0.442 1.334 1.962) 2.414 10.356 ( -0.306 0.923 -0.381) 1.045 ======================= Grid point 12 (9/89) ======================= q-point: (-0.17 0.17 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 87 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.178 ( -0.000 7.392 0.000) 7.392 0.263 ( -0.000 10.626 0.000) 10.626 0.385 ( -0.000 14.158 0.000) 14.158 0.497 ( -0.000 4.860 0.000) 4.860 0.575 ( 0.000 -0.629 -0.000) 0.629 0.730 ( 0.000 -0.381 -0.000) 0.381 0.857 ( -0.000 0.492 0.000) 0.492 0.920 ( -0.000 0.302 0.000) 0.302 0.951 ( 0.000 -2.809 -0.000) 2.809 0.964 ( -0.000 1.947 0.000) 1.947 1.006 ( 0.000 -1.535 -0.000) 1.535 1.216 ( 0.000 -5.243 -0.000) 5.243 1.258 ( 0.000 -0.600 -0.000) 0.600 1.389 ( 0.000 -4.216 -0.000) 4.216 1.417 ( -0.000 2.406 0.000) 2.406 1.465 ( 0.000 -2.463 -0.000) 2.463 1.596 ( -0.000 1.253 0.000) 1.253 1.658 ( -0.000 0.748 0.000) 0.748 1.808 ( 0.000 -0.129 -0.000) 0.129 1.932 ( 0.000 -3.672 -0.000) 3.672 2.094 ( 0.000 -2.906 -0.000) 2.906 2.126 ( 0.000 -0.818 -0.000) 0.818 2.224 ( -0.000 5.509 0.000) 5.509 2.304 ( 0.000 -1.873 -0.000) 1.873 2.516 ( -0.000 4.469 0.000) 4.469 2.564 ( 0.000 -2.876 -0.000) 2.876 2.680 ( -0.000 5.315 0.000) 5.315 2.689 ( 0.000 -3.528 -0.000) 3.528 2.831 ( 0.000 -1.593 -0.000) 1.593 2.866 ( -0.000 7.473 0.000) 7.473 3.001 ( -0.000 4.790 0.000) 4.790 3.196 ( 0.000 -4.071 -0.000) 4.071 3.504 ( 0.000 -2.564 -0.000) 2.564 3.576 ( -0.000 0.154 0.000) 0.154 3.740 ( -0.000 1.562 0.000) 1.562 4.021 ( 0.000 -3.895 -0.000) 3.895 4.180 ( 0.000 -6.427 -0.000) 6.427 4.266 ( -0.000 5.533 0.000) 5.533 4.278 ( 0.000 -6.009 -0.000) 6.009 4.478 ( -0.000 2.877 0.000) 2.877 4.691 ( -0.000 4.941 0.000) 4.941 8.440 ( -0.000 0.727 0.000) 0.727 8.487 ( -0.000 0.494 0.000) 0.494 8.663 ( 0.000 -2.587 -0.000) 2.587 8.780 ( -0.000 1.993 0.000) 1.993 8.793 ( 0.000 -0.681 -0.000) 0.681 10.074 ( -0.000 0.287 0.000) 0.287 10.220 ( 0.000 -1.400 -0.000) 1.400 10.279 ( 0.000 -1.018 -0.000) 1.018 10.319 ( -0.000 1.419 0.000) 1.419 10.335 ( -0.000 1.223 0.000) 1.223 ======================= Grid point 15 (10/89) ======================= q-point: ( 0.33 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 89 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.382 ( 4.112 -0.000 -1.205) 4.285 0.494 ( 3.145 -0.000 -1.408) 3.446 0.588 ( 0.741 -0.000 2.552) 2.658 0.686 ( -4.798 0.000 -0.662) 4.844 0.724 ( 0.212 -0.000 0.091) 0.230 0.736 ( 1.337 -0.000 0.908) 1.616 0.804 ( 3.271 -0.000 -0.669) 3.339 0.834 ( -1.343 0.000 0.452) 1.417 0.927 ( -1.780 0.000 -2.016) 2.689 0.995 ( -3.602 0.000 -1.744) 4.002 1.077 ( -1.750 0.000 0.227) 1.765 1.120 ( -1.942 0.000 -0.979) 2.175 1.206 ( -0.495 0.000 -0.172) 0.524 1.233 ( 9.026 -0.000 5.324) 10.479 1.369 ( 2.615 -0.000 -0.700) 2.707 1.424 ( -4.316 0.000 3.717) 5.696 1.612 ( 1.498 -0.000 -3.818) 4.101 1.717 ( -7.176 0.000 -3.045) 7.796 1.770 ( -0.009 0.000 1.749) 1.749 1.885 ( 0.652 -0.000 2.157) 2.253 2.018 ( -5.036 0.000 -5.878) 7.740 2.090 ( 1.594 -0.000 -2.983) 3.382 2.310 ( -0.316 0.000 3.590) 3.604 2.372 ( 3.484 -0.000 -2.766) 4.448 2.512 ( 0.983 -0.000 0.376) 1.053 2.533 ( 0.136 -0.000 -3.699) 3.702 2.693 ( 4.598 -0.000 1.608) 4.871 2.696 ( 2.796 -0.000 0.822) 2.914 2.815 ( 5.697 -0.000 7.021) 9.041 2.828 ( 2.627 -0.000 0.517) 2.678 3.056 ( -1.134 0.000 0.635) 1.300 3.308 ( 0.528 -0.000 2.945) 2.992 3.419 ( -4.983 0.000 -2.680) 5.658 3.638 ( 9.350 -0.000 -16.106) 18.623 3.827 ( 2.307 -0.000 2.863) 3.677 3.907 ( -2.980 0.000 -3.071) 4.279 3.964 ( -5.315 0.000 5.931) 7.964 4.119 ( -7.633 0.000 3.785) 8.520 4.381 ( 1.233 -0.000 0.217) 1.252 4.560 ( 1.583 -0.000 0.666) 1.717 4.754 ( 4.025 -0.000 0.615) 4.072 8.469 ( 0.447 -0.000 -0.789) 0.907 8.495 ( 0.269 -0.000 2.364) 2.379 8.615 ( -1.516 0.000 -1.544) 2.164 8.758 ( 0.512 -0.000 -0.130) 0.528 8.822 ( 0.275 -0.000 0.288) 0.398 10.127 ( -0.781 0.000 -2.854) 2.959 10.211 ( -1.140 0.000 -1.218) 1.668 10.264 ( 0.183 -0.000 -1.491) 1.502 10.324 ( -0.865 0.000 4.803) 4.881 10.373 ( 0.012 -0.000 0.672) 0.672 ======================= Grid point 16 (11/89) ======================= q-point: (-0.50 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.397 ( 1.100 3.257 -0.546) 3.481 0.511 ( 4.397 5.755 0.646) 7.271 0.590 ( -0.250 1.613 0.216) 1.647 0.636 ( -1.205 -0.010 -0.166) 1.216 0.708 ( -1.237 0.719 -0.054) 1.432 0.762 ( -4.408 -0.692 -1.520) 4.714 0.792 ( -1.778 -2.225 1.095) 3.052 0.863 ( 1.784 -1.204 0.551) 2.222 0.897 ( 0.313 -0.656 -1.681) 1.831 0.935 ( -1.291 -0.815 -2.121) 2.614 1.079 ( 0.679 -0.090 0.020) 0.685 1.098 ( -0.443 0.994 0.400) 1.159 1.193 ( -0.124 0.613 -0.247) 0.672 1.312 ( -0.746 -1.248 1.446) 2.050 1.398 ( 1.558 -0.217 -0.386) 1.620 1.463 ( 2.115 -0.233 4.481) 4.960 1.592 ( 0.022 0.671 -2.158) 2.260 1.632 ( -2.390 -2.673 -2.564) 4.408 1.775 ( -1.357 -0.740 0.962) 1.820 1.912 ( -1.962 0.643 -2.585) 3.308 1.943 ( 0.768 -3.042 1.799) 3.616 2.088 ( -0.525 -1.843 -3.519) 4.007 2.310 ( 2.789 4.590 1.825) 5.672 2.442 ( 1.742 -3.029 -0.999) 3.634 2.450 ( -0.803 3.667 -1.229) 3.950 2.531 ( -0.944 -3.169 -2.186) 3.964 2.719 ( 2.410 4.931 1.683) 5.741 2.759 ( 2.389 -0.380 0.815) 2.553 2.877 ( 3.353 1.833 1.088) 3.973 2.968 ( 7.695 2.122 7.867) 11.207 3.041 ( -2.089 -2.752 -1.383) 3.721 3.251 ( -3.941 6.325 -1.273) 7.560 3.399 ( -1.696 -4.869 1.242) 5.304 3.614 ( 2.193 0.842 -9.511) 9.797 3.818 ( 3.140 4.341 -0.647) 5.397 3.926 ( -0.721 -2.680 3.233) 4.261 3.954 ( -3.417 -3.791 1.053) 5.211 4.069 ( -5.804 -5.355 2.532) 8.293 4.387 ( 0.614 1.430 -0.045) 1.557 4.574 ( 1.034 1.700 0.294) 2.011 4.797 ( 2.126 1.507 0.795) 2.725 8.467 ( 0.411 0.516 -0.447) 0.797 8.511 ( -0.041 0.460 1.233) 1.317 8.592 ( -0.752 -1.029 -0.666) 1.438 8.766 ( 0.245 -0.527 -0.205) 0.616 8.824 ( 0.216 0.582 0.174) 0.645 10.099 ( -0.477 -0.087 -2.216) 2.268 10.191 ( -0.692 -0.390 -0.820) 1.142 10.258 ( 0.042 -0.324 -0.869) 0.928 10.344 ( -0.061 0.548 2.690) 2.746 10.372 ( -0.176 0.381 -0.087) 0.429 ======================= Grid point 17 (12/89) ======================= q-point: (-0.33 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 89 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.340 ( -0.000 6.116 0.000) 6.116 0.485 ( -0.000 7.978 0.000) 7.978 0.573 ( -0.000 0.868 0.000) 0.868 0.615 ( -0.000 4.343 0.000) 4.343 0.618 ( -0.000 5.522 0.000) 5.522 0.713 ( 0.000 -1.116 -0.000) 1.116 0.852 ( 0.000 -5.336 -0.000) 5.336 0.868 ( -0.000 0.525 0.000) 0.525 0.925 ( 0.000 -0.271 -0.000) 0.271 0.942 ( 0.000 -3.778 -0.000) 3.778 1.042 ( -0.000 4.617 0.000) 4.617 1.118 ( 0.000 -2.615 -0.000) 2.615 1.206 ( 0.000 -2.584 -0.000) 2.584 1.332 ( 0.000 -1.868 -0.000) 1.868 1.413 ( 0.000 -1.166 -0.000) 1.166 1.467 ( -0.000 2.104 0.000) 2.104 1.609 ( -0.000 0.096 0.000) 0.096 1.634 ( 0.000 -3.261 -0.000) 3.261 1.774 ( 0.000 -1.420 -0.000) 1.420 1.884 ( 0.000 -0.156 -0.000) 0.156 2.013 ( 0.000 -4.684 -0.000) 4.684 2.084 ( 0.000 -2.006 -0.000) 2.006 2.301 ( -0.000 3.390 0.000) 3.390 2.364 ( -0.000 4.883 0.000) 4.883 2.501 ( 0.000 -1.804 -0.000) 1.804 2.564 ( 0.000 -5.677 -0.000) 5.677 2.671 ( -0.000 6.656 0.000) 6.656 2.786 ( 0.000 -0.121 -0.000) 0.121 2.855 ( -0.000 6.000 0.000) 6.000 3.043 ( -0.000 4.609 0.000) 4.609 3.082 ( 0.000 -3.114 -0.000) 3.114 3.105 ( -0.000 3.889 0.000) 3.889 3.437 ( 0.000 -3.091 -0.000) 3.091 3.581 ( -0.000 0.259 0.000) 0.259 3.803 ( -0.000 3.922 0.000) 3.922 3.946 ( 0.000 -2.397 -0.000) 2.397 4.004 ( 0.000 -7.305 -0.000) 7.305 4.119 ( 0.000 -7.400 -0.000) 7.400 4.366 ( -0.000 2.843 0.000) 2.843 4.554 ( -0.000 2.988 0.000) 2.988 4.789 ( -0.000 3.062 0.000) 3.062 8.460 ( -0.000 0.832 0.000) 0.832 8.504 ( -0.000 0.937 0.000) 0.937 8.606 ( 0.000 -2.140 -0.000) 2.140 8.774 ( 0.000 -0.778 -0.000) 0.778 8.817 ( -0.000 1.112 0.000) 1.112 10.083 ( -0.000 0.355 0.000) 0.355 10.191 ( 0.000 -0.972 -0.000) 0.972 10.260 ( 0.000 -0.608 -0.000) 0.608 10.348 ( -0.000 0.929 0.000) 0.929 10.360 ( -0.000 0.824 0.000) 0.824 ======================= Grid point 23 (13/89) ======================= q-point: ( 0.50 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 52 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.425 ( -0.000 0.000 0.000) 0.000 0.599 ( -0.000 0.000 0.000) 0.000 0.600 ( 0.000 -0.000 -0.000) 0.000 0.654 ( -0.000 0.000 0.000) 0.000 0.674 ( -0.000 0.000 0.000) 0.000 0.719 ( -0.000 0.000 0.000) 0.000 0.748 ( -0.000 0.000 0.000) 0.000 0.877 ( -0.000 0.000 0.000) 0.000 0.879 ( -0.000 0.000 0.000) 0.000 0.916 ( -0.000 0.000 0.000) 0.000 1.090 ( -0.000 0.000 0.000) 0.000 1.105 ( -0.000 0.000 0.000) 0.000 1.199 ( 0.000 -0.000 -0.000) 0.000 1.283 ( -0.000 0.000 0.000) 0.000 1.407 ( -0.000 0.000 0.000) 0.000 1.512 ( -0.000 0.000 0.000) 0.000 1.563 ( -0.000 0.000 0.000) 0.000 1.609 ( -0.000 0.000 0.000) 0.000 1.763 ( -0.000 0.000 0.000) 0.000 1.888 ( -0.000 0.000 0.000) 0.000 1.942 ( -0.000 0.000 0.000) 0.000 2.056 ( -0.000 0.000 0.000) 0.000 2.401 ( 0.000 -0.000 -0.000) 0.000 2.417 ( -0.000 0.000 0.000) 0.000 2.445 ( -0.000 0.000 0.000) 0.000 2.489 ( -0.000 0.000 0.000) 0.000 2.776 ( -0.000 0.000 0.000) 0.000 2.781 ( -0.000 0.000 0.000) 0.000 2.942 ( -0.000 0.000 0.000) 0.000 2.974 ( -0.000 0.000 0.000) 0.000 3.157 ( -0.000 0.000 0.000) 0.000 3.162 ( -0.000 0.000 0.000) 0.000 3.385 ( -0.000 0.000 0.000) 0.000 3.585 ( -0.000 0.000 0.000) 0.000 3.873 ( -0.000 0.000 0.000) 0.000 3.916 ( -0.000 0.000 0.000) 0.000 3.940 ( 0.000 -0.000 -0.000) 0.000 3.965 ( -0.000 0.000 0.000) 0.000 4.399 ( -0.000 0.000 0.000) 0.000 4.593 ( -0.000 0.000 0.000) 0.000 4.826 ( -0.000 0.000 0.000) 0.000 8.471 ( -0.000 0.000 0.000) 0.000 8.521 ( -0.000 0.000 0.000) 0.000 8.575 ( -0.000 0.000 0.000) 0.000 8.764 ( -0.000 0.000 0.000) 0.000 8.830 ( -0.000 0.000 0.000) 0.000 10.087 ( -0.000 0.000 0.000) 0.000 10.179 ( -0.000 0.000 0.000) 0.000 10.252 ( -0.000 0.000 0.000) 0.000 10.360 ( -0.000 0.000 0.000) 0.000 10.370 ( -0.000 0.000 0.000) 0.000 ======================= Grid point 39 (14/89) ======================= q-point: ( 0.00 0.00 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.163 ( 6.237 -0.000 7.739) 9.939 0.198 ( -2.812 0.000 9.088) 9.514 0.346 ( 4.296 -0.000 14.150) 14.788 0.578 ( 10.876 -0.000 2.603) 11.183 0.602 ( 0.599 -0.000 1.222) 1.361 0.727 ( -1.486 0.000 -0.947) 1.762 0.729 ( -0.814 0.000 -2.184) 2.330 0.844 ( 0.764 -0.000 -0.274) 0.812 0.948 ( -1.981 0.000 0.990) 2.214 0.986 ( 1.839 -0.000 0.342) 1.870 1.047 ( 2.391 -0.000 1.741) 2.958 1.106 ( 0.368 -0.000 -2.346) 2.375 1.349 ( -3.107 0.000 2.996) 4.317 1.380 ( -6.384 0.000 0.606) 6.412 1.398 ( -1.339 0.000 -0.871) 1.597 1.466 ( 2.097 -0.000 -2.961) 3.629 1.580 ( 4.722 -0.000 3.069) 5.632 1.741 ( 3.725 -0.000 5.928) 7.001 1.839 ( 18.158 -0.000 0.454) 18.164 1.854 ( -1.471 0.000 -1.388) 2.023 1.981 ( 3.170 -0.000 -0.346) 3.189 2.036 ( 5.061 -0.000 -4.872) 7.025 2.185 ( 4.125 -0.000 -4.255) 5.926 2.200 ( -0.206 0.000 0.471) 0.514 2.290 ( 1.746 -0.000 3.030) 3.497 2.530 ( -4.824 0.000 0.808) 4.891 2.585 ( 1.046 -0.000 -3.564) 3.714 2.621 ( -5.725 0.000 1.609) 5.947 2.647 ( -2.515 0.000 -2.487) 3.537 2.858 ( -1.738 0.000 0.471) 1.801 2.864 ( -2.166 0.000 -3.834) 4.403 2.941 ( 3.448 -0.000 2.753) 4.412 3.257 ( 0.227 -0.000 0.465) 0.517 3.546 ( 4.044 -0.000 -0.857) 4.134 3.623 ( 0.466 -0.000 3.366) 3.398 4.095 ( 0.374 -0.000 -3.054) 3.077 4.136 ( 1.700 -0.000 1.016) 1.981 4.301 ( -1.237 0.000 2.756) 3.021 4.377 ( 1.304 -0.000 0.507) 1.399 4.517 ( -0.989 0.000 0.542) 1.128 4.531 ( -3.389 0.000 0.340) 3.406 8.456 ( 0.208 -0.000 2.284) 2.293 8.485 ( -0.151 0.000 0.387) 0.415 8.711 ( -0.731 0.000 -0.364) 0.816 8.721 ( 0.604 -0.000 -0.751) 0.964 8.801 ( 0.296 -0.000 -0.576) 0.647 10.235 ( -1.898 0.000 -0.965) 2.129 10.259 ( 0.121 -0.000 -0.614) 0.626 10.263 ( -0.269 0.000 -1.185) 1.215 10.333 ( 1.022 -0.000 1.223) 1.594 10.582 ( 1.764 -0.000 -1.044) 2.050 ======================= Grid point 40 (15/89) ======================= q-point: ( 0.17 0.00 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.218 ( -2.047 -1.728 9.524) 9.893 0.341 ( 3.486 -2.560 5.626) 7.096 0.541 ( 7.084 -1.266 3.201) 7.876 0.600 ( -0.951 1.626 1.815) 2.616 0.680 ( 7.336 -1.348 8.480) 11.294 0.720 ( 0.880 -0.502 -1.627) 1.917 0.752 ( -0.559 -3.712 -2.134) 4.318 0.858 ( 0.109 -1.207 0.436) 1.288 0.914 ( -2.625 0.213 -0.189) 2.640 0.995 ( -0.328 0.443 0.792) 0.965 1.095 ( 0.229 -2.595 -0.976) 2.782 1.118 ( 1.899 0.100 0.473) 1.959 1.267 ( -5.236 2.964 0.852) 6.077 1.334 ( -4.044 -0.827 -0.604) 4.171 1.364 ( -4.161 -1.651 -0.771) 4.543 1.483 ( 2.729 0.405 -2.737) 3.886 1.664 ( 4.007 1.500 3.434) 5.487 1.720 ( -6.252 0.024 6.562) 9.064 1.848 ( -0.321 -2.736 -0.865) 2.887 2.002 ( 3.325 4.953 -2.421) 6.438 2.054 ( 4.777 -0.381 -5.329) 7.167 2.105 ( 2.659 4.137 2.251) 5.409 2.237 ( -3.034 -6.716 -1.836) 7.595 2.340 ( 8.806 1.620 0.093) 8.954 2.409 ( -4.198 4.459 -3.421) 7.015 2.519 ( 11.388 -11.898 -10.785) 19.687 2.546 ( -4.007 -5.133 -4.313) 7.810 2.591 ( -1.091 0.105 -1.610) 1.947 2.679 ( 10.004 -3.756 -3.408) 11.216 2.799 ( -0.588 -0.214 -4.522) 4.565 2.904 ( 8.960 -5.332 -5.145) 11.626 3.024 ( 2.979 -2.409 0.992) 3.958 3.271 ( 1.502 1.683 1.358) 2.633 3.565 ( 0.533 -0.794 -1.902) 2.128 3.668 ( 2.165 3.328 5.441) 6.735 4.057 ( -0.962 0.742 -1.148) 1.672 4.173 ( -2.065 -4.255 0.834) 4.802 4.289 ( -0.653 3.066 2.206) 3.833 4.347 ( 0.479 4.680 0.656) 4.750 4.509 ( -1.628 -0.317 1.381) 2.158 4.577 ( 2.303 -5.191 0.459) 5.697 8.469 ( -0.405 0.864 1.172) 1.511 8.492 ( -0.150 -0.912 2.071) 2.268 8.675 ( -0.851 1.940 -0.668) 2.221 8.741 ( 0.272 -1.983 -0.831) 2.167 8.800 ( 0.556 0.430 -0.678) 0.976 10.195 ( -1.912 0.139 -1.391) 2.368 10.239 ( -0.135 1.107 -1.044) 1.528 10.265 ( -0.201 -0.976 -0.626) 1.177 10.354 ( 0.715 -0.008 0.795) 1.069 10.482 ( -5.732 5.322 4.110) 8.836 ======================= Grid point 41 (16/89) ======================= q-point: ( 0.33 0.00 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.309 ( 0.127 -3.134 7.692) 8.307 0.399 ( 0.275 0.849 1.679) 1.902 0.572 ( -1.498 1.994 1.490) 2.905 0.661 ( 3.419 -1.582 1.681) 4.125 0.715 ( 0.131 -1.229 -1.928) 2.290 0.777 ( 2.698 -1.950 1.414) 3.616 0.826 ( 0.000 -0.044 0.033) 0.055 0.860 ( -1.735 -0.545 -1.204) 2.181 0.960 ( 3.495 -0.506 2.644) 4.411 1.008 ( 3.859 -2.475 4.645) 6.526 1.093 ( -4.069 -1.144 -1.129) 4.375 1.138 ( 0.801 1.626 1.510) 2.359 1.190 ( -0.493 1.582 -0.995) 1.933 1.276 ( -4.143 -0.795 -0.324) 4.231 1.296 ( -4.637 1.256 -0.108) 4.805 1.486 ( 2.103 1.128 -2.263) 3.289 1.679 ( -4.186 -0.944 2.817) 5.134 1.722 ( 0.366 1.157 5.771) 5.898 1.879 ( -0.133 -2.673 -0.536) 2.729 1.917 ( -0.464 4.049 -1.931) 4.510 2.101 ( -0.055 -6.330 -3.032) 7.019 2.144 ( 2.409 4.039 -0.291) 4.712 2.224 ( -0.386 -0.400 -1.295) 1.409 2.289 ( -4.060 -1.115 -3.750) 5.638 2.409 ( 4.518 3.273 1.077) 5.681 2.514 ( -1.324 -1.951 -5.207) 5.716 2.568 ( 1.286 -1.001 -0.128) 1.635 2.632 ( 1.991 -3.605 -1.282) 4.313 2.724 ( 1.559 1.611 0.528) 2.303 2.804 ( 0.274 -0.702 -0.768) 1.076 3.091 ( 1.948 -4.027 -2.377) 5.065 3.135 ( 13.143 -4.706 -9.155) 16.694 3.282 ( 5.158 -0.561 -5.442) 7.519 3.576 ( -1.757 -4.086 -0.472) 4.473 3.675 ( 2.083 5.450 2.766) 6.457 4.039 ( -2.028 -0.516 2.105) 2.968 4.192 ( -3.360 -4.548 1.376) 5.819 4.254 ( 0.122 3.326 0.392) 3.351 4.324 ( 2.324 4.028 0.669) 4.698 4.500 ( -1.323 -0.002 1.226) 1.804 4.668 ( 1.953 -3.251 0.891) 3.896 8.458 ( -0.510 0.670 0.472) 0.966 8.518 ( -0.276 -0.363 2.416) 2.459 8.639 ( -0.808 0.764 -0.537) 1.235 8.759 ( 0.280 -1.685 -1.062) 2.011 8.796 ( 0.646 0.958 -0.616) 1.309 10.157 ( -1.755 -0.199 -1.803) 2.523 10.219 ( -0.185 0.751 -0.332) 0.841 10.268 ( -0.283 -0.912 -0.633) 1.145 10.363 ( 0.196 0.504 0.289) 0.613 10.400 ( -3.208 3.475 4.243) 6.353 ======================= Grid point 42 (17/89) ======================= q-point: (-0.50 0.00 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.357 ( -1.949 1.117 -0.782) 2.378 0.399 ( -2.928 -1.355 7.259) 7.944 0.538 ( -0.401 2.339 0.300) 2.392 0.652 ( -3.144 1.637 -2.265) 4.206 0.751 ( 2.613 -0.325 1.131) 2.866 0.805 ( -1.451 -1.047 -0.641) 1.901 0.847 ( 0.722 0.545 1.678) 1.906 0.867 ( 2.832 -1.471 0.615) 3.251 0.959 ( -6.906 0.476 -2.035) 7.216 0.973 ( -2.645 1.673 -1.583) 3.507 1.114 ( -1.415 2.349 1.532) 3.141 1.121 ( -1.494 2.485 -0.125) 2.903 1.208 ( -0.937 -3.598 0.787) 3.801 1.225 ( 5.460 0.815 2.953) 6.261 1.303 ( 2.262 -1.246 2.074) 3.313 1.490 ( 1.790 0.778 -1.251) 2.319 1.645 ( -4.497 -1.285 0.401) 4.695 1.743 ( -1.931 0.712 5.773) 6.129 1.870 ( -0.673 -1.528 -0.519) 1.748 1.923 ( 3.372 1.571 -0.754) 3.796 2.083 ( -8.371 -5.074 -2.816) 10.186 2.096 ( 0.113 0.620 -4.601) 4.644 2.226 ( 2.319 0.796 -1.046) 2.665 2.285 ( 0.298 -3.104 -1.539) 3.477 2.428 ( 2.340 1.469 -1.767) 3.279 2.490 ( 2.291 1.166 0.327) 2.591 2.614 ( 3.241 -0.105 -0.016) 3.243 2.689 ( 0.899 -3.212 -0.201) 3.341 2.771 ( 5.034 2.137 3.550) 6.520 2.797 ( -0.840 0.541 0.530) 1.131 3.111 ( 0.146 3.306 -2.063) 3.900 3.175 ( 0.157 -1.259 -0.968) 1.596 3.402 ( 10.526 -5.858 -10.876) 16.230 3.566 ( -3.697 -2.305 -2.171) 4.867 3.695 ( 2.642 -1.072 1.281) 3.126 4.031 ( -1.813 -0.029 1.045) 2.093 4.206 ( -1.118 -1.308 1.838) 2.518 4.227 ( -0.318 0.521 -1.115) 1.271 4.323 ( 1.779 2.560 0.915) 3.249 4.489 ( -1.331 0.086 1.303) 1.865 4.715 ( 0.467 -0.040 1.458) 1.531 8.448 ( -0.303 0.574 0.395) 0.760 8.520 ( -0.845 0.852 1.189) 1.689 8.635 ( -0.162 -1.435 0.176) 1.455 8.772 ( 0.389 -1.036 -1.248) 1.668 8.788 ( 0.561 1.262 -0.251) 1.404 10.118 ( -1.566 0.073 -1.957) 2.508 10.215 ( -0.148 -0.240 0.823) 0.870 10.270 ( -0.277 -0.985 -0.604) 1.189 10.349 ( -0.996 1.837 1.545) 2.599 10.366 ( -0.745 1.657 1.055) 2.101 ======================= Grid point 43 (18/89) ======================= q-point: (-0.33 0.00 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.269 ( -4.022 4.203 -1.668) 6.051 0.377 ( -7.308 2.699 5.460) 9.513 0.521 ( -0.200 0.177 -1.131) 1.162 0.550 ( -3.560 2.934 -2.149) 5.089 0.686 ( -9.384 6.354 -0.683) 11.353 0.797 ( -3.885 0.039 -0.400) 3.905 0.832 ( 3.517 0.987 1.219) 3.851 0.849 ( 0.550 1.571 0.283) 1.689 0.916 ( 2.007 0.973 1.328) 2.596 0.971 ( -1.252 -2.098 -0.233) 2.454 1.048 ( -2.417 0.711 -1.935) 3.177 1.109 ( 2.014 1.186 0.833) 2.482 1.268 ( 0.762 -3.430 2.931) 4.576 1.319 ( 5.085 0.728 3.023) 5.961 1.375 ( 2.194 -1.216 1.333) 2.841 1.495 ( 2.545 1.883 -1.563) 3.530 1.586 ( -5.358 -1.657 -1.235) 5.743 1.748 ( -3.582 -0.373 6.182) 7.155 1.882 ( 1.097 0.189 -0.106) 1.118 1.962 ( 5.628 0.999 -1.806) 5.994 1.987 ( -8.698 -5.728 -2.780) 10.779 2.079 ( 1.846 -0.661 -5.332) 5.681 2.224 ( 0.878 4.066 0.585) 4.200 2.292 ( -0.802 -3.517 -3.957) 5.355 2.462 ( 2.781 -1.684 0.605) 3.307 2.553 ( 3.419 -0.236 3.853) 5.156 2.643 ( 1.708 1.486 -0.675) 2.363 2.721 ( -1.081 -2.354 -0.161) 2.596 2.790 ( 0.647 -0.327 -0.050) 0.726 2.841 ( 3.839 3.853 3.754) 6.609 3.007 ( -1.131 7.884 -1.918) 8.193 3.204 ( -0.760 -4.819 -1.860) 5.221 3.468 ( 0.814 -1.048 -6.023) 6.168 3.552 ( 2.580 -3.098 -3.954) 5.647 3.740 ( -1.607 -2.782 -6.474) 7.227 3.993 ( 0.537 -0.417 -7.262) 7.294 4.203 ( 1.637 3.678 -1.037) 4.158 4.232 ( -0.709 -2.497 2.198) 3.402 4.327 ( -0.115 -0.197 0.566) 0.610 4.488 ( -1.401 -1.060 2.732) 3.248 4.706 ( -0.737 3.207 1.542) 3.634 8.442 ( -0.134 0.624 0.764) 0.996 8.502 ( -0.871 0.711 0.029) 1.125 8.660 ( 0.107 -2.322 0.011) 2.325 8.768 ( 0.596 1.575 -0.724) 1.834 8.788 ( 0.368 -0.479 -0.223) 0.644 10.092 ( -0.691 0.257 2.433) 2.542 10.229 ( -0.190 -1.064 1.126) 1.561 10.274 ( -0.150 -0.903 -0.379) 0.991 10.328 ( -0.531 1.718 1.610) 2.414 10.341 ( -0.498 1.469 -0.510) 1.633 ======================= Grid point 44 (19/89) ======================= q-point: (-0.17 0.00 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.148 ( 0.279 8.248 4.082) 9.207 0.222 ( -5.883 9.912 0.607) 11.542 0.383 ( -12.750 3.563 6.688) 14.832 0.483 ( -2.876 1.518 0.713) 3.329 0.590 ( 0.369 1.042 1.482) 1.849 0.755 ( -2.621 -0.242 -0.241) 2.643 0.833 ( 3.588 6.061 -0.852) 7.095 0.848 ( 1.410 2.263 -1.742) 3.185 0.945 ( 1.179 0.449 2.091) 2.442 0.977 ( -0.787 -1.213 -0.365) 1.491 1.015 ( 0.071 -0.474 -0.703) 0.851 1.130 ( 3.375 2.304 -1.993) 4.547 1.342 ( -0.391 -2.760 3.997) 4.873 1.403 ( 2.766 0.655 3.465) 4.482 1.410 ( 1.931 -0.030 0.111) 1.934 1.504 ( -0.108 -0.141 -1.270) 1.282 1.510 ( -1.612 0.417 -1.908) 2.532 1.741 ( -5.270 -1.589 5.148) 7.536 1.870 ( -3.459 -0.673 0.111) 3.526 1.953 ( -0.861 -2.892 -1.046) 3.194 2.013 ( 6.325 2.044 -4.826) 8.214 2.087 ( 1.760 -3.201 -5.456) 6.566 2.193 ( 0.201 0.864 -0.145) 0.899 2.292 ( 1.042 1.985 -0.355) 2.270 2.507 ( -2.035 -1.222 -2.719) 3.609 2.617 ( -0.500 2.643 -1.130) 2.918 2.625 ( 0.524 -1.442 2.655) 3.067 2.660 ( -8.502 7.367 -12.549) 16.853 2.762 ( -5.513 6.048 -3.762) 9.007 2.834 ( 2.844 -1.123 1.294) 3.320 2.929 ( 1.223 4.064 -0.761) 4.311 3.150 ( -13.092 8.761 -20.145) 25.573 3.311 ( -11.431 3.021 -17.791) 21.361 3.500 ( 0.866 0.939 -4.638) 4.811 3.601 ( 0.989 -0.525 0.081) 1.123 4.029 ( 3.634 -4.752 -1.482) 6.163 4.164 ( 2.136 5.685 -1.467) 6.248 4.278 ( -0.738 -2.696 3.011) 4.108 4.337 ( 0.346 -1.682 -0.129) 1.722 4.513 ( -1.734 -2.840 1.953) 3.858 4.636 ( -2.476 5.478 -1.145) 6.119 8.443 ( 0.030 0.500 1.438) 1.523 8.484 ( -0.365 0.191 -0.157) 0.441 8.689 ( 0.126 -2.483 -0.318) 2.506 8.747 ( 0.386 2.324 -0.512) 2.411 8.799 ( 0.354 -0.523 -0.383) 0.738 10.206 ( 5.278 -4.514 10.295) 12.419 10.246 ( -0.671 -1.486 0.769) 1.803 10.276 ( 0.408 0.596 -0.239) 0.761 10.314 ( 0.684 1.681 0.529) 1.891 10.345 ( 3.259 -2.076 6.120) 7.238 ======================= Grid point 46 (20/89) ======================= q-point: ( 0.17 0.17 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.287 ( 1.630 -0.000 7.534) 7.709 0.422 ( 2.899 -0.000 2.642) 3.923 0.602 ( -0.999 0.000 1.527) 1.824 0.627 ( 4.100 -0.000 2.141) 4.625 0.701 ( 1.480 -0.000 -0.498) 1.562 0.734 ( 1.762 -0.000 -0.347) 1.796 0.832 ( -2.406 0.000 0.726) 2.513 0.848 ( -0.256 0.000 -0.135) 0.290 0.942 ( 8.647 -0.000 5.795) 10.409 0.991 ( -0.577 0.000 1.775) 1.866 1.055 ( -0.378 0.000 -1.012) 1.080 1.179 ( 1.266 -0.000 1.766) 2.172 1.199 ( -5.666 0.000 -0.581) 5.696 1.259 ( -4.024 0.000 -1.521) 4.302 1.308 ( -1.462 0.000 -0.264) 1.486 1.501 ( 1.984 -0.000 -2.643) 3.305 1.671 ( -6.329 0.000 5.382) 8.308 1.752 ( 1.927 -0.000 4.383) 4.788 1.825 ( 0.267 -0.000 -0.702) 0.751 2.006 ( -8.161 0.000 -1.747) 8.345 2.013 ( 1.312 -0.000 -3.532) 3.768 2.108 ( -1.901 0.000 -6.564) 6.834 2.246 ( 5.402 -0.000 1.137) 5.520 2.376 ( -3.171 0.000 -3.904) 5.030 2.436 ( 1.938 -0.000 -1.243) 2.302 2.499 ( 2.647 -0.000 -2.464) 3.616 2.506 ( 7.385 -0.000 1.688) 7.576 2.579 ( 3.442 -0.000 -4.831) 5.932 2.768 ( 4.377 -0.000 -0.679) 4.430 2.775 ( -0.008 0.000 -0.102) 0.102 2.985 ( 14.196 -0.000 -11.963) 18.565 3.074 ( 7.435 -0.000 -1.813) 7.653 3.321 ( 1.744 -0.000 1.934) 2.604 3.519 ( -2.524 0.000 -2.698) 3.695 3.779 ( 2.573 -0.000 5.630) 6.190 3.999 ( -3.376 0.000 -3.204) 4.654 4.120 ( -3.483 0.000 1.934) 3.984 4.304 ( -2.838 0.000 1.947) 3.441 4.364 ( -0.903 0.000 1.541) 1.786 4.528 ( 0.950 -0.000 1.644) 1.898 4.608 ( 5.409 -0.000 0.277) 5.416 8.472 ( -0.785 0.000 0.521) 0.942 8.507 ( 0.096 -0.000 3.023) 3.025 8.658 ( -1.876 0.000 -1.248) 2.253 8.732 ( 0.960 -0.000 -0.921) 1.330 8.808 ( 0.739 -0.000 -0.591) 0.946 10.154 ( -1.846 0.000 -1.573) 2.425 10.235 ( -0.848 0.000 -0.571) 1.023 10.250 ( 0.164 -0.000 -1.027) 1.040 10.369 ( 0.373 -0.000 0.614) 0.718 10.451 ( -5.255 0.000 3.732) 6.445 ======================= Grid point 47 (21/89) ======================= q-point: ( 0.33 0.17 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.366 ( 1.683 0.168 5.923) 6.159 0.436 ( 0.546 2.722 0.887) 2.914 0.598 ( -0.228 1.895 1.354) 2.341 0.697 ( -0.618 2.191 0.067) 2.277 0.725 ( 3.852 -1.801 1.802) 4.618 0.763 ( -2.117 -2.393 -0.901) 3.320 0.802 ( 1.302 -2.167 1.297) 2.841 0.849 ( 0.210 -0.324 0.315) 0.498 0.945 ( -3.211 -0.155 -0.669) 3.283 1.022 ( -4.220 0.873 -2.393) 4.929 1.120 ( -1.879 -1.092 -0.272) 2.190 1.150 ( -0.821 -0.227 -0.072) 0.855 1.172 ( 5.864 0.200 4.339) 7.297 1.230 ( -1.398 0.128 2.349) 2.736 1.308 ( 2.656 0.927 -0.115) 2.816 1.498 ( 0.614 0.271 -1.303) 1.466 1.626 ( -5.180 -0.224 3.803) 6.430 1.768 ( -3.216 1.351 1.758) 3.906 1.824 ( -2.343 -2.646 0.260) 3.544 1.909 ( -0.401 -0.610 0.104) 0.737 1.996 ( -3.791 -0.811 -4.151) 5.680 2.071 ( 0.017 -5.933 -4.529) 7.464 2.217 ( 2.158 7.266 -3.283) 8.261 2.374 ( 2.298 -1.877 -1.267) 3.227 2.453 ( 1.361 3.964 -1.200) 4.360 2.513 ( 0.945 -1.175 0.990) 1.804 2.595 ( 5.362 0.968 -2.274) 5.904 2.640 ( 5.170 -1.714 -0.898) 5.520 2.810 ( 1.326 0.428 1.175) 1.823 2.812 ( 5.047 0.991 4.286) 6.695 3.047 ( 1.832 -2.903 -4.292) 5.496 3.230 ( 13.682 -2.210 -7.323) 15.675 3.324 ( 1.877 3.497 -3.045) 5.002 3.478 ( -3.499 -4.236 -1.971) 5.837 3.784 ( 0.375 6.815 1.840) 7.069 3.981 ( -2.334 -5.707 0.299) 6.173 4.088 ( -4.189 -2.722 0.230) 5.001 4.255 ( -4.593 -0.059 1.185) 4.744 4.371 ( 0.544 1.079 1.300) 1.775 4.540 ( 1.481 2.599 1.473) 3.334 4.698 ( 4.420 -1.018 0.612) 4.577 8.464 ( -0.364 0.582 0.773) 1.034 8.529 ( -0.384 -0.106 2.169) 2.206 8.619 ( -1.445 -0.028 -1.190) 1.872 8.744 ( 0.876 -0.857 -0.994) 1.578 8.812 ( 0.717 0.557 -0.362) 0.978 10.120 ( -1.494 0.065 -0.801) 1.696 10.215 ( -0.982 0.146 -0.153) 1.005 10.249 ( 0.069 -0.615 -0.762) 0.982 10.371 ( -0.194 0.404 0.276) 0.526 10.410 ( -2.786 1.302 2.748) 4.124 ======================= Grid point 48 (22/89) ======================= q-point: (-0.50 0.17 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.393 ( 0.977 4.462 2.146) 5.047 0.429 ( -1.042 2.847 5.964) 6.690 0.564 ( -0.390 2.982 -0.695) 3.086 0.631 ( -1.903 3.094 -0.627) 3.686 0.744 ( -2.721 -1.057 -0.102) 2.920 0.815 ( 0.197 -1.543 0.583) 1.661 0.830 ( -3.752 1.586 -0.858) 4.163 0.878 ( 1.412 -0.727 -0.549) 1.681 0.887 ( -0.110 -1.831 1.353) 2.279 0.933 ( -1.489 -0.776 -1.865) 2.509 1.089 ( -1.870 0.084 -1.512) 2.406 1.134 ( -3.256 2.821 3.506) 5.554 1.188 ( 1.615 -2.192 0.619) 2.793 1.333 ( 2.979 -1.390 2.483) 4.120 1.346 ( 3.867 0.724 0.302) 3.946 1.515 ( 2.253 0.067 0.824) 2.400 1.570 ( -4.720 0.288 0.214) 4.734 1.717 ( -4.958 -3.020 1.762) 6.067 1.838 ( -1.090 -1.589 2.401) 3.079 1.897 ( -3.482 -1.281 -4.104) 5.533 1.970 ( 1.824 -2.543 -0.239) 3.138 2.094 ( -0.356 -0.866 -1.521) 1.786 2.190 ( 4.814 1.336 -2.454) 5.566 2.383 ( -0.140 6.525 -1.069) 6.614 2.426 ( 3.852 -1.549 -1.469) 4.404 2.556 ( 0.362 -3.036 1.220) 3.292 2.627 ( 3.365 1.699 -2.372) 4.454 2.717 ( 4.178 -0.329 -0.196) 4.195 2.816 ( 1.005 2.924 1.044) 3.263 2.930 ( 6.768 2.901 5.542) 9.216 3.072 ( 0.230 -4.551 -2.671) 5.282 3.199 ( -2.963 7.259 -1.977) 8.086 3.408 ( 6.865 -4.262 -9.185) 12.234 3.475 ( 0.956 -3.535 -1.275) 3.878 3.730 ( 0.344 3.088 -0.939) 3.246 3.984 ( -2.582 -0.396 -2.827) 3.849 4.092 ( -3.275 -7.707 0.319) 8.380 4.208 ( -4.046 -2.217 0.138) 4.616 4.368 ( 0.149 2.121 1.442) 2.569 4.536 ( 1.439 3.549 1.311) 4.048 4.753 ( 2.267 1.001 0.546) 2.538 8.460 ( -0.033 0.835 1.163) 1.432 8.522 ( -1.026 0.887 0.264) 1.382 8.611 ( -0.414 -1.737 -0.356) 1.821 8.760 ( 0.772 -0.948 -0.812) 1.468 8.809 ( 0.544 1.096 -0.153) 1.233 10.100 ( -0.883 0.316 1.352) 1.646 10.206 ( -0.832 -0.748 0.456) 1.208 10.255 ( 0.207 -0.669 -0.167) 0.720 10.359 ( -0.546 0.835 -0.009) 0.998 10.379 ( -1.291 1.530 1.066) 2.268 ======================= Grid point 49 (23/89) ======================= q-point: (-0.33 0.17 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.351 ( -0.520 6.692 4.132) 7.882 0.396 ( -0.844 6.583 5.629) 8.703 0.514 ( -1.701 4.523 -2.268) 5.338 0.572 ( -0.831 4.633 0.735) 4.764 0.635 ( -5.353 3.615 1.697) 6.679 0.740 ( -2.395 -0.854 -0.218) 2.552 0.853 ( 0.351 0.292 -0.506) 0.681 0.900 ( -0.488 -1.917 -2.034) 2.837 0.921 ( 2.113 -1.177 1.661) 2.934 0.969 ( 2.099 -1.726 0.821) 2.839 1.022 ( -2.552 3.372 0.496) 4.258 1.133 ( 1.239 -1.331 -0.152) 1.825 1.259 ( 0.975 -4.135 2.172) 4.772 1.367 ( -0.621 -1.068 1.129) 1.674 1.399 ( 2.473 -1.489 -0.538) 2.936 1.491 ( -4.699 0.635 0.272) 4.749 1.559 ( 3.578 1.336 -0.616) 3.868 1.719 ( -2.768 -2.182 3.932) 5.281 1.832 ( -4.335 -1.895 0.451) 4.753 1.881 ( 1.498 -2.116 -0.036) 2.593 2.016 ( 1.835 -2.415 -2.802) 4.129 2.099 ( 3.344 2.256 -0.108) 4.036 2.229 ( 1.834 0.018 -1.912) 2.649 2.315 ( 1.133 3.754 0.533) 3.957 2.489 ( 2.625 -1.040 -0.761) 2.925 2.607 ( -0.395 2.378 0.507) 2.463 2.611 ( 0.577 -4.030 -2.158) 4.607 2.746 ( 1.251 3.640 0.001) 3.849 2.801 ( 1.184 1.064 -0.440) 1.652 2.970 ( 0.680 7.115 1.224) 7.251 3.042 ( -2.627 5.083 -3.709) 6.819 3.132 ( 0.897 -4.839 -0.577) 4.955 3.402 ( 1.337 -0.791 -6.507) 6.690 3.567 ( 5.030 0.060 -5.691) 7.595 3.617 ( -5.103 5.413 -10.538) 12.899 3.945 ( 1.941 -2.383 -2.982) 4.282 4.150 ( -2.265 -6.618 2.311) 7.367 4.199 ( -1.895 -4.383 -0.989) 4.877 4.346 ( -0.790 3.075 1.484) 3.504 4.525 ( 0.940 2.885 1.669) 3.463 4.742 ( -0.278 3.497 -0.700) 3.577 8.461 ( -0.006 0.939 1.655) 1.902 8.495 ( -0.713 0.799 -0.536) 1.197 8.632 ( -0.003 -2.366 -0.225) 2.376 8.775 ( 0.652 -0.648 -0.716) 1.165 8.799 ( 0.222 1.325 -0.112) 1.348 10.130 ( 0.718 -1.580 6.562) 6.788 10.212 ( -0.579 -1.224 0.404) 1.413 10.270 ( 0.493 -0.743 0.850) 1.232 10.338 ( -0.771 0.640 -0.235) 1.030 10.354 ( -0.272 1.537 0.248) 1.581 ======================= Grid point 50 (24/89) ======================= q-point: (-0.17 0.17 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.292 ( -4.564 8.413 3.219) 10.098 0.326 ( -3.146 4.132 8.080) 9.605 0.446 ( 8.220 9.248 4.881) 13.301 0.535 ( 1.594 2.301 3.713) 4.650 0.613 ( -0.196 1.019 3.260) 3.421 0.723 ( -0.363 -0.137 -0.721) 0.819 0.845 ( -0.836 0.156 -2.521) 2.660 0.876 ( -1.045 1.276 -1.821) 2.456 0.947 ( -1.711 -0.412 -0.780) 1.925 0.979 ( 0.009 0.386 2.170) 2.204 1.034 ( 2.731 -1.447 1.841) 3.597 1.159 ( 1.693 -0.227 -3.463) 3.862 1.306 ( -5.484 -3.000 2.843) 6.867 1.372 ( -1.433 -2.288 -0.999) 2.879 1.423 ( -0.768 -0.714 -1.946) 2.210 1.462 ( 1.840 0.027 0.655) 1.953 1.584 ( 1.965 0.574 1.330) 2.442 1.738 ( -1.681 0.461 5.697) 5.958 1.818 ( 1.497 -0.682 1.234) 2.056 1.934 ( -0.153 -3.148 -0.113) 3.153 2.044 ( 0.611 -3.062 -2.663) 4.104 2.099 ( 3.358 4.875 -4.352) 7.348 2.225 ( 2.589 1.703 1.361) 3.385 2.329 ( -0.692 -0.736 1.017) 1.433 2.476 ( -1.516 2.693 -2.932) 4.260 2.567 ( 1.062 0.590 -2.643) 2.909 2.640 ( 0.437 1.175 -1.798) 2.192 2.681 ( -0.627 5.682 -4.040) 7.000 2.741 ( -1.457 9.536 -8.292) 12.720 2.852 ( -1.166 0.876 -0.676) 1.607 2.968 ( 1.972 7.590 -8.089) 11.266 3.078 ( 1.780 13.605 -12.798) 18.763 3.239 ( 0.780 2.377 -2.905) 3.833 3.504 ( 3.863 -3.412 -0.365) 5.167 3.619 ( 0.267 0.459 2.081) 2.148 4.021 ( 2.800 -3.240 -0.045) 4.283 4.207 ( -1.092 -3.155 2.324) 4.068 4.238 ( 1.380 -3.673 -1.215) 4.108 4.302 ( -2.334 0.405 1.241) 2.674 4.523 ( -0.031 1.241 1.613) 2.035 4.655 ( -1.894 6.301 -1.009) 6.656 8.460 ( -0.302 0.377 1.160) 1.256 8.487 ( 0.068 0.376 1.132) 1.195 8.658 ( -0.061 -2.374 -0.307) 2.395 8.770 ( 0.144 1.753 -0.770) 1.920 8.793 ( 0.242 -0.439 -0.462) 0.681 10.211 ( -1.228 -2.008 1.082) 2.590 10.230 ( 0.486 -1.609 0.456) 1.742 10.283 ( -0.303 0.563 -0.315) 0.713 10.343 ( 0.492 0.784 0.442) 1.026 10.383 ( 0.519 -7.195 7.214) 10.203 ======================= Grid point 53 (25/89) ======================= q-point: (-0.67 0.33 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.433 ( 0.922 -0.000 4.869) 4.956 0.500 ( 3.962 -0.000 2.508) 4.689 0.613 ( -0.294 0.000 -0.176) 0.343 0.661 ( -3.954 0.000 -1.473) 4.220 0.743 ( -0.440 0.000 1.262) 1.337 0.753 ( -0.159 0.000 0.337) 0.373 0.836 ( 3.284 -0.000 3.232) 4.608 0.847 ( -2.176 0.000 0.696) 2.284 0.886 ( -2.725 0.000 -2.012) 3.387 0.933 ( -3.922 0.000 -3.266) 5.104 1.077 ( -1.103 0.000 -0.467) 1.198 1.136 ( -0.221 0.000 1.668) 1.683 1.212 ( -1.990 0.000 1.001) 2.227 1.316 ( 3.888 -0.000 2.529) 4.638 1.353 ( 2.921 -0.000 -0.649) 2.992 1.515 ( 2.221 -0.000 2.345) 3.230 1.583 ( -4.172 0.000 2.223) 4.728 1.659 ( -6.519 0.000 -2.127) 6.857 1.824 ( -1.803 0.000 4.262) 4.628 1.901 ( -2.277 0.000 -4.795) 5.308 1.915 ( 1.257 -0.000 -0.061) 1.258 2.041 ( 1.409 -0.000 -0.698) 1.573 2.307 ( 5.252 -0.000 -2.925) 6.012 2.360 ( 2.549 -0.000 0.224) 2.559 2.451 ( -2.436 0.000 -2.310) 3.358 2.520 ( 0.240 -0.000 -0.077) 0.252 2.685 ( 4.926 -0.000 -2.289) 5.432 2.688 ( 5.581 -0.000 -1.444) 5.765 2.858 ( 3.026 -0.000 1.867) 3.555 2.967 ( 8.102 -0.000 6.865) 10.619 3.013 ( -0.159 0.000 -3.464) 3.468 3.336 ( 6.085 -0.000 -10.151) 11.835 3.336 ( -3.953 0.000 -5.558) 6.821 3.389 ( 5.143 -0.000 3.108) 6.010 3.862 ( -2.057 0.000 -1.025) 2.298 3.885 ( -0.027 0.000 2.537) 2.537 4.006 ( -4.166 0.000 -2.943) 5.101 4.171 ( -6.908 0.000 0.876) 6.963 4.396 ( 0.505 -0.000 1.161) 1.266 4.585 ( 0.798 -0.000 1.533) 1.728 4.762 ( 4.149 -0.000 -0.131) 4.151 8.473 ( -0.076 0.000 1.316) 1.318 8.535 ( -0.638 0.000 0.981) 1.170 8.588 ( -1.108 0.000 -1.164) 1.607 8.747 ( 0.968 -0.000 -0.747) 1.223 8.822 ( 0.572 -0.000 -0.194) 0.604 10.104 ( -0.888 0.000 1.027) 1.358 10.197 ( -1.137 0.000 0.219) 1.158 10.246 ( 0.338 -0.000 -0.063) 0.344 10.369 ( -0.527 0.000 -0.250) 0.583 10.399 ( -1.791 0.000 1.266) 2.193 ======================= Grid point 55 (26/89) ======================= q-point: (-0.50 0.33 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.453 ( -1.411 2.634 4.533) 5.429 0.552 ( 3.231 5.470 2.528) 6.838 0.587 ( -0.110 2.061 -0.432) 2.108 0.631 ( 0.571 -0.273 0.326) 0.712 0.712 ( -3.061 2.193 -0.382) 3.785 0.722 ( -4.393 -0.309 -1.148) 4.551 0.809 ( -2.155 -3.883 0.319) 4.452 0.854 ( 0.199 -0.285 -1.681) 1.717 0.908 ( 1.943 -0.968 2.393) 3.231 0.918 ( 0.662 -1.086 0.673) 1.439 1.080 ( 1.263 0.024 0.164) 1.273 1.140 ( -2.777 1.474 3.299) 4.557 1.191 ( 0.465 -0.263 -0.042) 0.536 1.337 ( -2.321 -1.815 0.716) 3.032 1.382 ( 2.009 0.137 -0.903) 2.207 1.523 ( -3.352 1.878 0.545) 3.880 1.575 ( 1.910 0.404 -0.379) 1.988 1.626 ( -0.513 -4.168 2.552) 4.914 1.807 ( -3.481 -0.338 2.060) 4.059 1.874 ( 1.019 0.548 0.209) 1.176 1.937 ( 0.345 -3.040 -2.471) 3.933 2.079 ( 1.268 -1.608 2.669) 3.364 2.320 ( 4.618 6.276 -0.652) 7.819 2.384 ( -0.152 0.420 -2.587) 2.625 2.469 ( 2.950 -2.760 1.407) 4.278 2.507 ( -0.942 -1.495 -0.491) 1.834 2.699 ( 2.976 3.615 -3.076) 5.603 2.749 ( 2.603 -0.894 -1.455) 3.113 2.899 ( 2.407 3.373 0.324) 4.156 2.999 ( -0.371 -3.692 -1.922) 4.179 3.110 ( 6.587 3.936 4.351) 8.821 3.166 ( -7.356 3.801 -5.024) 9.685 3.335 ( 1.277 -3.664 -6.976) 7.982 3.541 ( 8.778 -1.080 1.820) 9.030 3.771 ( 0.044 7.423 -4.304) 8.581 3.919 ( -1.998 -0.063 -4.246) 4.693 3.967 ( -1.021 -8.486 1.027) 8.609 4.093 ( -6.415 -3.229 0.583) 7.206 4.401 ( -0.032 1.273 1.208) 1.755 4.591 ( 0.155 1.808 1.035) 2.089 4.798 ( 1.785 1.204 -0.686) 2.260 8.481 ( -0.105 0.536 1.707) 1.792 8.518 ( -0.880 0.955 -0.486) 1.386 8.583 ( -0.058 -1.523 -0.217) 1.539 8.758 ( 0.736 -0.503 -0.610) 1.080 8.824 ( 0.255 0.570 -0.246) 0.671 10.113 ( -0.220 -0.255 3.222) 3.239 10.192 ( -0.519 -0.446 0.808) 1.059 10.257 ( 0.417 -0.325 0.845) 0.996 10.351 ( -0.951 0.327 -1.061) 1.463 10.380 ( -0.867 0.632 0.108) 1.078 ======================= Grid point 56 (27/89) ======================= q-point: (-0.33 0.33 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.418 ( -2.437 4.166 5.508) 7.324 0.484 ( -3.152 7.193 0.290) 7.859 0.574 ( 1.222 1.847 0.556) 2.283 0.614 ( -0.394 2.957 0.324) 3.001 0.673 ( 3.367 3.007 3.363) 5.629 0.715 ( 0.758 -0.350 0.277) 0.879 0.821 ( -1.703 -2.781 -2.053) 3.853 0.870 ( 1.295 -1.045 -0.141) 1.670 0.930 ( -0.577 -0.318 0.315) 0.730 0.970 ( 1.137 -2.148 2.358) 3.386 1.063 ( -0.969 4.668 1.765) 5.084 1.127 ( 0.127 -1.639 0.923) 1.885 1.225 ( -1.136 -3.112 1.770) 3.756 1.328 ( -2.420 -2.014 -0.558) 3.198 1.398 ( 1.369 -0.593 -1.295) 1.976 1.466 ( -2.655 0.215 -1.017) 2.851 1.590 ( 1.702 -0.078 0.972) 1.961 1.708 ( 0.592 -3.183 3.960) 5.115 1.787 ( -2.012 -0.831 2.111) 3.032 1.900 ( 2.405 0.250 1.420) 2.805 1.962 ( -0.424 -4.074 -2.553) 4.827 2.141 ( 1.759 -0.840 2.747) 3.368 2.278 ( -1.256 2.410 -1.579) 3.143 2.368 ( 2.496 4.925 0.265) 5.527 2.496 ( 0.599 -1.840 -0.061) 1.936 2.577 ( 2.433 -2.506 -1.038) 3.643 2.633 ( -1.780 4.539 -1.837) 5.210 2.757 ( -0.413 0.016 -2.528) 2.562 2.854 ( -0.484 4.618 -0.829) 4.717 2.946 ( -8.025 4.175 -6.402) 11.082 3.061 ( 2.068 -2.366 0.357) 3.162 3.123 ( 2.731 3.889 -3.506) 5.905 3.403 ( 4.175 -4.575 -0.056) 6.194 3.562 ( 2.704 12.807 -17.547) 21.891 3.656 ( 2.143 2.936 4.431) 5.731 3.943 ( 4.278 -3.763 -0.886) 5.766 4.055 ( -4.131 -6.387 4.706) 8.945 4.092 ( 0.053 -7.903 -1.768) 8.098 4.380 ( -0.903 2.861 0.814) 3.109 4.569 ( -0.656 2.236 0.842) 2.477 4.772 ( -0.528 3.434 -0.912) 3.592 8.475 ( -0.783 0.856 0.269) 1.191 8.500 ( -0.074 0.502 0.946) 1.073 8.608 ( 0.387 -1.733 0.405) 1.821 8.769 ( 0.491 -0.783 -0.729) 1.177 8.812 ( -0.092 1.082 -0.528) 1.207 10.156 ( -0.067 -1.777 4.325) 4.677 10.203 ( 0.189 -0.722 0.765) 1.068 10.278 ( 0.284 -0.606 1.662) 1.792 10.323 ( -1.271 -0.128 -0.547) 1.389 10.363 ( -0.095 0.718 -0.542) 0.905 ======================= Grid point 57 (28/89) ======================= q-point: (-0.17 0.33 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.341 ( -3.675 6.838 5.822) 9.703 0.401 ( -0.771 3.732 2.623) 4.626 0.570 ( -1.198 -0.459 1.054) 1.660 0.617 ( 3.179 2.437 2.287) 4.613 0.728 ( 2.680 0.441 1.081) 2.924 0.749 ( 4.975 2.707 1.489) 5.856 0.790 ( -0.584 0.126 -1.911) 2.002 0.894 ( 0.580 0.171 0.013) 0.605 0.915 ( -0.946 0.842 1.100) 1.678 1.001 ( -0.468 1.863 2.790) 3.388 1.067 ( 2.485 -1.924 1.641) 3.546 1.155 ( 0.833 -0.878 -0.664) 1.380 1.204 ( -6.685 -0.922 1.428) 6.898 1.311 ( -1.706 -2.188 -1.670) 3.238 1.385 ( -4.733 0.078 -0.540) 4.764 1.451 ( 1.621 -2.511 -2.459) 3.870 1.646 ( 3.099 0.111 3.210) 4.464 1.730 ( -4.530 0.549 5.734) 7.328 1.844 ( 3.081 -5.507 -0.804) 6.361 1.926 ( -0.541 2.796 0.304) 2.864 2.002 ( 3.589 -4.584 1.237) 5.952 2.166 ( 2.798 3.350 -4.345) 6.159 2.240 ( -2.865 -2.014 2.086) 4.076 2.343 ( 0.961 3.519 1.967) 4.145 2.481 ( -2.970 6.949 -4.934) 9.025 2.541 ( -0.751 -3.146 1.306) 3.488 2.605 ( -0.932 -0.030 -5.007) 5.093 2.693 ( -2.537 4.768 -2.266) 5.857 2.737 ( -2.596 1.535 -3.246) 4.431 2.827 ( -0.798 1.110 -1.753) 2.223 3.087 ( 5.902 5.664 -2.149) 8.458 3.121 ( 2.733 -1.630 -5.051) 5.970 3.328 ( 7.232 11.896 -14.917) 20.404 3.536 ( 5.385 -2.893 2.330) 6.542 3.649 ( -1.191 3.079 1.896) 3.808 4.030 ( 0.272 -1.421 2.583) 2.961 4.131 ( 0.495 -8.275 2.169) 8.569 4.207 ( 2.965 -7.097 0.051) 7.691 4.315 ( -2.024 4.983 -0.071) 5.379 4.535 ( -1.832 1.727 0.914) 2.678 4.705 ( -0.636 4.767 -0.008) 4.809 8.459 ( -0.585 0.074 0.101) 0.598 8.508 ( -0.146 0.298 1.993) 2.020 8.633 ( 0.053 -1.304 0.268) 1.332 8.779 ( 0.520 -0.380 -0.726) 0.971 8.790 ( -0.200 0.985 -0.924) 1.365 10.186 ( -1.153 -0.627 0.858) 1.568 10.215 ( 0.089 -0.857 -1.264) 1.530 10.282 ( -0.383 0.426 0.080) 0.578 10.350 ( -1.556 -4.039 4.548) 6.278 10.356 ( 0.307 0.037 0.085) 0.321 ======================= Grid point 61 (29/89) ======================= q-point: ( 0.50 -0.50 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.487 ( -1.681 0.000 4.512) 4.815 0.588 ( -0.332 0.000 -0.998) 1.052 0.593 ( 0.407 -0.000 -0.771) 0.872 0.629 ( -5.066 0.000 -0.746) 5.121 0.712 ( 0.411 0.000 -0.421) 0.588 0.723 ( 5.601 0.000 2.664) 6.203 0.756 ( -1.659 0.000 0.931) 1.902 0.854 ( 1.186 0.000 -0.635) 1.346 0.931 ( -0.316 -0.000 2.861) 2.878 0.934 ( 1.209 0.000 1.534) 1.954 1.105 ( -0.095 0.000 1.780) 1.782 1.141 ( -2.237 0.000 3.081) 3.807 1.197 ( 0.552 0.000 -0.033) 0.553 1.280 ( -1.872 0.000 -0.292) 1.894 1.396 ( 0.859 0.000 -1.145) 1.431 1.469 ( -4.824 0.000 -3.393) 5.898 1.587 ( 2.043 0.000 2.212) 3.011 1.660 ( 1.841 0.000 3.414) 3.878 1.781 ( -2.606 0.000 2.711) 3.760 1.889 ( -0.552 0.000 -3.062) 3.112 1.919 ( 3.074 0.000 2.649) 4.058 2.123 ( 1.221 0.000 4.430) 4.595 2.321 ( -2.206 0.000 -3.986) 4.556 2.448 ( 3.554 0.000 -0.075) 3.554 2.479 ( -1.440 0.000 -0.779) 1.637 2.509 ( 3.361 0.000 4.935) 5.971 2.726 ( 1.350 0.000 -4.703) 4.893 2.746 ( -0.569 0.000 -3.000) 3.054 2.898 ( -2.259 0.000 -2.677) 3.503 2.994 ( 2.436 0.000 -0.003) 2.436 3.014 ( -9.436 0.000 -6.508) 11.462 3.266 ( 1.581 0.000 -5.779) 5.991 3.275 ( 5.973 0.000 3.147) 6.751 3.693 ( 8.233 0.000 4.334) 9.304 3.805 ( 0.943 -0.000 -10.245) 10.289 3.885 ( -2.128 0.000 0.110) 2.131 3.885 ( 3.756 -0.000 -2.219) 4.363 3.996 ( -5.305 0.000 3.924) 6.599 4.413 ( -0.628 0.000 0.996) 1.177 4.600 ( -0.945 0.000 0.394) 1.024 4.812 ( -0.132 0.000 -0.792) 0.803 8.491 ( -0.528 0.000 1.425) 1.520 8.503 ( -1.038 0.000 -1.204) 1.589 8.586 ( 1.069 0.000 1.360) 1.730 8.758 ( 0.439 0.000 -0.787) 0.902 8.825 ( -0.073 0.000 -0.523) 0.528 10.136 ( 0.039 0.000 3.796) 3.796 10.194 ( 0.158 0.000 0.850) 0.865 10.271 ( 0.348 0.000 1.710) 1.745 10.324 ( -1.421 0.000 -1.745) 2.250 10.372 ( -0.342 0.000 -0.777) 0.849 ======================= Grid point 63 (30/89) ======================= q-point: (-0.33 0.50 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.463 ( -3.184 3.034 3.913) 5.886 0.523 ( -2.538 5.582 1.277) 6.263 0.568 ( -1.616 -0.118 -1.698) 2.347 0.637 ( 2.397 -1.265 -0.240) 2.721 0.724 ( 1.643 0.059 1.635) 2.319 0.758 ( -1.109 -1.692 -0.556) 2.098 0.796 ( 3.431 0.624 0.858) 3.591 0.871 ( -0.212 -0.901 0.776) 1.208 0.940 ( 0.171 0.994 2.421) 2.622 0.992 ( 2.130 -1.925 2.779) 3.996 1.094 ( -2.348 0.379 1.933) 3.065 1.122 ( -0.807 1.309 2.034) 2.550 1.205 ( -0.350 0.145 1.027) 1.095 1.271 ( -2.437 -0.872 -2.663) 3.714 1.370 ( -4.029 -1.416 -3.388) 5.451 1.397 ( 0.751 -1.036 -0.922) 1.577 1.659 ( 4.191 0.820 3.221) 5.349 1.717 ( 0.084 -1.731 5.094) 5.381 1.767 ( -1.653 -0.644 1.338) 2.222 1.881 ( -0.358 -3.342 -2.193) 4.014 1.998 ( 4.718 1.842 3.983) 6.443 2.166 ( -0.202 -1.644 2.684) 3.155 2.250 ( -1.746 2.059 -2.928) 3.982 2.453 ( -1.695 0.311 0.714) 1.865 2.478 ( 2.135 1.216 0.202) 2.466 2.582 ( -0.612 -1.111 0.533) 1.376 2.638 ( -0.771 5.699 -4.777) 7.476 2.718 ( -1.103 -1.380 -1.737) 2.477 2.806 ( -8.438 2.879 -6.807) 11.217 2.857 ( -1.451 0.341 -1.379) 2.031 3.026 ( 0.876 -3.455 -3.043) 4.687 3.226 ( 3.372 5.789 -0.810) 6.748 3.393 ( 3.864 -3.981 -2.234) 5.981 3.673 ( 5.414 10.415 -9.086) 14.844 3.773 ( 0.742 7.489 3.161) 8.162 3.918 ( 2.267 -9.232 -0.244) 9.510 3.986 ( -0.145 -5.144 2.270) 5.625 4.024 ( 3.198 -4.998 2.393) 6.398 4.396 ( -1.414 1.690 0.760) 2.330 4.574 ( -1.688 1.160 0.060) 2.049 4.782 ( -1.907 1.674 -0.259) 2.551 8.471 ( -0.854 0.823 -0.737) 1.396 8.500 ( -0.621 -0.811 0.976) 1.413 8.620 ( 1.173 -0.034 2.057) 2.368 8.759 ( 0.214 -0.649 -1.028) 1.235 8.814 ( -0.199 0.589 -0.869) 1.069 10.171 ( -0.052 -0.465 3.465) 3.497 10.201 ( 0.257 -0.313 -1.249) 1.313 10.287 ( -0.476 0.123 0.634) 0.802 10.297 ( -0.921 -0.911 1.149) 1.731 10.360 ( -0.032 0.142 -1.210) 1.219 ======================= Grid point 64 (31/89) ======================= q-point: (-0.17 -0.50 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.403 ( -3.003 3.277 2.963) 5.342 0.440 ( -2.630 4.523 2.549) 5.820 0.533 ( -1.951 -1.039 -0.487) 2.263 0.673 ( 1.223 -0.019 -0.529) 1.333 0.743 ( -0.165 0.639 -0.850) 1.076 0.785 ( 2.368 -1.371 2.356) 3.610 0.824 ( 0.295 -0.227 0.358) 0.517 0.870 ( -1.308 -0.060 -0.071) 1.311 0.963 ( 1.110 0.272 2.176) 2.458 1.048 ( -1.972 -1.770 2.065) 3.359 1.098 ( 3.290 2.179 0.952) 4.060 1.116 ( -3.171 -1.352 -1.849) 3.911 1.143 ( -2.926 -1.869 0.368) 3.492 1.259 ( -0.203 -1.564 1.447) 2.140 1.303 ( -3.043 2.156 -1.157) 3.905 1.446 ( 2.748 -2.453 -0.984) 3.813 1.700 ( 0.565 0.977 -0.041) 1.130 1.724 ( -4.214 0.961 7.221) 8.416 1.832 ( 4.100 -2.979 0.383) 5.082 1.900 ( -1.142 -2.576 -1.337) 3.119 2.066 ( 3.384 -0.881 2.124) 4.091 2.167 ( -0.082 1.822 -3.227) 3.707 2.242 ( 1.586 0.125 1.929) 2.501 2.383 ( -4.440 2.760 1.747) 5.512 2.454 ( -4.579 6.616 -5.738) 9.882 2.500 ( 0.181 -1.707 -3.026) 3.479 2.593 ( 0.698 2.016 -0.956) 2.338 2.674 ( 1.353 0.246 -2.875) 3.187 2.725 ( -0.386 0.359 2.216) 2.278 2.818 ( -1.166 1.004 -1.111) 1.898 3.064 ( 0.251 -5.764 -3.056) 6.529 3.206 ( 2.554 5.259 0.097) 5.847 3.420 ( 6.665 3.391 -10.247) 12.686 3.618 ( 3.114 2.862 -2.129) 4.735 3.701 ( 0.359 6.773 0.950) 6.849 4.014 ( -2.060 -3.602 4.588) 6.186 4.104 ( 4.814 -5.555 1.280) 7.461 4.168 ( 3.642 -7.371 0.079) 8.222 4.342 ( -1.999 3.997 0.782) 4.537 4.529 ( -2.331 1.682 0.425) 2.905 4.730 ( -1.918 1.801 0.651) 2.710 8.451 ( -0.574 0.097 -0.273) 0.643 8.510 ( -0.654 -0.882 1.349) 1.739 8.642 ( 0.511 0.845 1.293) 1.627 8.767 ( 0.340 -1.373 -0.837) 1.643 8.794 ( -0.035 1.109 -1.109) 1.568 10.164 ( -1.251 0.452 -2.768) 3.071 10.205 ( 0.238 -0.438 0.954) 1.076 10.284 ( -0.302 0.268 0.480) 0.627 10.322 ( -1.282 -2.257 2.999) 3.967 10.354 ( 0.086 -0.507 -0.561) 0.761 ======================= Grid point 69 (32/89) ======================= q-point: (-0.33 -0.33 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.450 ( -4.429 0.000 3.532) 5.665 0.499 ( -4.666 0.000 -3.148) 5.629 0.542 ( -1.051 0.000 0.446) 1.142 0.670 ( 3.113 -0.000 -1.970) 3.684 0.745 ( -0.408 0.000 1.817) 1.862 0.747 ( -0.320 0.000 1.792) 1.821 0.830 ( 1.276 -0.000 0.269) 1.304 0.855 ( -2.952 0.000 3.027) 4.228 0.974 ( 0.417 -0.000 2.290) 2.328 1.018 ( 0.805 -0.000 1.151) 1.405 1.088 ( -1.833 0.000 -0.794) 1.998 1.115 ( -8.328 0.000 -2.446) 8.679 1.133 ( -0.580 0.000 -0.900) 1.071 1.237 ( 2.410 -0.000 2.739) 3.648 1.370 ( 4.135 -0.000 -1.863) 4.535 1.379 ( -0.980 0.000 0.345) 1.038 1.735 ( -0.879 0.000 4.398) 4.485 1.738 ( -3.491 0.000 2.291) 4.175 1.774 ( 6.020 -0.000 2.069) 6.365 1.842 ( 0.209 -0.000 -1.702) 1.715 2.107 ( 3.378 -0.000 0.197) 3.384 2.144 ( -1.828 0.000 1.780) 2.551 2.265 ( 4.054 -0.000 1.850) 4.456 2.394 ( -5.456 0.000 -1.536) 5.668 2.498 ( -2.717 0.000 -1.939) 3.338 2.530 ( -2.195 0.000 -3.796) 4.385 2.646 ( -0.037 0.000 -1.561) 1.561 2.700 ( -2.027 0.000 -2.857) 3.503 2.711 ( 1.870 -0.000 2.286) 2.953 2.824 ( -1.866 0.000 -0.617) 1.966 2.975 ( -0.147 0.000 -5.211) 5.213 3.296 ( 0.681 -0.000 0.932) 1.154 3.413 ( 5.464 -0.000 -3.888) 6.706 3.726 ( -0.660 0.000 -6.352) 6.386 3.870 ( 0.686 -0.000 1.108) 1.303 3.874 ( 3.638 -0.000 -0.637) 3.693 3.990 ( 3.968 -0.000 4.883) 6.292 4.082 ( 4.894 -0.000 1.916) 5.256 4.390 ( -1.935 0.000 1.480) 2.437 4.553 ( -2.025 0.000 -0.132) 2.030 4.750 ( -3.645 0.000 0.351) 3.662 8.456 ( -0.826 0.000 -1.004) 1.300 8.495 ( -0.547 0.000 1.328) 1.436 8.658 ( 1.175 -0.000 2.411) 2.682 8.746 ( -0.029 0.000 -1.317) 1.318 8.807 ( -0.098 0.000 -1.116) 1.121 10.173 ( -0.543 0.000 -4.752) 4.783 10.198 ( 0.154 -0.000 3.302) 3.305 10.278 ( -0.642 0.000 1.451) 1.587 10.302 ( -0.437 0.000 1.879) 1.929 10.348 ( -0.104 0.000 -1.646) 1.649 ======================= Grid point 70 (33/89) ======================= q-point: (-0.17 -0.33 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.369 ( -5.754 1.780 -3.525) 6.979 0.417 ( -6.146 -0.638 4.386) 7.577 0.529 ( 0.411 1.320 0.002) 1.383 0.635 ( -4.061 0.153 -3.534) 5.386 0.737 ( -2.506 -1.029 -0.230) 2.719 0.781 ( -1.260 -3.321 0.264) 3.562 0.833 ( 0.040 0.445 1.409) 1.478 0.861 ( -0.395 -1.166 2.156) 2.483 0.895 ( -8.120 -1.408 -3.742) 9.051 1.001 ( -0.707 1.109 1.498) 1.994 1.052 ( 0.889 -2.052 1.648) 2.778 1.096 ( -1.856 0.103 -2.544) 3.151 1.178 ( 4.671 -1.615 3.714) 6.182 1.305 ( 2.404 1.172 2.594) 3.726 1.337 ( 1.100 3.364 0.749) 3.617 1.444 ( 2.701 -3.135 -1.412) 4.372 1.681 ( -3.581 1.518 -1.001) 4.016 1.746 ( -2.691 0.931 7.006) 7.562 1.848 ( 0.253 -2.872 -0.290) 2.898 1.888 ( 5.808 -1.095 -0.913) 5.980 2.090 ( 0.951 1.845 -2.308) 3.104 2.159 ( -0.556 -0.632 -1.721) 1.916 2.240 ( -6.886 3.292 -2.575) 8.055 2.379 ( -0.024 1.282 -0.016) 1.282 2.423 ( 1.721 -0.757 -0.555) 1.961 2.491 ( 1.840 1.619 -1.420) 2.832 2.623 ( -1.403 1.542 2.658) 3.378 2.730 ( 5.770 0.548 1.315) 5.943 2.748 ( 0.255 0.542 1.912) 2.004 2.797 ( -1.235 -0.153 -0.668) 1.412 2.960 ( -0.957 -5.652 -4.243) 7.132 3.275 ( -0.546 3.545 -0.230) 3.594 3.463 ( 5.013 -0.152 -4.722) 6.889 3.632 ( -1.613 3.547 -4.969) 6.315 3.817 ( 1.924 7.142 -0.640) 7.424 3.983 ( 2.341 -4.470 -0.430) 5.064 4.107 ( 2.688 -5.568 1.175) 6.294 4.177 ( 5.156 -1.666 0.263) 5.425 4.361 ( -2.109 2.358 2.013) 3.749 4.520 ( -2.043 1.446 1.715) 3.034 4.699 ( -3.816 -0.979 1.069) 4.083 8.441 ( -0.503 -0.109 -0.235) 0.566 8.500 ( -0.619 -0.582 1.050) 1.351 8.677 ( 0.583 1.706 1.163) 2.145 8.746 ( 0.196 -1.599 -0.897) 1.844 8.796 ( 0.166 0.515 -0.976) 1.116 10.119 ( -1.355 0.125 -4.113) 4.333 10.222 ( 0.212 0.204 2.191) 2.211 10.288 ( -0.134 0.183 0.971) 0.997 10.306 ( -0.980 -0.737 1.627) 2.038 10.338 ( -0.252 -0.881 -1.146) 1.467 ======================= Grid point 76 (34/89) ======================= q-point: (-0.17 -0.17 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.237 ( -8.324 0.000 -4.475) 9.451 0.321 ( -9.767 0.000 -1.122) 9.831 0.519 ( -10.632 0.000 -2.696) 10.968 0.551 ( 1.374 -0.000 -0.019) 1.375 0.571 ( -8.188 0.000 0.217) 8.191 0.746 ( -0.076 0.000 -0.050) 0.091 0.810 ( -3.957 0.000 1.152) 4.121 0.849 ( -0.108 0.000 -0.152) 0.186 0.895 ( 2.867 -0.000 2.030) 3.513 1.004 ( -1.168 0.000 0.357) 1.222 1.038 ( -1.225 0.000 -2.709) 2.973 1.085 ( 1.948 -0.000 0.528) 2.019 1.280 ( 5.339 -0.000 5.451) 7.630 1.359 ( -0.442 0.000 2.890) 2.924 1.379 ( 1.406 -0.000 1.428) 2.003 1.451 ( 4.064 -0.000 -2.896) 4.991 1.617 ( -5.164 0.000 -1.465) 5.368 1.765 ( -3.492 0.000 6.999) 7.821 1.847 ( 1.685 -0.000 0.695) 1.823 1.946 ( 5.754 -0.000 -3.759) 6.873 2.078 ( -6.515 0.000 -2.907) 7.134 2.111 ( 3.582 -0.000 -5.546) 6.602 2.196 ( -0.587 0.000 1.086) 1.235 2.306 ( -2.475 0.000 -5.182) 5.743 2.516 ( 4.883 -0.000 -0.203) 4.887 2.560 ( 3.997 -0.000 4.919) 6.338 2.617 ( -3.895 0.000 4.269) 5.779 2.754 ( -0.314 0.000 -2.873) 2.890 2.775 ( -2.289 0.000 3.627) 4.289 2.846 ( 5.024 -0.000 2.575) 5.645 2.856 ( -1.045 0.000 -6.751) 6.831 3.265 ( -2.287 0.000 -1.854) 2.944 3.487 ( 2.553 -0.000 -3.786) 4.566 3.603 ( -0.070 0.000 -2.944) 2.945 3.780 ( -5.831 0.000 -23.631) 24.339 4.011 ( 5.212 -0.000 -0.042) 5.212 4.096 ( 1.979 -0.000 -2.467) 3.163 4.247 ( 4.033 -0.000 1.163) 4.198 4.356 ( -1.657 0.000 -0.146) 1.663 4.554 ( 0.551 -0.000 5.684) 5.710 4.622 ( -5.440 0.000 0.866) 5.508 8.434 ( -0.252 0.000 0.474) 0.537 8.493 ( -0.673 0.000 0.047) 0.675 8.708 ( 0.539 -0.000 0.647) 0.842 8.725 ( 0.099 -0.000 -1.133) 1.138 8.798 ( 0.446 -0.000 -0.397) 0.597 10.090 ( -0.361 0.000 3.706) 3.724 10.242 ( 0.106 -0.000 1.696) 1.700 10.294 ( -1.256 0.000 0.235) 1.278 10.302 ( 0.231 -0.000 0.864) 0.894 10.315 ( -0.340 0.000 -0.426) 0.545 ======================= Grid point 77 (35/89) ======================= q-point: ( 0.00 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 89 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.326 ( 4.821 -0.000 7.640) 9.034 0.383 ( -1.445 0.000 8.252) 8.377 0.538 ( 1.333 -0.000 4.198) 4.404 0.629 ( 0.517 -0.000 1.104) 1.219 0.676 ( -1.453 0.000 -2.253) 2.681 0.700 ( 5.100 -0.000 7.704) 9.239 0.706 ( 0.452 -0.000 0.007) 0.452 0.853 ( 0.252 -0.000 0.926) 0.960 0.942 ( -1.507 0.000 -1.033) 1.827 1.027 ( -0.711 0.000 2.952) 3.036 1.028 ( 0.480 -0.000 -3.463) 3.496 1.104 ( 3.230 -0.000 2.173) 3.893 1.340 ( -3.054 0.000 -3.990) 5.025 1.363 ( -2.693 0.000 -2.030) 3.372 1.429 ( -4.339 0.000 3.792) 5.762 1.430 ( 0.412 -0.000 -0.974) 1.058 1.650 ( 3.347 -0.000 3.111) 4.570 1.822 ( -1.300 0.000 -1.666) 2.113 1.829 ( 11.255 -0.000 1.743) 11.389 1.871 ( 4.316 -0.000 -6.300) 7.636 1.939 ( -5.442 0.000 8.394) 10.003 2.048 ( 6.842 -0.000 2.509) 7.287 2.087 ( 4.005 -0.000 -3.733) 5.474 2.202 ( 0.344 -0.000 0.053) 0.348 2.339 ( 3.407 -0.000 1.650) 3.785 2.459 ( -3.655 0.000 -7.554) 8.392 2.533 ( -8.784 0.000 -1.000) 8.841 2.610 ( 0.230 -0.000 -1.001) 1.027 2.671 ( -4.944 0.000 2.682) 5.624 2.771 ( -1.082 0.000 -4.480) 4.608 2.868 ( -1.178 0.000 0.142) 1.187 2.963 ( 3.196 -0.000 -0.869) 3.312 3.287 ( 1.723 -0.000 2.323) 2.892 3.516 ( 2.004 -0.000 -1.329) 2.405 3.733 ( 3.473 -0.000 6.292) 7.187 4.034 ( -0.103 0.000 -2.431) 2.433 4.150 ( 2.296 -0.000 0.048) 2.296 4.345 ( -1.380 0.000 1.223) 1.844 4.395 ( 1.647 -0.000 1.186) 2.030 4.525 ( -1.065 0.000 0.058) 1.066 4.542 ( -1.519 0.000 0.668) 1.659 8.499 ( -0.327 0.000 0.977) 1.030 8.518 ( 0.283 -0.000 3.211) 3.223 8.698 ( 0.943 -0.000 -1.398) 1.686 8.703 ( -1.483 0.000 -0.505) 1.566 8.773 ( 1.032 -0.000 -1.963) 2.217 10.205 ( -1.903 0.000 -1.563) 2.462 10.252 ( -0.748 0.000 -0.117) 0.757 10.254 ( -0.420 0.000 0.352) 0.548 10.353 ( 0.964 -0.000 0.908) 1.325 10.551 ( 0.667 -0.000 -1.871) 1.987 ======================= Grid point 78 (36/89) ======================= q-point: ( 0.17 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.417 ( -1.508 -0.732 8.410) 8.575 0.444 ( 0.100 -0.053 4.253) 4.255 0.595 ( 3.924 -0.640 1.974) 4.439 0.629 ( -0.270 -0.492 1.132) 1.263 0.683 ( 0.460 -1.146 -0.844) 1.496 0.719 ( 1.847 -2.119 0.038) 2.811 0.827 ( 2.821 1.810 2.214) 4.017 0.865 ( -1.106 -0.714 -0.931) 1.612 0.937 ( 2.843 -1.394 4.431) 5.446 1.030 ( 0.123 -1.636 -0.594) 1.745 1.039 ( 0.070 -1.832 0.265) 1.853 1.157 ( 2.429 1.671 1.497) 3.306 1.244 ( -4.966 1.247 -3.060) 5.965 1.297 ( -3.175 -0.293 -1.900) 3.712 1.398 ( -5.101 -1.235 3.080) 6.085 1.431 ( 1.754 0.687 -2.446) 3.088 1.706 ( 1.832 0.953 1.421) 2.507 1.823 ( 0.354 -2.521 -1.554) 2.982 1.900 ( -0.194 -1.301 0.887) 1.586 1.940 ( -0.846 1.416 3.885) 4.220 1.952 ( 3.142 1.387 -1.691) 3.829 2.127 ( 5.281 1.571 -2.239) 5.947 2.187 ( -1.815 -6.520 -1.941) 7.040 2.270 ( 7.007 -5.650 -2.187) 9.263 2.330 ( -0.641 2.651 -4.466) 5.233 2.415 ( -1.224 -2.600 -4.411) 5.265 2.448 ( 5.769 -1.660 0.111) 6.004 2.600 ( -2.118 -1.146 0.354) 2.434 2.690 ( 3.369 -2.683 2.619) 5.041 2.722 ( 1.335 3.344 -2.783) 4.551 2.870 ( 0.143 -2.240 -0.725) 2.358 3.007 ( 3.109 -1.663 -2.414) 4.273 3.303 ( 1.164 4.359 1.281) 4.690 3.535 ( -0.388 -3.617 -0.725) 3.709 3.776 ( 1.459 6.752 4.319) 8.147 4.037 ( -0.703 -3.846 -0.155) 3.912 4.174 ( -1.249 -3.435 -1.261) 3.866 4.322 ( -0.977 3.404 0.786) 3.628 4.360 ( 1.218 5.927 0.547) 6.075 4.535 ( -1.144 -0.183 1.038) 1.556 4.591 ( 2.552 -5.562 0.630) 6.152 8.493 ( -0.816 0.898 1.456) 1.895 8.549 ( -0.039 -0.548 2.662) 2.718 8.656 ( -1.253 1.474 -1.297) 2.329 8.716 ( 0.322 -1.901 -1.551) 2.474 8.776 ( 1.366 0.439 -1.337) 1.961 10.168 ( -1.837 0.013 -0.755) 1.986 10.236 ( -0.497 0.565 0.504) 0.906 10.256 ( -0.686 -0.897 -0.028) 1.129 10.369 ( 0.501 0.390 0.834) 1.048 10.506 ( -2.125 2.450 -0.827) 3.347 ======================= Grid point 79 (37/89) ======================= q-point: ( 0.33 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 148 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.424 ( -2.324 1.965 3.094) 4.339 0.483 ( -0.334 -1.307 5.648) 5.807 0.595 ( -1.244 1.896 0.801) 2.405 0.681 ( 0.465 1.405 0.120) 1.485 0.712 ( 3.052 -1.027 1.449) 3.531 0.794 ( 0.139 -2.540 -0.508) 2.594 0.814 ( 0.995 -1.534 -0.003) 1.828 0.855 ( -0.051 -0.503 0.778) 0.928 0.996 ( -1.575 -0.606 1.354) 2.163 1.035 ( -4.313 -0.381 -3.977) 5.879 1.116 ( 5.529 0.043 4.110) 6.889 1.137 ( -1.371 1.579 -1.706) 2.699 1.161 ( 0.086 -1.324 -1.146) 1.753 1.285 ( 1.044 -0.568 1.226) 1.707 1.336 ( -5.601 1.436 3.102) 6.562 1.446 ( 2.339 -0.222 -1.226) 2.650 1.697 ( -1.965 1.201 -0.118) 2.306 1.854 ( 0.941 -2.316 -1.357) 2.845 1.879 ( -0.173 2.307 -1.864) 2.971 1.912 ( -4.963 -0.702 8.425) 9.804 2.033 ( 3.000 -3.172 -1.530) 4.626 2.103 ( -1.567 0.907 -3.442) 3.889 2.130 ( -8.838 -6.904 -3.607) 11.781 2.284 ( 4.277 1.028 -2.068) 4.861 2.363 ( 1.808 3.398 -1.884) 4.286 2.439 ( 5.585 -0.718 -1.822) 5.918 2.561 ( 3.509 -0.481 -0.797) 3.631 2.628 ( -0.368 -6.205 0.138) 6.218 2.727 ( 6.498 2.749 -0.028) 7.055 2.814 ( 2.770 -0.841 2.307) 3.702 2.955 ( 8.397 -7.412 -4.121) 11.934 3.063 ( 4.543 -3.770 -2.915) 6.584 3.239 ( -0.425 6.966 -0.996) 7.050 3.562 ( -3.503 -4.776 -1.158) 6.035 3.725 ( 0.828 6.089 1.820) 6.409 4.049 ( -2.504 -0.088 -1.464) 2.902 4.185 ( -3.349 -6.997 -1.839) 7.972 4.259 ( 0.541 5.312 0.423) 5.356 4.343 ( 2.795 4.244 1.009) 5.180 4.527 ( -1.090 0.096 1.067) 1.528 4.688 ( 2.095 -3.549 0.727) 4.185 8.482 ( -0.788 0.996 1.963) 2.338 8.556 ( -0.963 0.878 0.761) 1.509 8.626 ( -0.740 -0.759 -0.780) 1.316 8.730 ( 0.636 -1.446 -1.573) 2.229 8.780 ( 1.274 0.806 -0.702) 1.663 10.143 ( -1.446 0.100 0.896) 1.704 10.234 ( -0.497 -0.127 1.283) 1.381 10.255 ( -0.568 -0.896 -0.362) 1.121 10.370 ( -0.088 0.849 0.594) 1.040 10.439 ( -2.102 2.669 -0.137) 3.400 ======================= Grid point 80 (38/89) ======================= q-point: (-0.50 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.377 ( -2.704 4.133 3.196) 5.883 0.519 ( -0.262 1.242 -0.434) 1.342 0.552 ( -3.746 1.244 4.864) 6.264 0.615 ( -2.739 3.143 -0.966) 4.280 0.778 ( -0.062 0.424 -0.308) 0.527 0.794 ( 3.493 -0.728 1.113) 3.738 0.854 ( -1.309 0.870 -0.555) 1.667 0.886 ( -6.893 1.306 -2.226) 7.360 0.899 ( 2.592 -1.453 1.238) 3.219 0.972 ( -3.501 -1.526 -0.611) 3.868 1.073 ( -1.455 1.681 -1.854) 2.895 1.173 ( -0.472 2.707 2.527) 3.733 1.220 ( 1.809 -3.945 0.021) 4.340 1.313 ( 1.780 0.633 4.384) 4.774 1.341 ( 2.763 -1.204 1.410) 3.327 1.473 ( 1.727 0.206 -0.020) 1.739 1.635 ( -4.064 0.480 -0.937) 4.198 1.848 ( -1.020 -2.020 -1.919) 2.967 1.884 ( 1.930 -0.402 -2.579) 3.246 1.906 ( -4.809 -0.496 6.381) 8.006 2.002 ( -0.597 2.469 -2.886) 3.845 2.047 ( -6.487 -2.992 0.548) 7.165 2.156 ( 2.854 -5.437 -4.088) 7.377 2.291 ( -0.342 6.537 -0.346) 6.555 2.378 ( 5.010 -4.247 0.776) 6.613 2.521 ( 5.156 -1.002 -0.485) 5.274 2.596 ( 1.965 -0.260 -0.066) 1.983 2.682 ( 0.527 -2.820 -0.840) 2.989 2.799 ( 2.529 1.072 0.626) 2.817 2.849 ( 4.647 2.998 2.139) 5.930 3.075 ( 1.806 -4.330 -1.860) 5.047 3.127 ( -2.124 4.694 -3.219) 6.075 3.244 ( 11.402 -6.210 -3.096) 13.347 3.492 ( -5.566 0.192 -5.293) 7.683 3.704 ( -1.833 0.328 -2.013) 2.742 3.936 ( -3.132 3.426 -6.164) 7.716 4.190 ( -1.361 -1.546 -2.145) 2.974 4.251 ( 0.396 -0.340 2.636) 2.687 4.345 ( 1.883 2.896 1.135) 3.636 4.521 ( -1.014 -0.458 1.044) 1.525 4.735 ( 0.456 -0.353 0.273) 0.638 8.478 ( -0.519 1.018 2.433) 2.688 8.524 ( -1.274 1.199 -0.675) 1.876 8.633 ( -0.229 -1.945 -0.434) 2.006 8.743 ( 0.954 -0.671 -1.382) 1.809 8.782 ( 0.866 0.870 -0.370) 1.282 10.148 ( -0.109 -0.453 3.946) 3.973 10.240 ( -0.924 -0.918 0.865) 1.564 10.261 ( 0.231 -0.746 0.358) 0.859 10.358 ( -0.530 1.035 0.480) 1.258 10.382 ( -1.487 2.301 -0.348) 2.761 ======================= Grid point 81 (39/89) ======================= q-point: (-0.33 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 148 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.305 ( -1.335 7.032 5.293) 8.902 0.405 ( -4.095 7.463 0.123) 8.513 0.540 ( -1.850 -0.016 1.523) 2.397 0.578 ( -2.097 1.468 3.988) 4.739 0.693 ( -5.739 3.874 0.894) 6.982 0.782 ( -1.566 0.145 -0.598) 1.683 0.837 ( 1.758 3.666 -0.971) 4.180 0.851 ( -1.520 -0.134 -0.113) 1.530 0.931 ( 0.637 -0.959 -0.026) 1.151 0.965 ( 1.149 -1.916 -0.293) 2.253 1.034 ( -1.596 0.971 1.033) 2.135 1.128 ( -1.436 2.681 0.771) 3.137 1.306 ( 2.230 -4.534 0.246) 5.058 1.380 ( 1.689 -1.739 0.498) 2.475 1.403 ( 2.332 -0.565 2.795) 3.684 1.491 ( 2.221 1.828 1.505) 3.246 1.563 ( -4.789 -0.531 -0.671) 4.865 1.848 ( -2.737 -2.044 -1.941) 3.929 1.879 ( -2.911 -4.834 0.808) 5.700 1.911 ( 5.156 3.724 -1.309) 6.493 1.949 ( -0.589 1.730 -2.031) 2.732 2.011 ( -3.050 -0.330 2.500) 3.958 2.198 ( 0.596 0.597 -2.677) 2.807 2.247 ( 3.168 1.022 0.160) 3.333 2.488 ( 1.613 -1.866 1.601) 2.940 2.566 ( -0.003 -1.626 -5.443) 5.680 2.636 ( 0.946 -0.922 2.284) 2.638 2.703 ( 1.151 -0.372 -1.208) 1.709 2.763 ( -3.117 2.866 -3.500) 5.494 2.884 ( 2.437 4.049 -0.076) 4.726 2.981 ( -3.331 6.352 -1.267) 7.284 3.154 ( -1.531 -2.511 -3.360) 4.465 3.278 ( -8.282 3.346 -11.473) 14.541 3.403 ( 4.070 -2.081 -4.767) 6.604 3.585 ( -1.079 1.550 -1.948) 2.714 3.917 ( 2.818 -3.070 0.057) 4.167 4.166 ( 0.820 2.104 -1.906) 2.955 4.287 ( 0.813 -0.523 2.448) 2.632 4.346 ( -0.447 0.113 1.225) 1.309 4.525 ( -1.024 -1.477 0.681) 1.922 4.710 ( -1.688 2.932 -0.445) 3.413 8.480 ( -0.469 0.909 2.128) 2.361 8.495 ( -0.502 0.568 0.378) 0.847 8.653 ( 0.167 -2.167 -0.511) 2.233 8.748 ( 0.937 0.735 -1.037) 1.579 8.780 ( 0.444 0.222 -0.870) 1.002 10.215 ( 1.518 -1.852 3.947) 4.617 10.245 ( -0.761 -1.672 0.393) 1.879 10.280 ( 0.611 0.164 1.102) 1.271 10.335 ( -0.462 1.752 -0.332) 1.842 10.360 ( 0.691 -0.540 2.616) 2.760 ======================= Grid point 82 (40/89) ======================= q-point: (-0.17 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.278 ( 0.904 9.239 5.904) 11.001 0.320 ( 1.928 3.403 8.604) 9.452 0.529 ( -6.622 -0.016 5.651) 8.705 0.561 ( 2.170 -0.145 5.799) 6.193 0.632 ( 0.105 2.877 2.098) 3.562 0.739 ( -2.718 0.536 -1.068) 2.969 0.769 ( -1.059 4.854 -3.232) 5.927 0.842 ( 0.913 1.010 0.803) 1.581 0.954 ( 0.431 -0.894 -1.035) 1.434 1.010 ( 0.623 -0.226 2.077) 2.181 1.026 ( 1.185 0.187 1.898) 2.245 1.086 ( -0.364 1.635 -1.796) 2.456 1.375 ( 2.103 -1.953 -2.679) 3.926 1.395 ( -0.549 -0.689 -1.499) 1.739 1.435 ( -3.114 -2.106 1.632) 4.098 1.478 ( -3.495 1.171 0.525) 3.723 1.568 ( 4.107 0.261 4.521) 6.114 1.801 ( -5.412 -2.537 0.224) 5.981 1.884 ( 3.422 2.814 -5.817) 7.312 1.932 ( -2.102 -0.308 4.211) 4.716 1.955 ( 5.503 1.851 -0.070) 5.806 1.982 ( -1.822 3.325 -2.984) 4.825 2.157 ( -8.793 4.506 -4.985) 11.066 2.227 ( -3.705 11.246 -4.381) 12.625 2.299 ( 1.458 0.918 -0.601) 1.825 2.528 ( -1.424 -0.886 -2.394) 2.923 2.625 ( -3.241 -0.300 -0.184) 3.260 2.644 ( -2.301 0.103 -2.175) 3.168 2.719 ( -2.357 -0.709 0.814) 2.593 2.860 ( -4.325 2.064 -2.291) 5.312 2.877 ( -0.088 0.656 -1.012) 1.210 2.968 ( -2.459 4.080 -0.736) 4.820 3.247 ( 0.228 -2.181 0.121) 2.196 3.466 ( 4.481 -1.544 -0.190) 4.744 3.630 ( 3.699 -0.770 3.024) 4.839 4.012 ( 2.843 -3.964 -0.671) 4.924 4.138 ( 2.567 4.372 -0.838) 5.138 4.332 ( 1.451 -2.126 1.519) 2.989 4.349 ( -1.541 -1.292 1.283) 2.385 4.532 ( -1.239 -1.658 0.398) 2.108 4.621 ( -3.150 4.921 -0.332) 5.852 8.483 ( -0.125 -0.512 1.470) 1.562 8.501 ( 0.296 0.862 2.317) 2.490 8.678 ( 0.358 -2.088 -0.748) 2.247 8.735 ( 0.121 1.833 -0.471) 1.897 8.776 ( 0.529 -0.270 -1.909) 2.000 10.238 ( -0.804 -0.768 -1.181) 1.622 10.249 ( -1.204 -0.838 0.096) 1.470 10.275 ( -0.607 1.120 0.058) 1.276 10.331 ( 1.158 0.291 0.683) 1.375 10.478 ( 5.393 -3.907 2.752) 7.206 ======================= Grid point 84 (41/89) ======================= q-point: ( 0.17 0.17 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 87 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.451 ( -0.819 0.000 6.593) 6.644 0.478 ( -0.531 0.000 3.398) 3.439 0.624 ( -0.499 0.000 0.091) 0.507 0.672 ( 4.425 -0.000 1.835) 4.790 0.711 ( 3.537 -0.000 1.108) 3.707 0.746 ( 1.318 -0.000 1.702) 2.153 0.804 ( -2.830 0.000 -2.135) 3.545 0.850 ( -0.201 0.000 0.423) 0.469 0.985 ( -2.063 0.000 0.730) 2.188 1.011 ( 0.938 -0.000 -2.973) 3.118 1.114 ( 5.712 -0.000 5.272) 7.773 1.156 ( -3.358 0.000 -2.597) 4.245 1.164 ( -2.341 0.000 -1.822) 2.967 1.274 ( 1.679 -0.000 1.572) 2.300 1.343 ( -4.852 0.000 3.472) 5.966 1.446 ( 2.269 -0.000 -2.426) 3.322 1.723 ( -1.546 0.000 0.542) 1.638 1.799 ( -0.503 0.000 -1.716) 1.789 1.931 ( 5.110 -0.000 -2.865) 5.858 1.933 ( -4.060 0.000 5.237) 6.626 1.973 ( -3.159 0.000 -0.170) 3.164 1.985 ( -8.487 0.000 -1.261) 8.581 2.211 ( -0.232 0.000 -3.233) 3.241 2.241 ( 4.307 -0.000 -6.820) 8.066 2.422 ( 12.187 -0.000 -4.488) 12.987 2.432 ( 4.606 -0.000 -0.750) 4.667 2.543 ( -3.738 0.000 1.036) 3.879 2.544 ( 5.364 -0.000 2.322) 5.845 2.780 ( 5.402 -0.000 0.595) 5.435 2.783 ( 6.820 -0.000 1.946) 7.093 2.860 ( 3.656 -0.000 -1.851) 4.098 3.022 ( 3.722 -0.000 -3.669) 5.226 3.363 ( 0.788 -0.000 1.232) 1.462 3.464 ( -3.462 0.000 -2.143) 4.071 3.893 ( 0.965 -0.000 4.698) 4.796 3.947 ( -3.315 0.000 -1.550) 3.659 4.105 ( -3.466 0.000 -3.410) 4.862 4.326 ( -2.677 0.000 0.406) 2.707 4.393 ( -0.746 0.000 1.046) 1.285 4.565 ( 1.143 -0.000 1.561) 1.935 4.610 ( 5.498 -0.000 -0.178) 5.501 8.498 ( -0.916 0.000 2.102) 2.292 8.561 ( -0.495 0.000 1.782) 1.849 8.625 ( -1.956 0.000 -1.951) 2.763 8.707 ( 1.248 -0.000 -1.325) 1.820 8.790 ( 1.413 -0.000 -0.878) 1.664 10.144 ( -1.347 0.000 0.577) 1.466 10.239 ( -1.298 0.000 0.751) 1.500 10.239 ( 0.036 -0.000 0.101) 0.107 10.381 ( -0.137 0.000 0.727) 0.740 10.474 ( -2.678 0.000 -0.860) 2.812 ======================= Grid point 85 (42/89) ======================= q-point: (-0.67 0.17 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.474 ( 0.489 3.129 4.584) 5.571 0.512 ( 0.423 -0.260 4.798) 4.823 0.602 ( -0.895 1.331 -0.620) 1.720 0.688 ( -3.506 2.184 -1.323) 4.338 0.745 ( 0.899 -1.606 0.287) 1.863 0.773 ( 2.200 -1.603 1.367) 3.046 0.834 ( 2.956 -0.450 1.993) 3.593 0.867 ( 1.502 -0.954 1.212) 2.153 0.922 ( -5.792 0.494 -2.341) 6.267 0.957 ( -4.684 0.098 -2.507) 5.314 1.090 ( -2.108 -0.356 -1.847) 2.825 1.128 ( 1.755 -1.938 -1.336) 2.936 1.255 ( 2.913 2.712 3.094) 5.041 1.307 ( 0.012 -0.816 1.432) 1.649 1.326 ( 0.724 -0.460 3.936) 4.028 1.471 ( 3.140 0.027 -0.626) 3.202 1.667 ( -4.330 1.990 -0.205) 4.770 1.763 ( -5.913 -4.164 -1.127) 7.319 1.854 ( -1.473 0.732 -4.663) 4.944 1.915 ( -0.977 -1.102 -0.317) 1.506 1.972 ( -4.335 -1.275 7.476) 8.736 2.025 ( 3.423 -4.169 0.213) 5.398 2.148 ( 3.086 6.963 -2.573) 8.039 2.296 ( 5.029 -2.553 -3.394) 6.582 2.441 ( 0.891 3.798 -1.993) 4.380 2.530 ( 2.085 -2.207 -1.535) 3.402 2.548 ( 3.211 -0.386 0.849) 3.343 2.616 ( 4.707 -1.695 -1.306) 5.170 2.838 ( 1.812 1.415 1.280) 2.631 2.897 ( 8.606 1.599 2.829) 9.200 2.955 ( 3.969 -2.995 -3.078) 5.847 3.103 ( 9.973 -4.142 -3.774) 11.439 3.302 ( -1.818 6.913 -0.934) 7.209 3.439 ( -3.437 -4.553 -1.991) 6.042 3.804 ( -1.757 7.741 -0.298) 7.943 3.992 ( -3.140 0.022 -1.663) 3.553 4.026 ( -3.531 -8.105 -3.067) 9.358 4.264 ( -4.452 0.180 0.173) 4.459 4.398 ( 0.615 0.966 1.132) 1.610 4.570 ( 1.616 3.157 1.027) 3.692 4.703 ( 4.009 -1.930 -0.084) 4.450 8.502 ( -0.598 0.759 2.761) 2.925 8.551 ( -1.380 0.918 -0.078) 1.660 8.594 ( -0.885 -1.199 -1.085) 1.843 8.721 ( 1.280 -0.741 -1.235) 1.927 8.801 ( 1.172 0.496 -0.620) 1.415 10.141 ( -0.575 -0.183 2.313) 2.390 10.226 ( -1.331 -0.243 0.912) 1.632 10.248 ( 0.384 -0.347 0.776) 0.933 10.376 ( -0.782 0.416 0.406) 0.975 10.425 ( -2.116 1.060 -1.023) 2.578 ======================= Grid point 86 (43/89) ======================= q-point: (-0.50 0.17 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.471 ( 1.277 6.131 4.975) 7.998 0.536 ( -0.350 0.879 0.810) 1.246 0.549 ( -2.751 3.793 1.371) 4.881 0.628 ( -0.101 1.856 1.093) 2.156 0.748 ( -3.097 0.119 -0.264) 3.110 0.782 ( -5.377 -0.241 -0.921) 5.461 0.830 ( 0.599 -0.585 -0.630) 1.047 0.885 ( -2.614 -0.431 -1.442) 3.016 0.894 ( 2.113 -0.983 1.189) 2.617 0.928 ( 2.586 -1.136 1.176) 3.059 1.063 ( -0.142 0.812 -0.508) 0.968 1.192 ( 1.533 -2.526 0.386) 2.980 1.211 ( -2.635 2.226 2.579) 4.306 1.342 ( 1.288 -0.990 -0.551) 1.716 1.383 ( 0.870 -1.071 2.438) 2.802 1.518 ( 3.215 0.638 0.164) 3.281 1.576 ( -4.296 1.425 0.011) 4.526 1.742 ( -4.109 -5.735 0.198) 7.058 1.814 ( 0.492 -0.668 -3.382) 3.482 1.937 ( 0.892 -1.519 0.070) 1.763 1.978 ( -4.724 -0.785 7.482) 8.883 2.087 ( 2.670 3.009 -0.370) 4.039 2.142 ( 6.684 1.482 -1.631) 7.038 2.347 ( 0.352 2.626 -1.246) 2.928 2.424 ( 3.936 -1.039 0.377) 4.088 2.536 ( -0.164 -0.879 -2.799) 2.938 2.607 ( 2.347 -1.383 0.693) 2.811 2.694 ( 3.699 -1.166 -1.555) 4.178 2.833 ( 0.670 3.475 0.017) 3.539 2.980 ( 3.591 2.815 -1.594) 4.833 3.018 ( 3.648 -3.634 -2.265) 5.625 3.147 ( -3.405 5.433 -1.781) 6.654 3.289 ( 3.693 -4.431 -2.008) 6.108 3.415 ( 2.070 2.025 -5.755) 6.443 3.658 ( -4.021 5.895 -5.133) 8.790 3.896 ( -1.497 0.567 -2.204) 2.724 4.092 ( -1.425 -7.434 -0.233) 7.572 4.221 ( -4.224 -2.973 1.214) 5.306 4.396 ( 0.196 2.020 1.003) 2.264 4.560 ( 1.443 3.334 0.716) 3.703 4.751 ( 1.548 0.615 -0.407) 1.715 8.504 ( -0.804 1.026 1.846) 2.260 8.515 ( -0.781 1.143 0.399) 1.441 8.604 ( -0.093 -2.013 -0.128) 2.019 8.738 ( 1.128 -0.874 -1.454) 2.037 8.801 ( 0.690 0.973 -0.699) 1.383 10.173 ( 0.454 -1.403 3.776) 4.054 10.220 ( -1.007 -0.547 0.727) 1.357 10.271 ( 0.741 -0.548 1.737) 1.966 10.358 ( -1.152 0.424 0.355) 1.278 10.376 ( -1.217 1.248 -1.201) 2.117 ======================= Grid point 87 (44/89) ======================= q-point: (-0.33 0.17 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.443 ( -0.678 6.218 3.493) 7.164 0.496 ( 1.930 6.752 3.756) 7.963 0.518 ( -1.521 0.076 2.966) 3.334 0.606 ( -1.422 2.954 2.523) 4.137 0.680 ( -1.530 1.608 1.757) 2.831 0.737 ( -2.945 -0.307 -0.029) 2.961 0.835 ( -1.540 0.241 -1.601) 2.234 0.856 ( 1.066 -0.626 -1.016) 1.600 0.933 ( 0.789 -0.462 -0.188) 0.933 0.994 ( 3.116 -1.468 1.641) 3.816 1.049 ( -0.042 2.275 1.539) 2.747 1.140 ( -1.903 2.679 0.735) 3.368 1.286 ( 2.234 -4.655 0.144) 5.165 1.359 ( 0.246 -1.758 -2.498) 3.064 1.401 ( -2.519 -0.835 1.728) 3.167 1.495 ( -2.732 0.073 -0.724) 2.827 1.577 ( 2.627 0.367 2.413) 3.586 1.764 ( -0.532 -2.833 0.807) 2.993 1.842 ( 2.847 -2.738 -1.019) 4.080 1.946 ( -2.715 1.147 4.013) 4.979 1.986 ( -1.103 -1.862 2.380) 3.217 2.075 ( 4.012 6.234 -1.575) 7.579 2.211 ( 4.341 1.443 0.151) 4.577 2.312 ( 1.633 1.691 -1.110) 2.600 2.472 ( -0.660 -1.013 -1.635) 2.033 2.512 ( 0.516 1.178 -4.170) 4.364 2.640 ( -0.831 -0.143 -0.472) 0.966 2.717 ( 1.099 0.028 -2.159) 2.423 2.757 ( -1.897 8.531 -5.006) 10.072 2.925 ( -2.559 6.345 -3.593) 7.727 2.951 ( -3.867 3.757 -4.748) 7.184 3.084 ( -2.549 0.634 -2.774) 3.820 3.226 ( -0.563 6.649 -6.122) 9.056 3.393 ( 4.423 -4.322 -0.194) 6.187 3.634 ( 3.693 1.377 2.592) 4.717 3.923 ( 3.269 -3.584 -0.006) 4.851 4.147 ( 0.396 -4.362 -1.075) 4.510 4.232 ( -3.437 -5.685 2.509) 7.101 4.367 ( -1.073 3.047 0.425) 3.258 4.549 ( 1.038 2.348 0.571) 2.630 4.727 ( -0.694 3.708 -0.393) 3.793 8.481 ( -0.834 0.420 0.279) 0.975 8.521 ( 0.070 0.722 2.698) 2.794 8.629 ( 0.254 -1.872 0.205) 1.900 8.750 ( 0.978 -0.701 -1.642) 2.036 8.787 ( 0.123 1.297 -1.164) 1.747 10.219 ( -0.421 -0.818 0.283) 0.962 10.222 ( -0.626 -1.389 1.411) 2.076 10.295 ( -0.109 0.372 0.698) 0.798 10.343 ( 0.130 0.581 -0.799) 0.996 10.377 ( 0.852 -3.070 3.403) 4.662 ======================= Grid point 88 (45/89) ======================= q-point: (-0.17 0.17 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.388 ( -0.718 3.852 5.336) 6.620 0.459 ( -3.397 3.076 4.970) 6.760 0.543 ( 3.156 4.210 4.161) 6.709 0.626 ( 0.231 -0.627 3.020) 3.093 0.697 ( 3.298 0.717 3.115) 4.593 0.706 ( 0.545 0.374 0.659) 0.933 0.767 ( -1.953 2.709 -2.613) 4.241 0.877 ( 1.008 0.788 0.361) 1.330 0.934 ( -0.748 -0.000 0.145) 0.762 1.036 ( -1.103 1.176 2.884) 3.304 1.074 ( 3.386 -1.103 1.626) 3.915 1.093 ( 0.463 2.573 -2.368) 3.527 1.323 ( -4.656 -1.193 -2.865) 5.595 1.340 ( -1.358 -2.346 -1.674) 3.185 1.393 ( 0.954 -1.290 0.224) 1.620 1.467 ( -2.648 -0.296 0.314) 2.683 1.640 ( 2.899 -0.454 3.021) 4.211 1.816 ( 3.441 -0.760 1.333) 3.767 1.909 ( 0.946 0.790 -2.283) 2.594 1.918 ( -2.413 -1.293 6.576) 7.123 1.992 ( -1.954 6.890 -3.846) 8.129 2.022 ( 2.251 -1.773 0.763) 2.965 2.232 ( 8.007 8.117 -1.032) 11.449 2.309 ( 0.752 3.549 -3.802) 5.255 2.389 ( 1.422 7.307 -3.136) 8.078 2.435 ( 1.109 5.139 -3.372) 6.245 2.559 ( -4.940 1.796 -5.605) 7.684 2.608 ( -1.546 -1.109 -1.136) 2.216 2.702 ( -0.799 2.074 0.930) 2.409 2.769 ( -5.930 2.189 -4.810) 7.944 2.885 ( 0.851 1.054 -0.084) 1.357 3.018 ( 1.821 4.417 -1.274) 4.945 3.229 ( 1.219 -3.943 -0.134) 4.130 3.523 ( 4.829 -1.209 2.061) 5.388 3.674 ( 0.633 -1.324 2.752) 3.119 4.026 ( 3.578 -1.844 0.613) 4.072 4.201 ( 3.028 -1.058 -0.764) 3.297 4.272 ( -2.386 -4.681 1.641) 5.505 4.315 ( -2.241 -0.508 -0.010) 2.298 4.545 ( 0.212 1.017 0.728) 1.269 4.652 ( -1.026 6.034 0.306) 6.128 8.481 ( -0.485 -0.736 1.096) 1.407 8.535 ( 0.078 0.649 2.685) 2.764 8.652 ( -0.102 -1.660 -0.325) 1.695 8.751 ( 0.055 1.705 -0.955) 1.955 8.765 ( 0.780 -0.498 -2.168) 2.358 10.203 ( -1.666 -0.183 -1.401) 2.185 10.231 ( -0.681 -0.716 1.028) 1.426 10.279 ( -0.590 1.069 -0.239) 1.245 10.349 ( 0.784 -0.345 0.401) 0.945 10.473 ( 0.461 -5.255 1.304) 5.434 ======================= Grid point 91 (46/89) ======================= q-point: ( 0.33 -0.67 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 89 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.530 ( -0.378 0.000 2.929) 2.953 0.585 ( 2.240 -0.000 2.693) 3.502 0.592 ( 1.124 -0.000 0.491) 1.227 0.637 ( -2.238 0.000 -0.028) 2.238 0.749 ( -1.536 0.000 -0.551) 1.632 0.762 ( -2.345 0.000 0.161) 2.350 0.838 ( -2.513 0.000 -2.457) 3.514 0.847 ( -4.768 0.000 -0.505) 4.795 0.900 ( 1.611 -0.000 0.341) 1.646 0.913 ( 2.853 -0.000 3.349) 4.399 1.069 ( 0.461 -0.000 0.244) 0.522 1.141 ( 2.895 -0.000 -1.041) 3.077 1.265 ( -4.070 0.000 3.252) 5.210 1.347 ( 1.234 -0.000 0.551) 1.351 1.351 ( 0.965 -0.000 0.617) 1.145 1.528 ( 3.100 -0.000 0.255) 3.111 1.624 ( -3.230 0.000 0.044) 3.230 1.636 ( -4.759 0.000 0.140) 4.761 1.817 ( 0.501 -0.000 -2.658) 2.705 1.884 ( 0.015 -0.000 -1.948) 1.948 1.979 ( -4.594 0.000 8.728) 9.864 2.070 ( 3.737 -0.000 2.490) 4.490 2.254 ( 7.176 -0.000 -2.262) 7.524 2.339 ( 3.133 -0.000 -0.463) 3.167 2.442 ( -0.346 0.000 0.579) 0.675 2.493 ( 1.358 -0.000 -2.776) 3.091 2.617 ( 2.287 -0.000 -3.356) 4.061 2.662 ( 5.440 -0.000 -0.712) 5.486 2.882 ( 1.919 -0.000 -0.545) 1.995 2.944 ( 1.581 -0.000 -2.190) 2.701 3.086 ( 8.486 -0.000 3.821) 9.307 3.155 ( 5.398 -0.000 -5.952) 8.035 3.254 ( -8.003 0.000 -2.913) 8.517 3.422 ( 6.573 -0.000 -0.045) 6.574 3.826 ( -5.419 0.000 -10.732) 12.022 3.867 ( -1.245 0.000 1.544) 1.983 3.950 ( -2.047 0.000 1.433) 2.499 4.178 ( -6.108 0.000 0.228) 6.112 4.421 ( 0.479 -0.000 1.057) 1.160 4.611 ( 0.434 -0.000 0.585) 0.728 4.753 ( 3.846 -0.000 -0.384) 3.865 8.518 ( -0.815 0.000 2.207) 2.352 8.539 ( -1.519 0.000 -0.181) 1.529 8.570 ( 0.255 -0.000 0.149) 0.295 8.726 ( 1.264 -0.000 -1.479) 1.946 8.813 ( 0.771 -0.000 -0.755) 1.079 10.156 ( 0.011 -0.000 3.100) 3.100 10.214 ( -1.068 0.000 1.016) 1.474 10.264 ( 0.689 -0.000 1.734) 1.866 10.363 ( -1.444 0.000 0.075) 1.446 10.392 ( -1.540 0.000 -1.641) 2.250 ======================= Grid point 93 (47/89) ======================= q-point: (-0.50 0.33 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.527 ( -0.545 0.840 1.033) 1.438 0.559 ( -0.546 2.321 -1.185) 2.663 0.605 ( -0.277 2.914 2.691) 3.976 0.666 ( -0.463 1.980 1.353) 2.443 0.700 ( -0.524 0.142 1.219) 1.335 0.719 ( -2.145 -1.294 -0.305) 2.523 0.816 ( -2.113 -1.210 0.522) 2.490 0.828 ( 1.214 -0.987 -0.331) 1.599 0.931 ( 1.582 0.187 1.015) 1.889 0.966 ( 1.292 -0.674 2.217) 2.653 1.096 ( 2.597 1.288 1.258) 3.160 1.187 ( 1.064 -1.732 -0.180) 2.040 1.220 ( -2.721 1.899 3.584) 4.885 1.329 ( -1.409 -0.308 -1.361) 1.983 1.375 ( -0.660 -1.691 0.383) 1.855 1.495 ( -4.336 0.090 -3.001) 5.275 1.595 ( 1.099 1.392 2.260) 2.873 1.672 ( 1.602 -3.617 1.609) 4.270 1.827 ( 2.688 0.877 0.263) 2.839 1.895 ( -0.192 -3.952 -0.716) 4.021 1.975 ( -4.364 0.557 7.758) 8.919 2.142 ( 3.237 0.529 2.361) 4.041 2.294 ( 1.398 3.450 -1.249) 3.926 2.342 ( 3.257 0.538 -2.126) 3.926 2.470 ( 2.247 1.334 -1.305) 2.920 2.520 ( 1.790 -0.262 1.001) 2.068 2.625 ( 2.188 -0.929 -2.534) 3.474 2.704 ( 1.126 -0.586 -2.884) 3.151 2.862 ( -0.134 1.479 -3.599) 3.893 2.973 ( 0.858 -1.537 -1.169) 2.114 3.076 ( -8.693 1.573 -3.656) 9.560 3.100 ( 3.225 7.325 -2.605) 8.417 3.272 ( 4.186 -6.002 -1.221) 7.419 3.485 ( 4.573 9.630 -7.299) 12.920 3.674 ( 3.096 0.753 -1.977) 3.749 3.864 ( -1.186 -0.094 -0.305) 1.228 3.991 ( -0.798 -7.660 1.308) 7.811 4.120 ( -4.675 -2.821 1.441) 5.647 4.424 ( -0.154 1.340 0.872) 1.606 4.604 ( -0.148 1.566 0.032) 1.574 4.785 ( 1.571 1.249 -0.188) 2.016 8.501 ( -1.238 1.139 -0.147) 1.688 8.525 ( -0.831 -0.553 1.052) 1.450 8.599 ( 1.019 -0.598 2.244) 2.536 8.732 ( 1.007 -0.553 -1.919) 2.237 8.810 ( 0.246 0.558 -1.122) 1.277 10.189 ( 0.220 -0.858 3.215) 3.335 10.209 ( -0.796 -0.226 0.472) 0.953 10.292 ( 0.647 -0.292 2.207) 2.318 10.340 ( -1.615 -0.260 0.258) 1.657 10.360 ( -0.689 0.313 -1.639) 1.805 ======================= Grid point 94 (48/89) ======================= q-point: (-0.33 0.33 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 148 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.497 ( -1.485 4.515 0.576) 4.787 0.508 ( -2.465 1.895 2.152) 3.781 0.600 ( -0.678 0.130 2.332) 2.432 0.636 ( -0.301 0.642 1.390) 1.560 0.714 ( 1.030 0.364 0.250) 1.121 0.737 ( 3.366 1.824 1.864) 4.258 0.796 ( -1.916 0.353 0.482) 2.007 0.868 ( 1.677 -1.135 -0.062) 2.026 0.951 ( 0.808 1.110 1.991) 2.419 1.022 ( 1.984 -2.141 2.307) 3.721 1.100 ( -0.238 3.747 1.323) 3.980 1.155 ( -0.778 1.999 1.638) 2.699 1.264 ( 0.032 -3.060 1.143) 3.267 1.296 ( -3.824 -1.364 -2.809) 4.937 1.372 ( -0.038 -0.732 -1.129) 1.347 1.424 ( -3.696 -2.645 -1.799) 4.888 1.639 ( 2.976 0.399 2.803) 4.108 1.749 ( 1.854 -3.310 1.004) 3.925 1.882 ( 1.984 -1.770 2.760) 3.833 1.937 ( -1.301 -2.963 2.050) 3.831 1.965 ( -1.229 2.026 5.395) 5.892 2.144 ( 0.219 4.478 -1.894) 4.867 2.274 ( -1.477 -1.479 0.987) 2.311 2.360 ( 4.279 3.137 -2.221) 5.752 2.480 ( 2.434 6.016 -4.268) 7.767 2.509 ( 0.545 -2.746 0.063) 2.800 2.591 ( -3.783 0.997 -4.436) 5.914 2.724 ( 2.197 -1.261 -0.050) 2.533 2.786 ( -2.341 7.039 -5.373) 9.159 2.836 ( -8.073 2.649 -4.101) 9.435 2.991 ( 2.366 4.719 -6.111) 8.075 3.075 ( 2.878 1.039 -0.139) 3.063 3.245 ( 0.541 6.701 -8.326) 10.701 3.463 ( 6.898 -0.555 3.154) 7.605 3.732 ( 1.222 4.852 2.637) 5.656 3.919 ( 5.287 -7.800 -1.126) 9.490 4.074 ( -0.868 -5.396 0.223) 5.470 4.141 ( -1.396 -6.411 2.368) 6.976 4.394 ( -1.092 3.501 0.500) 3.701 4.577 ( -0.699 1.558 -0.046) 1.708 4.766 ( -0.240 3.438 0.284) 3.458 8.476 ( -0.960 0.385 0.476) 1.139 8.533 ( -0.492 -0.888 1.182) 1.558 8.633 ( 0.727 0.087 1.894) 2.031 8.740 ( 0.968 -1.033 -1.916) 2.383 8.791 ( -0.122 1.127 -1.496) 1.877 10.197 ( -1.368 -0.302 -0.856) 1.642 10.219 ( -0.330 -0.371 2.261) 2.315 10.300 ( -0.593 0.713 0.437) 1.025 10.339 ( 0.251 -0.438 -0.892) 1.025 10.366 ( -0.210 -3.153 2.492) 4.024 ======================= Grid point 95 (49/89) ======================= q-point: (-0.17 0.33 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.443 ( -2.821 1.203 1.798) 3.555 0.467 ( -0.943 3.092 5.024) 5.974 0.595 ( -2.185 -0.951 1.508) 2.820 0.657 ( 1.360 -0.080 0.598) 1.487 0.707 ( 0.513 1.833 -0.930) 2.118 0.784 ( 1.704 2.291 1.852) 3.403 0.803 ( 3.266 -0.156 1.719) 3.694 0.874 ( -0.950 0.414 -0.804) 1.312 0.974 ( 1.803 1.131 3.301) 3.927 1.061 ( -0.364 2.514 2.520) 3.578 1.096 ( 1.377 -2.300 0.607) 2.748 1.134 ( 0.424 3.237 -1.086) 3.440 1.201 ( -5.529 -2.039 -1.955) 6.209 1.286 ( -0.876 -1.351 -0.800) 1.799 1.385 ( -5.073 -2.741 -0.396) 5.780 1.411 ( 2.403 -0.845 0.159) 2.552 1.689 ( 1.347 -0.307 1.054) 1.738 1.822 ( 2.195 -3.162 0.002) 3.850 1.896 ( -3.749 0.869 3.240) 5.030 1.939 ( -4.079 1.127 6.041) 7.375 2.031 ( 5.327 -0.343 -1.247) 5.482 2.084 ( 3.392 2.234 -0.921) 4.165 2.252 ( -3.839 -0.136 -1.061) 3.985 2.359 ( 1.567 3.477 -1.967) 4.292 2.376 ( -1.266 5.009 -4.436) 6.810 2.462 ( -4.192 2.544 -5.747) 7.555 2.563 ( -0.452 0.308 -1.162) 1.284 2.622 ( 2.338 1.139 -1.395) 2.951 2.715 ( -0.387 4.573 -3.503) 5.774 2.767 ( 4.436 2.410 0.113) 5.049 2.952 ( 7.000 6.348 -4.154) 10.323 3.090 ( 1.896 3.757 -1.131) 4.358 3.185 ( 0.854 -2.723 -2.821) 4.013 3.603 ( 4.844 -2.581 3.609) 6.569 3.669 ( -3.001 3.305 -0.026) 4.464 4.067 ( 1.938 -0.487 1.131) 2.296 4.133 ( 1.938 -10.170 -1.309) 10.436 4.235 ( 0.991 -6.293 1.073) 6.461 4.315 ( -1.842 6.306 -0.110) 6.570 4.550 ( -1.358 0.975 0.666) 1.799 4.716 ( -0.125 4.466 0.792) 4.537 8.472 ( -0.821 -0.589 1.248) 1.606 8.547 ( -0.491 -0.986 1.249) 1.666 8.642 ( -0.107 0.576 0.329) 0.671 8.754 ( 0.714 -0.446 -2.029) 2.196 8.762 ( 0.406 0.889 -0.905) 1.332 10.166 ( -1.942 -0.154 -0.704) 2.071 10.230 ( -0.398 0.046 1.666) 1.714 10.280 ( -0.596 1.028 -0.481) 1.282 10.352 ( 0.414 -0.963 0.304) 1.092 10.420 ( -1.148 -4.056 1.293) 4.409 ======================= Grid point 99 (50/89) ======================= q-point: ( 0.50 -0.50 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 87 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.548 ( -0.842 0.000 -2.486) 2.625 0.552 ( 2.728 -0.000 -0.857) 2.859 0.589 ( -4.370 0.000 2.970) 5.284 0.638 ( -3.602 0.000 1.353) 3.847 0.719 ( 1.929 0.000 1.192) 2.268 0.759 ( 2.432 0.000 0.961) 2.615 0.799 ( -1.073 0.000 2.755) 2.957 0.847 ( 2.442 0.000 -0.078) 2.443 0.977 ( 2.403 -0.000 2.445) 3.428 0.985 ( 0.092 0.000 2.482) 2.483 1.164 ( 1.641 0.000 3.179) 3.577 1.173 ( -1.055 0.000 -0.609) 1.218 1.231 ( -1.009 0.000 2.756) 2.935 1.269 ( -4.108 0.000 -0.771) 4.179 1.363 ( 1.122 0.000 -1.356) 1.760 1.381 ( -6.158 0.000 -4.696) 7.745 1.651 ( 2.764 0.000 3.760) 4.667 1.703 ( 2.574 0.000 1.025) 2.771 1.844 ( -0.675 0.000 -1.061) 1.258 1.904 ( 0.132 0.000 6.916) 6.917 1.993 ( 0.530 0.000 4.814) 4.843 2.208 ( 0.573 -0.000 3.226) 3.276 2.246 ( -2.341 0.000 -2.595) 3.495 2.395 ( 4.570 0.000 -5.567) 7.203 2.474 ( -1.221 0.000 -0.221) 1.241 2.590 ( -0.279 0.000 0.223) 0.357 2.628 ( 3.407 -0.000 -2.917) 4.485 2.663 ( 0.102 0.000 -2.445) 2.447 2.834 ( -0.137 0.000 -3.656) 3.659 2.896 ( -11.412 0.000 -4.557) 12.289 2.962 ( 0.081 0.000 -1.906) 1.908 3.224 ( 3.327 0.000 -8.689) 9.304 3.229 ( 4.407 -0.000 1.695) 4.722 3.629 ( 2.987 -0.000 -3.346) 4.486 3.676 ( 9.305 0.000 -3.145) 9.822 3.891 ( -2.658 0.000 0.242) 2.668 3.925 ( 1.899 0.000 4.329) 4.727 4.068 ( -1.838 0.000 1.503) 2.374 4.435 ( -0.599 0.000 1.066) 1.223 4.600 ( -1.128 0.000 -0.475) 1.224 4.807 ( -0.020 0.000 0.260) 0.261 8.489 ( -1.590 0.000 0.087) 1.593 8.512 ( -0.331 0.000 0.438) 0.549 8.639 ( 1.250 0.000 3.318) 3.546 8.725 ( 0.778 0.000 -2.344) 2.469 8.804 ( -0.074 0.000 -1.499) 1.501 10.193 ( -1.339 0.000 -0.605) 1.469 10.214 ( 0.202 0.000 3.210) 3.216 10.316 ( 0.308 0.000 2.161) 2.183 10.317 ( -1.492 -0.000 0.825) 1.705 10.340 ( -0.211 0.000 -1.997) 2.008 ======================= Grid point 101 (51/89) ======================= q-point: (-0.33 -0.50 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.490 ( -3.179 2.065 -1.266) 3.997 0.536 ( -0.723 1.417 -0.738) 1.754 0.579 ( -3.217 0.786 3.542) 4.849 0.629 ( 0.607 -2.007 0.087) 2.098 0.749 ( 0.937 1.623 0.392) 1.915 0.785 ( 0.770 -1.118 2.240) 2.620 0.821 ( 1.300 0.485 1.765) 2.245 0.882 ( 1.331 0.142 0.486) 1.424 0.997 ( 0.216 1.088 2.661) 2.883 1.042 ( 1.409 -1.833 1.992) 3.051 1.129 ( -1.977 2.295 -0.072) 3.030 1.162 ( -7.406 -0.959 -2.355) 7.831 1.188 ( -1.596 0.960 1.476) 2.376 1.250 ( 0.792 -1.236 0.987) 1.769 1.320 ( -0.954 -1.921 -1.372) 2.546 1.382 ( 1.615 -1.092 0.049) 1.950 1.704 ( 1.516 1.747 0.731) 2.426 1.760 ( 2.799 -2.477 1.899) 4.192 1.848 ( -0.725 -3.075 -0.587) 3.213 1.932 ( -4.929 -0.052 10.361) 11.474 2.045 ( 2.776 0.979 -0.983) 3.104 2.170 ( -1.315 3.391 -0.258) 3.646 2.248 ( 1.114 -0.584 1.729) 2.138 2.404 ( 0.784 -0.802 -6.749) 6.842 2.464 ( 1.133 1.892 -1.049) 2.442 2.500 ( -3.005 0.691 -4.380) 5.356 2.605 ( 1.328 4.862 0.808) 5.104 2.676 ( -7.381 2.551 -4.318) 8.924 2.741 ( 0.722 -1.907 1.287) 2.411 2.800 ( 0.221 0.837 -3.434) 3.541 2.971 ( -0.129 -4.071 -1.311) 4.279 3.183 ( 7.311 6.011 -6.909) 11.718 3.283 ( 2.048 2.978 -2.222) 4.243 3.594 ( 4.054 5.108 0.059) 6.522 3.801 ( -1.898 4.611 -0.198) 4.990 3.876 ( 6.082 -9.236 -1.301) 11.135 4.040 ( 2.037 -4.276 2.643) 5.424 4.079 ( 0.422 -3.671 -0.659) 3.753 4.420 ( -1.088 2.272 1.142) 2.766 4.573 ( -1.332 0.686 -0.040) 1.499 4.788 ( -1.610 1.535 0.628) 2.312 8.468 ( -1.249 0.170 0.720) 1.452 8.518 ( -0.332 -0.999 0.461) 1.150 8.669 ( 0.601 1.271 1.905) 2.368 8.725 ( 0.804 -1.245 -1.826) 2.352 8.787 ( -0.053 0.590 -1.533) 1.643 10.162 ( -2.035 -0.126 -0.588) 2.122 10.237 ( -0.103 0.380 2.636) 2.665 10.303 ( -0.649 0.824 0.209) 1.070 10.328 ( 0.086 -0.828 -0.474) 0.958 10.345 ( -0.457 -1.987 1.312) 2.425 ======================= Grid point 102 (52/89) ======================= q-point: (-0.17 -0.50 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.405 ( -4.753 0.623 0.197) 4.798 0.519 ( -0.153 0.114 -0.077) 0.206 0.555 ( -3.466 -0.177 4.724) 5.862 0.642 ( -1.488 -1.327 -1.842) 2.714 0.739 ( 1.317 1.222 0.343) 1.829 0.808 ( -0.817 -0.230 -0.815) 1.177 0.850 ( 1.439 -0.307 1.850) 2.364 0.883 ( -0.418 1.415 1.245) 1.931 0.981 ( -5.023 -1.584 -1.825) 5.574 1.036 ( -4.159 0.930 0.143) 4.264 1.085 ( -0.953 -2.054 -1.322) 2.622 1.115 ( 1.858 -0.731 1.275) 2.369 1.209 ( 1.246 0.451 3.478) 3.722 1.288 ( 0.477 0.926 0.199) 1.061 1.304 ( -0.278 -0.547 2.032) 2.122 1.436 ( 2.295 -1.534 0.265) 2.773 1.685 ( -1.577 0.584 -0.850) 1.884 1.834 ( 2.241 -1.369 -0.085) 2.628 1.866 ( -0.991 -2.085 0.240) 2.321 1.937 ( -5.034 0.372 9.308) 10.589 2.028 ( -0.437 -0.597 -4.544) 4.604 2.138 ( 1.562 1.224 -0.916) 2.186 2.244 ( -2.769 2.405 -1.514) 3.968 2.331 ( -5.746 5.992 -4.885) 9.633 2.389 ( 2.463 3.773 -4.231) 6.181 2.441 ( 1.494 -1.094 2.669) 3.248 2.593 ( 1.462 3.816 -0.255) 4.095 2.662 ( 7.277 -2.280 1.079) 7.702 2.731 ( -0.474 2.031 -2.144) 2.992 2.807 ( 0.350 -1.051 1.159) 1.604 3.029 ( 0.060 -6.306 -0.161) 6.309 3.189 ( 7.697 6.171 -3.111) 10.345 3.211 ( 3.609 7.775 -6.160) 10.555 3.589 ( -2.742 -0.734 -2.373) 3.700 3.730 ( 0.944 5.349 1.521) 5.640 3.983 ( -2.128 -6.136 -6.359) 9.089 4.132 ( 5.331 -3.587 1.417) 6.579 4.173 ( 1.540 -7.385 -0.011) 7.544 4.362 ( -1.602 4.775 0.532) 5.064 4.549 ( -1.285 1.303 1.205) 2.191 4.748 ( -1.460 1.495 0.794) 2.235 8.464 ( -0.890 -0.518 1.551) 1.862 8.527 ( -0.719 -1.236 0.007) 1.430 8.659 ( -0.021 1.829 -0.016) 1.829 8.742 ( 0.746 -1.114 -1.428) 1.959 8.771 ( 0.492 0.627 -0.669) 1.041 10.139 ( -1.599 -0.181 1.614) 2.279 10.245 ( -0.251 0.715 1.929) 2.072 10.279 ( -0.436 1.132 -0.789) 1.447 10.344 ( -0.037 -1.307 0.429) 1.376 10.370 ( -1.197 -2.770 0.688) 3.095 ======================= Grid point 107 (53/89) ======================= q-point: (-0.33 -0.33 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 89 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.426 ( -5.473 0.000 -2.593) 6.056 0.498 ( -3.349 0.000 0.506) 3.387 0.570 ( -2.474 0.000 1.950) 3.150 0.629 ( -0.411 0.000 -1.098) 1.172 0.767 ( -0.993 0.000 -0.069) 0.996 0.784 ( -0.608 0.000 1.212) 1.356 0.849 ( 0.570 -0.000 1.220) 1.347 0.879 ( -3.525 0.000 -2.014) 4.060 0.978 ( -4.859 0.000 -0.668) 4.905 1.049 ( -0.096 0.000 0.720) 0.726 1.057 ( -1.960 0.000 2.507) 3.182 1.098 ( -2.769 0.000 -1.242) 3.035 1.198 ( 0.301 -0.000 5.328) 5.337 1.290 ( 3.411 -0.000 1.763) 3.840 1.338 ( 3.078 -0.000 -1.094) 3.267 1.395 ( 0.655 -0.000 1.371) 1.519 1.713 ( -1.875 0.000 -0.928) 2.092 1.797 ( 3.246 -0.000 0.145) 3.249 1.821 ( 0.032 -0.000 -0.197) 0.199 1.942 ( -5.071 0.000 10.620) 11.768 2.032 ( -0.087 0.000 -5.326) 5.327 2.158 ( -0.561 0.000 -0.841) 1.011 2.294 ( -4.337 0.000 -6.473) 7.792 2.379 ( 7.013 -0.000 6.376) 9.478 2.438 ( -9.993 0.000 -3.285) 10.519 2.439 ( 1.807 -0.000 -3.500) 3.939 2.629 ( 7.470 -0.000 0.228) 7.474 2.722 ( 0.647 -0.000 3.573) 3.631 2.724 ( 0.788 -0.000 -2.081) 2.226 2.783 ( 0.385 -0.000 -2.202) 2.235 2.914 ( -2.115 0.000 -0.577) 2.192 3.286 ( 8.998 -0.000 -6.360) 11.019 3.308 ( -0.655 0.000 -0.268) 0.708 3.626 ( -2.309 0.000 -3.257) 3.993 3.791 ( 0.194 -0.000 -7.493) 7.495 3.897 ( 2.706 -0.000 1.928) 3.322 4.031 ( 1.471 -0.000 -1.653) 2.213 4.098 ( 4.659 -0.000 0.136) 4.661 4.422 ( -1.799 0.000 0.646) 1.911 4.567 ( -0.298 0.000 1.343) 1.375 4.763 ( -3.453 0.000 0.698) 3.523 8.458 ( -1.115 0.000 1.221) 1.653 8.511 ( -0.382 0.000 0.058) 0.386 8.701 ( 0.245 -0.000 1.289) 1.313 8.706 ( 0.617 -0.000 -2.296) 2.377 8.782 ( 0.307 -0.000 -0.991) 1.037 10.136 ( -1.644 0.000 2.002) 2.590 10.257 ( -0.266 0.000 2.273) 2.289 10.301 ( -0.218 0.000 -0.925) 0.951 10.322 ( -0.041 0.000 0.621) 0.623 10.330 ( -0.885 0.000 0.585) 1.061 ======================= Grid point 108 (54/89) ======================= q-point: (-0.17 -0.33 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.316 ( -7.118 -0.763 -0.297) 7.165 0.442 ( -6.442 -3.029 -2.192) 7.448 0.557 ( -2.044 0.038 1.419) 2.489 0.575 ( -3.143 -0.314 0.883) 3.279 0.735 ( -4.104 -1.542 -0.088) 4.385 0.776 ( -2.928 -3.516 -0.779) 4.641 0.818 ( 0.637 1.141 -1.156) 1.745 0.869 ( -0.756 -1.450 0.311) 1.664 0.932 ( -2.144 1.329 2.923) 3.861 1.011 ( -2.170 1.069 -2.511) 3.487 1.047 ( -1.639 -0.093 1.068) 1.958 1.103 ( -0.659 -2.465 1.790) 3.117 1.283 ( 4.312 0.036 4.975) 6.584 1.340 ( 2.004 3.696 0.823) 4.284 1.354 ( 3.261 -0.081 0.893) 3.382 1.440 ( 0.848 -2.577 1.402) 3.054 1.651 ( -3.697 1.466 -1.402) 4.217 1.833 ( 1.651 -1.443 -0.422) 2.233 1.853 ( 2.424 -1.966 -1.975) 3.693 1.943 ( -5.106 0.898 8.655) 10.089 1.987 ( 0.814 0.593 -5.269) 5.365 2.117 ( -5.216 1.727 -3.001) 6.261 2.208 ( -1.051 0.201 -0.696) 1.276 2.260 ( -3.590 2.767 -5.265) 6.947 2.443 ( 3.504 -0.050 -0.424) 3.530 2.557 ( 6.823 1.588 5.777) 9.081 2.650 ( -0.804 4.346 -1.371) 4.628 2.720 ( 0.277 0.048 -2.736) 2.751 2.770 ( 4.302 -1.644 0.831) 4.680 2.798 ( 1.041 0.375 1.281) 1.693 2.928 ( -1.895 -7.051 0.749) 7.339 3.247 ( -1.883 4.090 -2.542) 5.171 3.355 ( 7.795 2.377 -4.195) 9.166 3.511 ( -4.542 4.049 -8.791) 10.691 3.671 ( -8.000 -5.580 -12.161) 15.589 3.916 ( 3.049 3.981 -0.262) 5.021 4.103 ( 1.496 -6.905 -0.669) 7.097 4.191 ( 5.728 -2.169 0.820) 6.179 4.381 ( -2.198 2.286 0.930) 3.304 4.568 ( -0.498 2.269 1.231) 2.629 4.718 ( -3.451 -1.351 0.487) 3.737 8.460 ( -0.647 -0.457 1.997) 2.149 8.503 ( -0.859 -0.481 -0.502) 1.105 8.680 ( 0.264 1.999 -0.840) 2.184 8.727 ( 0.629 -1.664 -0.669) 1.901 8.780 ( 0.560 0.345 -0.647) 0.922 10.160 ( 0.909 0.380 5.926) 6.007 10.263 ( -0.387 0.658 1.434) 1.625 10.281 ( -0.255 1.006 -0.961) 1.415 10.327 ( -1.020 -1.639 -0.215) 1.943 10.337 ( -0.042 -0.875 1.499) 1.736 ======================= Grid point 114 (55/89) ======================= q-point: (-0.17 -0.17 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 87 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.209 ( -6.420 0.000 3.028) 7.099 0.280 ( -7.637 0.000 2.211) 7.951 0.532 ( -2.489 0.000 2.526) 3.546 0.573 ( 0.644 -0.000 1.918) 2.023 0.619 ( -8.713 0.000 3.157) 9.267 0.743 ( -0.297 0.000 0.003) 0.297 0.806 ( -2.762 0.000 -0.994) 2.935 0.840 ( -1.321 0.000 -0.558) 1.434 0.945 ( 0.699 -0.000 1.359) 1.528 0.993 ( 1.205 -0.000 -1.211) 1.709 1.026 ( -2.831 0.000 2.301) 3.648 1.090 ( -0.158 0.000 -0.509) 0.533 1.370 ( 2.760 -0.000 0.117) 2.763 1.392 ( 1.595 -0.000 0.098) 1.598 1.435 ( 5.614 -0.000 3.078) 6.402 1.439 ( -0.855 0.000 4.229) 4.314 1.583 ( -5.347 0.000 -1.445) 5.539 1.851 ( 3.661 -0.000 -5.007) 6.202 1.855 ( 1.994 -0.000 -0.130) 1.999 1.940 ( -5.261 0.000 7.871) 9.468 1.981 ( 2.537 -0.000 -5.671) 6.212 2.020 ( -6.306 0.000 -2.520) 6.791 2.163 ( -0.237 0.000 -2.858) 2.867 2.263 ( 1.839 -0.000 0.428) 1.888 2.468 ( -3.270 0.000 -5.239) 6.176 2.577 ( -8.195 0.000 -10.982) 13.703 2.668 ( -1.242 0.000 0.868) 1.515 2.684 ( -2.675 0.000 1.599) 3.116 2.738 ( 2.656 -0.000 -2.255) 3.484 2.846 ( -1.538 0.000 2.800) 3.195 2.887 ( 0.701 -0.000 1.197) 1.387 3.105 ( -13.177 0.000 -12.105) 17.893 3.310 ( -6.511 0.000 -5.711) 8.661 3.423 ( 3.891 -0.000 -1.909) 4.334 3.562 ( 3.550 -0.000 -0.317) 3.564 4.030 ( 4.084 -0.000 1.336) 4.297 4.051 ( 1.225 -0.000 -2.074) 2.409 4.266 ( 5.425 -0.000 0.808) 5.485 4.373 ( -2.103 0.000 1.752) 2.737 4.589 ( -0.526 0.000 -0.281) 0.596 4.637 ( -5.326 0.000 0.385) 5.340 8.468 ( -0.227 0.000 2.560) 2.570 8.488 ( -0.408 0.000 0.156) 0.437 8.695 ( 0.778 -0.000 -1.636) 1.811 8.717 ( 0.194 -0.000 0.409) 0.452 8.783 ( 0.521 -0.000 -1.257) 1.361 10.246 ( 2.176 -0.000 2.712) 3.477 10.264 ( -0.574 0.000 -0.007) 0.574 10.289 ( -1.860 0.000 -0.266) 1.879 10.293 ( 1.662 -0.000 1.227) 2.066 10.378 ( 3.810 -0.000 4.941) 6.239 ======================= Grid point 115 (56/89) ======================= q-point: ( 0.00 0.00 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.480 ( 2.657 -0.000 6.706) 7.213 0.521 ( 0.650 -0.000 4.099) 4.150 0.594 ( -1.380 0.000 1.598) 2.112 0.632 ( -0.376 0.000 -0.813) 0.896 0.652 ( -0.938 0.000 -0.299) 0.984 0.722 ( -0.803 0.000 2.656) 2.775 0.818 ( 3.381 -0.000 1.113) 3.560 0.874 ( -0.922 0.000 0.808) 1.226 0.954 ( 0.863 -0.000 -3.084) 3.202 0.960 ( 1.021 -0.000 3.897) 4.028 1.082 ( -0.577 0.000 2.040) 2.120 1.151 ( 3.094 -0.000 2.122) 3.752 1.247 ( -2.302 0.000 -4.630) 5.171 1.314 ( -2.804 0.000 -2.235) 3.586 1.390 ( -0.449 0.000 -2.526) 2.565 1.499 ( -3.919 0.000 2.488) 4.642 1.713 ( 1.338 -0.000 2.734) 3.044 1.737 ( 2.541 -0.000 -4.577) 5.235 1.815 ( 0.458 -0.000 -0.362) 0.584 1.880 ( 3.547 -0.000 2.247) 4.199 1.968 ( 8.259 -0.000 -1.117) 8.334 2.080 ( 3.205 -0.000 0.240) 3.214 2.166 ( -5.023 0.000 6.456) 8.180 2.230 ( 4.111 -0.000 2.597) 4.862 2.286 ( -5.121 0.000 -8.055) 9.545 2.365 ( 3.874 -0.000 1.058) 4.016 2.485 ( -10.611 0.000 -3.134) 11.064 2.596 ( 0.447 -0.000 -0.443) 0.629 2.688 ( 0.548 -0.000 -3.156) 3.203 2.735 ( -3.402 0.000 3.368) 4.787 2.863 ( -1.072 0.000 -0.436) 1.157 2.915 ( 2.512 -0.000 -3.238) 4.098 3.338 ( 1.501 -0.000 2.021) 2.517 3.499 ( 0.749 -0.000 -0.301) 0.807 3.869 ( 3.092 -0.000 6.123) 6.859 3.996 ( -0.174 0.000 -1.196) 1.209 4.132 ( 1.333 -0.000 -1.793) 2.234 4.356 ( -0.862 0.000 0.002) 0.862 4.422 ( 1.002 -0.000 1.110) 1.496 4.517 ( -0.662 0.000 -0.687) 0.954 4.555 ( -0.509 0.000 0.432) 0.667 8.530 ( -0.232 0.000 2.029) 2.042 8.579 ( 0.010 -0.000 2.307) 2.307 8.667 ( 0.894 -0.000 -1.318) 1.592 8.669 ( -1.535 0.000 -2.941) 3.317 8.742 ( 1.127 -0.000 -0.592) 1.273 10.179 ( -1.042 0.000 -0.831) 1.333 10.252 ( -0.902 0.000 0.090) 0.906 10.268 ( -0.301 0.000 0.617) 0.687 10.383 ( 0.587 -0.000 2.102) 2.183 10.503 ( 0.347 -0.000 -2.615) 2.638 ======================= Grid point 116 (57/89) ======================= q-point: ( 0.17 0.00 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.525 ( -2.078 1.330 2.950) 3.845 0.543 ( 0.060 0.370 3.614) 3.634 0.616 ( 0.377 0.158 0.117) 0.425 0.649 ( 2.406 -1.516 -0.243) 2.854 0.685 ( 2.939 -3.148 0.938) 4.408 0.747 ( 1.849 0.268 2.541) 3.154 0.812 ( -2.069 0.246 -2.055) 2.926 0.872 ( -0.720 -0.817 1.668) 1.992 0.966 ( 1.266 -2.489 -2.953) 4.064 1.020 ( 0.172 -1.095 1.588) 1.937 1.116 ( 2.800 0.510 4.395) 5.236 1.155 ( -2.140 1.384 -2.899) 3.859 1.170 ( -2.848 0.566 -2.105) 3.586 1.282 ( 0.179 -0.363 0.689) 0.800 1.381 ( 1.824 0.544 -1.758) 2.591 1.465 ( -4.058 -0.704 2.952) 5.067 1.729 ( -0.362 1.211 0.572) 1.387 1.771 ( 2.077 -3.219 -2.705) 4.689 1.860 ( 2.794 -4.004 -0.949) 4.973 1.891 ( -0.088 1.401 -2.221) 2.627 2.068 ( 0.354 0.181 -1.911) 1.952 2.101 ( -0.560 -1.778 -3.329) 3.816 2.150 ( -0.242 -0.695 3.793) 3.863 2.218 ( -7.081 -1.045 -1.590) 7.332 2.270 ( 5.281 -4.244 -0.034) 6.775 2.372 ( 1.279 -0.174 -0.609) 1.427 2.481 ( 6.548 1.995 2.785) 7.390 2.595 ( -0.712 -0.865 -0.624) 1.282 2.683 ( 5.004 1.724 -0.696) 5.338 2.764 ( 1.690 -1.924 3.912) 4.676 2.860 ( -0.435 -1.331 -0.163) 1.410 2.937 ( 2.616 -2.245 -3.745) 5.089 3.316 ( 0.211 6.428 -0.048) 6.432 3.527 ( -1.760 -5.408 -0.389) 5.700 3.836 ( -0.127 9.398 1.219) 9.477 4.058 ( -0.886 -5.090 1.966) 5.528 4.114 ( -2.954 -4.202 -4.237) 6.658 4.330 ( -0.764 4.171 0.264) 4.248 4.370 ( 1.977 5.863 0.465) 6.205 4.547 ( -0.794 -0.532 0.061) 0.958 4.602 ( 2.720 -5.660 0.411) 6.293 8.537 ( -0.496 0.949 2.656) 2.864 8.589 ( -0.854 0.416 0.895) 1.305 8.618 ( -1.162 0.250 -1.999) 2.325 8.681 ( 0.747 -1.421 -1.476) 2.180 8.755 ( 1.440 0.159 -0.632) 1.581 10.166 ( -0.580 -0.246 0.411) 0.753 10.248 ( -0.218 -0.284 0.645) 0.738 10.265 ( -0.770 -0.090 0.510) 0.928 10.398 ( -0.229 0.623 1.975) 2.084 10.467 ( -1.068 1.322 -2.542) 3.058 ======================= Grid point 117 (58/89) ======================= q-point: (-0.67 0.00 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.500 ( -1.181 2.619 3.083) 4.214 0.546 ( -0.806 1.606 1.569) 2.385 0.623 ( -0.240 -1.336 1.378) 1.934 0.670 ( -0.201 2.638 -1.181) 2.897 0.749 ( 0.124 -1.094 -0.602) 1.254 0.767 ( 1.688 0.126 0.675) 1.822 0.832 ( 3.282 -3.618 0.782) 4.947 0.885 ( -1.162 -0.559 1.842) 2.248 0.937 ( -4.042 0.123 -4.882) 6.340 1.008 ( -3.577 -1.040 -0.664) 3.784 1.092 ( -2.206 1.056 -1.477) 2.857 1.131 ( 0.864 -3.804 -0.641) 3.954 1.206 ( 4.288 1.790 3.282) 5.689 1.313 ( 1.562 -0.472 1.227) 2.042 1.384 ( 0.786 2.186 1.442) 2.734 1.459 ( -0.863 -1.296 2.376) 2.841 1.684 ( -2.677 1.750 -1.062) 3.369 1.806 ( 0.643 -1.373 -3.041) 3.398 1.836 ( -2.333 -1.406 -1.829) 3.281 1.950 ( 0.686 -4.257 -1.324) 4.511 2.026 ( -4.017 -4.586 -3.449) 7.005 2.050 ( -2.225 3.529 0.022) 4.172 2.140 ( -1.423 -1.501 -0.277) 2.086 2.242 ( 3.944 -3.674 3.892) 6.648 2.377 ( 0.292 0.515 -0.613) 0.853 2.422 ( 5.943 1.852 1.984) 6.533 2.541 ( 5.136 -0.920 -0.772) 5.275 2.616 ( 1.036 -2.907 -0.637) 3.152 2.767 ( 5.067 1.193 3.067) 6.042 2.848 ( 1.170 0.716 -0.310) 1.407 2.903 ( 4.983 -5.087 -1.306) 7.239 3.016 ( 6.184 -5.328 -0.495) 8.177 3.223 ( -0.567 7.492 -0.681) 7.544 3.516 ( -5.802 -2.198 -3.230) 6.995 3.736 ( -1.433 5.102 -1.334) 5.464 3.978 ( -5.002 3.616 -3.856) 7.278 4.151 ( -2.657 -6.455 -1.151) 7.075 4.284 ( 0.784 2.640 1.773) 3.275 4.364 ( 2.769 3.758 0.877) 4.750 4.537 ( -0.624 0.151 -0.055) 0.645 4.696 ( 1.852 -3.647 0.100) 4.092 8.537 ( -0.447 1.268 2.088) 2.484 8.551 ( -1.573 1.530 -0.014) 2.194 8.612 ( -0.484 -1.433 -0.305) 1.543 8.698 ( 0.876 -1.246 -1.461) 2.110 8.767 ( 1.231 0.423 -0.652) 1.456 10.177 ( 0.254 -0.778 1.752) 1.933 10.257 ( -1.005 -0.191 0.436) 1.112 10.262 ( 0.370 -0.540 1.292) 1.449 10.393 ( -0.879 1.066 1.318) 1.910 10.411 ( -1.462 1.707 -2.067) 3.053 ======================= Grid point 118 (59/89) ======================= q-point: (-0.50 0.00 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.475 ( -0.932 4.516 4.685) 6.573 0.507 ( -1.869 3.529 0.793) 4.071 0.589 ( -2.977 1.578 -0.630) 3.427 0.652 ( -0.424 -0.443 3.047) 3.108 0.744 ( 0.874 -0.293 -2.354) 2.528 0.815 ( -2.324 2.568 -0.766) 3.548 0.835 ( 2.107 1.025 0.448) 2.386 0.885 ( -3.047 -1.401 1.053) 3.515 0.910 ( 1.948 -2.221 -0.113) 2.956 0.936 ( -3.786 -0.223 -2.167) 4.368 1.064 ( -0.860 0.113 0.567) 1.036 1.206 ( 1.161 -1.019 -0.850) 1.763 1.222 ( 0.187 -0.221 1.749) 1.773 1.345 ( 0.767 -1.146 -0.201) 1.394 1.410 ( 2.605 0.788 3.926) 4.777 1.493 ( 1.322 -0.647 1.486) 2.091 1.610 ( -3.497 0.858 -1.292) 3.825 1.776 ( -0.539 -1.441 -3.747) 4.051 1.848 ( 0.674 -1.758 -0.836) 2.060 1.925 ( -3.908 -1.456 -1.528) 4.441 1.975 ( -1.444 4.303 -0.066) 4.539 2.068 ( 3.513 -3.461 -3.478) 6.035 2.149 ( -2.404 -1.189 4.851) 5.543 2.291 ( 0.402 4.552 1.321) 4.757 2.442 ( 1.306 -6.070 0.488) 6.228 2.475 ( 4.534 0.313 0.918) 4.636 2.626 ( 3.588 -0.642 1.573) 3.970 2.651 ( 0.058 -2.023 -1.707) 2.647 2.800 ( -1.612 1.914 -1.803) 3.084 2.858 ( 4.773 2.424 0.038) 5.353 3.007 ( 1.019 -5.865 -3.640) 6.978 3.103 ( 0.586 3.208 1.286) 3.505 3.235 ( 8.250 -3.167 0.096) 8.838 3.345 ( -8.879 5.058 -6.727) 12.234 3.618 ( -5.184 1.990 -3.829) 6.745 3.888 ( -0.076 0.902 0.275) 0.946 4.149 ( -0.918 -0.842 -1.473) 1.928 4.306 ( 0.346 -0.637 2.190) 2.307 4.366 ( 1.310 2.028 0.717) 2.518 4.528 ( -0.501 -0.320 -0.149) 0.613 4.733 ( 0.021 -0.344 -0.234) 0.417 8.509 ( -0.985 0.863 -0.451) 1.385 8.542 ( -0.488 1.190 3.111) 3.367 8.625 ( 0.075 -1.411 -0.049) 1.414 8.711 ( 0.848 -1.003 -1.710) 2.156 8.768 ( 0.663 0.772 -0.871) 1.339 10.217 ( 0.986 -1.405 1.851) 2.525 10.250 ( -0.933 -0.544 0.562) 1.217 10.286 ( 0.694 -0.102 1.067) 1.277 10.355 ( -1.122 1.328 -1.410) 2.238 10.383 ( -0.442 0.440 1.409) 1.541 ======================= Grid point 119 (60/89) ======================= q-point: (-0.33 0.00 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.446 ( -0.659 5.716 3.995) 7.004 0.457 ( 0.035 4.363 6.995) 8.244 0.577 ( 0.371 -1.678 2.083) 2.700 0.656 ( -1.490 1.142 2.984) 3.526 0.701 ( -3.324 1.312 -0.693) 3.641 0.777 ( -1.291 1.150 0.045) 1.730 0.811 ( -1.155 3.134 -0.831) 3.441 0.851 ( -1.572 -0.358 0.389) 1.659 0.926 ( 0.403 -0.955 -0.195) 1.055 0.964 ( 3.413 -0.874 0.165) 3.527 1.063 ( -0.407 -0.131 1.055) 1.139 1.139 ( -2.353 4.165 0.173) 4.787 1.290 ( 1.159 -3.523 -1.311) 3.934 1.359 ( -0.063 -1.675 -1.386) 2.175 1.458 ( -0.631 -0.895 0.964) 1.459 1.518 ( -0.601 -0.496 0.108) 0.787 1.580 ( 1.427 -0.049 2.669) 3.027 1.782 ( 1.938 -1.704 -2.602) 3.664 1.846 ( -3.122 -0.493 -2.518) 4.041 1.900 ( 3.209 2.976 0.447) 4.399 1.912 ( 1.191 3.048 -0.450) 3.303 2.099 ( -0.955 0.431 0.495) 1.159 2.177 ( 0.518 -0.546 1.421) 1.608 2.273 ( 1.326 1.999 2.156) 3.225 2.392 ( -7.659 4.663 -7.192) 11.495 2.539 ( -0.711 0.560 1.220) 1.519 2.616 ( -1.230 0.580 -3.598) 3.846 2.644 ( -2.531 1.138 -4.462) 5.254 2.734 ( -0.129 -0.729 2.645) 2.746 2.868 ( -0.207 0.441 -1.116) 1.217 2.939 ( -3.820 2.710 -2.278) 5.208 3.078 ( -6.868 5.576 -2.158) 9.105 3.199 ( 0.637 -4.821 0.083) 4.863 3.375 ( 5.440 -3.046 1.218) 6.353 3.595 ( 4.445 -0.110 2.294) 5.003 3.927 ( 2.282 -3.066 0.453) 3.849 4.136 ( 1.265 2.023 -0.746) 2.500 4.323 ( 1.229 1.371 0.812) 2.012 4.369 ( -1.620 -2.022 0.774) 2.704 4.530 ( -0.395 -1.054 -0.003) 1.126 4.701 ( -1.888 2.913 -0.329) 3.487 8.496 ( -0.329 -0.145 0.799) 0.876 8.549 ( -0.076 0.940 2.874) 3.025 8.643 ( 0.468 -1.150 -0.345) 1.288 8.720 ( 0.914 -0.777 -2.095) 2.415 8.754 ( -0.119 1.090 -0.961) 1.458 10.232 ( -0.868 -0.285 -0.642) 1.117 10.259 ( -0.517 -0.691 0.818) 1.188 10.290 ( 0.160 0.420 -0.296) 0.538 10.331 ( 0.122 0.539 0.385) 0.673 10.420 ( 2.359 -2.017 1.725) 3.551 ======================= Grid point 120 (61/89) ======================= q-point: (-0.17 0.00 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.422 ( 0.652 4.403 6.933) 8.239 0.478 ( 0.745 1.982 5.722) 6.101 0.618 ( -3.495 -0.801 2.570) 4.411 0.647 ( -0.847 0.932 0.237) 1.281 0.696 ( 4.316 -0.688 4.967) 6.616 0.708 ( -2.585 2.915 -0.960) 4.012 0.753 ( -2.493 0.911 1.380) 2.992 0.867 ( 0.633 -0.336 1.048) 1.270 0.938 ( 0.409 -0.366 0.024) 0.549 0.994 ( 1.016 2.533 -2.001) 3.384 1.082 ( 0.770 -0.033 2.015) 2.158 1.084 ( 0.281 0.442 1.347) 1.446 1.297 ( -0.472 -0.650 -3.901) 3.983 1.357 ( -1.191 -1.087 -1.966) 2.543 1.427 ( -2.898 -1.016 -1.928) 3.627 1.521 ( -1.379 -0.692 1.686) 2.286 1.653 ( 2.752 -0.801 3.443) 4.480 1.776 ( 2.072 4.473 -3.614) 6.112 1.817 ( 0.296 -0.516 1.741) 1.839 1.893 ( 2.468 1.599 -2.697) 3.990 1.941 ( -6.977 6.615 -2.287) 9.883 1.990 ( 5.813 1.541 2.133) 6.381 2.185 ( 2.551 2.344 -1.463) 3.761 2.196 ( -5.472 0.723 5.796) 8.004 2.309 ( 2.257 -0.375 0.914) 2.464 2.445 ( -5.138 2.836 -5.219) 7.854 2.597 ( -0.119 0.307 -1.087) 1.136 2.607 ( -3.699 -4.530 -2.155) 6.233 2.738 ( -4.561 -1.130 -0.759) 4.759 2.795 ( -5.489 2.799 -0.624) 6.193 2.875 ( 0.059 -0.195 -0.742) 0.770 2.944 ( -1.607 3.477 -1.984) 4.314 3.269 ( 1.339 -4.014 1.659) 4.545 3.480 ( 4.142 1.178 1.269) 4.489 3.723 ( 4.775 -4.020 5.275) 8.172 3.999 ( 2.592 -0.792 -0.217) 2.719 4.126 ( 2.732 3.489 -0.592) 4.471 4.346 ( 0.931 -2.458 0.075) 2.629 4.374 ( -1.778 -2.355 0.698) 3.033 4.538 ( -0.354 -0.883 0.206) 0.974 4.615 ( -2.761 4.941 -0.274) 5.667 8.511 ( 0.080 -0.762 1.556) 1.734 8.562 ( 0.141 0.704 2.761) 2.852 8.657 ( 0.509 -1.042 -1.129) 1.619 8.715 ( 0.157 0.511 -3.447) 3.488 8.734 ( 0.047 0.324 0.180) 0.374 10.206 ( -1.257 0.108 -1.505) 1.964 10.261 ( -0.571 -0.364 0.671) 0.953 10.274 ( -0.791 0.626 -0.190) 1.026 10.352 ( 1.117 -0.319 1.635) 2.006 10.488 ( 2.385 -1.846 -1.083) 3.204 ======================= Grid point 122 (62/89) ======================= q-point: ( 0.17 0.17 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.542 ( -0.013 0.000 1.909) 1.909 0.565 ( -0.123 0.000 4.090) 4.092 0.596 ( -0.725 0.000 -2.800) 2.893 0.699 ( 3.590 -0.000 0.799) 3.678 0.731 ( 4.169 -0.000 0.606) 4.213 0.744 ( -4.370 0.000 -1.780) 4.718 0.815 ( 3.356 -0.000 2.030) 3.922 0.870 ( -0.051 0.000 1.526) 1.527 0.945 ( -0.048 0.000 -2.929) 2.929 0.978 ( -4.342 0.000 -1.779) 4.692 1.092 ( -1.857 0.000 -1.697) 2.516 1.106 ( -3.105 0.000 -1.967) 3.676 1.230 ( 5.435 -0.000 3.444) 6.435 1.307 ( 1.077 -0.000 1.651) 1.971 1.418 ( 3.577 -0.000 0.295) 3.589 1.428 ( -3.777 0.000 4.022) 5.518 1.717 ( -2.297 0.000 -1.205) 2.594 1.763 ( -0.137 0.000 -1.439) 1.446 1.831 ( -3.199 0.000 -4.624) 5.623 1.890 ( 4.879 -0.000 -1.189) 5.021 1.957 ( -6.040 0.000 -1.364) 6.192 2.095 ( 3.508 -0.000 -3.848) 5.207 2.150 ( -1.145 0.000 -2.139) 2.426 2.199 ( 0.580 -0.000 7.648) 7.670 2.378 ( 9.618 -0.000 0.581) 9.636 2.390 ( 2.822 -0.000 -2.798) 3.974 2.563 ( -1.825 0.000 0.661) 1.941 2.586 ( 1.220 -0.000 1.429) 1.879 2.812 ( 10.854 -0.000 2.474) 11.133 2.830 ( 4.087 -0.000 1.791) 4.462 2.854 ( 0.874 -0.000 0.738) 1.144 2.942 ( 4.386 -0.000 -3.033) 5.333 3.361 ( -0.169 0.000 -1.414) 1.424 3.431 ( -4.600 0.000 -1.050) 4.718 3.924 ( -3.244 0.000 -4.969) 5.935 3.935 ( -2.596 0.000 0.402) 2.627 4.028 ( -3.322 0.000 -0.283) 3.334 4.330 ( -3.446 0.000 -0.007) 3.446 4.406 ( 0.128 -0.000 0.273) 0.301 4.585 ( 1.310 -0.000 0.389) 1.367 4.607 ( 5.431 -0.000 0.180) 5.434 8.561 ( -0.378 0.000 3.589) 3.609 8.578 ( -1.626 0.000 -2.078) 2.638 8.581 ( -1.258 0.000 0.410) 1.323 8.678 ( 1.244 -0.000 -1.455) 1.914 8.773 ( 1.545 -0.000 -0.842) 1.760 10.168 ( 0.057 -0.000 1.401) 1.402 10.255 ( -1.121 0.000 0.589) 1.266 10.255 ( 0.424 -0.000 1.336) 1.402 10.406 ( -1.118 0.000 1.521) 1.888 10.433 ( -1.723 0.000 -2.645) 3.157 ======================= Grid point 123 (63/89) ======================= q-point: (-0.67 0.17 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.537 ( 0.027 1.535 -0.920) 1.790 0.574 ( 0.267 0.885 0.724) 1.175 0.608 ( -0.461 -0.794 1.875) 2.087 0.660 ( -1.881 1.510 -0.543) 2.472 0.747 ( 1.476 0.644 -0.019) 1.610 0.791 ( 0.899 -2.325 0.168) 2.498 0.840 ( -2.559 -0.294 -3.658) 4.474 0.880 ( 0.922 0.604 1.059) 1.528 0.890 ( -0.379 0.449 0.264) 0.644 0.932 ( -2.194 -0.754 0.490) 2.371 1.071 ( -0.453 0.306 0.110) 0.558 1.105 ( 1.965 -3.039 -0.455) 3.648 1.297 ( 2.146 2.456 1.095) 3.440 1.327 ( 0.191 -0.386 0.984) 1.074 1.414 ( -2.440 -0.758 3.590) 4.406 1.482 ( 3.760 0.349 1.375) 4.019 1.644 ( -3.849 1.630 -1.912) 4.596 1.744 ( -4.093 -4.116 -0.483) 5.824 1.770 ( -0.844 0.496 -2.195) 2.403 1.885 ( -0.079 -2.709 -1.438) 3.068 2.015 ( 6.883 -0.101 -0.013) 6.884 2.101 ( 1.361 3.957 -0.526) 4.217 2.131 ( -0.122 -0.063 2.397) 2.401 2.314 ( 5.347 -2.046 5.018) 7.613 2.369 ( 1.054 1.979 -3.953) 4.545 2.514 ( 1.109 -6.944 -0.892) 7.088 2.557 ( 1.526 3.042 0.971) 3.540 2.609 ( 2.876 -1.117 0.589) 3.141 2.841 ( 0.287 1.092 -2.019) 2.313 2.903 ( 2.873 -1.629 0.057) 3.304 2.939 ( 7.358 4.823 0.251) 8.801 3.075 ( 8.073 -5.433 0.579) 9.748 3.285 ( -1.557 5.481 -0.619) 5.731 3.385 ( -3.997 -2.071 -2.937) 5.375 3.723 ( -5.845 6.558 -7.495) 11.548 3.920 ( -2.871 0.262 -0.600) 2.944 4.039 ( -1.833 -5.887 1.147) 6.272 4.267 ( -4.552 -1.211 -0.135) 4.712 4.415 ( 0.943 1.028 0.512) 1.486 4.580 ( 1.673 3.186 0.037) 3.599 4.702 ( 3.644 -1.927 0.145) 4.125 8.535 ( -1.220 1.183 -1.081) 2.014 8.563 ( -1.222 0.266 1.432) 1.901 8.594 ( 0.021 -0.864 2.508) 2.652 8.687 ( 1.120 -0.754 -1.976) 2.393 8.783 ( 1.132 0.381 -1.112) 1.632 10.190 ( 0.648 -0.655 2.098) 2.291 10.243 ( -1.146 -0.090 0.662) 1.326 10.280 ( 0.898 -0.242 1.857) 2.076 10.380 ( -1.568 0.617 -2.529) 3.039 10.395 ( -1.678 0.372 0.943) 1.960 ======================= Grid point 124 (64/89) ======================= q-point: (-0.50 0.17 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.514 ( -0.152 0.521 -1.430) 1.530 0.559 ( -0.786 1.067 1.164) 1.764 0.591 ( 0.830 4.161 3.456) 5.472 0.662 ( -0.038 0.242 0.627) 0.673 0.722 ( -1.790 0.831 -1.192) 2.305 0.787 ( -3.246 -0.835 0.549) 3.396 0.814 ( 0.022 -1.718 -0.933) 1.955 0.868 ( -1.847 0.328 0.724) 2.011 0.912 ( 2.002 -0.046 0.748) 2.138 0.958 ( 3.420 0.521 1.440) 3.748 1.070 ( 0.478 0.833 0.866) 1.293 1.188 ( 2.901 -4.334 -0.401) 5.231 1.252 ( -2.623 4.729 1.112) 5.521 1.329 ( -0.821 -0.689 -0.452) 1.163 1.433 ( -0.991 -1.737 1.894) 2.754 1.504 ( -1.832 -0.166 -2.249) 2.905 1.588 ( 0.814 0.815 1.564) 1.942 1.751 ( -2.135 -4.287 1.311) 4.966 1.765 ( 2.560 0.258 -0.896) 2.724 1.937 ( 1.073 -3.123 0.514) 3.342 2.055 ( 3.478 5.162 -1.870) 6.500 2.100 ( 3.663 1.987 1.106) 4.312 2.167 ( 2.471 1.387 4.535) 5.348 2.306 ( -1.748 0.462 -3.179) 3.658 2.428 ( 1.644 -0.922 0.198) 1.895 2.518 ( -1.889 0.853 0.740) 2.201 2.614 ( 2.489 -2.691 0.323) 3.680 2.660 ( 1.074 -0.453 -1.968) 2.287 2.795 ( -0.871 2.587 -3.131) 4.153 2.935 ( 1.621 5.279 -3.240) 6.402 2.964 ( 1.671 -1.674 -0.232) 2.377 3.140 ( -4.694 2.635 0.446) 5.402 3.241 ( -1.444 2.553 -7.070) 7.654 3.293 ( 2.062 0.729 0.220) 2.198 3.608 ( 3.585 0.539 0.293) 3.637 3.884 ( -1.105 -0.238 0.104) 1.135 4.092 ( -0.824 -5.094 0.428) 5.178 4.242 ( -3.994 -4.942 0.343) 6.363 4.408 ( 0.242 2.397 0.127) 2.413 4.565 ( 1.370 2.941 -0.117) 3.247 4.747 ( 1.470 0.940 0.088) 1.747 8.504 ( -0.790 0.783 0.010) 1.113 8.559 ( -0.831 -0.386 1.193) 1.504 8.624 ( 0.506 -0.150 2.299) 2.359 8.696 ( 1.020 -1.040 -2.260) 2.688 8.778 ( 0.465 0.814 -1.391) 1.677 10.225 ( 0.101 -0.508 1.096) 1.212 10.236 ( -0.685 -0.689 1.312) 1.632 10.304 ( 0.569 0.447 0.272) 0.773 10.339 ( -0.694 0.146 -1.075) 1.288 10.383 ( -0.692 -0.869 1.176) 1.618 ======================= Grid point 125 (65/89) ======================= q-point: (-0.33 0.17 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.487 ( -0.878 1.820 1.269) 2.386 0.563 ( -2.065 0.181 1.920) 2.825 0.606 ( 2.628 2.489 3.867) 5.297 0.654 ( -0.853 0.208 0.869) 1.236 0.699 ( 1.955 0.917 1.172) 2.457 0.738 ( -3.508 0.157 0.443) 3.539 0.817 ( -1.946 2.512 0.522) 3.220 0.857 ( 1.415 -0.403 0.692) 1.626 0.945 ( 1.634 0.597 1.430) 2.252 1.026 ( 4.164 -0.434 1.299) 4.384 1.075 ( 0.551 0.869 1.016) 1.446 1.157 ( -2.916 4.959 0.618) 5.786 1.260 ( 1.697 -2.637 -2.505) 4.014 1.318 ( -1.561 -1.658 -1.168) 2.559 1.404 ( -3.751 -0.674 -2.243) 4.423 1.483 ( -1.334 -2.537 0.383) 2.892 1.637 ( 2.469 -0.344 2.725) 3.693 1.792 ( 0.134 -2.808 1.617) 3.243 1.826 ( 6.121 0.182 0.571) 6.150 1.942 ( -0.296 2.483 -0.935) 2.669 2.054 ( 2.866 3.980 0.545) 4.935 2.107 ( -1.455 2.621 3.183) 4.372 2.220 ( 4.548 1.182 -3.906) 6.110 2.260 ( 0.013 3.365 1.428) 3.656 2.420 ( -2.259 -0.671 -2.069) 3.136 2.464 ( 0.125 6.811 -1.664) 7.012 2.573 ( -4.655 2.630 -5.835) 7.914 2.591 ( -2.882 1.355 -3.841) 4.990 2.753 ( -0.533 0.944 2.001) 2.275 2.869 ( -0.822 3.172 -2.434) 4.082 2.884 ( -6.707 2.904 -1.912) 7.555 3.057 ( -1.446 4.658 -0.516) 4.905 3.151 ( 0.423 -3.827 -1.908) 4.297 3.445 ( 7.230 -4.078 4.121) 9.267 3.690 ( 3.455 1.956 2.380) 4.629 3.928 ( 3.606 -4.979 0.456) 6.164 4.141 ( 0.199 -3.590 0.429) 3.621 4.261 ( -2.855 -5.984 0.082) 6.631 4.363 ( -1.257 3.687 -0.774) 3.972 4.555 ( 1.061 1.688 0.129) 1.998 4.726 ( -0.246 4.006 0.231) 4.020 8.497 ( -0.353 -0.214 1.156) 1.227 8.566 ( -0.398 -0.719 1.288) 1.528 8.642 ( 0.263 0.169 0.481) 0.574 8.708 ( 1.259 -0.824 -1.973) 2.481 8.757 ( -0.163 1.175 -1.208) 1.692 10.210 ( -1.359 0.217 -0.606) 1.504 10.254 ( -0.496 -0.307 1.422) 1.537 10.292 ( -0.243 0.828 -0.840) 1.204 10.340 ( 0.440 -0.606 0.861) 1.141 10.423 ( 0.995 -3.118 0.558) 3.320 ======================= Grid point 126 (66/89) ======================= q-point: (-0.17 0.17 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.491 ( 0.482 0.056 4.021) 4.050 0.537 ( -2.933 -0.114 2.281) 3.717 0.617 ( 0.838 2.605 1.979) 3.377 0.641 ( 0.375 0.696 -0.621) 1.005 0.698 ( -1.607 0.548 0.714) 1.842 0.746 ( -0.264 3.555 1.132) 3.741 0.797 ( 3.181 -0.677 2.443) 4.068 0.875 ( -0.158 0.365 0.927) 1.009 0.970 ( 1.997 1.411 1.796) 3.034 1.041 ( 0.507 5.069 -1.060) 5.203 1.089 ( -1.281 1.103 1.750) 2.433 1.118 ( 2.410 -2.283 1.652) 3.708 1.236 ( -2.660 -0.984 -4.505) 5.323 1.304 ( -1.847 -1.058 -1.641) 2.688 1.372 ( 0.004 -1.221 -1.942) 2.294 1.492 ( -2.323 -1.624 1.427) 3.174 1.695 ( 1.628 -1.037 1.815) 2.650 1.843 ( 2.713 -0.478 -0.296) 2.771 1.859 ( -1.085 5.080 0.381) 5.209 1.919 ( -1.320 5.582 -2.701) 6.340 1.977 ( 6.576 2.004 1.451) 7.026 2.117 ( 1.044 1.117 2.612) 3.026 2.197 ( 0.435 3.022 -1.262) 3.303 2.275 ( 4.549 3.997 1.734) 6.299 2.321 ( -4.814 2.233 -3.766) 6.507 2.400 ( 1.867 2.652 -1.322) 3.502 2.458 ( -5.561 1.261 -2.908) 6.401 2.592 ( 2.652 -2.945 -0.531) 3.999 2.659 ( -5.163 2.347 -3.061) 6.445 2.769 ( -2.362 1.327 2.785) 3.885 2.874 ( 0.724 -0.046 -1.066) 1.289 2.980 ( 1.127 5.710 -2.166) 6.210 3.227 ( 0.856 -6.844 0.025) 6.898 3.577 ( 3.312 3.219 2.518) 5.260 3.722 ( 0.022 -5.534 1.567) 5.751 4.051 ( 3.774 -1.009 1.755) 4.282 4.196 ( 2.216 -0.530 0.140) 2.283 4.270 ( -2.596 -2.378 -1.667) 3.895 4.309 ( -1.598 -3.361 -0.324) 3.736 4.557 ( 0.384 0.491 0.418) 0.750 4.659 ( -0.334 6.371 0.331) 6.389 8.513 ( -0.309 -0.976 1.963) 2.214 8.581 ( -0.312 -0.743 1.299) 1.529 8.638 ( -0.319 -0.135 -1.146) 1.198 8.707 ( 0.586 1.039 -2.458) 2.732 8.741 ( 0.568 0.240 -0.176) 0.641 10.183 ( -1.161 0.316 -0.498) 1.302 10.254 ( -0.681 0.178 0.772) 1.045 10.274 ( -0.421 0.504 -0.094) 0.663 10.370 ( 0.547 -0.988 1.772) 2.102 10.466 ( 0.208 -2.832 -1.513) 3.218 ======================= Grid point 129 (67/89) ======================= q-point: ( 0.33 -0.67 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.524 ( -1.114 0.000 -2.248) 2.509 0.541 ( 0.244 -0.000 -2.933) 2.943 0.668 ( 1.473 -0.000 0.998) 1.779 0.674 ( 3.082 -0.000 2.539) 3.993 0.740 ( -4.387 0.000 0.259) 4.395 0.751 ( -3.354 0.000 -0.658) 3.418 0.795 ( 0.989 -0.000 -1.166) 1.529 0.855 ( -1.105 0.000 0.950) 1.457 0.919 ( 1.941 -0.000 1.211) 2.288 0.969 ( 2.023 -0.000 2.174) 2.969 1.095 ( 1.717 -0.000 1.901) 2.562 1.115 ( 3.122 -0.000 -1.019) 3.284 1.313 ( -2.100 0.000 1.039) 2.343 1.348 ( 0.431 -0.000 -0.217) 0.483 1.382 ( -2.990 0.000 2.240) 3.736 1.508 ( -2.743 0.000 -3.043) 4.097 1.619 ( 1.920 -0.000 0.657) 2.029 1.669 ( -2.532 0.000 2.891) 3.843 1.793 ( 3.379 -0.000 0.427) 3.406 1.856 ( 0.156 -0.000 -0.561) 0.583 2.104 ( 4.209 -0.000 -0.557) 4.246 2.128 ( -2.038 0.000 5.004) 5.403 2.215 ( 8.367 -0.000 -0.624) 8.390 2.347 ( -4.103 0.000 0.375) 4.120 2.406 ( 3.320 -0.000 -4.739) 5.786 2.491 ( 6.579 -0.000 4.307) 7.863 2.579 ( -1.632 0.000 0.071) 1.633 2.649 ( 2.156 -0.000 -0.852) 2.318 2.819 ( -0.390 0.000 -4.050) 4.069 2.932 ( 1.719 -0.000 -0.261) 1.738 3.089 ( 4.957 -0.000 0.042) 4.957 3.105 ( 3.801 -0.000 -2.373) 4.480 3.209 ( -8.881 0.000 -2.003) 9.104 3.409 ( 6.956 -0.000 -0.600) 6.982 3.603 ( -4.299 0.000 -7.730) 8.845 3.921 ( -0.098 0.000 3.178) 3.180 3.974 ( -2.667 0.000 0.476) 2.709 4.175 ( -5.063 0.000 -0.835) 5.132 4.438 ( 0.632 -0.000 0.545) 0.835 4.609 ( 0.240 -0.000 -0.634) 0.678 4.754 ( 3.645 -0.000 0.475) 3.675 8.524 ( -0.570 0.000 -0.736) 0.932 8.541 ( -1.689 0.000 0.489) 1.758 8.628 ( 0.693 -0.000 4.092) 4.150 8.681 ( 1.085 -0.000 -2.603) 2.820 8.788 ( 0.641 -0.000 -1.597) 1.720 10.215 ( 0.790 -0.000 2.436) 2.560 10.231 ( -1.207 0.000 0.659) 1.375 10.308 ( 0.993 -0.000 1.936) 2.176 10.341 ( -1.111 0.000 -2.694) 2.914 10.375 ( -1.979 0.000 0.570) 2.059 ======================= Grid point 131 (68/89) ======================= q-point: (-0.50 0.33 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.508 ( 0.826 0.237 -1.520) 1.746 0.531 ( -0.630 -1.327 -1.822) 2.341 0.673 ( -1.845 2.121 3.237) 4.287 0.687 ( 2.007 2.141 0.839) 3.052 0.711 ( -2.264 -0.461 0.411) 2.346 0.736 ( 0.999 -0.181 0.774) 1.277 0.820 ( 1.906 -1.046 0.370) 2.206 0.854 ( -1.297 -0.359 1.830) 2.271 0.962 ( 2.850 0.758 2.019) 3.574 1.011 ( 1.689 -0.351 2.042) 2.673 1.118 ( 2.227 2.319 0.563) 3.264 1.183 ( 2.514 -3.222 -0.261) 4.095 1.275 ( -2.543 2.709 1.337) 3.949 1.298 ( -2.176 1.531 -1.186) 2.913 1.387 ( -3.875 -1.492 -1.108) 4.297 1.413 ( -3.486 -2.536 -2.613) 5.041 1.651 ( 2.329 1.876 2.525) 3.914 1.718 ( 1.035 -3.305 3.153) 4.683 1.839 ( 3.586 1.222 1.054) 3.932 1.902 ( 1.630 -3.495 1.081) 4.005 2.133 ( -2.859 0.512 6.009) 6.674 2.152 ( 6.150 2.825 -1.711) 6.980 2.254 ( -2.293 1.569 -4.148) 4.992 2.295 ( 0.979 -1.023 -0.260) 1.440 2.449 ( 6.761 2.994 0.180) 7.397 2.518 ( -2.869 2.123 -0.358) 3.587 2.599 ( -3.418 0.422 -3.330) 4.791 2.651 ( 3.299 -2.317 -0.021) 4.031 2.780 ( -0.246 0.762 -3.341) 3.436 2.932 ( -0.659 1.599 -2.872) 3.352 3.009 ( -8.222 4.078 -2.171) 9.431 3.044 ( -2.043 1.602 -5.082) 5.707 3.206 ( 2.891 -0.443 -0.457) 2.960 3.429 ( 6.721 7.089 1.610) 9.901 3.666 ( 7.001 -7.958 0.975) 10.644 3.874 ( -2.356 4.125 0.310) 4.761 4.027 ( 0.032 -6.379 2.093) 6.713 4.123 ( -3.732 -3.673 -1.479) 5.442 4.438 ( 0.088 1.783 0.392) 1.827 4.594 ( -0.218 1.146 -0.781) 1.404 4.790 ( 1.629 1.401 0.538) 2.215 8.505 ( -0.628 0.878 0.437) 1.165 8.536 ( -1.024 -1.491 0.418) 1.857 8.659 ( 0.715 1.038 1.313) 1.820 8.685 ( 1.102 -1.053 -0.924) 1.782 8.778 ( 0.174 0.466 -1.749) 1.818 10.215 ( -1.560 0.116 0.284) 1.590 10.247 ( 0.460 -0.233 2.328) 2.384 10.310 ( 0.010 0.523 -1.737) 1.814 10.331 ( -0.167 0.066 0.797) 0.817 10.363 ( -0.745 -1.744 0.733) 2.034 ======================= Grid point 132 (69/89) ======================= q-point: (-0.33 0.33 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.502 ( -0.203 0.461 0.007) 0.504 0.517 ( -1.543 -0.907 -0.564) 1.877 0.657 ( -1.187 0.966 1.508) 2.149 0.669 ( -2.171 1.255 2.450) 3.505 0.709 ( 0.762 1.188 -0.203) 1.426 0.778 ( 3.499 0.103 1.570) 3.836 0.834 ( -0.449 1.580 2.002) 2.590 0.876 ( 1.161 -0.585 1.440) 1.940 1.003 ( 1.901 1.390 2.368) 3.339 1.067 ( 1.761 -1.739 1.887) 3.113 1.116 ( 0.482 2.180 0.365) 2.262 1.175 ( -2.572 3.119 -1.549) 4.329 1.219 ( -2.655 1.055 -2.326) 3.684 1.266 ( -0.861 -1.765 -0.695) 2.083 1.331 ( -0.327 -2.322 -1.974) 3.066 1.429 ( -1.694 -3.320 1.275) 3.940 1.683 ( 1.413 0.451 1.077) 1.834 1.796 ( 1.327 -2.286 3.587) 4.456 1.894 ( 0.535 -3.227 0.025) 3.272 1.961 ( 3.921 1.378 0.361) 4.172 2.123 ( -1.487 4.909 0.862) 5.201 2.131 ( -3.200 2.159 6.274) 7.366 2.237 ( 5.950 0.458 -6.671) 8.950 2.285 ( -3.456 -1.169 -0.941) 3.768 2.415 ( -1.192 5.486 -2.650) 6.208 2.479 ( -2.640 -0.099 -4.392) 5.126 2.535 ( 2.560 1.357 1.204) 3.138 2.643 ( 2.624 9.391 -4.301) 10.657 2.758 ( -1.572 0.981 0.006) 1.853 2.776 ( -7.075 1.574 -0.714) 7.283 2.894 ( 2.736 3.526 -3.358) 5.585 3.057 ( 0.293 -5.375 -0.919) 5.461 3.170 ( 1.362 8.022 -0.880) 8.185 3.541 ( 5.943 -2.283 3.999) 7.518 3.761 ( -1.278 5.874 0.046) 6.012 3.915 ( 5.957 -10.893 1.067) 12.461 4.072 ( -2.478 -2.776 -1.365) 3.964 4.157 ( -0.251 -7.747 0.053) 7.751 4.398 ( -0.721 4.704 -0.176) 4.762 4.573 ( -0.257 0.804 -0.196) 0.866 4.777 ( 0.004 3.456 0.545) 3.499 8.499 ( -0.606 -0.078 1.536) 1.653 8.546 ( -0.708 -1.728 0.202) 1.878 8.653 ( 0.382 0.903 -1.094) 1.469 8.710 ( 0.988 -0.429 -0.198) 1.095 8.759 ( 0.060 0.845 -1.059) 1.356 10.191 ( -1.471 0.304 0.313) 1.535 10.262 ( -0.185 0.493 1.565) 1.651 10.289 ( -0.422 0.765 -0.948) 1.289 10.343 ( 0.293 -1.155 1.087) 1.613 10.393 ( -0.143 -2.950 -0.034) 2.954 ======================= Grid point 133 (70/89) ======================= q-point: (-0.17 0.33 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.488 ( -3.047 -1.413 2.181) 4.005 0.523 ( 0.530 -0.820 0.937) 1.353 0.637 ( -0.902 1.406 0.813) 1.858 0.655 ( -0.529 -0.693 0.403) 0.961 0.708 ( 1.299 0.808 1.331) 2.028 0.804 ( -0.695 0.081 -1.251) 1.433 0.829 ( 1.874 3.273 1.259) 3.977 0.896 ( -0.450 0.938 2.155) 2.393 1.019 ( -1.170 0.837 -0.804) 1.648 1.068 ( -2.308 1.858 -1.218) 3.203 1.104 ( 0.179 -0.217 0.794) 0.843 1.120 ( 0.046 -1.522 0.699) 1.676 1.171 ( 0.025 2.647 -0.635) 2.722 1.278 ( 1.131 -0.834 0.374) 1.454 1.355 ( 0.723 -1.879 -1.233) 2.361 1.454 ( -1.152 -1.727 2.234) 3.049 1.695 ( -0.462 -1.015 -0.304) 1.156 1.844 ( -1.350 0.100 1.272) 1.858 1.881 ( -1.174 1.168 -1.167) 2.026 1.978 ( 1.541 2.399 -1.737) 3.338 2.064 ( 0.235 1.802 -1.817) 2.570 2.124 ( -3.527 0.483 4.703) 5.898 2.216 ( 2.580 4.813 -3.925) 6.725 2.261 ( -0.971 -2.413 -0.045) 2.602 2.326 ( -4.015 3.617 -0.945) 5.486 2.409 ( 1.448 5.550 -0.462) 5.755 2.518 ( 2.018 3.645 -1.839) 4.555 2.585 ( 2.640 -2.032 -2.468) 4.146 2.709 ( 2.662 3.634 2.981) 5.402 2.801 ( 3.563 0.776 1.804) 4.068 2.894 ( 4.303 3.102 -2.156) 5.726 3.061 ( 0.739 7.095 -1.232) 7.239 3.146 ( 0.100 -6.660 -1.161) 6.761 3.636 ( -4.483 -2.139 -2.637) 5.624 3.682 ( 2.931 2.410 2.849) 4.745 4.035 ( -4.924 -4.530 -4.089) 7.841 4.134 ( 5.617 -8.139 1.539) 10.008 4.241 ( -0.351 -5.347 -0.250) 5.364 4.314 ( 0.050 6.413 0.477) 6.431 4.560 ( -0.746 0.719 0.160) 1.048 4.730 ( 0.020 4.462 0.376) 4.478 8.512 ( -0.576 -0.903 2.374) 2.604 8.554 ( -1.011 -1.799 -0.404) 2.103 8.636 ( -0.066 1.107 -0.875) 1.413 8.712 ( 0.618 0.742 -1.508) 1.790 8.753 ( 0.745 0.199 -0.166) 0.789 10.176 ( -0.639 0.506 1.126) 1.390 10.260 ( -0.174 0.746 1.006) 1.265 10.270 ( -0.638 0.410 -0.105) 0.765 10.372 ( -0.045 -1.435 1.532) 2.100 10.415 ( -0.823 -2.759 -1.372) 3.189 ======================= Grid point 137 (71/89) ======================= q-point: (-0.50 -0.50 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.499 ( -0.848 0.000 -1.918) 2.097 0.514 ( 1.098 -0.000 -1.765) 2.079 0.673 ( -3.101 0.000 4.090) 5.133 0.678 ( -2.877 0.000 2.266) 3.662 0.748 ( 3.177 -0.000 1.074) 3.354 0.765 ( 1.437 -0.000 -0.562) 1.543 0.855 ( 1.142 0.000 1.725) 2.069 0.855 ( 1.246 0.000 1.692) 2.101 1.032 ( 2.657 -0.000 2.509) 3.654 1.037 ( 0.263 -0.000 1.883) 1.901 1.150 ( -0.070 0.000 -1.258) 1.260 1.186 ( -1.187 0.000 -2.871) 3.107 1.245 ( -1.233 0.000 -1.053) 1.621 1.257 ( -3.468 0.000 0.800) 3.559 1.308 ( -2.663 0.000 -1.268) 2.950 1.368 ( 0.284 -0.000 1.417) 1.445 1.721 ( 1.263 -0.000 0.738) 1.463 1.729 ( 1.644 -0.000 2.767) 3.218 1.855 ( -0.939 0.000 2.622) 2.785 1.967 ( 4.652 -0.000 -0.164) 4.655 2.140 ( -3.628 0.000 6.870) 7.769 2.214 ( -1.732 0.000 -7.493) 7.691 2.241 ( 0.721 -0.000 2.447) 2.551 2.271 ( 6.110 -0.000 -0.087) 6.110 2.446 ( -3.073 0.000 -2.120) 3.733 2.485 ( -5.603 0.000 -6.473) 8.561 2.633 ( 7.403 -0.000 2.604) 7.848 2.685 ( 2.089 -0.000 1.284) 2.452 2.760 ( 0.209 -0.000 -2.746) 2.754 2.811 ( -12.773 0.000 -4.096) 13.414 2.937 ( 0.127 -0.000 -0.678) 0.689 3.021 ( 3.466 -0.000 -7.524) 8.284 3.283 ( 2.954 -0.000 2.433) 3.828 3.624 ( 2.578 -0.000 1.025) 2.774 3.651 ( 7.601 -0.000 1.298) 7.711 3.892 ( -1.954 0.000 -0.112) 1.958 3.998 ( 1.039 -0.000 1.040) 1.470 4.044 ( -1.630 0.000 -2.219) 2.754 4.453 ( -0.180 0.000 0.555) 0.584 4.585 ( -0.649 0.000 -0.668) 0.931 4.817 ( 0.052 -0.000 0.572) 0.574 8.508 ( -1.584 0.000 1.517) 2.193 8.515 ( 0.061 -0.000 -0.066) 0.089 8.666 ( 1.015 -0.000 -2.911) 3.083 8.702 ( 0.421 -0.000 2.114) 2.155 8.770 ( 0.154 -0.000 -1.352) 1.361 10.195 ( -1.669 0.000 0.798) 1.850 10.271 ( 0.313 -0.000 2.221) 2.243 10.299 ( 0.049 -0.000 -1.536) 1.536 10.334 ( -0.893 0.000 0.474) 1.011 10.346 ( 0.049 -0.000 0.566) 0.568 ======================= Grid point 138 (72/89) ======================= q-point: (-0.33 -0.50 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.467 ( -2.668 -0.423 -0.371) 2.726 0.510 ( 0.003 -0.276 -1.339) 1.367 0.648 ( -2.975 0.353 2.021) 3.614 0.663 ( -2.331 0.302 3.281) 4.036 0.748 ( 0.713 2.351 -0.588) 2.526 0.799 ( 0.528 -0.916 -0.822) 1.339 0.863 ( 0.070 0.347 1.643) 1.681 0.895 ( -0.555 -0.770 -0.667) 1.160 1.022 ( -2.703 -0.036 -0.305) 2.720 1.066 ( -1.101 -1.244 -0.410) 1.711 1.107 ( -2.238 1.042 0.930) 2.638 1.123 ( -1.096 0.645 -0.029) 1.272 1.253 ( 1.000 0.744 1.618) 2.042 1.260 ( 1.930 1.320 1.200) 2.628 1.299 ( 0.701 -1.924 -0.650) 2.148 1.405 ( 1.305 -1.836 1.508) 2.711 1.706 ( -0.473 1.895 -0.274) 1.973 1.799 ( 1.213 -4.142 0.662) 4.367 1.861 ( -2.260 -0.313 2.427) 3.331 1.979 ( -0.796 -0.511 -3.310) 3.442 2.124 ( -1.834 0.921 -5.231) 5.619 2.137 ( -3.810 0.428 7.092) 8.062 2.252 ( -1.330 2.388 -2.304) 3.575 2.327 ( 5.217 2.855 0.132) 5.949 2.383 ( -0.472 0.385 -0.670) 0.905 2.497 ( 6.927 0.251 0.917) 6.992 2.570 ( -9.711 1.513 -3.653) 10.485 2.647 ( 1.083 6.595 0.488) 6.701 2.739 ( -0.854 -0.017 -0.336) 0.918 2.781 ( 2.405 -2.316 1.094) 3.514 2.959 ( 0.838 -4.181 -0.081) 4.265 3.042 ( 8.497 3.822 -4.519) 10.355 3.270 ( -0.129 6.578 -0.646) 6.611 3.592 ( -1.075 2.256 -1.541) 2.936 3.786 ( -2.268 -4.187 -1.711) 5.060 3.852 ( 1.396 -0.028 -1.397) 1.975 4.030 ( 2.815 -4.193 -0.846) 5.121 4.081 ( 0.985 -5.126 0.624) 5.257 4.433 ( -0.948 2.741 0.319) 2.918 4.575 ( -0.091 0.403 0.149) 0.439 4.800 ( -1.543 1.501 0.395) 2.189 8.500 ( -1.038 -0.081 2.048) 2.298 8.520 ( -0.518 -0.989 -0.143) 1.125 8.656 ( 0.835 0.518 -2.235) 2.442 8.715 ( 0.093 -0.152 0.204) 0.271 8.764 ( 0.336 0.399 -0.522) 0.738 10.185 ( -0.747 0.251 2.053) 2.199 10.280 ( -0.139 0.831 1.188) 1.456 10.284 ( -0.407 0.592 -0.736) 1.028 10.340 ( 0.100 -1.040 1.011) 1.454 10.356 ( -0.604 -1.850 -0.312) 1.971 ======================= Grid point 139 (73/89) ======================= q-point: (-0.17 -0.50 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.439 ( -3.683 -2.213 2.801) 5.129 0.503 ( -1.745 -1.903 -0.529) 2.635 0.618 ( -2.649 -0.819 -0.049) 2.773 0.647 ( -2.037 0.308 3.158) 3.771 0.749 ( 1.290 -0.619 0.142) 1.438 0.778 ( 0.157 1.317 -1.455) 1.968 0.857 ( -3.625 -2.918 -1.975) 5.055 0.883 ( 1.082 0.135 0.287) 1.128 0.971 ( -3.117 2.351 0.560) 3.944 1.017 ( -4.168 -0.392 -2.664) 4.962 1.079 ( -1.482 0.634 1.008) 1.901 1.159 ( 1.612 -1.970 2.286) 3.421 1.247 ( 1.874 4.984 0.565) 5.354 1.310 ( 3.241 -0.869 1.265) 3.586 1.340 ( 1.185 -1.248 1.963) 2.610 1.460 ( 1.566 -1.176 1.524) 2.481 1.664 ( -2.412 0.526 -1.250) 2.767 1.828 ( -1.496 0.608 -1.128) 1.970 1.847 ( -0.605 -1.654 -1.518) 2.325 1.943 ( -2.070 -2.908 -2.159) 4.171 2.063 ( -0.092 2.414 -3.408) 4.178 2.118 ( -4.073 1.824 3.732) 5.818 2.201 ( -1.629 2.270 -1.673) 3.257 2.265 ( -6.189 1.123 -0.974) 6.365 2.374 ( 5.182 3.462 2.190) 6.606 2.500 ( 3.723 2.323 2.583) 5.092 2.578 ( 1.218 4.656 -0.643) 4.856 2.649 ( 6.516 0.111 -1.883) 6.783 2.747 ( 1.992 -0.948 3.535) 4.167 2.817 ( -0.443 -1.378 -0.787) 1.648 3.037 ( -0.824 -6.976 -0.036) 7.025 3.093 ( 9.390 8.424 -2.169) 12.800 3.167 ( 2.018 6.521 -1.087) 6.912 3.488 ( -7.619 -1.939 -7.237) 10.686 3.721 ( -5.450 -0.466 -3.419) 6.450 3.868 ( -0.224 -2.962 -1.362) 3.268 4.141 ( 1.390 -3.530 -0.994) 3.922 4.187 ( 4.310 -7.531 1.811) 8.864 4.379 ( -0.760 4.259 1.186) 4.486 4.563 ( -0.753 1.538 0.069) 1.713 4.757 ( -1.558 1.525 0.045) 2.180 8.512 ( -0.549 -0.798 2.210) 2.413 8.518 ( -1.122 -1.095 0.076) 1.570 8.642 ( 0.351 1.070 -1.206) 1.650 8.718 ( 0.588 0.196 -0.732) 0.959 8.761 ( 0.446 0.094 -0.623) 0.772 10.199 ( 0.719 0.896 2.678) 2.914 10.266 ( -0.591 0.595 -0.111) 0.846 10.277 ( -0.007 0.663 0.963) 1.169 10.359 ( -0.882 -1.743 -0.139) 1.958 10.367 ( -0.311 -1.555 0.406) 1.637 ======================= Grid point 144 (74/89) ======================= q-point: (-0.33 -0.33 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.412 ( -4.831 0.000 1.323) 5.009 0.476 ( -3.147 0.000 -1.378) 3.436 0.624 ( -3.067 0.000 3.009) 4.297 0.635 ( -3.955 0.000 0.917) 4.060 0.756 ( -0.505 0.000 -0.662) 0.833 0.794 ( -0.835 0.000 -0.018) 0.835 0.806 ( -3.159 0.000 -3.071) 4.406 0.872 ( -0.194 0.000 0.858) 0.879 1.003 ( -1.868 0.000 1.292) 2.271 1.006 ( -3.085 0.000 -3.171) 4.424 1.109 ( -1.046 0.000 0.558) 1.186 1.119 ( -1.748 0.000 2.476) 3.031 1.300 ( 2.509 -0.000 4.327) 5.002 1.311 ( 3.851 -0.000 0.557) 3.891 1.329 ( 2.347 -0.000 0.485) 2.397 1.432 ( 2.240 -0.000 1.483) 2.686 1.692 ( -2.806 0.000 -1.281) 3.084 1.786 ( 1.664 -0.000 -1.214) 2.060 1.835 ( -3.249 0.000 1.452) 3.559 1.916 ( -1.690 0.000 -5.087) 5.361 2.079 ( 0.616 -0.000 -5.066) 5.103 2.138 ( -3.925 0.000 6.646) 7.719 2.222 ( -1.497 0.000 -0.244) 1.517 2.367 ( -10.230 0.000 -2.946) 10.646 2.367 ( 1.738 0.000 -1.996) 2.647 2.528 ( 8.848 -0.000 5.820) 10.590 2.635 ( 7.061 -0.000 -0.377) 7.072 2.667 ( -1.904 0.000 -2.061) 2.806 2.736 ( -0.864 0.000 -2.591) 2.731 2.826 ( 3.227 -0.000 6.348) 7.121 2.912 ( -1.312 0.000 0.048) 1.313 3.191 ( 10.635 -0.000 -2.404) 10.903 3.272 ( -3.379 0.000 -3.603) 4.939 3.559 ( -10.089 0.000 -11.347) 15.184 3.569 ( -3.756 0.000 -2.289) 4.399 3.939 ( 3.005 -0.000 1.837) 3.522 4.008 ( 1.584 -0.000 -0.086) 1.586 4.106 ( 4.798 -0.000 0.615) 4.837 4.434 ( -1.461 0.000 0.711) 1.624 4.584 ( 0.455 -0.000 0.296) 0.543 4.773 ( -3.444 0.000 0.099) 3.445 8.502 ( -1.001 0.000 2.623) 2.807 8.506 ( -0.563 0.000 -0.202) 0.599 8.657 ( 1.105 -0.000 -2.158) 2.425 8.716 ( -0.029 0.000 0.466) 0.467 8.765 ( 0.236 -0.000 -0.962) 0.991 10.211 ( 1.020 -0.000 3.288) 3.443 10.278 ( -0.097 0.000 -0.457) 0.467 10.286 ( -0.741 0.000 0.099) 0.748 10.332 ( -1.075 0.000 -0.001) 1.075 10.347 ( 0.737 -0.000 1.408) 1.589 ======================= Grid point 145 (75/89) ======================= q-point: (-0.17 -0.33 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.373 ( -4.776 -2.952 5.121) 7.599 0.421 ( -4.428 -2.636 1.677) 5.419 0.587 ( -1.933 0.875 1.917) 2.859 0.632 ( -1.504 -2.030 2.730) 3.719 0.736 ( -3.020 -0.967 0.329) 3.189 0.764 ( -0.748 -1.631 -0.122) 1.798 0.801 ( 0.591 0.218 -0.694) 0.937 0.874 ( -1.806 -1.691 -0.027) 2.475 0.954 ( -0.158 0.818 -1.652) 1.850 0.965 ( -2.329 1.587 -0.048) 2.819 1.077 ( -1.498 1.228 0.750) 2.077 1.126 ( -1.944 -3.029 0.411) 3.623 1.321 ( 1.052 2.975 -0.231) 3.164 1.361 ( 2.462 0.078 -0.276) 2.479 1.408 ( 4.481 0.558 4.794) 6.586 1.485 ( 1.930 -0.981 1.669) 2.734 1.618 ( -3.728 1.225 -1.764) 4.302 1.796 ( -0.451 -1.449 -2.219) 2.688 1.827 ( 1.648 -1.392 -0.953) 2.358 1.867 ( -0.265 -0.938 -4.430) 4.536 2.045 ( -4.872 3.524 -1.406) 6.175 2.102 ( -2.423 1.297 0.701) 2.836 2.177 ( -4.689 -2.035 1.009) 5.210 2.235 ( 0.992 2.820 1.334) 3.274 2.450 ( 4.654 -3.023 0.788) 5.605 2.553 ( -5.486 2.213 -5.868) 8.332 2.660 ( 3.683 1.751 1.245) 4.264 2.664 ( -0.425 0.380 -2.573) 2.635 2.735 ( -0.762 -3.393 -1.133) 3.657 2.861 ( 1.289 3.231 3.162) 4.701 2.957 ( -1.222 -3.899 1.343) 4.301 3.149 ( -6.486 -1.967 -5.855) 8.957 3.301 ( -0.015 4.368 -4.077) 5.976 3.311 ( 1.752 2.713 -0.985) 3.377 3.555 ( -2.223 -3.784 -1.267) 4.568 3.933 ( 2.536 5.043 0.790) 5.699 4.082 ( 0.887 -5.843 -1.275) 6.046 4.217 ( 5.642 -3.412 1.688) 6.806 4.408 ( -1.435 1.888 1.173) 2.646 4.575 ( -0.736 2.201 -0.084) 2.322 4.720 ( -3.674 -1.057 -0.262) 3.832 8.498 ( -0.545 -0.082 0.316) 0.635 8.517 ( -0.458 -0.743 3.019) 3.143 8.653 ( 0.872 0.801 -1.383) 1.820 8.722 ( 0.461 -0.094 -0.126) 0.487 8.757 ( 0.081 -0.084 -1.480) 1.484 10.244 ( 0.712 0.848 1.055) 1.529 10.269 ( -0.365 0.373 -0.330) 0.617 10.281 ( 0.444 0.145 0.602) 0.762 10.323 ( -1.027 -1.246 0.034) 1.616 10.382 ( 1.913 0.216 2.393) 3.071 ======================= Grid point 151 (76/89) ======================= q-point: (-0.17 -0.17 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.338 ( -3.018 0.000 7.728) 8.296 0.410 ( -0.298 0.000 7.671) 7.677 0.611 ( 0.879 -0.000 4.414) 4.501 0.619 ( -0.133 0.000 1.971) 1.976 0.677 ( -4.665 0.000 2.280) 5.192 0.738 ( -2.373 0.000 -0.564) 2.439 0.787 ( -2.388 0.000 -0.472) 2.434 0.846 ( 0.161 -0.000 1.441) 1.450 0.949 ( -0.746 0.000 -0.410) 0.851 0.974 ( 2.342 -0.000 -1.318) 2.687 1.069 ( -0.805 0.000 -0.891) 1.201 1.081 ( -1.684 0.000 1.904) 2.542 1.333 ( -0.101 0.000 -2.415) 2.417 1.380 ( 0.769 -0.000 -1.189) 1.416 1.486 ( -0.578 0.000 -0.320) 0.660 1.515 ( 0.778 -0.000 1.948) 2.097 1.585 ( 0.956 -0.000 2.726) 2.889 1.759 ( 0.368 -0.000 -2.849) 2.873 1.851 ( 3.138 -0.000 0.191) 3.144 1.853 ( 2.604 -0.000 -4.933) 5.578 1.967 ( -6.245 0.000 -2.286) 6.650 2.059 ( -9.762 0.000 0.273) 9.766 2.129 ( 2.898 -0.000 -0.666) 2.974 2.284 ( 1.213 -0.000 1.519) 1.944 2.302 ( -14.109 0.000 -2.658) 14.357 2.478 ( 1.793 -0.000 -2.039) 2.715 2.619 ( -1.692 0.000 -2.884) 3.343 2.675 ( -0.160 0.000 -2.099) 2.105 2.766 ( 1.098 -0.000 2.219) 2.476 2.889 ( -1.300 0.000 0.769) 1.510 2.896 ( -7.133 0.000 -0.387) 7.144 2.981 ( -5.020 0.000 -2.456) 5.588 3.276 ( -1.524 0.000 0.653) 1.658 3.405 ( 5.175 -0.000 -0.006) 5.175 3.608 ( 6.727 -0.000 4.811) 8.270 4.004 ( 0.768 -0.000 -2.255) 2.382 4.053 ( 3.310 -0.000 0.633) 3.370 4.291 ( 5.242 -0.000 1.496) 5.452 4.403 ( -1.725 0.000 0.822) 1.911 4.582 ( -0.829 0.000 -0.086) 0.834 4.636 ( -5.185 0.000 -0.511) 5.210 8.503 ( 0.144 -0.000 1.140) 1.149 8.532 ( -0.107 0.000 3.133) 3.135 8.661 ( 1.036 -0.000 -1.432) 1.767 8.727 ( 0.528 -0.000 -0.370) 0.645 8.739 ( -0.455 0.000 -1.989) 2.040 10.238 ( -1.240 0.000 -1.853) 2.230 10.260 ( 0.137 -0.000 0.343) 0.369 10.292 ( -1.645 0.000 0.081) 1.647 10.321 ( 1.661 -0.000 1.346) 2.138 10.450 ( 3.995 -0.000 1.244) 4.184 ======================= Grid point 152 (77/89) ======================= q-point: ( 0.00 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 47 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.560 ( 0.000 -0.000 0.000) 0.000 0.587 ( -0.000 0.000 -0.000) 0.000 0.605 ( 0.000 -0.000 0.000) 0.000 0.609 ( -0.000 0.000 0.000) 0.000 0.639 ( 0.000 -0.000 0.000) 0.000 0.770 ( -0.000 0.000 0.000) 0.000 0.813 ( -0.000 0.000 0.000) 0.000 0.882 ( -0.000 0.000 0.000) 0.000 0.918 ( -0.000 0.000 -0.000) 0.000 1.022 ( -0.000 0.000 0.000) 0.000 1.139 ( 0.000 -0.000 0.000) 0.000 1.150 ( -0.000 0.000 -0.000) 0.000 1.179 ( -0.000 0.000 0.000) 0.000 1.285 ( -0.000 0.000 0.000) 0.000 1.356 ( -0.000 0.000 0.000) 0.000 1.526 ( 0.000 -0.000 0.000) 0.000 1.684 ( -0.000 0.000 0.000) 0.000 1.748 ( -0.000 0.000 0.000) 0.000 1.814 ( -0.000 0.000 0.000) 0.000 1.875 ( 0.000 -0.000 -0.000) 0.000 2.031 ( -0.000 0.000 -0.000) 0.000 2.078 ( -0.000 0.000 0.000) 0.000 2.125 ( 0.000 -0.000 0.000) 0.000 2.262 ( -0.000 0.000 0.000) 0.000 2.269 ( -0.000 0.000 0.000) 0.000 2.388 ( 0.000 -0.000 0.000) 0.000 2.432 ( -0.000 0.000 0.000) 0.000 2.591 ( -0.000 0.000 0.000) 0.000 2.651 ( -0.000 0.000 0.000) 0.000 2.793 ( -0.000 0.000 0.000) 0.000 2.854 ( 0.000 -0.000 0.000) 0.000 2.860 ( 0.000 -0.000 0.000) 0.000 3.361 ( -0.000 0.000 0.000) 0.000 3.497 ( -0.000 0.000 0.000) 0.000 3.952 ( -0.000 0.000 -0.000) 0.000 3.983 ( -0.000 0.000 0.000) 0.000 4.097 ( 0.000 -0.000 0.000) 0.000 4.354 ( -0.000 0.000 0.000) 0.000 4.435 ( 0.000 -0.000 0.000) 0.000 4.507 ( -0.000 0.000 0.000) 0.000 4.559 ( -0.000 0.000 0.000) 0.000 8.572 ( -0.000 0.000 -0.000) 0.000 8.606 ( 0.000 -0.000 0.000) 0.000 8.614 ( -0.000 0.000 0.000) 0.000 8.651 ( -0.000 0.000 0.000) 0.000 8.738 ( 0.000 -0.000 0.000) 0.000 10.170 ( -0.000 0.000 0.000) 0.000 10.253 ( -0.000 0.000 0.000) 0.000 10.274 ( 0.000 -0.000 0.000) 0.000 10.432 ( -0.000 0.000 0.000) 0.000 10.450 ( -0.000 0.000 -0.000) 0.000 ======================= Grid point 154 (78/89) ======================= q-point: ( 0.17 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.531 ( -0.548 0.963 -2.288) 2.542 0.572 ( -0.711 -3.053 -3.970) 5.058 0.614 ( 0.146 -0.024 2.561) 2.565 0.642 ( 3.490 1.062 0.107) 3.649 0.701 ( 3.038 -3.150 0.104) 4.378 0.776 ( 0.684 0.525 -1.226) 1.499 0.780 ( -1.599 0.322 -0.819) 1.825 0.899 ( -0.107 -0.763 -2.234) 2.363 0.918 ( -0.926 -0.801 1.602) 2.016 1.005 ( -1.417 -2.233 -2.395) 3.567 1.099 ( -0.654 -0.585 -0.703) 1.124 1.124 ( -3.242 1.129 -2.043) 3.995 1.217 ( 2.474 0.592 3.927) 4.679 1.314 ( 1.542 0.275 2.002) 2.542 1.380 ( 2.638 0.757 1.692) 3.224 1.517 ( -1.628 0.327 1.768) 2.426 1.713 ( -0.873 1.060 -2.162) 2.561 1.741 ( 0.401 -3.691 0.029) 3.713 1.849 ( -0.693 -2.574 -0.543) 2.721 1.863 ( -2.188 -2.038 0.020) 2.990 1.965 ( 4.500 -2.630 -5.377) 7.488 2.038 ( -5.173 -1.238 -1.804) 5.617 2.167 ( -5.644 1.567 -0.287) 5.865 2.263 ( 1.917 -0.807 1.068) 2.339 2.303 ( 4.487 -2.293 2.171) 5.487 2.363 ( 2.262 -2.987 0.641) 3.802 2.548 ( 4.216 5.156 3.139) 7.364 2.586 ( 0.183 0.098 0.016) 0.208 2.695 ( 7.756 -1.199 1.764) 8.044 2.832 ( 3.068 -0.864 -0.593) 3.242 2.843 ( -1.221 0.237 0.483) 1.334 2.899 ( 2.043 -3.968 1.347) 4.662 3.302 ( -0.827 6.147 -1.234) 6.325 3.510 ( -3.164 -4.353 -1.287) 5.533 3.820 ( -2.283 8.511 -2.994) 9.307 4.024 ( -4.159 -2.094 -3.011) 5.545 4.103 ( -1.821 -5.253 1.665) 5.804 4.339 ( -0.287 3.864 0.547) 3.913 4.378 ( 1.971 4.214 0.179) 4.656 4.543 ( -0.367 -0.230 -0.275) 0.513 4.609 ( 2.607 -5.311 0.298) 5.924 8.551 ( -0.413 1.003 -1.970) 2.249 8.599 ( -0.620 0.254 -0.297) 0.733 8.620 ( -0.242 0.522 2.766) 2.825 8.662 ( -0.079 -1.381 0.148) 1.391 8.744 ( 0.875 -0.071 -0.539) 1.030 10.180 ( 0.575 -0.388 0.932) 1.162 10.263 ( 0.687 -0.220 0.583) 0.927 10.271 ( -0.422 -0.081 0.081) 0.437 10.403 ( -0.899 0.730 -2.878) 3.102 10.450 ( -1.184 1.025 2.227) 2.723 ======================= Grid point 155 (79/89) ======================= q-point: ( 0.33 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 148 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.506 ( 0.170 0.187 -1.575) 1.596 0.572 ( -0.538 -2.316 -2.292) 3.303 0.636 ( -2.008 2.475 -2.663) 4.153 0.652 ( 1.400 -0.572 2.641) 3.043 0.705 ( 0.288 0.918 -1.696) 1.950 0.785 ( 3.216 -2.286 -0.319) 3.959 0.822 ( 0.980 -1.831 -1.874) 2.797 0.862 ( 0.104 0.326 -0.924) 0.985 0.921 ( -1.514 -0.557 0.875) 1.835 0.977 ( -4.114 -0.219 -1.419) 4.357 1.078 ( -0.614 -0.025 -0.459) 0.767 1.132 ( 1.277 -4.086 0.619) 4.325 1.258 ( 1.555 2.015 1.761) 3.095 1.336 ( 0.635 0.672 0.950) 1.326 1.429 ( 3.223 1.356 2.645) 4.384 1.506 ( -0.905 0.216 1.519) 1.781 1.645 ( -2.922 1.215 -2.812) 4.233 1.759 ( -2.638 -0.234 -0.649) 2.727 1.814 ( 0.629 -1.775 0.110) 1.887 1.918 ( 1.491 -3.165 -1.339) 3.746 1.949 ( -5.173 -3.697 -3.356) 7.190 2.073 ( -1.909 1.829 1.682) 3.134 2.149 ( 4.222 -3.363 2.622) 6.001 2.310 ( 2.807 -0.062 0.280) 2.821 2.343 ( 0.785 -5.563 -1.434) 5.798 2.500 ( 4.052 4.051 4.311) 7.171 2.552 ( 4.111 -3.157 1.888) 5.516 2.607 ( 0.937 -0.717 -0.197) 1.197 2.799 ( 0.500 0.974 -3.308) 3.484 2.829 ( 2.710 0.162 2.525) 3.708 2.901 ( 2.907 -2.582 1.089) 4.038 3.040 ( 7.064 -5.243 1.804) 8.980 3.209 ( -0.025 6.221 -0.607) 6.251 3.435 ( -7.067 1.685 -3.955) 8.272 3.668 ( -5.265 2.792 -4.158) 7.267 3.934 ( -2.901 2.843 -0.557) 4.100 4.134 ( -2.015 -3.316 -0.436) 3.905 4.319 ( -0.107 -0.281 1.165) 1.203 4.376 ( 2.252 3.023 0.173) 3.773 4.532 ( -0.173 0.619 -0.266) 0.696 4.697 ( 1.745 -3.316 0.085) 3.748 8.519 ( -0.438 0.820 -1.270) 1.574 8.585 ( -0.486 0.262 -0.144) 0.570 8.632 ( -0.045 0.279 1.826) 1.848 8.675 ( -0.336 -0.994 0.204) 1.069 8.752 ( 0.778 -0.006 -0.559) 0.958 10.209 ( 1.085 -0.756 1.354) 1.892 10.265 ( -0.526 -0.194 0.297) 0.634 10.284 ( 0.822 -0.047 0.487) 0.956 10.357 ( -1.054 0.683 -2.159) 2.498 10.425 ( -1.627 1.429 0.975) 2.374 ======================= Grid point 156 (80/89) ======================= q-point: ( 0.50 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 74 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.503 ( -0.000 0.000 0.000) 0.000 0.562 ( -0.000 0.000 0.000) 0.000 0.582 ( -0.000 0.000 0.000) 0.000 0.693 ( 0.000 0.000 -0.000) 0.000 0.697 ( -0.000 -0.000 0.000) 0.000 0.802 ( -0.000 0.000 0.000) 0.000 0.841 ( 0.000 0.000 0.000) 0.000 0.903 ( 0.000 0.000 0.000) 0.000 0.905 ( -0.000 0.000 0.000) 0.000 0.909 ( -0.000 0.000 0.000) 0.000 1.073 ( -0.000 0.000 0.000) 0.000 1.195 ( -0.000 -0.000 0.000) 0.000 1.242 ( -0.000 0.000 0.000) 0.000 1.339 ( -0.000 0.000 0.000) 0.000 1.463 ( -0.000 0.000 0.000) 0.000 1.512 ( -0.000 0.000 0.000) 0.000 1.589 ( 0.000 0.000 0.000) 0.000 1.731 ( -0.000 0.000 0.000) 0.000 1.843 ( -0.000 0.000 0.000) 0.000 1.903 ( 0.000 0.000 0.000) 0.000 1.984 ( -0.000 -0.000 0.000) 0.000 2.020 ( -0.000 0.000 0.000) 0.000 2.202 ( -0.000 0.000 0.000) 0.000 2.319 ( -0.000 -0.000 0.000) 0.000 2.400 ( -0.000 -0.000 0.000) 0.000 2.552 ( -0.000 0.000 0.000) 0.000 2.610 ( -0.000 0.000 -0.000) 0.000 2.640 ( -0.000 0.000 0.000) 0.000 2.764 ( -0.000 0.000 0.000) 0.000 2.865 ( -0.000 0.000 0.000) 0.000 2.963 ( -0.000 0.000 -0.000) 0.000 3.153 ( 0.000 0.000 0.000) 0.000 3.182 ( 0.000 0.000 -0.000) 0.000 3.296 ( -0.000 0.000 0.000) 0.000 3.576 ( -0.000 0.000 0.000) 0.000 3.895 ( -0.000 0.000 0.000) 0.000 4.133 ( -0.000 0.000 0.000) 0.000 4.331 ( -0.000 0.000 0.000) 0.000 4.373 ( -0.000 0.000 0.000) 0.000 4.525 ( -0.000 0.000 0.000) 0.000 4.730 ( -0.000 0.000 0.000) 0.000 8.505 ( -0.000 0.000 0.000) 0.000 8.579 ( -0.000 0.000 0.000) 0.000 8.638 ( -0.000 0.000 -0.000) 0.000 8.679 ( -0.000 0.000 0.000) 0.000 8.756 ( -0.000 0.000 0.000) 0.000 10.234 ( 0.000 -0.000 0.000) 0.000 10.268 ( -0.000 -0.000 0.000) 0.000 10.282 ( -0.000 0.000 -0.000) 0.000 10.341 ( -0.000 0.000 0.000) 0.000 10.402 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 161 (81/89) ======================= q-point: ( 0.17 0.17 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 87 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.495 ( 0.888 -0.000 -6.483) 6.544 0.530 ( 0.382 -0.000 -3.065) 3.089 0.629 ( 0.554 -0.000 1.425) 1.529 0.687 ( -1.873 0.000 -2.011) 2.748 0.723 ( 1.730 -0.000 -1.464) 2.266 0.735 ( 3.478 -0.000 -0.258) 3.488 0.799 ( 1.364 -0.000 -2.150) 2.546 0.889 ( -1.056 0.000 -2.265) 2.499 0.921 ( -0.520 0.000 3.052) 3.096 0.947 ( -0.874 0.000 -0.482) 0.999 1.073 ( -1.542 0.000 -1.109) 1.900 1.090 ( -0.166 0.000 0.653) 0.673 1.283 ( 2.771 -0.000 2.177) 3.524 1.345 ( 0.181 -0.000 1.914) 1.922 1.452 ( 3.760 -0.000 2.137) 4.325 1.501 ( -2.984 0.000 2.649) 3.990 1.663 ( -3.199 0.000 -3.709) 4.899 1.741 ( 1.104 -0.000 -0.536) 1.227 1.787 ( -3.039 0.000 0.782) 3.138 1.869 ( -0.597 0.000 -1.120) 1.269 1.938 ( 1.598 -0.000 0.123) 1.603 2.038 ( 9.386 -0.000 -0.399) 9.394 2.124 ( -2.353 0.000 -0.368) 2.381 2.300 ( 3.780 -0.000 1.143) 3.949 2.329 ( 0.554 -0.000 -2.688) 2.745 2.425 ( 4.030 -0.000 3.008) 5.028 2.578 ( 0.210 -0.000 1.067) 1.088 2.622 ( -0.467 0.000 2.309) 2.356 2.817 ( -0.781 0.000 -2.514) 2.632 2.867 ( 11.342 -0.000 2.299) 11.573 2.877 ( 2.243 -0.000 1.380) 2.634 2.938 ( 4.880 -0.000 1.817) 5.207 3.315 ( -0.349 0.000 -2.517) 2.541 3.414 ( -5.171 0.000 -0.677) 5.215 3.755 ( -7.425 0.000 -8.516) 11.298 3.960 ( -1.432 0.000 1.777) 2.283 4.051 ( -2.614 0.000 0.870) 2.755 4.320 ( -4.557 0.000 -1.013) 4.668 4.409 ( 1.244 -0.000 0.046) 1.245 4.585 ( 1.070 -0.000 -0.238) 1.096 4.620 ( 5.261 -0.000 0.849) 5.329 8.534 ( -0.557 0.000 -1.784) 1.869 8.580 ( -0.823 0.000 -0.949) 1.256 8.649 ( 0.112 -0.000 -0.727) 0.735 8.652 ( -0.543 0.000 4.401) 4.434 8.753 ( 1.125 -0.000 -1.047) 1.537 10.199 ( 0.953 -0.000 1.671) 1.924 10.263 ( -0.669 0.000 0.164) 0.689 10.283 ( 1.235 -0.000 0.991) 1.584 10.367 ( -1.447 0.000 -2.889) 3.231 10.444 ( -2.337 0.000 1.363) 2.705 ======================= Grid point 162 (82/89) ======================= q-point: ( 0.33 0.17 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.478 ( 0.948 -1.035 -4.018) 4.256 0.510 ( 0.300 -2.594 -5.315) 5.922 0.624 ( 0.731 2.352 -1.098) 2.696 0.667 ( 0.996 -1.211 -0.153) 1.575 0.748 ( 1.763 1.433 -0.394) 2.306 0.772 ( -0.583 -1.103 -1.191) 1.725 0.792 ( -0.038 -1.440 -0.218) 1.457 0.872 ( 0.679 -1.587 -0.219) 1.740 0.925 ( -0.885 0.625 1.621) 1.949 0.953 ( 1.752 1.614 0.888) 2.542 1.077 ( 0.917 0.066 0.332) 0.978 1.117 ( 1.412 -2.652 1.098) 3.199 1.314 ( 1.037 2.422 0.537) 2.689 1.347 ( -1.186 0.279 0.855) 1.488 1.469 ( -2.460 0.203 1.119) 2.710 1.497 ( -0.998 -0.418 -0.763) 1.324 1.599 ( -0.194 0.698 -0.973) 1.213 1.752 ( 0.108 0.106 1.611) 1.618 1.780 ( -2.428 -1.844 2.374) 3.864 1.852 ( 1.926 -3.232 -1.654) 4.109 2.021 ( 6.974 3.552 0.748) 7.862 2.086 ( 0.864 2.431 0.114) 2.582 2.183 ( 3.010 -2.955 1.992) 4.665 2.287 ( -0.514 2.321 -3.373) 4.126 2.418 ( 4.863 -0.604 4.115) 6.398 2.491 ( 0.970 -6.839 -0.777) 6.951 2.608 ( 0.471 2.003 3.269) 3.862 2.627 ( 1.265 -0.455 1.205) 1.805 2.777 ( -1.016 0.727 -3.130) 3.370 2.909 ( 1.618 1.241 -0.974) 2.259 2.952 ( 4.209 3.234 1.387) 5.486 3.089 ( 6.138 -5.944 0.600) 8.566 3.273 ( -0.589 5.596 -0.359) 5.638 3.329 ( -4.915 0.692 -1.986) 5.346 3.583 ( -3.776 0.462 -4.215) 5.678 3.933 ( -1.732 3.089 0.788) 3.628 4.059 ( -1.569 -5.068 0.855) 5.373 4.252 ( -4.937 -2.834 -1.309) 5.841 4.421 ( 1.142 1.395 -0.050) 1.804 4.577 ( 1.199 2.654 -0.261) 2.924 4.710 ( 3.677 -1.313 0.538) 3.941 8.513 ( -0.229 0.470 -0.960) 1.094 8.566 ( -0.616 -0.699 -0.940) 1.324 8.642 ( 0.021 0.188 -0.733) 0.757 8.679 ( -0.179 0.022 3.388) 3.393 8.757 ( 0.649 0.039 -1.170) 1.338 10.231 ( 1.029 -0.193 1.714) 2.009 10.256 ( -0.696 -0.313 0.585) 0.961 10.302 ( 0.460 0.970 -0.450) 1.164 10.329 ( -0.524 -0.726 -1.180) 1.481 10.410 ( -2.269 0.361 -0.079) 2.299 ======================= Grid point 163 (83/89) ======================= q-point: ( 0.50 0.17 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.484 ( 0.649 -1.321 -1.270) 1.944 0.535 ( 1.559 -4.002 -2.948) 5.210 0.621 ( 2.588 1.864 -0.136) 3.192 0.690 ( 1.228 -0.169 -0.177) 1.252 0.709 ( -1.450 2.575 1.910) 3.519 0.784 ( -2.602 -1.526 -0.893) 3.147 0.818 ( 2.124 -1.771 1.294) 3.053 0.888 ( -1.213 0.549 0.397) 1.389 0.944 ( 2.535 0.288 2.351) 3.470 0.981 ( 4.046 1.338 0.842) 4.344 1.087 ( 0.999 0.916 0.414) 1.417 1.183 ( 1.308 -2.881 -0.160) 3.168 1.259 ( -1.892 4.910 -0.416) 5.279 1.324 ( -2.265 -0.387 -0.232) 2.310 1.410 ( -3.734 -0.233 -4.121) 5.566 1.475 ( -1.823 -2.234 0.175) 2.888 1.630 ( 2.793 0.357 1.959) 3.430 1.779 ( 3.352 1.689 2.172) 4.337 1.800 ( -0.779 -2.482 2.775) 3.804 1.945 ( 3.121 -4.440 -0.407) 5.443 2.017 ( 0.737 3.028 -0.482) 3.154 2.126 ( 7.810 6.074 1.539) 10.013 2.201 ( -1.105 2.706 -1.254) 3.180 2.269 ( 1.125 -2.783 0.002) 3.002 2.424 ( -3.650 -0.703 -1.424) 3.981 2.521 ( 0.578 4.724 -0.052) 4.760 2.604 ( -4.264 1.441 -2.512) 5.154 2.630 ( -2.219 0.837 0.129) 2.375 2.766 ( 0.751 -1.868 1.113) 2.300 2.851 ( -1.303 2.570 -4.260) 5.143 2.999 ( 0.713 0.493 2.485) 2.632 3.118 ( -5.895 2.751 -3.271) 7.282 3.157 ( -4.225 3.660 0.048) 5.590 3.343 ( 8.452 -2.807 4.856) 10.144 3.645 ( 7.152 -2.276 2.904) 8.047 3.879 ( -1.662 0.094 -0.792) 1.843 4.112 ( -0.219 -3.902 1.368) 4.141 4.228 ( -4.473 -6.494 -1.581) 8.042 4.402 ( 0.287 3.318 -0.730) 3.410 4.562 ( 1.014 2.122 -0.058) 2.353 4.752 ( 1.634 1.391 0.361) 2.176 8.507 ( 0.230 -0.109 0.275) 0.375 8.564 ( -0.209 -1.160 -0.988) 1.538 8.634 ( 0.052 0.136 -1.037) 1.048 8.696 ( 0.164 0.728 1.833) 1.979 8.754 ( -0.007 0.086 -0.500) 0.507 10.229 ( -1.159 0.839 -0.432) 1.495 10.269 ( 0.090 -0.096 0.544) 0.560 10.284 ( 0.350 0.130 -0.441) 0.577 10.342 ( 0.306 -0.552 0.559) 0.843 10.390 ( -0.228 -1.277 -0.631) 1.442 ======================= Grid point 164 (84/89) ======================= q-point: (-0.33 0.17 0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.504 ( 0.728 -1.258 0.353) 1.496 0.562 ( -1.384 -3.480 -2.193) 4.340 0.632 ( 1.552 2.156 0.596) 2.723 0.659 ( -0.929 2.231 -0.129) 2.420 0.742 ( -1.950 0.174 0.117) 1.962 0.760 ( 2.813 -0.841 2.057) 3.585 0.836 ( -1.674 3.369 0.774) 3.841 0.894 ( 1.491 -1.151 2.322) 2.990 0.974 ( 2.670 2.634 1.297) 3.969 1.055 ( 3.867 0.628 1.421) 4.168 1.093 ( 0.711 -0.056 0.576) 0.917 1.161 ( -2.371 4.727 -0.290) 5.297 1.191 ( -1.295 -1.281 -3.657) 4.086 1.296 ( -2.035 -1.304 -1.043) 2.632 1.354 ( -2.144 -1.434 -1.394) 2.932 1.485 ( -0.270 -2.327 -0.612) 2.421 1.679 ( 1.572 -0.961 1.249) 2.225 1.825 ( 3.027 1.854 1.910) 4.031 1.867 ( 4.038 -1.001 1.597) 4.456 1.948 ( -1.687 3.304 1.786) 4.117 2.055 ( 5.166 -0.002 -2.017) 5.546 2.104 ( -5.345 6.043 0.621) 8.092 2.178 ( 5.585 2.540 1.389) 6.291 2.312 ( 2.394 4.059 0.591) 4.749 2.347 ( -4.608 -3.941 -4.169) 7.359 2.434 ( -1.379 7.928 -2.354) 8.384 2.494 ( -2.715 2.909 -0.166) 3.983 2.557 ( -3.347 -1.932 0.001) 3.864 2.771 ( -3.566 2.268 -1.694) 4.553 2.830 ( 1.219 -0.795 -0.925) 1.724 2.859 ( -7.521 3.741 0.284) 8.405 3.049 ( -0.572 8.219 -0.104) 8.240 3.133 ( 0.301 -7.515 0.013) 7.521 3.548 ( 6.876 -3.015 5.135) 9.096 3.718 ( -0.063 2.042 -0.118) 2.047 3.955 ( 5.690 -6.355 2.593) 8.915 4.153 ( -1.888 -4.722 0.222) 5.090 4.245 ( -1.643 -5.534 -0.982) 5.856 4.338 ( -1.329 4.716 -1.428) 5.103 4.558 ( 0.872 0.973 0.210) 1.323 4.732 ( 0.010 4.363 0.167) 4.366 8.525 ( 0.354 -0.928 1.265) 1.608 8.570 ( 0.043 -1.504 -1.331) 2.009 8.626 ( 0.169 0.294 -0.668) 0.749 8.694 ( 0.161 1.235 0.294) 1.279 8.748 ( -0.351 0.295 0.221) 0.509 10.196 ( -0.815 0.903 -0.767) 1.438 10.269 ( 0.031 0.260 0.026) 0.263 10.278 ( -0.134 0.540 -0.505) 0.751 10.374 ( 0.704 -1.594 2.097) 2.726 10.409 ( 0.549 -2.148 -1.492) 2.672 ======================= Grid point 165 (85/89) ======================= q-point: (-0.17 0.17 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 75 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.538 ( 0.000 -1.452 0.000) 1.452 0.564 ( -0.000 -2.574 0.000) 2.574 0.624 ( -0.000 1.401 0.000) 1.401 0.628 ( 0.000 1.761 0.000) 1.761 0.721 ( 0.000 1.726 0.000) 1.726 0.767 ( -0.000 3.981 0.000) 3.981 0.804 ( -0.000 -0.694 0.000) 0.694 0.921 ( -0.000 0.040 0.000) 0.040 0.963 ( -0.000 5.325 -0.000) 5.325 1.050 ( -0.000 2.087 0.000) 2.087 1.123 ( -0.000 -0.723 0.000) 0.723 1.129 ( 0.000 -1.203 0.000) 1.203 1.168 ( -0.000 -0.764 0.000) 0.764 1.283 ( 0.000 -0.596 0.000) 0.596 1.346 ( -0.000 -0.791 0.000) 0.791 1.508 ( -0.000 -1.830 0.000) 1.830 1.713 ( -0.000 -1.731 0.000) 1.731 1.826 ( 0.000 7.868 0.000) 7.868 1.875 ( -0.000 1.368 0.000) 1.368 1.902 ( -0.000 4.730 0.000) 4.730 2.025 ( 0.000 -0.965 0.000) 0.965 2.071 ( -0.000 3.240 -0.000) 3.240 2.207 ( 0.000 2.655 0.000) 2.655 2.287 ( 0.000 0.775 0.000) 0.775 2.311 ( -0.000 3.255 0.000) 3.255 2.366 ( 0.000 -2.149 0.000) 2.149 2.437 ( -0.000 4.013 0.000) 4.013 2.586 ( 0.000 -3.115 0.000) 3.115 2.625 ( -0.000 3.470 0.000) 3.470 2.817 ( 0.000 -0.114 0.000) 0.114 2.850 ( 0.000 -0.437 0.000) 0.437 2.949 ( 0.000 7.442 0.000) 7.442 3.228 ( 0.000 -7.784 0.000) 7.784 3.607 ( -0.000 6.072 0.000) 6.072 3.738 ( 0.000 -8.341 0.000) 8.341 4.079 ( 0.000 -1.469 0.000) 1.469 4.198 ( 0.000 2.219 0.000) 2.219 4.240 ( -0.000 -3.854 0.000) 3.854 4.305 ( -0.000 -4.277 0.000) 4.277 4.561 ( 0.000 0.273 0.000) 0.273 4.663 ( -0.000 6.627 0.000) 6.627 8.549 ( -0.000 -1.309 0.000) 1.309 8.582 ( -0.000 -1.738 0.000) 1.738 8.620 ( 0.000 0.599 0.000) 0.599 8.680 ( -0.000 1.523 0.000) 1.523 8.742 ( 0.000 0.327 0.000) 0.327 10.178 ( -0.000 0.654 0.000) 0.654 10.260 ( -0.000 0.580 0.000) 0.580 10.274 ( 0.000 0.059 0.000) 0.059 10.413 ( -0.000 -1.453 0.000) 1.453 10.426 ( -0.000 -1.893 -0.000) 1.893 ======================= Grid point 169 (86/89) ======================= q-point: ( 0.33 0.33 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 89 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.469 ( 2.187 -0.000 -3.538) 4.159 0.477 ( 1.539 -0.000 -1.564) 2.194 0.656 ( 2.476 -0.000 -1.138) 2.725 0.680 ( 3.131 -0.000 -1.740) 3.582 0.746 ( -1.431 0.000 0.206) 1.446 0.763 ( -0.124 0.000 1.374) 1.380 0.790 ( 0.642 -0.000 0.298) 0.708 0.875 ( 0.400 -0.000 0.698) 0.805 0.950 ( 2.428 -0.000 1.883) 3.073 1.005 ( 2.219 -0.000 1.049) 2.454 1.108 ( 1.845 -0.000 0.227) 1.859 1.132 ( 1.975 -0.000 1.117) 2.269 1.319 ( -2.961 0.000 -0.180) 2.967 1.340 ( -0.052 0.000 -0.644) 0.646 1.409 ( -5.303 0.000 -5.468) 7.617 1.430 ( -3.416 0.000 1.693) 3.813 1.654 ( 3.556 -0.000 2.119) 4.139 1.740 ( -1.145 0.000 3.174) 3.374 1.830 ( 3.268 -0.000 2.939) 4.395 1.854 ( 3.110 -0.000 0.000) 3.110 2.048 ( 1.001 -0.000 -2.522) 2.714 2.195 ( 0.896 -0.000 0.966) 1.318 2.227 ( 4.571 -0.000 0.345) 4.584 2.334 ( 7.791 -0.000 -0.976) 7.852 2.350 ( -5.285 0.000 0.116) 5.286 2.592 ( 5.678 -0.000 3.513) 6.677 2.607 ( -4.187 0.000 1.947) 4.617 2.620 ( -3.085 0.000 -0.999) 3.242 2.738 ( -0.150 0.000 -3.182) 3.186 2.918 ( 0.560 -0.000 -0.654) 0.861 2.984 ( -2.353 0.000 -7.959) 8.299 3.156 ( 7.222 -0.000 5.740) 9.225 3.175 ( -10.967 0.000 -0.636) 10.986 3.420 ( 8.033 -0.000 2.359) 8.372 3.536 ( 2.036 -0.000 0.302) 2.058 3.969 ( -3.022 0.000 -0.923) 3.160 3.984 ( 0.392 -0.000 2.404) 2.436 4.140 ( -5.258 0.000 -2.211) 5.704 4.444 ( 0.865 -0.000 -0.056) 0.867 4.593 ( -0.105 0.000 -0.656) 0.665 4.767 ( 3.525 -0.000 0.573) 3.572 8.509 ( 0.173 -0.000 -0.513) 0.541 8.546 ( -0.437 0.000 -0.788) 0.901 8.635 ( -0.120 0.000 -0.838) 0.846 8.705 ( 0.096 -0.000 2.554) 2.556 8.755 ( 0.381 -0.000 -1.031) 1.099 10.242 ( -1.345 0.000 0.038) 1.345 10.262 ( 1.056 -0.000 1.961) 2.228 10.291 ( -0.494 0.000 -1.705) 1.775 10.332 ( 1.055 -0.000 0.350) 1.112 10.375 ( -1.902 0.000 -0.821) 2.071 ======================= Grid point 170 (87/89) ======================= q-point: ( 0.50 0.33 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.479 ( 1.170 -0.740 -1.265) 1.875 0.498 ( 0.275 -1.440 -0.552) 1.566 0.681 ( 3.112 2.032 -1.034) 3.858 0.719 ( 1.516 1.588 -0.951) 2.393 0.729 ( -0.173 -0.657 0.550) 0.875 0.758 ( -0.910 0.389 2.964) 3.125 0.843 ( 2.935 -1.734 2.230) 4.074 0.880 ( -0.270 -0.063 0.238) 0.365 1.011 ( 2.853 0.915 2.109) 3.664 1.042 ( 2.530 -0.642 0.871) 2.752 1.123 ( 1.378 0.983 -0.061) 1.694 1.161 ( -0.415 -0.413 -2.336) 2.408 1.268 ( -2.982 -0.537 -0.895) 3.160 1.291 ( -1.552 4.435 -0.547) 4.731 1.311 ( -3.511 -1.783 -2.393) 4.608 1.421 ( -1.646 -2.788 0.239) 3.246 1.691 ( 1.634 1.914 1.236) 2.803 1.784 ( 0.244 -4.063 2.069) 4.566 1.878 ( 3.544 2.088 2.162) 4.647 1.937 ( 1.896 -2.568 1.841) 3.685 2.065 ( 4.457 -0.024 -3.342) 5.571 2.199 ( 0.468 1.828 0.996) 2.134 2.225 ( 0.001 2.274 0.087) 2.276 2.300 ( -1.539 -0.347 0.880) 1.807 2.459 ( 1.067 5.401 -2.609) 6.093 2.509 ( 2.815 -0.542 0.501) 2.910 2.519 ( -7.508 0.709 -1.489) 7.687 2.654 ( 1.637 4.358 -0.331) 4.667 2.745 ( 0.164 -2.222 -0.361) 2.257 2.837 ( -1.778 2.602 -4.682) 5.644 2.970 ( -2.346 -5.155 -1.425) 5.840 2.992 ( -8.262 3.593 0.613) 9.030 3.243 ( 2.245 5.692 2.003) 6.438 3.509 ( 6.920 3.297 5.318) 9.329 3.712 ( 6.940 -9.834 3.360) 12.496 3.862 ( -2.723 5.339 -1.270) 6.127 4.066 ( -3.089 -7.620 -2.285) 8.534 4.070 ( -1.454 -2.524 0.633) 2.981 4.440 ( 0.429 2.467 -0.224) 2.514 4.580 ( -0.205 0.610 -0.409) 0.762 4.801 ( 1.616 1.499 0.307) 2.226 8.512 ( 0.282 -0.199 0.217) 0.408 8.541 ( -0.171 -0.752 -0.684) 1.031 8.628 ( -0.060 -0.015 -0.508) 0.512 8.715 ( 0.060 0.479 0.539) 0.723 8.755 ( 0.182 0.204 0.076) 0.284 10.216 ( -1.123 0.550 -0.528) 1.357 10.278 ( 0.369 0.498 -0.046) 0.622 10.289 ( 0.284 0.136 0.386) 0.498 10.344 ( 0.097 -0.484 0.534) 0.728 10.362 ( -0.224 -1.678 -0.795) 1.871 ======================= Grid point 171 (88/89) ======================= q-point: (-0.33 0.33 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 77 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.502 ( 0.000 -2.123 0.000) 2.123 0.506 ( -0.000 -1.064 -0.000) 1.064 0.676 ( -0.000 2.688 0.000) 2.688 0.683 ( 0.000 2.836 -0.000) 2.836 0.724 ( 0.000 0.174 0.000) 0.174 0.786 ( -0.000 -0.897 0.000) 0.897 0.862 ( 0.000 2.222 0.000) 2.222 0.905 ( -0.000 -1.228 0.000) 1.228 1.037 ( -0.000 0.496 -0.000) 0.496 1.097 ( -0.000 -1.934 -0.000) 1.934 1.103 ( 0.000 2.070 0.000) 2.070 1.124 ( -0.000 0.758 0.000) 0.758 1.215 ( -0.000 5.122 0.000) 5.122 1.255 ( -0.000 -1.506 0.000) 1.506 1.309 ( -0.000 -2.380 0.000) 2.380 1.445 ( 0.000 -3.216 0.000) 3.216 1.692 ( -0.000 0.489 0.000) 0.489 1.850 ( 0.000 -4.334 0.000) 4.334 1.898 ( 0.000 1.223 0.000) 1.223 1.972 ( -0.000 0.179 0.000) 0.179 2.084 ( -0.000 1.600 0.000) 1.600 2.189 ( -0.000 6.086 0.000) 6.086 2.205 ( -0.000 -0.376 -0.000) 0.376 2.269 ( -0.000 1.879 0.000) 1.879 2.380 ( 0.000 1.445 0.000) 1.445 2.421 ( 0.000 0.901 0.000) 0.901 2.560 ( -0.000 6.515 -0.000) 6.515 2.595 ( 0.000 4.763 0.000) 4.763 2.748 ( 0.000 3.685 0.000) 3.685 2.787 ( 0.000 -2.240 0.000) 2.240 2.851 ( 0.000 2.567 0.000) 2.567 3.048 ( 0.000 -7.061 0.000) 7.061 3.162 ( 0.000 9.867 0.000) 9.867 3.597 ( -0.000 -3.066 -0.000) 3.066 3.751 ( 0.000 6.385 0.000) 6.385 3.943 ( 0.000 -12.595 0.000) 12.595 4.034 ( -0.000 -2.246 -0.000) 2.246 4.161 ( -0.000 -7.481 0.000) 7.481 4.394 ( -0.000 5.416 0.000) 5.416 4.571 ( -0.000 0.462 0.000) 0.462 4.783 ( -0.000 3.498 0.000) 3.498 8.523 ( -0.000 -0.832 0.000) 0.832 8.547 ( -0.000 -1.107 0.000) 1.107 8.626 ( 0.000 -0.001 0.000) 0.001 8.709 ( -0.000 0.889 0.000) 0.889 8.752 ( 0.000 0.499 0.000) 0.499 10.197 ( -0.000 0.796 0.000) 0.796 10.278 ( 0.000 0.246 0.000) 0.246 10.279 ( -0.000 1.004 0.000) 1.004 10.373 ( 0.000 -1.743 0.000) 1.743 10.373 ( -0.000 -2.303 -0.000) 2.303 ======================= Grid point 178 (89/89) ======================= q-point: (-0.50 -0.50 0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 46 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.477 ( 0.000 -0.000 -0.000) 0.000 0.493 ( 0.000 -0.000 -0.000) 0.000 0.718 ( 0.000 -0.000 -0.000) 0.000 0.726 ( 0.000 -0.000 -0.000) 0.000 0.743 ( -0.000 0.000 0.000) 0.000 0.755 ( 0.000 -0.000 -0.000) 0.000 0.882 ( 0.000 -0.000 -0.000) 0.000 0.886 ( 0.000 -0.000 -0.000) 0.000 1.043 ( 0.000 -0.000 -0.000) 0.000 1.064 ( 0.000 -0.000 0.000) 0.000 1.134 ( 0.000 -0.000 -0.000) 0.000 1.137 ( 0.000 -0.000 0.000) 0.000 1.228 ( 0.000 -0.000 -0.000) 0.000 1.272 ( 0.000 -0.000 -0.000) 0.000 1.302 ( 0.000 -0.000 0.000) 0.000 1.387 ( 0.000 -0.000 -0.000) 0.000 1.730 ( 0.000 -0.000 0.000) 0.000 1.754 ( 0.000 -0.000 -0.000) 0.000 1.924 ( 0.000 -0.000 -0.000) 0.000 1.956 ( 0.000 -0.000 -0.000) 0.000 2.081 ( 0.000 -0.000 -0.000) 0.000 2.214 ( 0.000 -0.000 -0.000) 0.000 2.282 ( 0.000 -0.000 -0.000) 0.000 2.313 ( 0.000 -0.000 -0.000) 0.000 2.380 ( 0.000 -0.000 -0.000) 0.000 2.416 ( 0.000 -0.000 -0.000) 0.000 2.698 ( 0.000 -0.000 0.000) 0.000 2.701 ( -0.000 0.000 -0.000) 0.000 2.725 ( 0.000 -0.000 0.000) 0.000 2.728 ( 0.000 -0.000 0.000) 0.000 2.929 ( 0.000 -0.000 -0.000) 0.000 2.947 ( 0.000 -0.000 -0.000) 0.000 3.310 ( 0.000 -0.000 0.000) 0.000 3.638 ( 0.000 -0.000 0.000) 0.000 3.689 ( 0.000 -0.000 0.000) 0.000 3.890 ( 0.000 -0.000 -0.000) 0.000 3.957 ( 0.000 -0.000 -0.000) 0.000 4.047 ( 0.000 -0.000 0.000) 0.000 4.458 ( 0.000 -0.000 -0.000) 0.000 4.577 ( 0.000 -0.000 -0.000) 0.000 4.824 ( 0.000 -0.000 -0.000) 0.000 8.513 ( 0.000 -0.000 -0.000) 0.000 8.534 ( 0.000 -0.000 -0.000) 0.000 8.625 ( 0.000 -0.000 -0.000) 0.000 8.719 ( 0.000 -0.000 -0.000) 0.000 8.759 ( 0.000 -0.000 -0.000) 0.000 10.208 ( 0.000 -0.000 -0.000) 0.000 10.283 ( 0.000 -0.000 -0.000) 0.000 10.299 ( 0.000 -0.000 -0.000) 0.000 10.337 ( 0.000 -0.000 -0.000) 0.000 10.348 ( 0.000 -0.000 -0.000) 0.000 =================== 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 3/14688 10.0 2.212 1.799 1.811 0.000 0.202 -0.000 3/14688 20.0 0.981 0.707 0.756 0.000 0.126 -0.000 3/14688 30.0 0.638 0.446 0.488 0.000 0.082 -0.000 3/14688 40.0 0.481 0.336 0.370 0.000 0.060 -0.000 3/14688 50.0 0.390 0.275 0.302 0.000 0.047 -0.000 3/14688 60.0 0.330 0.234 0.256 0.000 0.039 -0.000 3/14688 70.0 0.286 0.205 0.223 0.000 0.033 -0.000 3/14688 80.0 0.253 0.183 0.199 0.000 0.029 -0.000 3/14688 90.0 0.226 0.165 0.179 0.000 0.025 -0.000 3/14688 100.0 0.205 0.151 0.163 0.000 0.023 -0.000 3/14688 110.0 0.188 0.139 0.150 0.000 0.020 -0.000 3/14688 120.0 0.173 0.128 0.139 0.000 0.019 -0.000 3/14688 130.0 0.161 0.120 0.130 0.000 0.017 -0.000 3/14688 140.0 0.150 0.112 0.122 0.000 0.016 -0.000 3/14688 150.0 0.140 0.105 0.115 0.000 0.015 -0.000 3/14688 160.0 0.132 0.099 0.109 0.000 0.014 -0.000 3/14688 170.0 0.125 0.094 0.104 0.000 0.013 -0.000 3/14688 180.0 0.118 0.089 0.099 0.000 0.012 -0.000 3/14688 190.0 0.112 0.085 0.094 0.000 0.012 -0.000 3/14688 200.0 0.107 0.081 0.090 0.000 0.011 -0.000 3/14688 210.0 0.102 0.078 0.087 0.000 0.011 -0.000 3/14688 220.0 0.098 0.075 0.083 0.000 0.010 -0.000 3/14688 230.0 0.094 0.072 0.080 0.000 0.010 -0.000 3/14688 240.0 0.090 0.069 0.078 0.000 0.009 -0.000 3/14688 250.0 0.086 0.066 0.075 0.000 0.009 -0.000 3/14688 260.0 0.083 0.064 0.073 0.000 0.008 -0.000 3/14688 270.0 0.080 0.062 0.070 0.000 0.008 -0.000 3/14688 280.0 0.078 0.060 0.068 0.000 0.008 -0.000 3/14688 290.0 0.075 0.058 0.066 0.000 0.008 -0.000 3/14688 300.0 0.073 0.056 0.064 0.000 0.007 -0.000 3/14688 310.0 0.070 0.054 0.062 0.000 0.007 -0.000 3/14688 320.0 0.068 0.053 0.061 0.000 0.007 -0.000 3/14688 330.0 0.066 0.051 0.059 0.000 0.007 -0.000 3/14688 340.0 0.064 0.050 0.058 0.000 0.006 -0.000 3/14688 350.0 0.063 0.049 0.056 0.000 0.006 -0.000 3/14688 360.0 0.061 0.047 0.055 0.000 0.006 -0.000 3/14688 370.0 0.059 0.046 0.054 0.000 0.006 -0.000 3/14688 380.0 0.058 0.045 0.053 0.000 0.006 -0.000 3/14688 390.0 0.056 0.044 0.051 0.000 0.006 -0.000 3/14688 400.0 0.055 0.043 0.050 0.000 0.005 -0.000 3/14688 410.0 0.054 0.042 0.049 0.000 0.005 -0.000 3/14688 420.0 0.053 0.041 0.048 0.000 0.005 -0.000 3/14688 430.0 0.051 0.040 0.047 0.000 0.005 -0.000 3/14688 440.0 0.050 0.039 0.046 0.000 0.005 -0.000 3/14688 450.0 0.049 0.039 0.045 0.000 0.005 -0.000 3/14688 460.0 0.048 0.038 0.045 0.000 0.005 -0.000 3/14688 470.0 0.047 0.037 0.044 0.000 0.005 -0.000 3/14688 480.0 0.046 0.036 0.043 0.000 0.005 -0.000 3/14688 490.0 0.045 0.036 0.042 0.000 0.004 -0.000 3/14688 500.0 0.045 0.035 0.042 0.000 0.004 -0.000 3/14688 510.0 0.044 0.034 0.041 0.000 0.004 -0.000 3/14688 520.0 0.043 0.034 0.040 0.000 0.004 -0.000 3/14688 530.0 0.042 0.033 0.040 0.000 0.004 -0.000 3/14688 540.0 0.041 0.033 0.039 0.000 0.004 -0.000 3/14688 550.0 0.041 0.032 0.038 0.000 0.004 -0.000 3/14688 560.0 0.040 0.031 0.038 0.000 0.004 -0.000 3/14688 570.0 0.039 0.031 0.037 0.000 0.004 -0.000 3/14688 580.0 0.039 0.030 0.037 0.000 0.004 -0.000 3/14688 590.0 0.038 0.030 0.036 0.000 0.004 -0.000 3/14688 600.0 0.037 0.030 0.036 0.000 0.004 -0.000 3/14688 610.0 0.037 0.029 0.035 0.000 0.004 -0.000 3/14688 620.0 0.036 0.029 0.035 0.000 0.004 -0.000 3/14688 630.0 0.036 0.028 0.034 0.000 0.003 -0.000 3/14688 640.0 0.035 0.028 0.034 0.000 0.003 -0.000 3/14688 650.0 0.035 0.027 0.033 0.000 0.003 -0.000 3/14688 660.0 0.034 0.027 0.033 0.000 0.003 -0.000 3/14688 670.0 0.034 0.027 0.032 0.000 0.003 -0.000 3/14688 680.0 0.033 0.026 0.032 0.000 0.003 -0.000 3/14688 690.0 0.033 0.026 0.031 0.000 0.003 -0.000 3/14688 700.0 0.032 0.026 0.031 0.000 0.003 -0.000 3/14688 710.0 0.032 0.025 0.031 0.000 0.003 -0.000 3/14688 720.0 0.031 0.025 0.030 0.000 0.003 -0.000 3/14688 730.0 0.031 0.025 0.030 0.000 0.003 -0.000 3/14688 740.0 0.030 0.024 0.030 0.000 0.003 -0.000 3/14688 750.0 0.030 0.024 0.029 0.000 0.003 -0.000 3/14688 760.0 0.030 0.024 0.029 0.000 0.003 -0.000 3/14688 770.0 0.029 0.023 0.029 0.000 0.003 -0.000 3/14688 780.0 0.029 0.023 0.028 0.000 0.003 -0.000 3/14688 790.0 0.029 0.023 0.028 0.000 0.003 -0.000 3/14688 800.0 0.028 0.023 0.028 0.000 0.003 -0.000 3/14688 810.0 0.028 0.022 0.027 0.000 0.003 -0.000 3/14688 820.0 0.028 0.022 0.027 0.000 0.003 -0.000 3/14688 830.0 0.027 0.022 0.027 0.000 0.003 -0.000 3/14688 840.0 0.027 0.022 0.026 0.000 0.003 -0.000 3/14688 850.0 0.027 0.021 0.026 0.000 0.003 -0.000 3/14688 860.0 0.026 0.021 0.026 0.000 0.003 -0.000 3/14688 870.0 0.026 0.021 0.026 0.000 0.003 -0.000 3/14688 880.0 0.026 0.021 0.025 0.000 0.003 -0.000 3/14688 890.0 0.026 0.020 0.025 0.000 0.002 -0.000 3/14688 900.0 0.025 0.020 0.025 0.000 0.002 -0.000 3/14688 910.0 0.025 0.020 0.025 0.000 0.002 -0.000 3/14688 920.0 0.025 0.020 0.024 0.000 0.002 -0.000 3/14688 930.0 0.024 0.020 0.024 0.000 0.002 -0.000 3/14688 940.0 0.024 0.019 0.024 0.000 0.002 -0.000 3/14688 950.0 0.024 0.019 0.024 0.000 0.002 -0.000 3/14688 960.0 0.024 0.019 0.024 0.000 0.002 -0.000 3/14688 970.0 0.023 0.019 0.023 0.000 0.002 -0.000 3/14688 980.0 0.023 0.019 0.023 0.000 0.002 -0.000 3/14688 990.0 0.023 0.018 0.023 0.000 0.002 -0.000 3/14688 1000.0 0.023 0.018 0.023 0.000 0.002 -0.000 3/14688 Thermal conductivity related properties were written into "kappa-m668.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 18:11:20]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|