----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-08 15:28:48]------------------------- Compiled with OpenMP support (max 32 threads). Running in phonopy.load mode. Python version 3.14.2 Spglib version 2.6.1 Crystal structure was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". Unit of length: angstrom Settings: Supercell: [1 1 2] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: Pnma (62) Number of symmetry operations in supercell: 16 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 5.536120180000000 0.000000000000000 0.000000000000000 b 0.000000000000000 16.845078420000000 0.000000000000000 c 0.000000000000000 0.000000000000000 5.281007690000000 Atomic positions (fractional): *1 Er 0.32669430311598 0.40264032886251 0.03805889870839 167.259 2 Er 0.67330569688402 0.59735967113749 0.96194110129161 167.259 3 Er 0.17330569688402 0.90264032886251 0.53805889870839 167.259 4 Er 0.32669430311598 0.09735967113749 0.03805889870839 167.259 *5 Er 0.26197067370449 0.25000000000000 0.45820706502130 167.259 6 Er 0.17330569688402 0.59735967113749 0.53805889870839 167.259 7 Er 0.23802932629551 0.75000000000000 0.95820706502130 167.259 8 Er 0.67330569688402 0.90264032886251 0.96194110129161 167.259 9 Er 0.76197067370449 0.25000000000000 0.04179293497870 167.259 10 Er 0.82669430311598 0.40264032886251 0.46194110129161 167.259 11 Er 0.82669430311598 0.09735967113749 0.46194110129161 167.259 12 Er 0.73802932629551 0.75000000000000 0.54179293497870 167.259 *13 O 0.46150273815124 0.66859412276901 0.70320672800058 15.999 14 O 0.53849726184876 0.16859412276901 0.29679327199943 15.999 15 O 0.96150273815124 0.83140587723099 0.79679327199942 15.999 16 O 0.03849726184876 0.16859412276901 0.20320672800057 15.999 17 O 0.96150273815124 0.66859412276901 0.79679327199942 15.999 18 O 0.46150273815124 0.83140587723099 0.70320672800058 15.999 19 O 0.03849726184876 0.33140587723099 0.20320672800057 15.999 20 O 0.53849726184876 0.33140587723099 0.29679327199943 15.999 *21 F 0.38589996075394 0.25000000000000 0.86269819742233 18.998 22 F 0.11410003924606 0.75000000000000 0.36269819742233 18.998 *23 F 0.11514658015795 0.48612276572777 0.28430606589305 18.998 *24 F 0.16553125849965 0.37365529551443 0.67272018067306 18.998 25 F 0.83446874150035 0.62634470448557 0.32727981932694 18.998 26 F 0.33446874150035 0.87365529551443 0.17272018067306 18.998 27 F 0.11514658015795 0.01387723427223 0.28430606589305 18.998 28 F 0.88485341984205 0.51387723427223 0.71569393410695 18.998 29 F 0.61514658015795 0.01387723427223 0.21569393410695 18.998 30 F 0.66553125849965 0.12634470448557 0.82727981932694 18.998 31 F 0.88485341984205 0.98612276572777 0.71569393410695 18.998 32 F 0.88589996075394 0.25000000000000 0.63730180257767 18.998 33 F 0.16553125849965 0.12634470448557 0.67272018067306 18.998 34 F 0.38485341984205 0.98612276572777 0.78430606589305 18.998 35 F 0.33446874150035 0.62634470448557 0.17272018067306 18.998 36 F 0.83446874150035 0.87365529551443 0.32727981932694 18.998 37 F 0.38485341984205 0.51387723427223 0.78430606589305 18.998 38 F 0.61514658015795 0.48612276572777 0.21569393410695 18.998 39 F 0.61410003924606 0.75000000000000 0.13730180257767 18.998 40 F 0.66553125849965 0.37365529551443 0.82727981932694 18.998 -------------------------------- unit cell --------------------------------- Lattice vectors: a 5.536120180000000 0.000000000000000 0.000000000000000 b 0.000000000000000 16.845078420000000 0.000000000000000 c 0.000000000000000 0.000000000000000 5.281007690000000 Atomic positions (fractional): *1 Er 0.32669430311598 0.40264032886251 0.03805889870839 167.259 > 1 2 Er 0.67330569688402 0.59735967113749 0.96194110129161 167.259 > 2 3 Er 0.17330569688402 0.90264032886251 0.53805889870839 167.259 > 3 4 Er 0.32669430311598 0.09735967113749 0.03805889870839 167.259 > 4 *5 Er 0.26197067370449 0.25000000000000 0.45820706502130 167.259 > 5 6 Er 0.17330569688402 0.59735967113749 0.53805889870839 167.259 > 6 7 Er 0.23802932629551 0.75000000000000 0.95820706502130 167.259 > 7 8 Er 0.67330569688402 0.90264032886251 0.96194110129161 167.259 > 8 9 Er 0.76197067370449 0.25000000000000 0.04179293497870 167.259 > 9 10 Er 0.82669430311598 0.40264032886251 0.46194110129161 167.259 > 10 11 Er 0.82669430311598 0.09735967113749 0.46194110129161 167.259 > 11 12 Er 0.73802932629551 0.75000000000000 0.54179293497870 167.259 > 12 *13 O 0.46150273815124 0.66859412276901 0.70320672800058 15.999 > 13 14 O 0.53849726184876 0.16859412276901 0.29679327199943 15.999 > 14 15 O 0.96150273815124 0.83140587723099 0.79679327199942 15.999 > 15 16 O 0.03849726184876 0.16859412276901 0.20320672800057 15.999 > 16 17 O 0.96150273815124 0.66859412276901 0.79679327199942 15.999 > 17 18 O 0.46150273815124 0.83140587723099 0.70320672800058 15.999 > 18 19 O 0.03849726184876 0.33140587723099 0.20320672800057 15.999 > 19 20 O 0.53849726184876 0.33140587723099 0.29679327199943 15.999 > 20 *21 F 0.38589996075394 0.25000000000000 0.86269819742233 18.998 > 21 22 F 0.11410003924606 0.75000000000000 0.36269819742233 18.998 > 22 *23 F 0.11514658015795 0.48612276572777 0.28430606589305 18.998 > 23 *24 F 0.16553125849965 0.37365529551443 0.67272018067306 18.998 > 24 25 F 0.83446874150035 0.62634470448557 0.32727981932694 18.998 > 25 26 F 0.33446874150035 0.87365529551443 0.17272018067306 18.998 > 26 27 F 0.11514658015795 0.01387723427223 0.28430606589305 18.998 > 27 28 F 0.88485341984205 0.51387723427223 0.71569393410695 18.998 > 28 29 F 0.61514658015795 0.01387723427223 0.21569393410695 18.998 > 29 30 F 0.66553125849965 0.12634470448557 0.82727981932694 18.998 > 30 31 F 0.88485341984205 0.98612276572777 0.71569393410695 18.998 > 31 32 F 0.88589996075394 0.25000000000000 0.63730180257767 18.998 > 32 33 F 0.16553125849965 0.12634470448557 0.67272018067306 18.998 > 33 34 F 0.38485341984205 0.98612276572777 0.78430606589305 18.998 > 34 35 F 0.33446874150035 0.62634470448557 0.17272018067306 18.998 > 35 36 F 0.83446874150035 0.87365529551443 0.32727981932694 18.998 > 36 37 F 0.38485341984205 0.51387723427223 0.78430606589305 18.998 > 37 38 F 0.61514658015795 0.48612276572777 0.21569393410695 18.998 > 38 39 F 0.61410003924606 0.75000000000000 0.13730180257767 18.998 > 39 40 F 0.66553125849965 0.37365529551443 0.82727981932694 18.998 > 40 -------------------------------- super cell -------------------------------- Lattice vectors: a 5.536120180000000 0.000000000000000 0.000000000000000 b 0.000000000000000 16.845078420000000 0.000000000000000 c 0.000000000000000 0.000000000000000 10.562015380000000 Atomic positions (fractional): *1 Er 0.32669430311598 0.40264032886251 0.01902944935420 167.259 > 1 2 Er 0.32669430311598 0.40264032886251 0.51902944935420 167.259 > 1 3 Er 0.67330569688402 0.59735967113749 0.48097055064580 167.259 > 2 4 Er 0.67330569688402 0.59735967113749 0.98097055064580 167.259 > 2 5 Er 0.17330569688402 0.90264032886251 0.26902944935420 167.259 > 3 6 Er 0.17330569688402 0.90264032886251 0.76902944935420 167.259 > 3 7 Er 0.32669430311598 0.09735967113749 0.01902944935420 167.259 > 4 8 Er 0.32669430311598 0.09735967113749 0.51902944935420 167.259 > 4 *9 Er 0.26197067370449 0.25000000000000 0.22910353251065 167.259 > 5 10 Er 0.26197067370449 0.25000000000000 0.72910353251065 167.259 > 5 11 Er 0.17330569688402 0.59735967113749 0.26902944935420 167.259 > 6 12 Er 0.17330569688402 0.59735967113749 0.76902944935420 167.259 > 6 13 Er 0.23802932629551 0.75000000000000 0.47910353251065 167.259 > 7 14 Er 0.23802932629551 0.75000000000000 0.97910353251065 167.259 > 7 15 Er 0.67330569688402 0.90264032886251 0.48097055064580 167.259 > 8 16 Er 0.67330569688402 0.90264032886251 0.98097055064580 167.259 > 8 17 Er 0.76197067370449 0.25000000000000 0.02089646748935 167.259 > 9 18 Er 0.76197067370449 0.25000000000000 0.52089646748935 167.259 > 9 19 Er 0.82669430311598 0.40264032886251 0.23097055064580 167.259 > 10 20 Er 0.82669430311598 0.40264032886251 0.73097055064580 167.259 > 10 21 Er 0.82669430311598 0.09735967113749 0.23097055064580 167.259 > 11 22 Er 0.82669430311598 0.09735967113749 0.73097055064580 167.259 > 11 23 Er 0.73802932629551 0.75000000000000 0.27089646748935 167.259 > 12 24 Er 0.73802932629551 0.75000000000000 0.77089646748935 167.259 > 12 *25 O 0.46150273815124 0.66859412276901 0.35160336400029 15.999 > 13 26 O 0.46150273815124 0.66859412276901 0.85160336400029 15.999 > 13 27 O 0.53849726184876 0.16859412276901 0.14839663599971 15.999 > 14 28 O 0.53849726184876 0.16859412276901 0.64839663599971 15.999 > 14 29 O 0.96150273815124 0.83140587723099 0.39839663599971 15.999 > 15 30 O 0.96150273815124 0.83140587723099 0.89839663599971 15.999 > 15 31 O 0.03849726184876 0.16859412276901 0.10160336400029 15.999 > 16 32 O 0.03849726184876 0.16859412276901 0.60160336400029 15.999 > 16 33 O 0.96150273815124 0.66859412276901 0.39839663599971 15.999 > 17 34 O 0.96150273815124 0.66859412276901 0.89839663599971 15.999 > 17 35 O 0.46150273815124 0.83140587723099 0.35160336400029 15.999 > 18 36 O 0.46150273815124 0.83140587723099 0.85160336400029 15.999 > 18 37 O 0.03849726184876 0.33140587723099 0.10160336400029 15.999 > 19 38 O 0.03849726184876 0.33140587723099 0.60160336400029 15.999 > 19 39 O 0.53849726184876 0.33140587723099 0.14839663599971 15.999 > 20 40 O 0.53849726184876 0.33140587723099 0.64839663599971 15.999 > 20 *41 F 0.38589996075394 0.25000000000000 0.43134909871117 18.998 > 21 42 F 0.38589996075394 0.25000000000000 0.93134909871117 18.998 > 21 43 F 0.11410003924606 0.75000000000000 0.18134909871117 18.998 > 22 44 F 0.11410003924606 0.75000000000000 0.68134909871117 18.998 > 22 *45 F 0.11514658015795 0.48612276572777 0.14215303294652 18.998 > 23 46 F 0.11514658015795 0.48612276572777 0.64215303294652 18.998 > 23 *47 F 0.16553125849965 0.37365529551443 0.33636009033653 18.998 > 24 48 F 0.16553125849965 0.37365529551443 0.83636009033653 18.998 > 24 49 F 0.83446874150035 0.62634470448557 0.16363990966347 18.998 > 25 50 F 0.83446874150035 0.62634470448557 0.66363990966347 18.998 > 25 51 F 0.33446874150035 0.87365529551443 0.08636009033653 18.998 > 26 52 F 0.33446874150035 0.87365529551443 0.58636009033653 18.998 > 26 53 F 0.11514658015795 0.01387723427223 0.14215303294652 18.998 > 27 54 F 0.11514658015795 0.01387723427223 0.64215303294652 18.998 > 27 55 F 0.88485341984205 0.51387723427223 0.35784696705348 18.998 > 28 56 F 0.88485341984205 0.51387723427223 0.85784696705348 18.998 > 28 57 F 0.61514658015795 0.01387723427223 0.10784696705348 18.998 > 29 58 F 0.61514658015795 0.01387723427223 0.60784696705348 18.998 > 29 59 F 0.66553125849965 0.12634470448557 0.41363990966347 18.998 > 30 60 F 0.66553125849965 0.12634470448557 0.91363990966347 18.998 > 30 61 F 0.88485341984205 0.98612276572777 0.35784696705348 18.998 > 31 62 F 0.88485341984205 0.98612276572777 0.85784696705348 18.998 > 31 63 F 0.88589996075394 0.25000000000000 0.31865090128883 18.998 > 32 64 F 0.88589996075394 0.25000000000000 0.81865090128883 18.998 > 32 65 F 0.16553125849965 0.12634470448557 0.33636009033653 18.998 > 33 66 F 0.16553125849965 0.12634470448557 0.83636009033653 18.998 > 33 67 F 0.38485341984205 0.98612276572777 0.39215303294652 18.998 > 34 68 F 0.38485341984205 0.98612276572777 0.89215303294652 18.998 > 34 69 F 0.33446874150035 0.62634470448557 0.08636009033653 18.998 > 35 70 F 0.33446874150035 0.62634470448557 0.58636009033653 18.998 > 35 71 F 0.83446874150035 0.87365529551443 0.16363990966347 18.998 > 36 72 F 0.83446874150035 0.87365529551443 0.66363990966347 18.998 > 36 73 F 0.38485341984205 0.51387723427223 0.39215303294652 18.998 > 37 74 F 0.38485341984205 0.51387723427223 0.89215303294652 18.998 > 37 75 F 0.61514658015795 0.48612276572777 0.10784696705348 18.998 > 38 76 F 0.61514658015795 0.48612276572777 0.60784696705348 18.998 > 38 77 F 0.61410003924606 0.75000000000000 0.06865090128883 18.998 > 39 78 F 0.61410003924606 0.75000000000000 0.56865090128883 18.998 > 39 79 F 0.66553125849965 0.37365529551443 0.41363990966347 18.998 > 40 80 F 0.66553125849965 0.37365529551443 0.91363990966347 18.998 > 40 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 3.2204493 0.0000000 0.0000000 0.0000000 3.0529315 0.0000000 0.0000000 0.0000000 3.0400496 -------------------------- Born effective charges -------------------------- 1 Er 3.8075927 0.0625544 -0.0125953 0.1048766 3.6476047 -0.3217321 -0.2517684 -0.2259473 3.7083988 2 Er 3.8075927 0.0625544 -0.0125953 0.1048766 3.6476047 -0.3217321 -0.2517684 -0.2259473 3.7083988 3 Er 3.8075927 -0.0625544 0.0125953 -0.1048766 3.6476047 -0.3217321 0.2517684 -0.2259473 3.7083988 4 Er 3.8075927 -0.0625544 -0.0125953 -0.1048766 3.6476047 0.3217321 -0.2517684 0.2259473 3.7083988 5 Er 3.7992494 0.0000000 -0.0365789 0.0000000 3.3172166 -0.0000000 -0.2814481 0.0000000 3.4859963 6 Er 3.8075927 0.0625544 0.0125953 0.1048766 3.6476047 0.3217321 0.2517684 0.2259473 3.7083988 7 Er 3.7992494 0.0000000 0.0365789 0.0000000 3.3172166 -0.0000000 0.2814481 0.0000000 3.4859963 8 Er 3.8075927 -0.0625544 -0.0125953 -0.1048766 3.6476047 0.3217321 -0.2517684 0.2259473 3.7083988 9 Er 3.7992494 0.0000000 0.0365789 0.0000000 3.3172166 -0.0000000 0.2814481 0.0000000 3.4859963 10 Er 3.8075927 0.0625544 0.0125953 0.1048766 3.6476047 0.3217321 0.2517684 0.2259473 3.7083988 11 Er 3.8075927 -0.0625544 0.0125953 -0.1048766 3.6476047 -0.3217321 0.2517684 -0.2259473 3.7083988 12 Er 3.7992494 0.0000000 -0.0365789 0.0000000 3.3172166 -0.0000000 -0.2814481 0.0000000 3.4859963 13 O -2.6304109 -0.1855868 -0.1520555 -0.1948757 -2.0811175 0.0630323 -0.1853209 0.0507868 -1.8145058 14 O -2.6304109 0.1855868 -0.1520555 0.1948757 -2.0811175 -0.0630323 -0.1853209 -0.0507868 -1.8145058 15 O -2.6304109 0.1855868 0.1520555 0.1948757 -2.0811175 0.0630323 0.1853209 0.0507868 -1.8145058 16 O -2.6304109 0.1855868 0.1520555 0.1948757 -2.0811175 0.0630323 0.1853209 0.0507868 -1.8145058 17 O -2.6304109 -0.1855868 0.1520555 -0.1948757 -2.0811175 -0.0630323 0.1853209 -0.0507868 -1.8145058 18 O -2.6304109 0.1855868 -0.1520555 0.1948757 -2.0811175 -0.0630323 -0.1853209 -0.0507868 -1.8145058 19 O -2.6304109 -0.1855868 0.1520555 -0.1948757 -2.0811175 -0.0630323 0.1853209 -0.0507868 -1.8145058 20 O -2.6304109 -0.1855868 -0.1520555 -0.1948757 -2.0811175 0.0630323 -0.1853209 0.0507868 -1.8145058 21 F -1.3100540 0.0000000 -0.4285914 0.0000000 -0.9978987 -0.0000000 -0.3553248 0.0000000 -1.6666558 22 F -1.3100540 0.0000000 0.4285914 0.0000000 -0.9978987 -0.0000000 0.3553248 0.0000000 -1.6666558 23 F -1.1189314 -0.0521119 0.3163219 -0.0776839 -1.7210970 -0.4177166 0.2340170 -0.3531236 -1.1168594 24 F -1.3028480 0.1259463 -0.4784055 0.0897339 -1.0050491 -0.2048281 -0.4774281 -0.2447655 -1.6867039 25 F -1.3028480 0.1259463 -0.4784055 0.0897339 -1.0050491 -0.2048281 -0.4774281 -0.2447655 -1.6867039 26 F -1.3028480 -0.1259463 0.4784055 -0.0897339 -1.0050491 -0.2048281 0.4774281 -0.2447655 -1.6867039 27 F -1.1189314 0.0521119 0.3163219 0.0776839 -1.7210970 0.4177166 0.2340170 0.3531236 -1.1168594 28 F -1.1189314 -0.0521119 0.3163219 -0.0776839 -1.7210970 -0.4177166 0.2340170 -0.3531236 -1.1168594 29 F -1.1189314 0.0521119 -0.3163219 0.0776839 -1.7210970 -0.4177166 -0.2340170 -0.3531236 -1.1168594 30 F -1.3028480 -0.1259463 0.4784055 -0.0897339 -1.0050491 -0.2048281 0.4774281 -0.2447655 -1.6867039 31 F -1.1189314 0.0521119 0.3163219 0.0776839 -1.7210970 0.4177166 0.2340170 0.3531236 -1.1168594 32 F -1.3100540 0.0000000 0.4285914 0.0000000 -0.9978987 -0.0000000 0.3553248 0.0000000 -1.6666558 33 F -1.3028480 -0.1259463 -0.4784055 -0.0897339 -1.0050491 0.2048281 -0.4774281 0.2447655 -1.6867039 34 F -1.1189314 0.0521119 -0.3163219 0.0776839 -1.7210970 -0.4177166 -0.2340170 -0.3531236 -1.1168594 35 F -1.3028480 0.1259463 0.4784055 0.0897339 -1.0050491 0.2048281 0.4774281 0.2447655 -1.6867039 36 F -1.3028480 -0.1259463 -0.4784055 -0.0897339 -1.0050491 0.2048281 -0.4774281 0.2447655 -1.6867039 37 F -1.1189314 -0.0521119 -0.3163219 -0.0776839 -1.7210970 0.4177166 -0.2340170 0.3531236 -1.1168594 38 F -1.1189314 -0.0521119 -0.3163219 -0.0776839 -1.7210970 0.4177166 -0.2340170 0.3531236 -1.1168594 39 F -1.3100540 0.0000000 -0.4285914 0.0000000 -0.9978987 -0.0000000 -0.3553248 0.0000000 -1.6666558 40 F -1.3028480 0.1259463 0.4784055 0.0897339 -1.0050491 0.2048281 0.4774281 0.2447655 -1.6867039 ---------------------------------------------------------------------------- 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: 240/240 Permutation basis: 14520/14520 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 1898 Number of blocks in projector: 1898 Finding block diagonal structure in projector. Using scipy connected_components. Number of blocks in projector (Sum rule): 6 --- Eigsh_solver_block: 1 / 6 --- Block_size: 416 Use standard eigh solver. --- Eigsh_solver_block: 2 / 6 --- Block_size: 384 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 384 Use standard eigh solver. --- Eigsh_solver_block: 4 / 6 --- Block_size: 238 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 238 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 238 Use standard eigh solver. Tree of FC basis block matrices: - (1898, 1852), data: False |-- (238, 232), data: True |-- (238, 232), data: True |-- (238, 232), data: True |-- (384, 376), data: True |-- (384, 376), data: True |-- (416, 404), data: True ----- Solver_atoms: 1 -- 80 / 80 Time (Solver_compr_matrix_reshape): 0.003 Solver_block: 100 / 640 - Time: 0.381 Solver_block: 200 / 640 - Time: 0.345 Solver_block: 300 / 640 - Time: 0.341 Solver_block: 400 / 640 - Time: 0.341 Solver_block: 500 / 640 - Time: 0.341 Solver_block: 600 / 640 - Time: 0.341 Solver_block: 640 / 640 - Time: 0.167 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 2.296 --------------------------------- Symfc end -------------------------------- Max drift of force constants: 0.00000000 (yy) 0.00000000 (yy) Permutation basis: 240/240 Permutation basis: 14520/14520 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 1898 Number of blocks in projector: 1898 Finding block diagonal structure in projector. Using scipy connected_components. Number of blocks in projector (Sum rule): 6 --- Eigsh_solver_block: 1 / 6 --- Block_size: 416 Use standard eigh solver. --- Eigsh_solver_block: 2 / 6 --- Block_size: 384 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 384 Use standard eigh solver. --- Eigsh_solver_block: 4 / 6 --- Block_size: 238 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 238 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 238 Use standard eigh solver. Tree of FC basis block matrices: - (1898, 1852), data: False |-- (238, 232), data: True |-- (238, 232), data: True |-- (238, 232), data: True |-- (384, 376), data: True |-- (384, 376), data: True |-- (416, 404), data: True Max drift after symmetrization by symfc projector: 0.00000000 (yy) 0.00000000 (yy) 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 15:29:12]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 15:29:12]------------------------- Compiled with OpenMP support (max 32 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: force constants HDF5 data compression filter: gzip Crystal structure was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". Supercell (dim): [1 1 2] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: Pnma (62) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 5.536120180000000 0.000000000000000 0.000000000000000 b 0.000000000000000 16.845078420000000 0.000000000000000 c 0.000000000000000 0.000000000000000 5.281007690000000 Atomic positions (fractional): 1 Er 0.32669430311598 0.40264032886251 0.03805889870839 167.259 2 Er 0.67330569688402 0.59735967113749 0.96194110129161 167.259 3 Er 0.17330569688402 0.90264032886251 0.53805889870839 167.259 4 Er 0.32669430311598 0.09735967113749 0.03805889870839 167.259 5 Er 0.26197067370449 0.25000000000000 0.45820706502130 167.259 6 Er 0.17330569688402 0.59735967113749 0.53805889870839 167.259 7 Er 0.23802932629551 0.75000000000000 0.95820706502130 167.259 8 Er 0.67330569688402 0.90264032886251 0.96194110129161 167.259 9 Er 0.76197067370449 0.25000000000000 0.04179293497870 167.259 10 Er 0.82669430311598 0.40264032886251 0.46194110129161 167.259 11 Er 0.82669430311598 0.09735967113749 0.46194110129161 167.259 12 Er 0.73802932629551 0.75000000000000 0.54179293497870 167.259 13 O 0.46150273815124 0.66859412276901 0.70320672800058 15.999 14 O 0.53849726184876 0.16859412276901 0.29679327199943 15.999 15 O 0.96150273815124 0.83140587723099 0.79679327199942 15.999 16 O 0.03849726184876 0.16859412276901 0.20320672800057 15.999 17 O 0.96150273815124 0.66859412276901 0.79679327199942 15.999 18 O 0.46150273815124 0.83140587723099 0.70320672800058 15.999 19 O 0.03849726184876 0.33140587723099 0.20320672800057 15.999 20 O 0.53849726184876 0.33140587723099 0.29679327199943 15.999 21 F 0.38589996075394 0.25000000000000 0.86269819742233 18.998 22 F 0.11410003924606 0.75000000000000 0.36269819742233 18.998 23 F 0.11514658015795 0.48612276572777 0.28430606589305 18.998 24 F 0.16553125849965 0.37365529551443 0.67272018067306 18.998 25 F 0.83446874150035 0.62634470448557 0.32727981932694 18.998 26 F 0.33446874150035 0.87365529551443 0.17272018067306 18.998 27 F 0.11514658015795 0.01387723427223 0.28430606589305 18.998 28 F 0.88485341984205 0.51387723427223 0.71569393410695 18.998 29 F 0.61514658015795 0.01387723427223 0.21569393410695 18.998 30 F 0.66553125849965 0.12634470448557 0.82727981932694 18.998 31 F 0.88485341984205 0.98612276572777 0.71569393410695 18.998 32 F 0.88589996075394 0.25000000000000 0.63730180257767 18.998 33 F 0.16553125849965 0.12634470448557 0.67272018067306 18.998 34 F 0.38485341984205 0.98612276572777 0.78430606589305 18.998 35 F 0.33446874150035 0.62634470448557 0.17272018067306 18.998 36 F 0.83446874150035 0.87365529551443 0.32727981932694 18.998 37 F 0.38485341984205 0.51387723427223 0.78430606589305 18.998 38 F 0.61514658015795 0.48612276572777 0.21569393410695 18.998 39 F 0.61410003924606 0.75000000000000 0.13730180257767 18.998 40 F 0.66553125849965 0.37365529551443 0.82727981932694 18.998 -------------------------------- supercell --------------------------------- Lattice vectors: a 5.536120180000000 0.000000000000000 0.000000000000000 b 0.000000000000000 16.845078420000000 0.000000000000000 c 0.000000000000000 0.000000000000000 10.562015380000000 Atomic positions (fractional): 1 Er 0.32669430311598 0.40264032886251 0.01902944935420 167.259 > 1 2 Er 0.32669430311598 0.40264032886251 0.51902944935420 167.259 > 1 3 Er 0.67330569688402 0.59735967113749 0.48097055064580 167.259 > 3 4 Er 0.67330569688402 0.59735967113749 0.98097055064580 167.259 > 3 5 Er 0.17330569688402 0.90264032886251 0.26902944935420 167.259 > 5 6 Er 0.17330569688402 0.90264032886251 0.76902944935420 167.259 > 5 7 Er 0.32669430311598 0.09735967113749 0.01902944935420 167.259 > 7 8 Er 0.32669430311598 0.09735967113749 0.51902944935420 167.259 > 7 9 Er 0.26197067370449 0.25000000000000 0.22910353251065 167.259 > 9 10 Er 0.26197067370449 0.25000000000000 0.72910353251065 167.259 > 9 11 Er 0.17330569688402 0.59735967113749 0.26902944935420 167.259 > 11 12 Er 0.17330569688402 0.59735967113749 0.76902944935420 167.259 > 11 13 Er 0.23802932629551 0.75000000000000 0.47910353251065 167.259 > 13 14 Er 0.23802932629551 0.75000000000000 0.97910353251065 167.259 > 13 15 Er 0.67330569688402 0.90264032886251 0.48097055064580 167.259 > 15 16 Er 0.67330569688402 0.90264032886251 0.98097055064580 167.259 > 15 17 Er 0.76197067370449 0.25000000000000 0.02089646748935 167.259 > 17 18 Er 0.76197067370449 0.25000000000000 0.52089646748935 167.259 > 17 19 Er 0.82669430311598 0.40264032886251 0.23097055064580 167.259 > 19 20 Er 0.82669430311598 0.40264032886251 0.73097055064580 167.259 > 19 21 Er 0.82669430311598 0.09735967113749 0.23097055064580 167.259 > 21 22 Er 0.82669430311598 0.09735967113749 0.73097055064580 167.259 > 21 23 Er 0.73802932629551 0.75000000000000 0.27089646748935 167.259 > 23 24 Er 0.73802932629551 0.75000000000000 0.77089646748935 167.259 > 23 25 O 0.46150273815124 0.66859412276901 0.35160336400029 15.999 > 25 26 O 0.46150273815124 0.66859412276901 0.85160336400029 15.999 > 25 27 O 0.53849726184876 0.16859412276901 0.14839663599971 15.999 > 27 28 O 0.53849726184876 0.16859412276901 0.64839663599971 15.999 > 27 29 O 0.96150273815124 0.83140587723099 0.39839663599971 15.999 > 29 30 O 0.96150273815124 0.83140587723099 0.89839663599971 15.999 > 29 31 O 0.03849726184876 0.16859412276901 0.10160336400029 15.999 > 31 32 O 0.03849726184876 0.16859412276901 0.60160336400029 15.999 > 31 33 O 0.96150273815124 0.66859412276901 0.39839663599971 15.999 > 33 34 O 0.96150273815124 0.66859412276901 0.89839663599971 15.999 > 33 35 O 0.46150273815124 0.83140587723099 0.35160336400029 15.999 > 35 36 O 0.46150273815124 0.83140587723099 0.85160336400029 15.999 > 35 37 O 0.03849726184876 0.33140587723099 0.10160336400029 15.999 > 37 38 O 0.03849726184876 0.33140587723099 0.60160336400029 15.999 > 37 39 O 0.53849726184876 0.33140587723099 0.14839663599971 15.999 > 39 40 O 0.53849726184876 0.33140587723099 0.64839663599971 15.999 > 39 41 F 0.38589996075394 0.25000000000000 0.43134909871117 18.998 > 41 42 F 0.38589996075394 0.25000000000000 0.93134909871117 18.998 > 41 43 F 0.11410003924606 0.75000000000000 0.18134909871117 18.998 > 43 44 F 0.11410003924606 0.75000000000000 0.68134909871117 18.998 > 43 45 F 0.11514658015795 0.48612276572777 0.14215303294652 18.998 > 45 46 F 0.11514658015795 0.48612276572777 0.64215303294652 18.998 > 45 47 F 0.16553125849965 0.37365529551443 0.33636009033653 18.998 > 47 48 F 0.16553125849965 0.37365529551443 0.83636009033653 18.998 > 47 49 F 0.83446874150035 0.62634470448557 0.16363990966347 18.998 > 49 50 F 0.83446874150035 0.62634470448557 0.66363990966347 18.998 > 49 51 F 0.33446874150035 0.87365529551443 0.08636009033653 18.998 > 51 52 F 0.33446874150035 0.87365529551443 0.58636009033653 18.998 > 51 53 F 0.11514658015795 0.01387723427223 0.14215303294652 18.998 > 53 54 F 0.11514658015795 0.01387723427223 0.64215303294652 18.998 > 53 55 F 0.88485341984205 0.51387723427223 0.35784696705348 18.998 > 55 56 F 0.88485341984205 0.51387723427223 0.85784696705348 18.998 > 55 57 F 0.61514658015795 0.01387723427223 0.10784696705348 18.998 > 57 58 F 0.61514658015795 0.01387723427223 0.60784696705348 18.998 > 57 59 F 0.66553125849965 0.12634470448557 0.41363990966347 18.998 > 59 60 F 0.66553125849965 0.12634470448557 0.91363990966347 18.998 > 59 61 F 0.88485341984205 0.98612276572777 0.35784696705348 18.998 > 61 62 F 0.88485341984205 0.98612276572777 0.85784696705348 18.998 > 61 63 F 0.88589996075394 0.25000000000000 0.31865090128883 18.998 > 63 64 F 0.88589996075394 0.25000000000000 0.81865090128883 18.998 > 63 65 F 0.16553125849965 0.12634470448557 0.33636009033653 18.998 > 65 66 F 0.16553125849965 0.12634470448557 0.83636009033653 18.998 > 65 67 F 0.38485341984205 0.98612276572777 0.39215303294652 18.998 > 67 68 F 0.38485341984205 0.98612276572777 0.89215303294652 18.998 > 67 69 F 0.33446874150035 0.62634470448557 0.08636009033653 18.998 > 69 70 F 0.33446874150035 0.62634470448557 0.58636009033653 18.998 > 69 71 F 0.83446874150035 0.87365529551443 0.16363990966347 18.998 > 71 72 F 0.83446874150035 0.87365529551443 0.66363990966347 18.998 > 71 73 F 0.38485341984205 0.51387723427223 0.39215303294652 18.998 > 73 74 F 0.38485341984205 0.51387723427223 0.89215303294652 18.998 > 73 75 F 0.61514658015795 0.48612276572777 0.10784696705348 18.998 > 75 76 F 0.61514658015795 0.48612276572777 0.60784696705348 18.998 > 75 77 F 0.61410003924606 0.75000000000000 0.06865090128883 18.998 > 77 78 F 0.61410003924606 0.75000000000000 0.56865090128883 18.998 > 77 79 F 0.66553125849965 0.37365529551443 0.41363990966347 18.998 > 79 80 F 0.66553125849965 0.37365529551443 0.91363990966347 18.998 > 79 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 3.2204493 0.0000000 0.0000000 0.0000000 3.0529315 0.0000000 0.0000000 0.0000000 3.0400496 -------------------------- Born effective charges -------------------------- 1 Er 3.8075927 0.0625544 -0.0125953 0.1048766 3.6476047 -0.3217321 -0.2517684 -0.2259473 3.7083988 2 Er 3.8075927 0.0625544 -0.0125953 0.1048766 3.6476047 -0.3217321 -0.2517684 -0.2259473 3.7083988 3 Er 3.8075927 -0.0625544 0.0125953 -0.1048766 3.6476047 -0.3217321 0.2517684 -0.2259473 3.7083988 4 Er 3.8075927 -0.0625544 -0.0125953 -0.1048766 3.6476047 0.3217321 -0.2517684 0.2259473 3.7083988 5 Er 3.7992494 0.0000000 -0.0365789 0.0000000 3.3172166 -0.0000000 -0.2814481 0.0000000 3.4859963 6 Er 3.8075927 0.0625544 0.0125953 0.1048766 3.6476047 0.3217321 0.2517684 0.2259473 3.7083988 7 Er 3.7992494 0.0000000 0.0365789 0.0000000 3.3172166 -0.0000000 0.2814481 0.0000000 3.4859963 8 Er 3.8075927 -0.0625544 -0.0125953 -0.1048766 3.6476047 0.3217321 -0.2517684 0.2259473 3.7083988 9 Er 3.7992494 0.0000000 0.0365789 0.0000000 3.3172166 -0.0000000 0.2814481 0.0000000 3.4859963 10 Er 3.8075927 0.0625544 0.0125953 0.1048766 3.6476047 0.3217321 0.2517684 0.2259473 3.7083988 11 Er 3.8075927 -0.0625544 0.0125953 -0.1048766 3.6476047 -0.3217321 0.2517684 -0.2259473 3.7083988 12 Er 3.7992494 0.0000000 -0.0365789 0.0000000 3.3172166 -0.0000000 -0.2814481 0.0000000 3.4859963 13 O -2.6304109 -0.1855868 -0.1520555 -0.1948757 -2.0811175 0.0630323 -0.1853209 0.0507868 -1.8145058 14 O -2.6304109 0.1855868 -0.1520555 0.1948757 -2.0811175 -0.0630323 -0.1853209 -0.0507868 -1.8145058 15 O -2.6304109 0.1855868 0.1520555 0.1948757 -2.0811175 0.0630323 0.1853209 0.0507868 -1.8145058 16 O -2.6304109 0.1855868 0.1520555 0.1948757 -2.0811175 0.0630323 0.1853209 0.0507868 -1.8145058 17 O -2.6304109 -0.1855868 0.1520555 -0.1948757 -2.0811175 -0.0630323 0.1853209 -0.0507868 -1.8145058 18 O -2.6304109 0.1855868 -0.1520555 0.1948757 -2.0811175 -0.0630323 -0.1853209 -0.0507868 -1.8145058 19 O -2.6304109 -0.1855868 0.1520555 -0.1948757 -2.0811175 -0.0630323 0.1853209 -0.0507868 -1.8145058 20 O -2.6304109 -0.1855868 -0.1520555 -0.1948757 -2.0811175 0.0630323 -0.1853209 0.0507868 -1.8145058 21 F -1.3100540 0.0000000 -0.4285914 0.0000000 -0.9978987 -0.0000000 -0.3553248 0.0000000 -1.6666558 22 F -1.3100540 0.0000000 0.4285914 0.0000000 -0.9978987 -0.0000000 0.3553248 0.0000000 -1.6666558 23 F -1.1189314 -0.0521119 0.3163219 -0.0776839 -1.7210970 -0.4177166 0.2340170 -0.3531236 -1.1168594 24 F -1.3028480 0.1259463 -0.4784055 0.0897339 -1.0050491 -0.2048281 -0.4774281 -0.2447655 -1.6867039 25 F -1.3028480 0.1259463 -0.4784055 0.0897339 -1.0050491 -0.2048281 -0.4774281 -0.2447655 -1.6867039 26 F -1.3028480 -0.1259463 0.4784055 -0.0897339 -1.0050491 -0.2048281 0.4774281 -0.2447655 -1.6867039 27 F -1.1189314 0.0521119 0.3163219 0.0776839 -1.7210970 0.4177166 0.2340170 0.3531236 -1.1168594 28 F -1.1189314 -0.0521119 0.3163219 -0.0776839 -1.7210970 -0.4177166 0.2340170 -0.3531236 -1.1168594 29 F -1.1189314 0.0521119 -0.3163219 0.0776839 -1.7210970 -0.4177166 -0.2340170 -0.3531236 -1.1168594 30 F -1.3028480 -0.1259463 0.4784055 -0.0897339 -1.0050491 -0.2048281 0.4774281 -0.2447655 -1.6867039 31 F -1.1189314 0.0521119 0.3163219 0.0776839 -1.7210970 0.4177166 0.2340170 0.3531236 -1.1168594 32 F -1.3100540 0.0000000 0.4285914 0.0000000 -0.9978987 -0.0000000 0.3553248 0.0000000 -1.6666558 33 F -1.3028480 -0.1259463 -0.4784055 -0.0897339 -1.0050491 0.2048281 -0.4774281 0.2447655 -1.6867039 34 F -1.1189314 0.0521119 -0.3163219 0.0776839 -1.7210970 -0.4177166 -0.2340170 -0.3531236 -1.1168594 35 F -1.3028480 0.1259463 0.4784055 0.0897339 -1.0050491 0.2048281 0.4774281 0.2447655 -1.6867039 36 F -1.3028480 -0.1259463 -0.4784055 -0.0897339 -1.0050491 0.2048281 -0.4774281 0.2447655 -1.6867039 37 F -1.1189314 -0.0521119 -0.3163219 -0.0776839 -1.7210970 0.4177166 -0.2340170 0.3531236 -1.1168594 38 F -1.1189314 -0.0521119 -0.3163219 -0.0776839 -1.7210970 0.4177166 -0.2340170 0.3531236 -1.1168594 39 F -1.3100540 0.0000000 -0.4285914 0.0000000 -0.9978987 -0.0000000 -0.3553248 0.0000000 -1.6666558 40 F -1.3028480 0.1259463 0.4784055 0.0897339 -1.0050491 0.2048281 0.4774281 0.2447655 -1.6867039 ---------------------------------------------------------------------------- Sets of supercell forces were read from "FORCES_FC3.xz". Displacement dataset for fc3 was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". ----------------------------- Force constants ------------------------------ Computing fc3[ 1, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 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] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 25, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 41, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 45, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 47, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Expanding fc3. Symmetrizing fc3 by traditional approach (N=3). Symmetrizing fc2 by traditional approach (N=3). Max drift of fc3: -0.00000000 (zxz) -0.00000000 (zxz) -0.00000000 (zzx) fc3 was written into "fc3.hdf5". Max drift of fc2: -0.00000000 (zx) -0.00000000 (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 15:29:31]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 15:29:31]------------------------- Compiled with OpenMP support (max 32 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: conductivity-RTA HDF5 data compression filter: gzip Crystal structure was read from "phono3py.yaml". Supercell (dim): [1 1 2] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: Pnma (62) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 5.536120180000000 0.000000000000000 0.000000000000000 b 0.000000000000000 16.845078420000000 0.000000000000000 c 0.000000000000000 0.000000000000000 5.281007690000000 Atomic positions (fractional): 1 Er 0.32669430311598 0.40264032886251 0.03805889870839 167.259 2 Er 0.67330569688402 0.59735967113749 0.96194110129161 167.259 3 Er 0.17330569688402 0.90264032886251 0.53805889870839 167.259 4 Er 0.32669430311598 0.09735967113749 0.03805889870839 167.259 5 Er 0.26197067370449 0.25000000000000 0.45820706502130 167.259 6 Er 0.17330569688402 0.59735967113749 0.53805889870839 167.259 7 Er 0.23802932629551 0.75000000000000 0.95820706502130 167.259 8 Er 0.67330569688402 0.90264032886251 0.96194110129161 167.259 9 Er 0.76197067370449 0.25000000000000 0.04179293497870 167.259 10 Er 0.82669430311598 0.40264032886251 0.46194110129161 167.259 11 Er 0.82669430311598 0.09735967113749 0.46194110129161 167.259 12 Er 0.73802932629551 0.75000000000000 0.54179293497870 167.259 13 O 0.46150273815124 0.66859412276901 0.70320672800058 15.999 14 O 0.53849726184876 0.16859412276901 0.29679327199943 15.999 15 O 0.96150273815124 0.83140587723099 0.79679327199942 15.999 16 O 0.03849726184876 0.16859412276901 0.20320672800057 15.999 17 O 0.96150273815124 0.66859412276901 0.79679327199942 15.999 18 O 0.46150273815124 0.83140587723099 0.70320672800058 15.999 19 O 0.03849726184876 0.33140587723099 0.20320672800057 15.999 20 O 0.53849726184876 0.33140587723099 0.29679327199943 15.999 21 F 0.38589996075394 0.25000000000000 0.86269819742233 18.998 22 F 0.11410003924606 0.75000000000000 0.36269819742233 18.998 23 F 0.11514658015795 0.48612276572777 0.28430606589305 18.998 24 F 0.16553125849965 0.37365529551443 0.67272018067306 18.998 25 F 0.83446874150035 0.62634470448557 0.32727981932694 18.998 26 F 0.33446874150035 0.87365529551443 0.17272018067306 18.998 27 F 0.11514658015795 0.01387723427223 0.28430606589305 18.998 28 F 0.88485341984205 0.51387723427223 0.71569393410695 18.998 29 F 0.61514658015795 0.01387723427223 0.21569393410695 18.998 30 F 0.66553125849965 0.12634470448557 0.82727981932694 18.998 31 F 0.88485341984205 0.98612276572777 0.71569393410695 18.998 32 F 0.88589996075394 0.25000000000000 0.63730180257767 18.998 33 F 0.16553125849965 0.12634470448557 0.67272018067306 18.998 34 F 0.38485341984205 0.98612276572777 0.78430606589305 18.998 35 F 0.33446874150035 0.62634470448557 0.17272018067306 18.998 36 F 0.83446874150035 0.87365529551443 0.32727981932694 18.998 37 F 0.38485341984205 0.51387723427223 0.78430606589305 18.998 38 F 0.61514658015795 0.48612276572777 0.21569393410695 18.998 39 F 0.61410003924606 0.75000000000000 0.13730180257767 18.998 40 F 0.66553125849965 0.37365529551443 0.82727981932694 18.998 -------------------------------- supercell --------------------------------- Lattice vectors: a 5.536120180000000 0.000000000000000 0.000000000000000 b 0.000000000000000 16.845078420000000 0.000000000000000 c 0.000000000000000 0.000000000000000 10.562015380000000 Atomic positions (fractional): 1 Er 0.32669430311598 0.40264032886251 0.01902944935420 167.259 > 1 2 Er 0.32669430311598 0.40264032886251 0.51902944935420 167.259 > 1 3 Er 0.67330569688402 0.59735967113749 0.48097055064580 167.259 > 3 4 Er 0.67330569688402 0.59735967113749 0.98097055064580 167.259 > 3 5 Er 0.17330569688402 0.90264032886251 0.26902944935420 167.259 > 5 6 Er 0.17330569688402 0.90264032886251 0.76902944935420 167.259 > 5 7 Er 0.32669430311598 0.09735967113749 0.01902944935420 167.259 > 7 8 Er 0.32669430311598 0.09735967113749 0.51902944935420 167.259 > 7 9 Er 0.26197067370449 0.25000000000000 0.22910353251065 167.259 > 9 10 Er 0.26197067370449 0.25000000000000 0.72910353251065 167.259 > 9 11 Er 0.17330569688402 0.59735967113749 0.26902944935420 167.259 > 11 12 Er 0.17330569688402 0.59735967113749 0.76902944935420 167.259 > 11 13 Er 0.23802932629551 0.75000000000000 0.47910353251065 167.259 > 13 14 Er 0.23802932629551 0.75000000000000 0.97910353251065 167.259 > 13 15 Er 0.67330569688402 0.90264032886251 0.48097055064580 167.259 > 15 16 Er 0.67330569688402 0.90264032886251 0.98097055064580 167.259 > 15 17 Er 0.76197067370449 0.25000000000000 0.02089646748935 167.259 > 17 18 Er 0.76197067370449 0.25000000000000 0.52089646748935 167.259 > 17 19 Er 0.82669430311598 0.40264032886251 0.23097055064580 167.259 > 19 20 Er 0.82669430311598 0.40264032886251 0.73097055064580 167.259 > 19 21 Er 0.82669430311598 0.09735967113749 0.23097055064580 167.259 > 21 22 Er 0.82669430311598 0.09735967113749 0.73097055064580 167.259 > 21 23 Er 0.73802932629551 0.75000000000000 0.27089646748935 167.259 > 23 24 Er 0.73802932629551 0.75000000000000 0.77089646748935 167.259 > 23 25 O 0.46150273815124 0.66859412276901 0.35160336400029 15.999 > 25 26 O 0.46150273815124 0.66859412276901 0.85160336400029 15.999 > 25 27 O 0.53849726184876 0.16859412276901 0.14839663599971 15.999 > 27 28 O 0.53849726184876 0.16859412276901 0.64839663599971 15.999 > 27 29 O 0.96150273815124 0.83140587723099 0.39839663599971 15.999 > 29 30 O 0.96150273815124 0.83140587723099 0.89839663599971 15.999 > 29 31 O 0.03849726184876 0.16859412276901 0.10160336400029 15.999 > 31 32 O 0.03849726184876 0.16859412276901 0.60160336400029 15.999 > 31 33 O 0.96150273815124 0.66859412276901 0.39839663599971 15.999 > 33 34 O 0.96150273815124 0.66859412276901 0.89839663599971 15.999 > 33 35 O 0.46150273815124 0.83140587723099 0.35160336400029 15.999 > 35 36 O 0.46150273815124 0.83140587723099 0.85160336400029 15.999 > 35 37 O 0.03849726184876 0.33140587723099 0.10160336400029 15.999 > 37 38 O 0.03849726184876 0.33140587723099 0.60160336400029 15.999 > 37 39 O 0.53849726184876 0.33140587723099 0.14839663599971 15.999 > 39 40 O 0.53849726184876 0.33140587723099 0.64839663599971 15.999 > 39 41 F 0.38589996075394 0.25000000000000 0.43134909871117 18.998 > 41 42 F 0.38589996075394 0.25000000000000 0.93134909871117 18.998 > 41 43 F 0.11410003924606 0.75000000000000 0.18134909871117 18.998 > 43 44 F 0.11410003924606 0.75000000000000 0.68134909871117 18.998 > 43 45 F 0.11514658015795 0.48612276572777 0.14215303294652 18.998 > 45 46 F 0.11514658015795 0.48612276572777 0.64215303294652 18.998 > 45 47 F 0.16553125849965 0.37365529551443 0.33636009033653 18.998 > 47 48 F 0.16553125849965 0.37365529551443 0.83636009033653 18.998 > 47 49 F 0.83446874150035 0.62634470448557 0.16363990966347 18.998 > 49 50 F 0.83446874150035 0.62634470448557 0.66363990966347 18.998 > 49 51 F 0.33446874150035 0.87365529551443 0.08636009033653 18.998 > 51 52 F 0.33446874150035 0.87365529551443 0.58636009033653 18.998 > 51 53 F 0.11514658015795 0.01387723427223 0.14215303294652 18.998 > 53 54 F 0.11514658015795 0.01387723427223 0.64215303294652 18.998 > 53 55 F 0.88485341984205 0.51387723427223 0.35784696705348 18.998 > 55 56 F 0.88485341984205 0.51387723427223 0.85784696705348 18.998 > 55 57 F 0.61514658015795 0.01387723427223 0.10784696705348 18.998 > 57 58 F 0.61514658015795 0.01387723427223 0.60784696705348 18.998 > 57 59 F 0.66553125849965 0.12634470448557 0.41363990966347 18.998 > 59 60 F 0.66553125849965 0.12634470448557 0.91363990966347 18.998 > 59 61 F 0.88485341984205 0.98612276572777 0.35784696705348 18.998 > 61 62 F 0.88485341984205 0.98612276572777 0.85784696705348 18.998 > 61 63 F 0.88589996075394 0.25000000000000 0.31865090128883 18.998 > 63 64 F 0.88589996075394 0.25000000000000 0.81865090128883 18.998 > 63 65 F 0.16553125849965 0.12634470448557 0.33636009033653 18.998 > 65 66 F 0.16553125849965 0.12634470448557 0.83636009033653 18.998 > 65 67 F 0.38485341984205 0.98612276572777 0.39215303294652 18.998 > 67 68 F 0.38485341984205 0.98612276572777 0.89215303294652 18.998 > 67 69 F 0.33446874150035 0.62634470448557 0.08636009033653 18.998 > 69 70 F 0.33446874150035 0.62634470448557 0.58636009033653 18.998 > 69 71 F 0.83446874150035 0.87365529551443 0.16363990966347 18.998 > 71 72 F 0.83446874150035 0.87365529551443 0.66363990966347 18.998 > 71 73 F 0.38485341984205 0.51387723427223 0.39215303294652 18.998 > 73 74 F 0.38485341984205 0.51387723427223 0.89215303294652 18.998 > 73 75 F 0.61514658015795 0.48612276572777 0.10784696705348 18.998 > 75 76 F 0.61514658015795 0.48612276572777 0.60784696705348 18.998 > 75 77 F 0.61410003924606 0.75000000000000 0.06865090128883 18.998 > 77 78 F 0.61410003924606 0.75000000000000 0.56865090128883 18.998 > 77 79 F 0.66553125849965 0.37365529551443 0.41363990966347 18.998 > 79 80 F 0.66553125849965 0.37365529551443 0.91363990966347 18.998 > 79 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 3.2204493 0.0000000 0.0000000 0.0000000 3.0529315 0.0000000 0.0000000 0.0000000 3.0400496 -------------------------- Born effective charges -------------------------- 1 Er 3.8075927 0.0625544 -0.0125953 0.1048766 3.6476047 -0.3217321 -0.2517684 -0.2259473 3.7083988 2 Er 3.8075927 0.0625544 -0.0125953 0.1048766 3.6476047 -0.3217321 -0.2517684 -0.2259473 3.7083988 3 Er 3.8075927 -0.0625544 0.0125953 -0.1048766 3.6476047 -0.3217321 0.2517684 -0.2259473 3.7083988 4 Er 3.8075927 -0.0625544 -0.0125953 -0.1048766 3.6476047 0.3217321 -0.2517684 0.2259473 3.7083988 5 Er 3.7992494 0.0000000 -0.0365789 0.0000000 3.3172166 -0.0000000 -0.2814481 0.0000000 3.4859963 6 Er 3.8075927 0.0625544 0.0125953 0.1048766 3.6476047 0.3217321 0.2517684 0.2259473 3.7083988 7 Er 3.7992494 0.0000000 0.0365789 0.0000000 3.3172166 -0.0000000 0.2814481 0.0000000 3.4859963 8 Er 3.8075927 -0.0625544 -0.0125953 -0.1048766 3.6476047 0.3217321 -0.2517684 0.2259473 3.7083988 9 Er 3.7992494 0.0000000 0.0365789 0.0000000 3.3172166 -0.0000000 0.2814481 0.0000000 3.4859963 10 Er 3.8075927 0.0625544 0.0125953 0.1048766 3.6476047 0.3217321 0.2517684 0.2259473 3.7083988 11 Er 3.8075927 -0.0625544 0.0125953 -0.1048766 3.6476047 -0.3217321 0.2517684 -0.2259473 3.7083988 12 Er 3.7992494 0.0000000 -0.0365789 0.0000000 3.3172166 -0.0000000 -0.2814481 0.0000000 3.4859963 13 O -2.6304109 -0.1855868 -0.1520555 -0.1948757 -2.0811175 0.0630323 -0.1853209 0.0507868 -1.8145058 14 O -2.6304109 0.1855868 -0.1520555 0.1948757 -2.0811175 -0.0630323 -0.1853209 -0.0507868 -1.8145058 15 O -2.6304109 0.1855868 0.1520555 0.1948757 -2.0811175 0.0630323 0.1853209 0.0507868 -1.8145058 16 O -2.6304109 0.1855868 0.1520555 0.1948757 -2.0811175 0.0630323 0.1853209 0.0507868 -1.8145058 17 O -2.6304109 -0.1855868 0.1520555 -0.1948757 -2.0811175 -0.0630323 0.1853209 -0.0507868 -1.8145058 18 O -2.6304109 0.1855868 -0.1520555 0.1948757 -2.0811175 -0.0630323 -0.1853209 -0.0507868 -1.8145058 19 O -2.6304109 -0.1855868 0.1520555 -0.1948757 -2.0811175 -0.0630323 0.1853209 -0.0507868 -1.8145058 20 O -2.6304109 -0.1855868 -0.1520555 -0.1948757 -2.0811175 0.0630323 -0.1853209 0.0507868 -1.8145058 21 F -1.3100540 0.0000000 -0.4285914 0.0000000 -0.9978987 -0.0000000 -0.3553248 0.0000000 -1.6666558 22 F -1.3100540 0.0000000 0.4285914 0.0000000 -0.9978987 -0.0000000 0.3553248 0.0000000 -1.6666558 23 F -1.1189314 -0.0521119 0.3163219 -0.0776839 -1.7210970 -0.4177166 0.2340170 -0.3531236 -1.1168594 24 F -1.3028480 0.1259463 -0.4784055 0.0897339 -1.0050491 -0.2048281 -0.4774281 -0.2447655 -1.6867039 25 F -1.3028480 0.1259463 -0.4784055 0.0897339 -1.0050491 -0.2048281 -0.4774281 -0.2447655 -1.6867039 26 F -1.3028480 -0.1259463 0.4784055 -0.0897339 -1.0050491 -0.2048281 0.4774281 -0.2447655 -1.6867039 27 F -1.1189314 0.0521119 0.3163219 0.0776839 -1.7210970 0.4177166 0.2340170 0.3531236 -1.1168594 28 F -1.1189314 -0.0521119 0.3163219 -0.0776839 -1.7210970 -0.4177166 0.2340170 -0.3531236 -1.1168594 29 F -1.1189314 0.0521119 -0.3163219 0.0776839 -1.7210970 -0.4177166 -0.2340170 -0.3531236 -1.1168594 30 F -1.3028480 -0.1259463 0.4784055 -0.0897339 -1.0050491 -0.2048281 0.4774281 -0.2447655 -1.6867039 31 F -1.1189314 0.0521119 0.3163219 0.0776839 -1.7210970 0.4177166 0.2340170 0.3531236 -1.1168594 32 F -1.3100540 0.0000000 0.4285914 0.0000000 -0.9978987 -0.0000000 0.3553248 0.0000000 -1.6666558 33 F -1.3028480 -0.1259463 -0.4784055 -0.0897339 -1.0050491 0.2048281 -0.4774281 0.2447655 -1.6867039 34 F -1.1189314 0.0521119 -0.3163219 0.0776839 -1.7210970 -0.4177166 -0.2340170 -0.3531236 -1.1168594 35 F -1.3028480 0.1259463 0.4784055 0.0897339 -1.0050491 0.2048281 0.4774281 0.2447655 -1.6867039 36 F -1.3028480 -0.1259463 -0.4784055 -0.0897339 -1.0050491 0.2048281 -0.4774281 0.2447655 -1.6867039 37 F -1.1189314 -0.0521119 -0.3163219 -0.0776839 -1.7210970 0.4177166 -0.2340170 0.3531236 -1.1168594 38 F -1.1189314 -0.0521119 -0.3163219 -0.0776839 -1.7210970 0.4177166 -0.2340170 0.3531236 -1.1168594 39 F -1.3100540 0.0000000 -0.4285914 0.0000000 -0.9978987 -0.0000000 -0.3553248 0.0000000 -1.6666558 40 F -1.3028480 0.1259463 0.4784055 0.0897339 -1.0050491 0.2048281 0.4774281 0.2447655 -1.6867039 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: -0.00000000 (zxz) -0.00000000 (zxz) -0.00000000 (zzx) Max drift of fc2: 0.00000000 (yy) 0.00000000 (yy) --------------------------- 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 ... [ 9 3 9 ] 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: 289, Lambda: 0.10 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/50) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 50 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.000 ( 0.000 0.000 0.000) 0.000 0.000 ( 0.000 0.000 0.000) 0.000 0.000 ( 0.000 0.000 0.000) 0.000 1.060 ( 0.000 0.000 0.000) 0.000 1.217 ( 0.000 0.000 0.000) 0.000 1.453 ( 0.000 0.000 0.000) 0.000 1.827 ( 0.000 0.000 0.000) 0.000 1.884 ( 0.000 0.000 0.000) 0.000 2.220 ( 0.000 0.000 0.000) 0.000 2.249 ( 0.000 0.000 0.000) 0.000 2.522 ( 0.000 0.000 0.000) 0.000 2.737 ( 0.000 0.000 0.000) 0.000 2.942 ( 0.000 0.000 0.000) 0.000 2.951 ( 0.000 0.000 0.000) 0.000 2.980 ( 0.000 0.000 0.000) 0.000 3.036 ( 0.000 0.000 0.000) 0.000 3.283 ( 0.000 0.000 0.000) 0.000 3.387 ( 0.000 0.000 0.000) 0.000 3.802 ( 0.000 0.000 0.000) 0.000 3.842 ( 0.000 0.000 0.000) 0.000 3.952 ( 0.000 0.000 0.000) 0.000 3.960 ( 0.000 0.000 0.000) 0.000 4.078 ( 0.000 0.000 0.000) 0.000 4.115 ( 0.000 0.000 0.000) 0.000 4.117 ( 0.000 0.000 0.000) 0.000 4.132 ( 0.000 0.000 0.000) 0.000 4.146 ( 0.000 0.000 0.000) 0.000 4.182 ( 0.000 0.000 0.000) 0.000 4.208 ( 0.000 0.000 0.000) 0.000 4.307 ( 0.000 0.000 0.000) 0.000 4.485 ( 0.000 0.000 0.000) 0.000 4.712 ( 0.000 0.000 0.000) 0.000 4.722 ( 0.000 0.000 0.000) 0.000 5.045 ( 0.000 0.000 0.000) 0.000 5.084 ( 0.000 0.000 0.000) 0.000 5.150 ( 0.000 0.000 0.000) 0.000 5.419 ( 0.000 0.000 0.000) 0.000 5.626 ( 0.000 0.000 0.000) 0.000 5.694 ( 0.000 0.000 0.000) 0.000 5.700 ( 0.000 0.000 0.000) 0.000 5.711 ( 0.000 0.000 0.000) 0.000 5.770 ( 0.000 0.000 0.000) 0.000 5.950 ( 0.000 0.000 0.000) 0.000 5.958 ( 0.000 0.000 0.000) 0.000 6.007 ( 0.000 0.000 0.000) 0.000 6.030 ( 0.000 0.000 0.000) 0.000 6.139 ( 0.000 0.000 0.000) 0.000 6.303 ( 0.000 0.000 0.000) 0.000 6.370 ( 0.000 0.000 0.000) 0.000 6.396 ( 0.000 0.000 0.000) 0.000 6.558 ( 0.000 0.000 0.000) 0.000 6.683 ( 0.000 0.000 0.000) 0.000 6.807 ( 0.000 0.000 0.000) 0.000 6.808 ( 0.000 0.000 0.000) 0.000 6.815 ( 0.000 0.000 0.000) 0.000 7.080 ( 0.000 0.000 0.000) 0.000 7.315 ( 0.000 0.000 0.000) 0.000 7.326 ( 0.000 0.000 0.000) 0.000 7.455 ( 0.000 0.000 0.000) 0.000 7.568 ( 0.000 0.000 0.000) 0.000 7.598 ( 0.000 0.000 0.000) 0.000 7.721 ( 0.000 0.000 0.000) 0.000 7.896 ( 0.000 0.000 0.000) 0.000 7.967 ( 0.000 0.000 0.000) 0.000 7.971 ( 0.000 0.000 0.000) 0.000 8.129 ( 0.000 0.000 0.000) 0.000 8.288 ( 0.000 0.000 0.000) 0.000 8.767 ( 0.000 0.000 0.000) 0.000 8.794 ( 0.000 0.000 0.000) 0.000 9.047 ( 0.000 0.000 0.000) 0.000 9.338 ( 0.000 0.000 0.000) 0.000 9.515 ( 0.000 0.000 0.000) 0.000 9.692 ( 0.000 0.000 0.000) 0.000 9.737 ( 0.000 0.000 0.000) 0.000 9.751 ( 0.000 0.000 0.000) 0.000 9.843 ( 0.000 0.000 0.000) 0.000 9.908 ( 0.000 0.000 0.000) 0.000 10.032 ( 0.000 0.000 0.000) 0.000 10.052 ( 0.000 0.000 0.000) 0.000 10.131 ( 0.000 0.000 0.000) 0.000 10.144 ( 0.000 0.000 0.000) 0.000 10.311 ( 0.000 0.000 0.000) 0.000 10.564 ( 0.000 0.000 0.000) 0.000 10.584 ( 0.000 0.000 0.000) 0.000 10.692 ( 0.000 0.000 0.000) 0.000 11.086 ( 0.000 0.000 0.000) 0.000 11.102 ( 0.000 0.000 0.000) 0.000 11.173 ( 0.000 0.000 0.000) 0.000 11.402 ( 0.000 0.000 0.000) 0.000 11.419 ( 0.000 0.000 0.000) 0.000 11.430 ( 0.000 0.000 0.000) 0.000 11.548 ( 0.000 0.000 0.000) 0.000 11.554 ( 0.000 0.000 0.000) 0.000 12.309 ( 0.000 0.000 0.000) 0.000 12.388 ( 0.000 0.000 0.000) 0.000 12.398 ( 0.000 0.000 0.000) 0.000 12.475 ( 0.000 0.000 0.000) 0.000 12.518 ( 0.000 0.000 0.000) 0.000 12.568 ( 0.000 0.000 0.000) 0.000 12.682 ( 0.000 0.000 0.000) 0.000 12.776 ( 0.000 0.000 0.000) 0.000 13.411 ( 0.000 0.000 0.000) 0.000 13.467 ( 0.000 0.000 0.000) 0.000 13.803 ( 0.000 0.000 0.000) 0.000 13.864 ( 0.000 0.000 0.000) 0.000 13.943 ( 0.000 0.000 0.000) 0.000 14.345 ( 0.000 0.000 0.000) 0.000 14.432 ( 0.000 0.000 0.000) 0.000 14.555 ( 0.000 0.000 0.000) 0.000 14.646 ( 0.000 0.000 0.000) 0.000 15.988 ( 0.000 0.000 0.000) 0.000 16.132 ( 0.000 0.000 0.000) 0.000 16.178 ( 0.000 0.000 0.000) 0.000 17.358 ( 0.000 0.000 0.000) 0.000 17.359 ( 0.000 0.000 0.000) 0.000 17.481 ( 0.000 0.000 0.000) 0.000 17.872 ( 0.000 0.000 0.000) 0.000 17.890 ( 0.000 0.000 0.000) 0.000 18.032 ( 0.000 0.000 0.000) 0.000 18.113 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/50) ======================= q-point: ( 0.11 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 50 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.474 ( 23.495 0.000 0.000) 23.495 0.533 ( 26.562 0.000 0.000) 26.562 0.917 ( 45.270 0.000 0.000) 45.270 1.224 ( 15.073 0.000 0.000) 15.073 1.482 ( 21.474 0.000 0.000) 21.474 1.539 ( 8.453 0.000 0.000) 8.453 1.824 ( -5.146 0.000 0.000) 5.146 1.844 ( 2.312 0.000 0.000) 2.312 2.088 ( -7.531 0.000 0.000) 7.531 2.415 ( 17.703 0.000 0.000) 17.703 2.796 ( 6.371 0.000 0.000) 6.371 2.832 ( 21.786 0.000 0.000) 21.786 2.947 ( -0.405 0.000 0.000) 0.405 2.993 ( 2.614 0.000 0.000) 2.614 3.043 ( 7.461 0.000 0.000) 7.461 3.090 ( 4.930 0.000 0.000) 4.930 3.414 ( 11.316 0.000 0.000) 11.316 3.470 ( 5.260 0.000 0.000) 5.260 3.712 ( -8.691 0.000 0.000) 8.691 3.811 ( 0.542 0.000 0.000) 0.542 3.951 ( -0.094 0.000 0.000) 0.094 3.999 ( 2.760 0.000 0.000) 2.760 4.050 ( -6.040 0.000 0.000) 6.040 4.095 ( 1.810 0.000 0.000) 1.810 4.100 ( -2.139 0.000 0.000) 2.139 4.118 ( -2.017 0.000 0.000) 2.017 4.173 ( -3.362 0.000 0.000) 3.362 4.208 ( -5.565 0.000 0.000) 5.565 4.272 ( 11.817 0.000 0.000) 11.817 4.287 ( 3.890 0.000 0.000) 3.890 4.523 ( 3.684 0.000 0.000) 3.684 4.704 ( -0.098 0.000 0.000) 0.098 4.767 ( 4.676 0.000 0.000) 4.676 4.996 ( -7.496 0.000 0.000) 7.496 5.061 ( 1.263 0.000 0.000) 1.263 5.160 ( 1.198 0.000 0.000) 1.198 5.375 ( -4.269 0.000 0.000) 4.269 5.668 ( 3.846 0.000 0.000) 3.846 5.700 ( 0.460 0.000 0.000) 0.460 5.714 ( -0.015 0.000 0.000) 0.015 5.740 ( 2.889 0.000 0.000) 2.889 5.853 ( -7.894 0.000 0.000) 7.894 5.935 ( -2.511 0.000 0.000) 2.511 5.984 ( -2.093 0.000 0.000) 2.093 6.005 ( -2.283 0.000 0.000) 2.283 6.119 ( -1.954 0.000 0.000) 1.954 6.122 ( -2.823 0.000 0.000) 2.823 6.265 ( -3.557 0.000 0.000) 3.557 6.338 ( -3.095 0.000 0.000) 3.095 6.585 ( 1.940 0.000 0.000) 1.940 6.637 ( -6.396 0.000 0.000) 6.396 6.734 ( 3.505 0.000 0.000) 3.505 6.794 ( -0.986 0.000 0.000) 0.986 6.862 ( 4.306 0.000 0.000) 4.306 6.949 ( 5.593 0.000 0.000) 5.593 7.039 ( -4.104 0.000 0.000) 4.104 7.280 ( -3.271 0.000 0.000) 3.271 7.304 ( -2.072 0.000 0.000) 2.072 7.431 ( -2.347 0.000 0.000) 2.347 7.560 ( -3.643 0.000 0.000) 3.643 7.622 ( 4.533 0.000 0.000) 4.533 7.790 ( 6.538 0.000 0.000) 6.538 7.864 ( -2.317 0.000 0.000) 2.317 7.984 ( 1.190 0.000 0.000) 1.190 7.998 ( 2.269 0.000 0.000) 2.269 8.164 ( 3.492 0.000 0.000) 3.492 8.339 ( 4.785 0.000 0.000) 4.785 8.766 ( 0.080 0.000 0.000) 0.080 8.955 ( -5.776 0.000 0.000) 5.776 9.160 ( 5.778 0.000 0.000) 5.778 9.344 ( 0.232 0.000 0.000) 0.232 9.520 ( 0.600 0.000 0.000) 0.600 9.636 ( -7.101 0.000 0.000) 7.101 9.641 ( -5.140 0.000 0.000) 5.140 9.744 ( -0.630 0.000 0.000) 0.630 9.858 ( -4.587 0.000 0.000) 4.587 9.891 ( 1.992 0.000 0.000) 1.992 9.968 ( -5.037 0.000 0.000) 5.037 9.988 ( -8.327 0.000 0.000) 8.327 10.063 ( 1.311 0.000 0.000) 1.311 10.376 ( 0.335 0.000 0.000) 0.335 10.437 ( 10.692 0.000 0.000) 10.692 10.652 ( 5.612 0.000 0.000) 5.612 10.911 ( 20.370 0.000 0.000) 20.370 11.066 ( -2.005 0.000 0.000) 2.005 11.103 ( -0.055 0.000 0.000) 0.055 11.150 ( -2.259 0.000 0.000) 2.259 11.391 ( -2.621 0.000 0.000) 2.621 11.400 ( -2.424 0.000 0.000) 2.424 11.433 ( 3.142 0.000 0.000) 3.142 11.524 ( -2.859 0.000 0.000) 2.859 11.554 ( 0.581 0.000 0.000) 0.581 11.760 ( 6.929 0.000 0.000) 6.929 12.342 ( 2.953 0.000 0.000) 2.953 12.367 ( -12.706 0.000 0.000) 12.706 12.424 ( 2.855 0.000 0.000) 2.855 12.495 ( 1.952 0.000 0.000) 1.952 12.550 ( -1.830 0.000 0.000) 1.830 12.674 ( -0.937 0.000 0.000) 0.937 12.791 ( 1.371 0.000 0.000) 1.371 13.151 ( 9.403 0.000 0.000) 9.403 13.471 ( -9.586 0.000 0.000) 9.586 13.535 ( 12.433 0.000 0.000) 12.433 13.643 ( 16.527 0.000 0.000) 16.527 14.363 ( 1.629 0.000 0.000) 1.629 14.450 ( 1.558 0.000 0.000) 1.558 14.539 ( -1.417 0.000 0.000) 1.417 14.635 ( -1.028 0.000 0.000) 1.028 14.648 ( 39.539 0.000 0.000) 39.539 15.917 ( -6.808 0.000 0.000) 6.808 16.093 ( -3.607 0.000 0.000) 3.607 16.147 ( -2.891 0.000 0.000) 2.891 16.772 ( -5.740 0.000 0.000) 5.740 17.086 ( -24.967 0.000 0.000) 24.967 17.269 ( -8.962 0.000 0.000) 8.962 17.389 ( -9.034 0.000 0.000) 9.034 17.838 ( -5.080 0.000 0.000) 5.080 17.982 ( -4.947 0.000 0.000) 4.947 18.063 ( -4.850 0.000 0.000) 4.850 18.437 ( -8.292 0.000 0.000) 8.292 ======================= Grid point 2 (3/50) ======================= q-point: ( 0.22 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 50 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.922 ( 20.122 0.000 0.000) 20.122 1.064 ( 26.171 0.000 0.000) 26.171 1.589 ( 16.974 0.000 0.000) 16.974 1.729 ( -0.648 0.000 0.000) 0.648 1.781 ( 15.261 0.000 0.000) 15.261 1.793 ( 40.569 0.000 0.000) 40.569 1.894 ( 17.789 0.000 0.000) 17.789 1.924 ( 5.595 0.000 0.000) 5.595 2.054 ( 5.126 0.000 0.000) 5.126 2.856 ( 24.045 0.000 0.000) 24.045 2.927 ( -1.771 0.000 0.000) 1.771 3.000 ( 12.850 0.000 0.000) 12.850 3.043 ( 1.946 0.000 0.000) 1.946 3.196 ( 9.279 0.000 0.000) 9.279 3.204 ( 6.489 0.000 0.000) 6.489 3.218 ( 7.479 0.000 0.000) 7.479 3.536 ( -3.920 0.000 0.000) 3.920 3.653 ( 12.425 0.000 0.000) 12.425 3.671 ( 9.616 0.000 0.000) 9.616 3.838 ( -5.345 0.000 0.000) 5.345 3.886 ( -9.182 0.000 0.000) 9.182 3.944 ( -0.748 0.000 0.000) 0.748 4.023 ( -0.739 0.000 0.000) 0.739 4.035 ( -4.232 0.000 0.000) 4.232 4.037 ( 4.940 0.000 0.000) 4.940 4.071 ( -6.433 0.000 0.000) 6.433 4.129 ( 0.106 0.000 0.000) 0.106 4.161 ( 4.286 0.000 0.000) 4.286 4.430 ( 8.280 0.000 0.000) 8.280 4.572 ( 16.661 0.000 0.000) 16.661 4.629 ( 6.900 0.000 0.000) 6.900 4.723 ( 1.689 0.000 0.000) 1.689 4.832 ( -7.520 0.000 0.000) 7.520 4.928 ( 11.565 0.000 0.000) 11.565 5.079 ( -0.152 0.000 0.000) 0.152 5.206 ( 3.507 0.000 0.000) 3.507 5.258 ( -6.543 0.000 0.000) 6.543 5.677 ( -4.129 0.000 0.000) 4.129 5.701 ( -0.911 0.000 0.000) 0.911 5.724 ( -3.441 0.000 0.000) 3.441 5.758 ( 4.385 0.000 0.000) 4.385 5.779 ( 0.216 0.000 0.000) 0.216 5.840 ( -7.447 0.000 0.000) 7.447 5.936 ( -2.104 0.000 0.000) 2.104 5.955 ( -2.058 0.000 0.000) 2.058 6.046 ( -4.766 0.000 0.000) 4.766 6.062 ( -3.825 0.000 0.000) 3.825 6.166 ( -6.205 0.000 0.000) 6.205 6.249 ( -5.504 0.000 0.000) 5.504 6.522 ( -4.867 0.000 0.000) 4.867 6.628 ( 2.710 0.000 0.000) 2.710 6.763 ( -1.674 0.000 0.000) 1.674 6.781 ( 0.270 0.000 0.000) 0.270 6.916 ( -8.106 0.000 0.000) 8.106 6.959 ( 4.859 0.000 0.000) 4.859 7.036 ( 3.021 0.000 0.000) 3.021 7.194 ( -5.043 0.000 0.000) 5.043 7.247 ( -3.473 0.000 0.000) 3.473 7.365 ( -4.001 0.000 0.000) 4.001 7.463 ( -5.673 0.000 0.000) 5.673 7.750 ( 7.436 0.000 0.000) 7.436 7.821 ( -1.802 0.000 0.000) 1.802 7.964 ( 10.456 0.000 0.000) 10.456 8.014 ( 1.871 0.000 0.000) 1.871 8.045 ( 2.326 0.000 0.000) 2.326 8.267 ( 6.565 0.000 0.000) 6.565 8.466 ( 7.502 0.000 0.000) 7.502 8.775 ( 0.750 0.000 0.000) 0.750 8.828 ( -6.302 0.000 0.000) 6.302 9.290 ( 7.053 0.000 0.000) 7.053 9.322 ( -3.230 0.000 0.000) 3.230 9.479 ( -8.493 0.000 0.000) 8.493 9.486 ( -10.114 0.000 0.000) 10.114 9.545 ( 2.028 0.000 0.000) 2.028 9.726 ( -1.106 0.000 0.000) 1.106 9.751 ( -5.120 0.000 0.000) 5.120 9.863 ( -5.083 0.000 0.000) 5.083 9.903 ( -0.606 0.000 0.000) 0.606 9.925 ( 1.680 0.000 0.000) 1.680 10.108 ( 3.101 0.000 0.000) 3.101 10.423 ( 4.002 0.000 0.000) 4.002 10.668 ( 11.203 0.000 0.000) 11.203 10.762 ( 4.677 0.000 0.000) 4.677 11.007 ( -3.784 0.000 0.000) 3.784 11.089 ( -3.509 0.000 0.000) 3.509 11.090 ( -1.500 0.000 0.000) 1.500 11.236 ( 9.936 0.000 0.000) 9.936 11.326 ( -3.455 0.000 0.000) 3.455 11.350 ( -1.938 0.000 0.000) 1.938 11.447 ( -4.478 0.000 0.000) 4.478 11.521 ( 5.116 0.000 0.000) 5.116 11.569 ( 0.877 0.000 0.000) 0.877 11.931 ( 9.528 0.000 0.000) 9.528 12.117 ( -9.659 0.000 0.000) 9.659 12.413 ( 4.049 0.000 0.000) 4.049 12.496 ( -3.521 0.000 0.000) 3.521 12.515 ( 5.868 0.000 0.000) 5.868 12.548 ( 3.097 0.000 0.000) 3.097 12.642 ( -2.343 0.000 0.000) 2.343 12.825 ( 1.816 0.000 0.000) 1.816 13.383 ( 13.154 0.000 0.000) 13.154 13.454 ( 6.284 0.000 0.000) 6.284 13.893 ( 22.408 0.000 0.000) 22.408 14.073 ( 24.503 0.000 0.000) 24.503 14.394 ( 0.919 0.000 0.000) 0.919 14.476 ( 0.312 0.000 0.000) 0.312 14.507 ( -1.443 0.000 0.000) 1.443 14.613 ( -0.884 0.000 0.000) 0.884 15.357 ( 29.407 0.000 0.000) 29.407 15.735 ( -10.583 0.000 0.000) 10.583 16.007 ( -4.227 0.000 0.000) 4.227 16.078 ( -3.363 0.000 0.000) 3.363 16.482 ( -31.860 0.000 0.000) 31.860 16.618 ( -9.193 0.000 0.000) 9.193 17.004 ( -17.202 0.000 0.000) 17.202 17.127 ( -16.797 0.000 0.000) 16.797 17.695 ( -8.751 0.000 0.000) 8.751 17.842 ( -8.739 0.000 0.000) 8.739 17.933 ( -7.538 0.000 0.000) 7.538 18.214 ( -13.100 0.000 0.000) 13.100 ======================= Grid point 3 (4/50) ======================= q-point: ( 0.33 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 50 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.245 ( 11.846 0.000 0.000) 11.846 1.574 ( 24.169 0.000 0.000) 24.169 1.601 ( -3.915 0.000 0.000) 3.915 2.069 ( 21.649 0.000 0.000) 21.649 2.114 ( 14.018 0.000 0.000) 14.018 2.127 ( 7.653 0.000 0.000) 7.653 2.136 ( 19.675 0.000 0.000) 19.675 2.256 ( 13.482 0.000 0.000) 13.482 2.562 ( 33.258 0.000 0.000) 33.258 2.881 ( -2.376 0.000 0.000) 2.376 3.034 ( -4.117 0.000 0.000) 4.117 3.126 ( -2.672 0.000 0.000) 2.672 3.209 ( 1.658 0.000 0.000) 1.658 3.221 ( -5.965 0.000 0.000) 5.965 3.371 ( -4.950 0.000 0.000) 4.950 3.372 ( 7.335 0.000 0.000) 7.335 3.409 ( 19.716 0.000 0.000) 19.716 3.517 ( -19.150 0.000 0.000) 19.150 3.756 ( -2.406 0.000 0.000) 2.406 3.901 ( -10.390 0.000 0.000) 10.390 3.920 ( -1.657 0.000 0.000) 1.657 3.925 ( 10.217 0.000 0.000) 10.217 3.948 ( -3.723 0.000 0.000) 3.723 3.972 ( -2.127 0.000 0.000) 2.127 4.027 ( 18.382 0.000 0.000) 18.382 4.101 ( 1.484 0.000 0.000) 1.484 4.255 ( 4.265 0.000 0.000) 4.265 4.432 ( 22.736 0.000 0.000) 22.736 4.644 ( 14.977 0.000 0.000) 14.977 4.659 ( -4.028 0.000 0.000) 4.028 4.744 ( -0.510 0.000 0.000) 0.510 4.799 ( 9.950 0.000 0.000) 9.950 4.964 ( 16.651 0.000 0.000) 16.651 4.986 ( -9.410 0.000 0.000) 9.410 5.181 ( 10.721 0.000 0.000) 10.721 5.206 ( 2.346 0.000 0.000) 2.346 5.302 ( 5.757 0.000 0.000) 5.757 5.626 ( -13.611 0.000 0.000) 13.611 5.629 ( -0.520 0.000 0.000) 0.520 5.657 ( -3.176 0.000 0.000) 3.176 5.660 ( -1.677 0.000 0.000) 1.677 5.724 ( -5.453 0.000 0.000) 5.453 5.806 ( -1.430 0.000 0.000) 1.430 5.920 ( -4.198 0.000 0.000) 4.198 5.931 ( -1.911 0.000 0.000) 1.911 5.943 ( -7.814 0.000 0.000) 7.814 5.958 ( 2.025 0.000 0.000) 2.025 6.028 ( -6.262 0.000 0.000) 6.262 6.151 ( -3.426 0.000 0.000) 3.426 6.445 ( -2.665 0.000 0.000) 2.665 6.648 ( -9.679 0.000 0.000) 9.679 6.707 ( 5.178 0.000 0.000) 5.178 6.724 ( -10.556 0.000 0.000) 10.556 6.822 ( 3.934 0.000 0.000) 3.934 7.049 ( 4.183 0.000 0.000) 4.183 7.082 ( 2.032 0.000 0.000) 2.032 7.086 ( -5.697 0.000 0.000) 5.697 7.165 ( -4.769 0.000 0.000) 4.769 7.278 ( -4.471 0.000 0.000) 4.471 7.344 ( -5.931 0.000 0.000) 5.931 7.800 ( -0.139 0.000 0.000) 0.139 7.862 ( 2.423 0.000 0.000) 2.423 8.076 ( 4.509 0.000 0.000) 4.509 8.092 ( 2.335 0.000 0.000) 2.335 8.197 ( 12.399 0.000 0.000) 12.399 8.414 ( 7.539 0.000 0.000) 7.539 8.622 ( 7.509 0.000 0.000) 7.509 8.733 ( -2.176 0.000 0.000) 2.176 8.784 ( -0.198 0.000 0.000) 0.198 9.198 ( -8.558 0.000 0.000) 8.558 9.249 ( -13.025 0.000 0.000) 13.025 9.300 ( -9.210 0.000 0.000) 9.210 9.433 ( 6.963 0.000 0.000) 6.963 9.594 ( 2.325 0.000 0.000) 2.325 9.695 ( 0.119 0.000 0.000) 0.119 9.698 ( -1.799 0.000 0.000) 1.799 9.770 ( -4.208 0.000 0.000) 4.208 9.873 ( -2.327 0.000 0.000) 2.327 10.016 ( 6.283 0.000 0.000) 6.283 10.175 ( 3.076 0.000 0.000) 3.076 10.528 ( 6.229 0.000 0.000) 6.229 10.829 ( 3.158 0.000 0.000) 3.158 10.879 ( 8.924 0.000 0.000) 8.924 10.916 ( -5.303 0.000 0.000) 5.303 11.027 ( -2.080 0.000 0.000) 2.080 11.036 ( -3.701 0.000 0.000) 3.701 11.257 ( -3.593 0.000 0.000) 3.593 11.271 ( -2.555 0.000 0.000) 2.555 11.324 ( -3.895 0.000 0.000) 3.895 11.357 ( -4.199 0.000 0.000) 4.199 11.593 ( 1.576 0.000 0.000) 1.576 11.613 ( 3.437 0.000 0.000) 3.437 12.037 ( 2.886 0.000 0.000) 2.886 12.139 ( 9.616 0.000 0.000) 9.616 12.409 ( -5.132 0.000 0.000) 5.132 12.503 ( 4.689 0.000 0.000) 4.689 12.577 ( -4.192 0.000 0.000) 4.192 12.607 ( 2.373 0.000 0.000) 2.373 12.643 ( 6.573 0.000 0.000) 6.573 12.852 ( 0.625 0.000 0.000) 0.625 13.656 ( 14.072 0.000 0.000) 14.072 13.678 ( 14.589 0.000 0.000) 14.589 14.370 ( 22.389 0.000 0.000) 22.389 14.371 ( -3.874 0.000 0.000) 3.874 14.431 ( -5.403 0.000 0.000) 5.403 14.498 ( 0.898 0.000 0.000) 0.898 14.540 ( 19.283 0.000 0.000) 19.283 14.615 ( 1.429 0.000 0.000) 1.429 15.544 ( -6.361 0.000 0.000) 6.361 15.807 ( 15.569 0.000 0.000) 15.569 15.939 ( -18.558 0.000 0.000) 18.558 15.955 ( -0.336 0.000 0.000) 0.336 16.038 ( -0.055 0.000 0.000) 0.055 16.421 ( -9.996 0.000 0.000) 9.996 16.589 ( -23.856 0.000 0.000) 23.856 16.732 ( -22.029 0.000 0.000) 22.029 17.515 ( -8.172 0.000 0.000) 8.172 17.648 ( -9.994 0.000 0.000) 9.994 17.786 ( -6.425 0.000 0.000) 6.425 17.949 ( -12.348 0.000 0.000) 12.348 ======================= Grid point 4 (5/50) ======================= q-point: ( 0.44 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 50 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.419 ( 6.277 0.000 0.000) 6.277 1.521 ( -4.267 0.000 0.000) 4.267 1.999 ( 16.787 0.000 0.000) 16.787 2.191 ( -2.170 0.000 0.000) 2.170 2.435 ( 14.719 0.000 0.000) 14.719 2.450 ( 13.792 0.000 0.000) 13.792 2.548 ( 14.537 0.000 0.000) 14.537 2.554 ( 21.609 0.000 0.000) 21.609 2.845 ( -14.051 0.000 0.000) 14.051 2.865 ( 2.136 0.000 0.000) 2.136 2.941 ( -9.692 0.000 0.000) 9.692 3.001 ( -6.785 0.000 0.000) 6.785 3.014 ( -12.261 0.000 0.000) 12.261 3.030 ( -9.745 0.000 0.000) 9.745 3.283 ( 12.433 0.000 0.000) 12.433 3.464 ( 4.775 0.000 0.000) 4.775 3.484 ( 2.801 0.000 0.000) 2.801 3.636 ( -16.076 0.000 0.000) 16.076 3.713 ( 7.664 0.000 0.000) 7.664 3.756 ( 0.710 0.000 0.000) 0.710 3.900 ( 0.194 0.000 0.000) 0.194 3.909 ( -0.278 0.000 0.000) 0.278 3.918 ( -1.423 0.000 0.000) 1.423 3.942 ( -3.330 0.000 0.000) 3.330 4.236 ( 6.762 0.000 0.000) 6.762 4.303 ( -0.102 0.000 0.000) 0.102 4.375 ( 15.549 0.000 0.000) 15.549 4.652 ( -10.264 0.000 0.000) 10.264 4.659 ( 4.298 0.000 0.000) 4.298 4.786 ( -8.216 0.000 0.000) 8.216 4.853 ( 20.242 0.000 0.000) 20.242 5.018 ( 11.356 0.000 0.000) 11.356 5.061 ( 23.260 0.000 0.000) 23.260 5.222 ( -6.187 0.000 0.000) 6.187 5.238 ( 9.168 0.000 0.000) 9.168 5.249 ( -17.353 0.000 0.000) 17.353 5.287 ( 3.595 0.000 0.000) 3.595 5.433 ( -5.731 0.000 0.000) 5.731 5.562 ( -3.128 0.000 0.000) 3.128 5.595 ( -6.029 0.000 0.000) 6.029 5.640 ( -5.988 0.000 0.000) 5.988 5.705 ( 5.741 0.000 0.000) 5.741 5.724 ( 4.833 0.000 0.000) 4.833 5.752 ( -6.807 0.000 0.000) 6.807 5.847 ( -3.780 0.000 0.000) 3.780 5.849 ( -8.033 0.000 0.000) 8.033 5.992 ( 4.895 0.000 0.000) 4.895 6.091 ( -3.779 0.000 0.000) 3.779 6.126 ( 11.434 0.000 0.000) 11.434 6.398 ( -14.247 0.000 0.000) 14.247 6.427 ( 1.365 0.000 0.000) 1.365 6.523 ( -8.285 0.000 0.000) 8.285 6.829 ( 6.686 0.000 0.000) 6.686 6.928 ( 6.182 0.000 0.000) 6.182 6.963 ( -6.495 0.000 0.000) 6.495 7.055 ( -6.128 0.000 0.000) 6.128 7.129 ( 2.741 0.000 0.000) 2.741 7.134 ( 4.423 0.000 0.000) 4.423 7.194 ( -3.765 0.000 0.000) 3.765 7.231 ( -5.278 0.000 0.000) 5.278 7.817 ( 1.751 0.000 0.000) 1.751 7.858 ( -1.852 0.000 0.000) 1.852 8.136 ( 1.868 0.000 0.000) 1.868 8.148 ( 1.393 0.000 0.000) 1.393 8.439 ( 10.507 0.000 0.000) 10.507 8.532 ( 2.429 0.000 0.000) 2.429 8.733 ( 2.450 0.000 0.000) 2.450 8.763 ( -1.704 0.000 0.000) 1.704 8.778 ( 6.937 0.000 0.000) 6.937 8.985 ( -12.636 0.000 0.000) 12.636 9.054 ( -2.787 0.000 0.000) 2.787 9.124 ( -7.638 0.000 0.000) 7.638 9.560 ( 5.460 0.000 0.000) 5.460 9.636 ( 2.306 0.000 0.000) 2.306 9.648 ( -3.346 0.000 0.000) 3.346 9.693 ( -3.384 0.000 0.000) 3.384 9.741 ( 3.563 0.000 0.000) 3.563 9.814 ( -3.435 0.000 0.000) 3.435 10.140 ( 5.353 0.000 0.000) 5.353 10.205 ( -0.731 0.000 0.000) 0.731 10.662 ( 6.864 0.000 0.000) 6.864 10.797 ( -6.425 0.000 0.000) 6.425 10.886 ( 2.989 0.000 0.000) 2.989 10.956 ( -3.942 0.000 0.000) 3.942 11.034 ( 3.280 0.000 0.000) 3.280 11.043 ( 7.326 0.000 0.000) 7.326 11.154 ( -7.855 0.000 0.000) 7.855 11.170 ( -5.283 0.000 0.000) 5.283 11.269 ( -0.412 0.000 0.000) 0.412 11.289 ( -2.319 0.000 0.000) 2.319 11.629 ( 1.761 0.000 0.000) 1.761 11.649 ( 0.161 0.000 0.000) 0.161 12.151 ( 7.083 0.000 0.000) 7.083 12.291 ( -6.565 0.000 0.000) 6.565 12.323 ( 8.426 0.000 0.000) 8.426 12.471 ( -6.316 0.000 0.000) 6.316 12.589 ( 3.477 0.000 0.000) 3.477 12.629 ( -0.386 0.000 0.000) 0.386 12.764 ( 5.112 0.000 0.000) 5.112 12.839 ( -2.186 0.000 0.000) 2.186 13.958 ( 15.339 0.000 0.000) 15.339 13.976 ( 14.545 0.000 0.000) 14.545 14.226 ( -10.544 0.000 0.000) 10.544 14.251 ( -12.191 0.000 0.000) 12.191 14.555 ( 4.687 0.000 0.000) 4.687 14.628 ( 1.155 0.000 0.000) 1.155 14.677 ( 4.560 0.000 0.000) 4.560 14.745 ( 0.777 0.000 0.000) 0.777 15.610 ( 15.586 0.000 0.000) 15.586 15.878 ( 12.284 0.000 0.000) 12.284 15.990 ( 2.699 0.000 0.000) 2.699 15.995 ( 3.687 0.000 0.000) 3.687 16.072 ( -26.539 0.000 0.000) 26.539 16.086 ( 4.846 0.000 0.000) 4.846 16.229 ( -8.869 0.000 0.000) 8.869 16.269 ( -23.121 0.000 0.000) 23.121 17.411 ( -1.308 0.000 0.000) 1.308 17.471 ( -6.746 0.000 0.000) 6.746 17.703 ( -1.234 0.000 0.000) 1.234 17.754 ( -6.412 0.000 0.000) 6.412 ======================= Grid point 9 (6/50) ======================= q-point: ( 0.00 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 50 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.371 ( 0.000 19.693 0.000) 19.693 0.496 ( 0.000 24.135 0.000) 24.135 0.774 ( 0.000 -20.331 0.000) 20.331 0.823 ( 0.000 16.369 0.000) 16.369 1.072 ( 0.000 8.815 0.000) 8.815 1.675 ( 0.000 13.475 0.000) 13.475 1.773 ( 0.000 -36.129 0.000) 36.129 1.855 ( 0.000 -4.271 0.000) 4.271 2.124 ( 0.000 13.491 0.000) 13.491 2.376 ( 0.000 -10.723 0.000) 10.723 2.833 ( 0.000 -4.027 0.000) 4.027 2.845 ( 0.000 -4.802 0.000) 4.802 2.935 ( 0.000 9.528 0.000) 9.528 3.047 ( 0.000 -2.523 0.000) 2.523 3.082 ( 0.000 3.606 0.000) 3.606 3.098 ( 0.000 2.063 0.000) 2.063 3.298 ( 0.000 1.541 0.000) 1.541 3.345 ( 0.000 -3.070 0.000) 3.070 3.829 ( 0.000 2.382 0.000) 2.382 3.867 ( 0.000 -0.334 0.000) 0.334 3.984 ( 0.000 4.141 0.000) 4.141 4.003 ( 0.000 4.630 0.000) 4.630 4.081 ( 0.000 -4.278 0.000) 4.278 4.091 ( 0.000 -2.954 0.000) 2.954 4.127 ( 0.000 0.899 0.000) 0.899 4.137 ( 0.000 2.292 0.000) 2.292 4.167 ( 0.000 1.785 0.000) 1.785 4.198 ( 0.000 3.050 0.000) 3.050 4.234 ( 0.000 -4.770 0.000) 4.770 4.337 ( 0.000 12.816 0.000) 12.816 4.361 ( 0.000 -9.561 0.000) 9.561 4.599 ( 0.000 -11.363 0.000) 11.363 4.788 ( 0.000 5.760 0.000) 5.760 4.919 ( 0.000 -7.493 0.000) 7.493 5.255 ( 0.000 14.810 0.000) 14.810 5.273 ( 0.000 7.068 0.000) 7.068 5.382 ( 0.000 -3.726 0.000) 3.726 5.562 ( 0.000 -13.363 0.000) 13.363 5.693 ( 0.000 5.287 0.000) 5.287 5.734 ( 0.000 1.507 0.000) 1.507 5.785 ( 0.000 1.524 0.000) 1.524 5.834 ( 0.000 -3.773 0.000) 3.773 5.907 ( 0.000 -2.999 0.000) 2.999 5.915 ( 0.000 -3.555 0.000) 3.555 6.066 ( 0.000 6.489 0.000) 6.489 6.169 ( 0.000 2.891 0.000) 2.891 6.213 ( 0.000 -7.208 0.000) 7.208 6.260 ( 0.000 -6.528 0.000) 6.528 6.302 ( 0.000 6.309 0.000) 6.309 6.389 ( 0.000 -2.046 0.000) 2.046 6.801 ( 0.000 -0.045 0.000) 0.045 6.804 ( 0.000 -0.265 0.000) 0.265 6.853 ( 0.000 12.315 0.000) 12.315 6.856 ( 0.000 3.501 0.000) 3.501 6.939 ( 0.000 -4.299 0.000) 4.299 7.057 ( 0.000 -5.582 0.000) 5.582 7.239 ( 0.000 -1.617 0.000) 1.617 7.284 ( 0.000 -3.586 0.000) 3.586 7.522 ( 0.000 3.888 0.000) 3.888 7.579 ( 0.000 -1.895 0.000) 1.895 7.585 ( 0.000 1.755 0.000) 1.755 7.643 ( 0.000 -4.339 0.000) 4.339 7.909 ( 0.000 1.269 0.000) 1.269 7.942 ( 0.000 -1.861 0.000) 1.861 8.177 ( 0.000 15.812 0.000) 15.812 8.181 ( 0.000 4.139 0.000) 4.139 8.257 ( 0.000 -3.014 0.000) 3.014 8.503 ( 0.000 -16.000 0.000) 16.000 8.951 ( 0.000 5.828 0.000) 5.828 9.026 ( 0.000 -2.176 0.000) 2.176 9.355 ( 0.000 2.148 0.000) 2.148 9.433 ( 0.000 -5.402 0.000) 5.402 9.757 ( 0.000 3.845 0.000) 3.845 9.785 ( 0.000 1.599 0.000) 1.599 9.792 ( 0.000 5.039 0.000) 5.039 9.901 ( 0.000 -5.006 0.000) 5.006 9.919 ( 0.000 2.079 0.000) 2.079 10.000 ( 0.000 -4.599 0.000) 4.599 10.134 ( 0.000 0.280 0.000) 0.280 10.140 ( 0.000 -0.295 0.000) 0.295 10.310 ( 0.000 0.006 0.000) 0.006 10.312 ( 0.000 -0.216 0.000) 0.216 10.601 ( 0.000 3.205 0.000) 3.205 10.664 ( 0.000 -2.630 0.000) 2.630 11.072 ( 0.000 -0.825 0.000) 0.825 11.076 ( 0.000 -0.785 0.000) 0.785 11.270 ( 0.000 6.699 0.000) 6.699 11.383 ( 0.000 -3.914 0.000) 3.914 11.409 ( 0.000 0.650 0.000) 0.650 11.423 ( 0.000 -0.605 0.000) 0.605 11.546 ( 0.000 -0.114 0.000) 0.114 11.548 ( 0.000 -0.357 0.000) 0.357 12.304 ( 0.000 1.270 0.000) 1.270 12.340 ( 0.000 -2.309 0.000) 2.309 12.451 ( 0.000 2.827 0.000) 2.827 12.461 ( 0.000 0.264 0.000) 0.264 12.499 ( 0.000 -1.821 0.000) 1.821 12.510 ( 0.000 -4.097 0.000) 4.097 12.739 ( 0.000 3.875 0.000) 3.875 12.785 ( 0.000 -0.368 0.000) 0.368 13.420 ( 0.000 1.377 0.000) 1.377 13.451 ( 0.000 -1.465 0.000) 1.465 13.817 ( 0.000 1.284 0.000) 1.284 13.846 ( 0.000 -1.446 0.000) 1.446 13.925 ( 0.000 0.763 0.000) 0.763 13.938 ( 0.000 -0.481 0.000) 0.481 14.360 ( 0.000 1.631 0.000) 1.631 14.404 ( 0.000 -2.400 0.000) 2.400 14.583 ( 0.000 2.382 0.000) 2.382 14.628 ( 0.000 -1.801 0.000) 1.801 16.144 ( 0.000 1.066 0.000) 1.066 16.167 ( 0.000 -1.040 0.000) 1.040 17.342 ( 0.000 0.479 0.000) 0.479 17.353 ( 0.000 -0.495 0.000) 0.495 17.388 ( 0.000 2.638 0.000) 2.638 17.448 ( 0.000 -2.919 0.000) 2.919 17.877 ( 0.000 0.411 0.000) 0.411 17.885 ( 0.000 -0.395 0.000) 0.395 18.055 ( 0.000 2.002 0.000) 2.002 18.095 ( 0.000 -1.693 0.000) 1.693 ======================= Grid point 10 (7/50) ======================= q-point: ( 0.11 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 70 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.653 ( 21.945 11.784 0.000) 24.909 0.777 ( 18.161 20.898 0.000) 27.687 0.961 ( 16.539 -17.715 0.000) 24.236 1.134 ( 25.010 -2.740 0.000) 25.160 1.332 ( 24.187 12.480 0.000) 27.217 1.737 ( 6.004 11.045 0.000) 12.571 1.849 ( -0.145 -0.005 0.000) 0.145 1.889 ( 13.419 -24.323 0.000) 27.779 2.223 ( 7.019 7.811 0.000) 10.502 2.352 ( -8.913 4.019 0.000) 9.777 2.816 ( 0.037 -3.743 0.000) 3.743 2.861 ( 7.007 9.379 0.000) 11.708 2.871 ( 1.187 -8.099 0.000) 8.185 2.979 ( 3.837 2.883 0.000) 4.800 3.137 ( 5.452 5.163 0.000) 7.508 3.172 ( 5.855 1.775 0.000) 6.118 3.362 ( 5.536 -1.963 0.000) 5.874 3.401 ( 8.290 -3.875 0.000) 9.151 3.813 ( -1.486 4.812 0.000) 5.036 3.842 ( 0.305 2.211 0.000) 2.232 3.996 ( -0.776 4.057 0.000) 4.131 4.005 ( 0.133 1.723 0.000) 1.728 4.060 ( -3.816 -0.155 0.000) 3.819 4.085 ( -3.162 -0.462 0.000) 3.196 4.097 ( -2.468 -5.482 0.000) 6.012 4.124 ( -2.736 -2.982 0.000) 4.047 4.139 ( -0.561 0.829 0.000) 1.001 4.197 ( 1.214 8.000 0.000) 8.092 4.201 ( 0.239 -4.760 0.000) 4.766 4.389 ( 2.819 -10.008 0.000) 10.397 4.443 ( 9.270 11.136 0.000) 14.490 4.661 ( 6.426 -9.546 0.000) 11.507 4.800 ( 1.403 6.798 0.000) 6.941 4.944 ( 2.273 -7.651 0.000) 7.981 5.158 ( -6.960 13.531 0.000) 15.216 5.253 ( -1.550 5.544 0.000) 5.756 5.343 ( -3.633 -3.212 0.000) 4.849 5.438 ( -3.952 -13.888 0.000) 14.440 5.689 ( -0.646 2.538 0.000) 2.619 5.744 ( -0.336 -0.874 0.000) 0.937 5.845 ( -3.125 2.328 0.000) 3.897 5.872 ( 4.478 4.629 0.000) 6.441 5.915 ( -1.132 -2.461 0.000) 2.709 5.983 ( 3.963 -6.250 0.000) 7.401 6.038 ( -2.494 6.007 0.000) 6.504 6.150 ( -2.012 3.119 0.000) 3.712 6.165 ( -4.096 -3.181 0.000) 5.186 6.248 ( -1.640 -6.462 0.000) 6.667 6.256 ( -3.558 6.120 0.000) 7.079 6.403 ( -0.237 -7.346 0.000) 7.350 6.781 ( -3.453 3.100 0.000) 4.640 6.797 ( -1.017 0.218 0.000) 1.040 6.850 ( -0.702 9.168 0.000) 9.195 6.892 ( 4.069 2.745 0.000) 4.908 6.944 ( 3.733 -1.504 0.000) 4.025 7.012 ( -4.400 -5.101 0.000) 6.737 7.222 ( -1.435 0.038 0.000) 1.435 7.281 ( -0.616 -3.629 0.000) 3.681 7.486 ( -3.462 3.695 0.000) 5.064 7.542 ( -3.585 -1.856 0.000) 4.037 7.627 ( 4.264 1.013 0.000) 4.383 7.682 ( 4.557 -5.073 0.000) 6.819 7.890 ( -1.463 2.495 0.000) 2.892 7.953 ( 0.694 -3.431 0.000) 3.500 8.180 ( 1.367 15.490 0.000) 15.550 8.225 ( 4.300 4.637 0.000) 6.324 8.307 ( 4.785 -3.126 0.000) 5.716 8.532 ( 0.153 -18.823 0.000) 18.824 8.973 ( 0.722 4.380 0.000) 4.439 9.071 ( 3.982 -4.995 0.000) 6.388 9.356 ( -0.164 1.824 0.000) 1.832 9.430 ( -0.444 -5.465 0.000) 5.483 9.709 ( -6.360 6.131 0.000) 8.834 9.715 ( -4.083 4.222 0.000) 5.874 9.763 ( -2.505 -0.089 0.000) 2.506 9.837 ( -4.062 -5.819 0.000) 7.096 9.891 ( -2.142 4.281 0.000) 4.787 10.003 ( 0.568 -5.459 0.000) 5.489 10.004 ( -5.168 1.623 0.000) 5.417 10.015 ( -5.518 0.605 0.000) 5.551 10.411 ( 7.141 1.409 0.000) 7.278 10.432 ( 9.776 -0.707 0.000) 9.801 10.836 ( 8.095 8.484 0.000) 11.726 10.909 ( 18.269 -0.742 0.000) 18.285 11.055 ( -1.749 -0.593 0.000) 1.847 11.061 ( -1.438 -1.210 0.000) 1.879 11.258 ( -1.211 6.803 0.000) 6.910 11.364 ( -1.943 -3.213 0.000) 3.755 11.408 ( -1.155 0.631 0.000) 1.317 11.422 ( 1.529 -0.779 0.000) 1.716 11.523 ( -2.283 0.301 0.000) 2.302 11.541 ( -0.326 -1.202 0.000) 1.246 12.001 ( -14.141 17.046 0.000) 22.148 12.251 ( -11.739 -8.048 0.000) 14.233 12.395 ( -0.355 1.365 0.000) 1.411 12.417 ( 2.230 -0.776 0.000) 2.361 12.469 ( 0.597 -0.215 0.000) 0.635 12.509 ( -0.077 -3.451 0.000) 3.452 12.734 ( -0.513 4.322 0.000) 4.352 12.791 ( 0.522 -1.002 0.000) 1.130 13.240 ( 1.417 7.709 0.000) 7.838 13.393 ( -6.154 -6.591 0.000) 9.017 13.572 ( 11.674 2.551 0.000) 11.950 13.620 ( 14.687 -2.103 0.000) 14.837 14.378 ( 1.605 1.607 0.000) 2.272 14.421 ( 1.510 -2.387 0.000) 2.824 14.569 ( -1.252 2.472 0.000) 2.771 14.616 ( -1.121 -1.878 0.000) 2.187 14.806 ( 43.463 16.389 0.000) 46.450 15.328 ( 39.286 -36.562 0.000) 53.667 16.107 ( -3.412 1.255 0.000) 3.635 16.134 ( -3.055 -1.209 0.000) 3.285 16.945 ( -22.610 8.630 0.000) 24.201 17.056 ( -25.089 -3.199 0.000) 25.293 17.297 ( -8.968 2.623 0.000) 9.344 17.357 ( -9.000 -2.884 0.000) 9.451 17.880 ( -2.394 4.850 0.000) 5.408 18.005 ( -4.939 1.997 0.000) 5.328 18.045 ( -4.887 -1.710 0.000) 5.177 18.084 ( 4.383 -17.823 0.000) 18.354 ======================= Grid point 11 (8/50) ======================= q-point: ( 0.22 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 70 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.126 ( 24.055 7.112 0.000) 25.084 1.151 ( 18.772 18.453 0.000) 26.323 1.348 ( 20.020 -14.414 0.000) 24.669 1.543 ( 16.971 -20.125 0.000) 26.325 1.849 ( 3.560 9.177 0.000) 9.844 1.931 ( 10.551 3.970 0.000) 11.273 1.974 ( 33.190 17.082 0.000) 37.328 2.160 ( -1.309 13.870 0.000) 13.932 2.232 ( 11.550 4.386 0.000) 12.355 2.457 ( 18.421 -23.861 0.000) 30.145 2.830 ( 0.828 -3.250 0.000) 3.354 2.908 ( 2.691 -9.349 0.000) 9.728 3.148 ( 11.616 0.005 0.000) 11.616 3.175 ( 16.693 -0.759 0.000) 16.710 3.253 ( 4.866 4.254 0.000) 6.464 3.289 ( 4.606 1.256 0.000) 4.774 3.482 ( 3.827 1.776 0.000) 4.219 3.573 ( 3.718 -3.381 0.000) 5.025 3.813 ( -5.733 1.272 0.000) 5.873 3.868 ( 6.358 2.751 0.000) 6.928 3.926 ( -8.074 3.885 0.000) 8.960 3.955 ( -0.921 1.643 0.000) 1.884 3.977 ( -1.351 2.594 0.000) 2.925 4.009 ( -5.802 -2.911 0.000) 6.491 4.034 ( -4.629 -3.217 0.000) 5.637 4.068 ( 6.711 -3.732 0.000) 7.679 4.158 ( 3.142 5.485 0.000) 6.321 4.260 ( 4.647 9.376 0.000) 10.464 4.296 ( 7.496 -8.047 0.000) 10.998 4.472 ( 5.317 -10.754 0.000) 11.997 4.685 ( 13.866 7.444 0.000) 15.738 4.825 ( 6.870 -5.466 0.000) 8.779 4.846 ( 2.876 7.610 0.000) 8.135 4.993 ( 1.898 -6.904 0.000) 7.160 5.058 ( 0.091 15.329 0.000) 15.329 5.234 ( 0.101 1.724 0.000) 1.727 5.256 ( -3.988 -0.443 0.000) 4.012 5.403 ( 0.063 -17.976 0.000) 17.976 5.648 ( -3.583 -0.210 0.000) 3.590 5.681 ( -4.497 -2.968 0.000) 5.388 5.841 ( 1.045 4.282 0.000) 4.408 5.867 ( -3.952 1.292 0.000) 4.157 5.898 ( -2.777 4.748 0.000) 5.500 5.961 ( -2.725 1.466 0.000) 3.095 6.005 ( -2.484 -1.048 0.000) 2.696 6.072 ( -4.664 -1.412 0.000) 4.873 6.087 ( -4.166 3.038 0.000) 5.156 6.180 ( -3.654 8.049 0.000) 8.840 6.185 ( -4.407 -5.554 0.000) 7.090 6.373 ( -2.214 -9.417 0.000) 9.673 6.736 ( -0.289 4.723 0.000) 4.731 6.781 ( 0.117 -0.418 0.000) 0.434 6.801 ( -4.730 3.714 0.000) 6.014 6.886 ( -8.110 -3.680 0.000) 8.906 6.985 ( 4.419 2.203 0.000) 4.938 7.024 ( 3.362 -1.312 0.000) 3.609 7.183 ( -2.550 2.065 0.000) 3.281 7.249 ( -2.709 -2.692 0.000) 3.819 7.395 ( -5.227 3.046 0.000) 6.050 7.447 ( -5.574 -1.742 0.000) 5.840 7.750 ( 7.249 0.675 0.000) 7.280 7.812 ( 7.625 -6.136 0.000) 9.788 7.861 ( -1.241 4.004 0.000) 4.192 7.965 ( 0.631 -5.884 0.000) 5.918 8.226 ( 3.218 13.077 0.000) 13.468 8.347 ( 7.657 5.722 0.000) 9.559 8.438 ( 7.922 -2.986 0.000) 8.466 8.517 ( -0.951 -15.831 0.000) 15.859 8.982 ( 0.436 8.217 0.000) 8.229 9.156 ( 3.915 -9.286 0.000) 10.077 9.326 ( -3.609 1.210 0.000) 3.807 9.392 ( -4.540 -5.259 0.000) 6.947 9.585 ( -5.802 8.487 0.000) 10.281 9.617 ( -4.348 3.886 0.000) 5.831 9.681 ( -4.939 -2.606 0.000) 5.584 9.759 ( -3.900 -8.204 0.000) 9.084 9.866 ( -0.062 8.322 0.000) 8.322 9.957 ( 0.443 3.143 0.000) 3.174 9.977 ( 0.824 1.174 0.000) 1.435 10.031 ( 2.209 -7.153 0.000) 7.486 10.547 ( 5.740 7.319 0.000) 9.301 10.639 ( 9.781 -2.812 0.000) 10.177 10.896 ( 0.047 13.948 0.000) 13.948 11.001 ( -3.586 -0.246 0.000) 3.594 11.014 ( -3.225 -1.923 0.000) 3.755 11.164 ( 5.451 -9.334 0.000) 10.809 11.217 ( -3.047 6.177 0.000) 6.888 11.307 ( -3.606 -2.604 0.000) 4.448 11.380 ( -0.912 4.569 0.000) 4.659 11.469 ( -2.629 2.807 0.000) 3.846 11.485 ( 3.728 -4.164 0.000) 5.589 11.539 ( 0.252 -3.088 0.000) 3.099 11.950 ( 5.157 2.275 0.000) 5.637 12.035 ( -5.337 -5.956 0.000) 7.997 12.454 ( 4.444 2.894 0.000) 5.303 12.468 ( -1.199 -0.082 0.000) 1.202 12.500 ( 5.457 -1.532 0.000) 5.668 12.510 ( 0.036 -3.331 0.000) 3.331 12.722 ( -0.481 5.554 0.000) 5.575 12.805 ( 0.867 -2.416 0.000) 2.567 13.398 ( 11.622 1.452 0.000) 11.713 13.433 ( 8.215 -1.822 0.000) 8.415 13.934 ( 22.739 3.802 0.000) 23.054 14.023 ( 23.831 -4.396 0.000) 24.233 14.408 ( 0.822 1.435 0.000) 1.654 14.446 ( 0.359 -2.138 0.000) 2.168 14.541 ( -1.220 2.571 0.000) 2.846 14.591 ( -1.090 -2.073 0.000) 2.342 15.467 ( 21.349 9.625 0.000) 23.419 15.656 ( 0.763 -7.715 0.000) 7.752 16.026 ( -3.987 1.672 0.000) 4.323 16.061 ( -3.556 -1.575 0.000) 3.889 16.509 ( -25.893 2.707 0.000) 26.034 16.578 ( -14.065 -3.543 0.000) 14.504 17.033 ( -17.108 2.675 0.000) 17.316 17.094 ( -16.906 -2.921 0.000) 17.157 17.772 ( -7.828 8.145 0.000) 11.297 17.867 ( -8.433 2.229 0.000) 8.723 17.912 ( -7.833 -1.961 0.000) 8.074 18.018 ( -8.477 -15.219 0.000) 17.420 ======================= Grid point 12 (9/50) ======================= q-point: ( 0.33 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 70 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.480 ( 12.556 19.237 0.000) 22.972 1.573 ( 17.456 3.372 0.000) 17.778 1.658 ( 10.538 -1.877 0.000) 10.703 1.861 ( 13.812 -17.899 0.000) 22.608 2.037 ( 17.114 5.977 0.000) 18.128 2.189 ( 8.879 7.333 0.000) 11.515 2.191 ( 14.898 -3.220 0.000) 15.241 2.324 ( 5.142 -1.965 0.000) 5.505 2.685 ( 29.115 9.546 0.000) 30.640 2.839 ( -0.238 0.490 0.000) 0.544 2.903 ( 19.314 -13.336 0.000) 23.471 2.946 ( -0.714 -7.562 0.000) 7.595 3.272 ( -3.993 3.941 0.000) 5.610 3.315 ( -7.633 6.731 0.000) 10.176 3.342 ( 1.726 -2.803 0.000) 3.292 3.344 ( 0.149 2.082 0.000) 2.087 3.412 ( -5.426 -3.017 0.000) 6.208 3.481 ( -2.983 -7.180 0.000) 7.775 3.776 ( -6.306 2.694 0.000) 6.857 3.846 ( 10.118 0.865 0.000) 10.155 3.852 ( -9.004 -4.207 0.000) 9.938 3.923 ( 2.075 -4.756 0.000) 5.189 3.951 ( -2.373 1.940 0.000) 3.065 3.966 ( -0.815 0.474 0.000) 0.943 4.119 ( 9.917 3.107 0.000) 10.392 4.125 ( 1.580 1.724 0.000) 2.339 4.363 ( 4.888 10.027 0.000) 11.155 4.481 ( 23.667 3.663 0.000) 23.949 4.545 ( 18.282 -3.235 0.000) 18.566 4.585 ( 4.853 -10.898 0.000) 11.930 4.838 ( -1.475 8.377 0.000) 8.506 4.894 ( 1.742 4.840 0.000) 5.144 4.937 ( 9.063 -2.620 0.000) 9.434 4.969 ( -5.326 -2.265 0.000) 5.787 5.230 ( 2.794 2.561 0.000) 3.790 5.232 ( 12.170 6.380 0.000) 13.741 5.286 ( 4.535 -2.076 0.000) 4.987 5.449 ( 4.970 -13.820 0.000) 14.686 5.571 ( -5.978 -1.335 0.000) 6.126 5.589 ( -2.100 -2.842 0.000) 3.533 5.734 ( -9.082 4.767 0.000) 10.257 5.787 ( -7.058 4.064 0.000) 8.145 5.808 ( -6.803 -1.955 0.000) 7.079 5.875 ( -7.327 -4.140 0.000) 8.416 5.941 ( -1.640 2.182 0.000) 2.730 5.995 ( -3.162 -2.632 0.000) 4.114 6.000 ( -3.255 5.484 0.000) 6.377 6.107 ( -2.560 -4.320 0.000) 5.022 6.130 ( -0.741 11.046 0.000) 11.071 6.332 ( -1.475 -8.996 0.000) 9.116 6.649 ( -10.271 0.844 0.000) 10.305 6.690 ( -11.122 -2.769 0.000) 11.461 6.775 ( 3.984 4.070 0.000) 5.695 6.820 ( 3.887 -0.664 0.000) 3.943 7.063 ( 3.505 1.075 0.000) 3.666 7.079 ( 2.378 -0.419 0.000) 2.415 7.115 ( -4.341 3.053 0.000) 5.307 7.172 ( -4.904 -1.402 0.000) 5.101 7.290 ( -5.019 1.898 0.000) 5.366 7.330 ( -5.766 -1.503 0.000) 5.959 7.847 ( -0.027 4.835 0.000) 4.835 7.870 ( 3.527 1.614 0.000) 3.879 7.955 ( 5.713 -6.836 0.000) 8.909 7.981 ( 1.005 -7.972 0.000) 8.035 8.332 ( 7.907 8.951 0.000) 11.943 8.517 ( 8.687 6.853 0.000) 11.064 8.526 ( 2.799 -10.833 0.000) 11.189 8.608 ( 8.408 -2.064 0.000) 8.658 8.982 ( -0.843 10.641 0.000) 10.674 9.190 ( -1.635 -9.967 0.000) 10.100 9.192 ( -9.349 0.300 0.000) 9.354 9.225 ( -11.104 -2.325 0.000) 11.345 9.501 ( -1.595 8.129 0.000) 8.284 9.575 ( -0.498 -0.227 0.000) 0.547 9.605 ( -2.264 -2.812 0.000) 3.610 9.680 ( -3.659 -8.325 0.000) 9.094 9.886 ( 1.882 10.849 0.000) 11.011 9.982 ( 0.892 6.279 0.000) 6.342 10.034 ( 4.433 0.376 0.000) 4.449 10.087 ( 3.071 -8.336 0.000) 8.884 10.637 ( 3.617 9.744 0.000) 10.394 10.800 ( 5.699 -5.567 0.000) 7.967 10.906 ( 1.879 7.235 0.000) 7.475 10.914 ( -4.964 0.182 0.000) 4.967 10.941 ( -3.700 -2.963 0.000) 4.740 11.137 ( -4.582 4.841 0.000) 6.666 11.152 ( -4.214 -14.291 0.000) 14.899 11.223 ( -4.629 -3.537 0.000) 5.826 11.373 ( -0.081 8.296 0.000) 8.296 11.428 ( -1.565 6.495 0.000) 6.681 11.542 ( 1.976 -7.204 0.000) 7.470 11.551 ( 0.815 -4.590 0.000) 4.661 12.056 ( 5.899 2.205 0.000) 6.298 12.109 ( 8.896 -2.576 0.000) 9.262 12.419 ( -3.568 2.014 0.000) 4.098 12.492 ( -2.243 -4.646 0.000) 5.160 12.554 ( 5.203 3.922 0.000) 6.516 12.620 ( 6.161 -2.371 0.000) 6.601 12.718 ( -0.095 6.360 0.000) 6.361 12.819 ( 0.235 -3.480 0.000) 3.488 13.661 ( 14.248 0.489 0.000) 14.256 13.672 ( 14.507 -0.535 0.000) 14.517 14.382 ( -4.091 1.082 0.000) 4.232 14.410 ( -4.562 -1.536 0.000) 4.814 14.410 ( 21.773 3.722 0.000) 22.089 14.495 ( 20.418 -4.031 0.000) 20.812 14.531 ( 0.674 2.742 0.000) 2.824 14.587 ( 1.144 -2.509 0.000) 2.758 15.566 ( -5.064 2.450 0.000) 5.625 15.656 ( -0.290 -7.031 0.000) 7.037 15.977 ( -0.278 1.968 0.000) 1.988 16.019 ( -0.142 -1.839 0.000) 1.844 16.160 ( -6.797 12.963 0.000) 14.637 16.359 ( -8.740 -6.556 0.000) 10.925 16.622 ( -23.427 3.121 0.000) 23.634 16.693 ( -22.527 -3.434 0.000) 22.787 17.602 ( -7.948 8.653 0.000) 11.750 17.685 ( -9.045 3.335 0.000) 9.640 17.754 ( -7.269 -2.996 0.000) 7.862 17.819 ( -9.866 -11.223 0.000) 14.942 ======================= Grid point 13 (10/50) ======================= q-point: ( 0.44 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 70 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.642 ( 4.397 19.213 0.000) 19.710 1.684 ( 0.048 13.765 0.000) 13.765 1.927 ( 10.561 -8.245 0.000) 13.399 2.022 ( 1.311 -15.947 0.000) 16.001 2.441 ( 19.508 1.686 0.000) 19.580 2.452 ( 14.651 2.034 0.000) 14.792 2.512 ( 13.519 -3.258 0.000) 13.906 2.533 ( 19.177 -4.898 0.000) 19.792 2.772 ( -7.668 -0.928 0.000) 7.724 2.818 ( -10.972 -3.482 0.000) 11.511 2.907 ( -15.284 -0.160 0.000) 15.285 2.946 ( -16.847 -2.686 0.000) 17.059 3.184 ( 1.130 9.744 0.000) 9.810 3.185 ( -1.660 10.802 0.000) 10.929 3.304 ( 13.792 -0.127 0.000) 13.792 3.393 ( 3.255 -9.007 0.000) 9.577 3.432 ( 4.568 -0.171 0.000) 4.571 3.549 ( 2.784 -10.179 0.000) 10.553 3.626 ( -11.685 0.089 0.000) 11.685 3.665 ( -7.657 -4.082 0.000) 8.677 3.917 ( -0.422 3.802 0.000) 3.826 3.927 ( -0.741 1.714 0.000) 1.867 3.978 ( 1.030 -0.570 0.000) 1.177 3.980 ( 1.713 -1.955 0.000) 2.599 4.269 ( 10.911 4.474 0.000) 11.793 4.352 ( 13.652 -2.892 0.000) 13.955 4.411 ( -1.561 9.575 0.000) 9.701 4.586 ( -6.822 -6.639 0.000) 9.519 4.769 ( 1.050 10.403 0.000) 10.456 4.829 ( -6.114 4.388 0.000) 7.526 4.940 ( 20.465 6.868 0.000) 21.587 4.943 ( 3.780 -6.216 0.000) 7.275 5.008 ( 2.026 -11.869 0.000) 12.041 5.048 ( 20.014 -3.172 0.000) 20.264 5.284 ( -9.003 3.879 0.000) 9.803 5.337 ( 1.815 1.098 0.000) 2.121 5.403 ( 4.170 7.883 0.000) 8.918 5.458 ( -5.164 2.728 0.000) 5.841 5.544 ( 0.147 -5.846 0.000) 5.848 5.551 ( -5.571 -4.233 0.000) 6.996 5.575 ( -1.435 -0.708 0.000) 1.600 5.631 ( -2.043 -3.920 0.000) 4.420 5.657 ( -3.663 -0.869 0.000) 3.765 5.702 ( -9.206 -3.804 0.000) 9.961 5.936 ( 0.707 4.197 0.000) 4.256 5.964 ( -1.355 7.044 0.000) 7.174 5.990 ( 3.600 -1.192 0.000) 3.793 6.065 ( -2.597 -2.953 0.000) 3.933 6.184 ( 7.133 6.291 0.000) 9.511 6.335 ( 2.581 -7.630 0.000) 8.054 6.405 ( -13.154 1.337 0.000) 13.222 6.465 ( -10.093 -4.306 0.000) 10.973 6.883 ( 6.285 3.626 0.000) 7.256 6.927 ( 6.299 -0.690 0.000) 6.337 7.010 ( -6.029 3.449 0.000) 6.946 7.057 ( -6.361 -0.753 0.000) 6.405 7.129 ( 2.986 0.263 0.000) 2.997 7.135 ( 3.761 -0.103 0.000) 3.763 7.199 ( -3.997 0.858 0.000) 4.088 7.222 ( -4.895 -0.975 0.000) 4.991 7.861 ( 1.332 4.740 0.000) 4.924 7.889 ( -0.894 3.657 0.000) 3.765 8.005 ( 1.232 -9.130 0.000) 9.213 8.017 ( 0.641 -8.815 0.000) 8.838 8.529 ( 10.501 6.147 0.000) 12.168 8.645 ( 8.237 -5.689 0.000) 10.011 8.649 ( 1.819 7.383 0.000) 7.604 8.734 ( 2.247 -1.061 0.000) 2.485 8.943 ( -2.482 9.368 0.000) 9.691 8.988 ( -9.142 1.435 0.000) 9.254 9.039 ( -3.792 -2.165 0.000) 4.367 9.096 ( -6.235 -4.608 0.000) 7.753 9.518 ( 2.176 1.364 0.000) 2.568 9.558 ( -1.548 -1.827 0.000) 2.394 9.592 ( 0.707 -3.644 0.000) 3.712 9.621 ( -2.194 -6.434 0.000) 6.798 9.933 ( 2.591 12.023 0.000) 12.299 9.977 ( -1.406 10.573 0.000) 10.666 10.117 ( 2.977 -3.267 0.000) 4.420 10.135 ( 1.162 -7.233 0.000) 7.325 10.713 ( 4.268 5.596 0.000) 7.037 10.810 ( -5.204 1.738 0.000) 5.486 10.861 ( 1.153 -6.272 0.000) 6.377 10.883 ( -1.819 -5.469 0.000) 5.764 10.975 ( 3.914 1.068 0.000) 4.057 11.048 ( -3.956 3.021 0.000) 4.978 11.084 ( -0.837 -7.749 0.000) 7.794 11.130 ( -4.240 -4.343 0.000) 6.069 11.379 ( 0.724 9.929 0.000) 9.955 11.400 ( -1.268 9.122 0.000) 9.210 11.567 ( 0.608 -6.412 0.000) 6.441 11.568 ( 0.595 -7.820 0.000) 7.843 12.196 ( 7.182 4.101 0.000) 8.270 12.281 ( 7.849 -3.748 0.000) 8.698 12.327 ( -5.627 3.656 0.000) 6.710 12.415 ( -5.359 -4.487 0.000) 6.990 12.650 ( 4.012 4.787 0.000) 6.246 12.705 ( -1.494 5.684 0.000) 5.877 12.733 ( 4.790 -3.084 0.000) 5.697 12.803 ( -2.059 -3.580 0.000) 4.130 13.962 ( 15.103 0.389 0.000) 15.108 13.971 ( 14.706 -0.446 0.000) 14.713 14.230 ( -10.879 0.475 0.000) 10.889 14.243 ( -11.673 -0.675 0.000) 11.693 14.586 ( 4.602 2.811 0.000) 5.392 14.647 ( 4.570 -2.799 0.000) 5.359 14.657 ( 1.025 2.704 0.000) 2.892 14.716 ( 0.814 -2.664 0.000) 2.786 15.648 ( 15.896 3.837 0.000) 16.353 15.759 ( 14.945 -7.059 0.000) 16.529 16.008 ( 1.255 1.584 0.000) 2.021 16.043 ( -4.098 -1.772 0.000) 4.465 16.107 ( -1.722 6.333 0.000) 6.563 16.138 ( -17.250 3.938 0.000) 17.694 16.200 ( -7.230 -2.971 0.000) 7.817 16.224 ( -22.019 -4.050 0.000) 22.388 17.495 ( -1.976 7.764 0.000) 8.011 17.533 ( -5.399 5.525 0.000) 7.725 17.648 ( -2.639 -5.098 0.000) 5.740 17.667 ( -4.598 -7.957 0.000) 9.190 ======================= Grid point 27 (11/50) ======================= q-point: ( 0.00 0.00 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 50 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.445 ( 0.000 0.000 20.306) 20.306 0.634 ( 0.000 0.000 29.770) 29.770 1.017 ( 0.000 0.000 46.718) 46.718 1.197 ( 0.000 0.000 12.414) 12.414 1.373 ( 0.000 0.000 14.043) 14.043 1.627 ( 0.000 0.000 14.194) 14.194 1.836 ( 0.000 0.000 4.294) 4.294 1.898 ( 0.000 0.000 -1.486) 1.486 2.195 ( 0.000 0.000 -2.311) 2.311 2.358 ( 0.000 0.000 11.026) 11.026 2.538 ( 0.000 0.000 0.828) 0.828 2.827 ( 0.000 0.000 8.869) 8.869 2.952 ( 0.000 0.000 -0.303) 0.303 2.998 ( 0.000 0.000 3.495) 3.495 3.066 ( 0.000 0.000 2.345) 2.345 3.139 ( 0.000 0.000 13.194) 13.194 3.313 ( 0.000 0.000 2.857) 2.857 3.404 ( 0.000 0.000 1.073) 1.073 3.658 ( 0.000 0.000 -12.689) 12.689 3.787 ( 0.000 0.000 -2.444) 2.444 3.923 ( 0.000 0.000 -1.879) 1.879 3.956 ( 0.000 0.000 -0.500) 0.500 3.986 ( 0.000 0.000 -8.071) 8.071 4.010 ( 0.000 0.000 -6.925) 6.925 4.112 ( 0.000 0.000 -3.657) 3.657 4.141 ( 0.000 0.000 3.042) 3.042 4.191 ( 0.000 0.000 2.502) 2.502 4.199 ( 0.000 0.000 1.510) 1.510 4.203 ( 0.000 0.000 -0.204) 0.204 4.268 ( 0.000 0.000 -3.390) 3.390 4.423 ( 0.000 0.000 -5.289) 5.289 4.726 ( 0.000 0.000 0.099) 0.099 4.732 ( 0.000 0.000 1.114) 1.114 4.934 ( 0.000 0.000 -5.977) 5.977 4.957 ( 0.000 0.000 -6.922) 6.922 5.200 ( 0.000 0.000 1.248) 1.248 5.626 ( 0.000 0.000 0.233) 0.233 5.655 ( 0.000 0.000 -5.096) 5.096 5.705 ( 0.000 0.000 12.175) 12.175 5.735 ( 0.000 0.000 2.876) 2.876 5.773 ( 0.000 0.000 -0.657) 0.657 5.787 ( 0.000 0.000 6.166) 6.166 5.886 ( 0.000 0.000 -0.872) 0.872 5.941 ( 0.000 0.000 -4.084) 4.084 6.003 ( 0.000 0.000 -1.796) 1.796 6.083 ( 0.000 0.000 3.911) 3.911 6.103 ( 0.000 0.000 -2.159) 2.159 6.254 ( 0.000 0.000 -10.772) 10.772 6.318 ( 0.000 0.000 0.809) 0.809 6.352 ( 0.000 0.000 -7.394) 7.394 6.519 ( 0.000 0.000 -3.247) 3.247 6.688 ( 0.000 0.000 0.238) 0.238 6.808 ( 0.000 0.000 -0.580) 0.580 6.809 ( 0.000 0.000 0.290) 0.290 6.854 ( 0.000 0.000 3.486) 3.486 7.106 ( 0.000 0.000 0.587) 0.587 7.303 ( 0.000 0.000 -1.158) 1.158 7.381 ( 0.000 0.000 -3.784) 3.784 7.570 ( 0.000 0.000 -2.657) 2.657 7.746 ( 0.000 0.000 2.280) 2.280 7.806 ( 0.000 0.000 15.579) 15.579 7.844 ( 0.000 0.000 -5.226) 5.226 7.897 ( 0.000 0.000 1.090) 1.090 8.065 ( 0.000 0.000 3.793) 3.793 8.143 ( 0.000 0.000 1.415) 1.415 8.258 ( 0.000 0.000 -2.507) 2.507 8.617 ( 0.000 0.000 0.897) 0.897 8.739 ( 0.000 0.000 -2.860) 2.860 8.843 ( 0.000 0.000 4.078) 4.078 9.030 ( 0.000 0.000 -1.632) 1.632 9.343 ( 0.000 0.000 0.339) 0.339 9.511 ( 0.000 0.000 -0.459) 0.459 9.600 ( 0.000 0.000 -7.782) 7.782 9.763 ( 0.000 0.000 1.307) 1.307 9.810 ( 0.000 0.000 0.372) 0.372 9.899 ( 0.000 0.000 -0.108) 0.108 9.961 ( 0.000 0.000 -1.023) 1.023 10.022 ( 0.000 0.000 6.023) 6.023 10.123 ( 0.000 0.000 -1.120) 1.120 10.164 ( 0.000 0.000 2.828) 2.828 10.316 ( 0.000 0.000 4.280) 4.280 10.378 ( 0.000 0.000 6.146) 6.146 10.576 ( 0.000 0.000 1.105) 1.105 10.603 ( 0.000 0.000 2.270) 2.270 10.655 ( 0.000 0.000 -3.471) 3.471 11.056 ( 0.000 0.000 -2.492) 2.492 11.091 ( 0.000 0.000 -1.396) 1.396 11.338 ( 0.000 0.000 -1.576) 1.576 11.447 ( 0.000 0.000 1.497) 1.497 11.449 ( 0.000 0.000 -8.074) 8.074 11.616 ( 0.000 0.000 5.692) 5.692 11.629 ( 0.000 0.000 13.915) 13.915 11.991 ( 0.000 0.000 -3.282) 3.282 12.307 ( 0.000 0.000 -0.133) 0.133 12.345 ( 0.000 0.000 -4.143) 4.143 12.359 ( 0.000 0.000 -3.096) 3.096 12.497 ( 0.000 0.000 -1.800) 1.800 12.517 ( 0.000 0.000 2.975) 2.975 12.571 ( 0.000 0.000 -7.160) 7.160 12.787 ( 0.000 0.000 1.009) 1.009 13.370 ( 0.000 0.000 -3.606) 3.606 13.416 ( 0.000 0.000 -4.617) 4.617 13.750 ( 0.000 0.000 -5.273) 5.273 13.798 ( 0.000 0.000 -5.948) 5.948 14.149 ( 0.000 0.000 12.414) 12.414 14.350 ( 0.000 0.000 0.336) 0.336 14.462 ( 0.000 0.000 -8.022) 8.022 14.510 ( 0.000 0.000 9.507) 9.507 14.549 ( 0.000 0.000 -8.610) 8.610 15.502 ( 0.000 0.000 -0.421) 0.421 16.045 ( 0.000 0.000 4.907) 4.907 16.164 ( 0.000 0.000 3.179) 3.179 16.638 ( 0.000 0.000 0.732) 0.732 17.209 ( 0.000 0.000 -10.319) 10.319 17.407 ( 0.000 0.000 1.970) 1.970 17.501 ( 0.000 0.000 1.761) 1.761 17.821 ( 0.000 0.000 -3.804) 3.804 17.873 ( 0.000 0.000 -1.562) 1.562 18.142 ( 0.000 0.000 1.748) 1.748 18.189 ( 0.000 0.000 -1.140) 1.140 ======================= Grid point 28 (12/50) ======================= q-point: ( 0.11 0.00 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 82 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.638 ( 16.218 0.000 13.004) 20.788 0.992 ( 22.027 0.000 25.126) 33.414 1.233 ( 25.113 0.000 31.556) 40.329 1.343 ( 13.587 0.000 10.933) 17.440 1.597 ( 16.942 0.000 10.737) 20.057 1.706 ( 9.328 0.000 13.610) 16.499 1.797 ( -4.821 0.000 1.112) 4.947 1.866 ( 0.589 0.000 0.829) 1.017 2.221 ( -3.333 0.000 8.621) 9.242 2.412 ( 15.210 0.000 1.201) 15.257 2.800 ( 18.229 0.000 -1.641) 18.303 2.857 ( 2.898 0.000 5.052) 5.825 2.978 ( 2.452 0.000 3.517) 4.287 3.061 ( 4.848 0.000 3.688) 6.092 3.106 ( 4.199 0.000 1.318) 4.401 3.164 ( 2.685 0.000 9.911) 10.268 3.438 ( 10.012 0.000 1.940) 10.198 3.475 ( 6.899 0.000 0.868) 6.954 3.595 ( -3.324 0.000 -7.174) 7.907 3.780 ( -0.307 0.000 -3.281) 3.295 3.927 ( 0.219 0.000 -2.063) 2.074 3.942 ( -1.170 0.000 -4.588) 4.735 4.003 ( 1.425 0.000 -7.586) 7.719 4.058 ( 0.408 0.000 -3.203) 3.229 4.088 ( -1.926 0.000 -3.367) 3.879 4.106 ( -1.020 0.000 3.926) 4.056 4.148 ( -5.659 0.000 -1.743) 5.922 4.217 ( -1.746 0.000 0.462) 1.806 4.296 ( 5.490 0.000 1.187) 5.617 4.296 ( 9.607 0.000 2.621) 9.959 4.465 ( 3.668 0.000 -5.328) 6.469 4.698 ( -2.689 0.000 -1.935) 3.312 4.752 ( 3.878 0.000 -0.742) 3.948 4.882 ( -2.532 0.000 -3.436) 4.268 5.000 ( 1.699 0.000 -6.205) 6.433 5.173 ( -1.025 0.000 1.063) 1.477 5.553 ( -11.622 0.000 7.213) 13.678 5.663 ( 0.391 0.000 -4.771) 4.787 5.669 ( 2.276 0.000 -0.344) 2.302 5.730 ( 0.243 0.000 1.797) 1.813 5.800 ( -2.481 0.000 2.480) 3.508 5.824 ( 0.512 0.000 -6.946) 6.965 5.867 ( 0.717 0.000 6.001) 6.044 5.931 ( -0.296 0.000 -3.032) 3.046 5.990 ( -1.752 0.000 -0.862) 1.953 6.070 ( 0.231 0.000 0.574) 0.618 6.136 ( -2.080 0.000 -0.924) 2.276 6.237 ( -1.859 0.000 -8.065) 8.277 6.260 ( -4.871 0.000 -0.481) 4.895 6.434 ( 5.712 0.000 -10.478) 11.933 6.543 ( 1.980 0.000 -3.501) 4.022 6.671 ( -0.261 0.000 -4.100) 4.109 6.800 ( -0.727 0.000 0.567) 0.922 6.877 ( 3.081 0.000 2.538) 3.992 6.931 ( 8.225 0.000 4.278) 9.271 7.063 ( -4.407 0.000 0.567) 4.443 7.276 ( -2.583 0.000 -0.369) 2.610 7.385 ( 0.576 0.000 -2.434) 2.501 7.538 ( -3.212 0.000 -2.006) 3.787 7.707 ( -9.735 0.000 10.994) 14.685 7.802 ( 5.801 0.000 1.087) 5.902 7.850 ( -1.613 0.000 2.970) 3.380 7.896 ( 1.171 0.000 -2.657) 2.904 8.029 ( -13.988 0.000 19.577) 24.061 8.113 ( -3.681 0.000 8.519) 9.280 8.164 ( 2.402 0.000 0.062) 2.403 8.313 ( 4.875 0.000 -2.062) 5.293 8.731 ( -0.447 0.000 -3.331) 3.361 8.941 ( -4.961 0.000 -1.111) 5.084 9.075 ( 6.391 0.000 -4.903) 8.055 9.345 ( -0.173 0.000 -0.041) 0.177 9.492 ( -2.176 0.000 -3.133) 3.814 9.573 ( -1.500 0.000 -3.041) 3.391 9.714 ( -5.536 0.000 3.784) 6.706 9.761 ( -1.030 0.000 1.554) 1.864 9.826 ( -6.398 0.000 -4.897) 8.057 9.957 ( 0.171 0.000 4.956) 4.959 10.004 ( -5.920 0.000 1.890) 6.214 10.004 ( -2.583 0.000 4.622) 5.295 10.117 ( 0.014 0.000 4.674) 4.674 10.381 ( 1.636 0.000 0.850) 1.843 10.495 ( 10.108 0.000 5.325) 11.424 10.667 ( 5.539 0.000 2.012) 5.893 10.878 ( 17.470 0.000 -3.401) 17.798 10.948 ( 14.809 0.000 -9.111) 17.387 11.047 ( 0.391 0.000 -1.593) 1.640 11.093 ( 0.066 0.000 -1.229) 1.231 11.342 ( 0.406 0.000 -1.373) 1.432 11.422 ( -2.066 0.000 -2.160) 2.989 11.441 ( -0.956 0.000 -2.941) 3.092 11.585 ( -1.796 0.000 7.494) 7.706 11.652 ( 1.254 0.000 10.789) 10.861 11.857 ( -4.129 0.000 2.181) 4.669 12.324 ( 2.263 0.000 -1.775) 2.876 12.326 ( -10.602 0.000 -3.835) 11.274 12.402 ( 4.271 0.000 -1.880) 4.667 12.474 ( 3.856 0.000 -3.333) 5.097 12.519 ( 0.793 0.000 1.985) 2.137 12.623 ( 1.840 0.000 -3.470) 3.928 12.795 ( 0.825 0.000 0.349) 0.896 13.481 ( -8.206 0.000 15.537) 17.571 13.498 ( 12.697 0.000 -3.280) 13.114 13.586 ( -8.510 0.000 7.274) 11.196 13.591 ( 16.364 0.000 -4.762) 17.043 14.360 ( 3.221 0.000 -0.842) 3.330 14.397 ( 5.724 0.000 -2.602) 6.287 14.451 ( -0.915 0.000 -7.574) 7.629 14.544 ( -0.450 0.000 -8.104) 8.116 14.755 ( 26.876 0.000 8.636) 28.229 15.927 ( 14.890 0.000 -17.491) 22.971 15.974 ( -6.877 0.000 4.852) 8.416 16.119 ( -4.159 0.000 2.606) 4.909 16.602 ( -3.622 0.000 -6.879) 7.775 16.988 ( -21.399 0.000 -7.951) 22.828 17.294 ( -10.150 0.000 1.901) 10.326 17.406 ( -9.309 0.000 1.527) 9.433 17.777 ( -5.114 0.000 -4.662) 6.920 17.888 ( -1.697 0.000 -7.126) 7.325 18.074 ( -5.798 0.000 1.032) 5.889 18.203 ( -1.884 0.000 -7.387) 7.623 ======================= Grid point 29 (13/50) ======================= q-point: ( 0.22 0.00 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 82 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.993 ( 17.387 0.000 6.270) 18.483 1.375 ( 18.970 0.000 24.760) 31.192 1.652 ( 6.308 0.000 4.670) 7.848 1.734 ( 9.227 0.000 3.489) 9.865 1.838 ( 13.614 0.000 5.771) 14.787 1.925 ( 34.324 0.000 11.828) 36.305 1.952 ( 7.711 0.000 2.693) 8.168 2.037 ( 17.672 0.000 12.380) 21.577 2.197 ( 2.312 0.000 10.841) 11.085 2.799 ( 19.855 0.000 -5.365) 20.567 2.902 ( 0.225 0.000 -1.008) 1.033 3.075 ( 7.841 0.000 5.290) 9.459 3.104 ( 8.877 0.000 0.236) 8.880 3.118 ( 0.858 0.000 0.946) 1.277 3.231 ( 7.646 0.000 1.440) 7.780 3.244 ( 4.594 0.000 1.186) 4.745 3.533 ( -4.361 0.000 -0.426) 4.382 3.654 ( 9.632 0.000 -0.544) 9.647 3.667 ( 12.338 0.000 0.800) 12.364 3.826 ( -1.576 0.000 -0.227) 1.592 3.896 ( -3.380 0.000 -2.848) 4.420 3.944 ( -1.255 0.000 -0.341) 1.300 3.969 ( -6.267 0.000 2.522) 6.755 3.993 ( 4.732 0.000 -6.197) 7.797 4.025 ( -2.180 0.000 -2.575) 3.374 4.070 ( 0.876 0.000 -2.561) 2.706 4.121 ( 0.182 0.000 3.601) 3.606 4.209 ( 2.971 0.000 2.518) 3.894 4.442 ( 8.118 0.000 1.340) 8.228 4.505 ( 6.213 0.000 -6.129) 8.727 4.568 ( 6.629 0.000 -5.367) 8.530 4.698 ( 6.707 0.000 -0.468) 6.723 4.845 ( -1.163 0.000 2.105) 2.405 4.902 ( 10.750 0.000 -2.341) 11.002 5.020 ( 0.534 0.000 -6.074) 6.098 5.172 ( 0.902 0.000 -2.234) 2.410 5.307 ( -11.557 0.000 2.173) 11.759 5.652 ( -1.760 0.000 -4.658) 4.980 5.656 ( -3.327 0.000 -6.354) 7.172 5.724 ( -3.838 0.000 4.751) 6.107 5.764 ( -0.922 0.000 -1.035) 1.386 5.781 ( -0.898 0.000 -1.272) 1.557 5.901 ( 1.166 0.000 8.193) 8.275 5.936 ( -2.513 0.000 -1.535) 2.945 5.946 ( 1.571 0.000 1.335) 2.062 6.026 ( -7.567 0.000 -4.134) 8.622 6.068 ( -2.141 0.000 0.948) 2.341 6.140 ( -6.992 0.000 -2.145) 7.313 6.178 ( -3.236 0.000 -3.631) 4.864 6.474 ( -0.919 0.000 -4.294) 4.391 6.588 ( 2.228 0.000 -3.700) 4.319 6.673 ( 0.025 0.000 -5.303) 5.303 6.797 ( 0.928 0.000 1.511) 1.773 6.908 ( -6.519 0.000 -1.391) 6.665 6.996 ( 3.388 0.000 1.917) 3.892 7.053 ( 3.457 0.000 5.368) 6.385 7.206 ( -4.239 0.000 1.345) 4.447 7.393 ( -0.761 0.000 3.541) 3.622 7.449 ( -5.294 0.000 -1.085) 5.404 7.489 ( -9.189 0.000 10.520) 13.969 7.830 ( 0.827 0.000 3.894) 3.981 7.860 ( -3.645 0.000 6.633) 7.569 7.937 ( 1.715 0.000 -2.902) 3.371 7.974 ( 10.750 0.000 0.551) 10.764 8.140 ( 2.274 0.000 5.554) 6.001 8.246 ( 5.677 0.000 -1.682) 5.921 8.431 ( 6.544 0.000 -2.973) 7.188 8.731 ( 0.379 0.000 -4.128) 4.146 8.819 ( -5.918 0.000 -0.744) 5.964 9.193 ( 4.889 0.000 -6.056) 7.783 9.304 ( -4.589 0.000 -1.974) 4.995 9.425 ( -4.605 0.000 -2.973) 5.481 9.566 ( 0.741 0.000 0.737) 1.045 9.576 ( -7.593 0.000 5.371) 9.300 9.709 ( -4.077 0.000 -3.802) 5.575 9.740 ( -1.280 0.000 1.142) 1.716 9.898 ( -5.259 0.000 3.311) 6.215 9.967 ( 2.044 0.000 3.820) 4.333 9.969 ( -1.274 0.000 5.569) 5.713 10.152 ( 2.660 0.000 3.978) 4.785 10.434 ( 4.170 0.000 1.304) 4.369 10.716 ( 10.780 0.000 4.383) 11.637 10.783 ( 5.282 0.000 2.424) 5.812 10.959 ( -2.980 0.000 -4.020) 5.004 11.086 ( 0.734 0.000 -0.899) 1.160 11.087 ( -0.903 0.000 -0.481) 1.023 11.191 ( 5.223 0.000 -3.715) 6.409 11.343 ( -0.760 0.000 0.970) 1.233 11.371 ( -2.955 0.000 1.623) 3.371 11.451 ( 3.693 0.000 0.530) 3.731 11.563 ( 0.014 0.000 3.717) 3.717 11.676 ( 1.213 0.000 9.288) 9.367 11.918 ( 8.366 0.000 -1.448) 8.490 12.113 ( -8.890 0.000 -0.432) 8.900 12.392 ( 4.059 0.000 -2.069) 4.555 12.480 ( 3.593 0.000 -2.272) 4.251 12.495 ( -1.622 0.000 -0.296) 1.649 12.571 ( 4.090 0.000 1.176) 4.256 12.635 ( -0.589 0.000 -0.573) 0.821 12.819 ( 1.344 0.000 -0.616) 1.479 13.485 ( 6.075 0.000 7.373) 9.553 13.541 ( 3.746 0.000 7.498) 8.382 13.861 ( 22.563 0.000 -2.944) 22.755 14.017 ( 24.238 0.000 -5.118) 24.773 14.401 ( 1.042 0.000 0.441) 1.131 14.437 ( -0.073 0.000 -5.881) 5.881 14.463 ( 1.166 0.000 -1.190) 1.666 14.542 ( 0.813 0.000 -6.256) 6.309 15.333 ( 26.654 0.000 -1.831) 26.717 15.788 ( -10.855 0.000 4.568) 11.777 16.018 ( -4.416 0.000 0.422) 4.436 16.035 ( -0.617 0.000 -4.014) 4.061 16.446 ( -29.587 0.000 -2.990) 29.737 16.499 ( -6.315 0.000 -9.625) 11.511 17.015 ( -17.621 0.000 0.879) 17.643 17.135 ( -17.409 0.000 0.744) 17.424 17.632 ( -8.822 0.000 -4.848) 10.066 17.785 ( -7.612 0.000 -6.756) 10.177 17.920 ( -9.180 0.000 -0.820) 9.217 18.073 ( -10.193 0.000 -8.420) 13.221 ======================= Grid point 30 (14/50) ======================= q-point: ( 0.33 0.00 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 82 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.286 ( 11.300 0.000 3.597) 11.858 1.614 ( -2.816 0.000 1.850) 3.369 1.766 ( 19.343 0.000 16.750) 25.588 2.077 ( 10.667 0.000 0.776) 10.695 2.108 ( 19.253 0.000 3.290) 19.532 2.175 ( 14.493 0.000 4.833) 15.277 2.334 ( 10.969 0.000 7.279) 13.165 2.337 ( 14.057 0.000 12.939) 19.105 2.597 ( 27.551 0.000 2.814) 27.694 2.890 ( 0.760 0.000 1.284) 1.492 3.016 ( 0.080 0.000 -9.273) 9.273 3.057 ( -5.350 0.000 1.366) 5.522 3.191 ( -3.879 0.000 -2.298) 4.508 3.216 ( 0.907 0.000 0.090) 0.912 3.362 ( -6.611 0.000 -0.459) 6.627 3.381 ( 6.122 0.000 1.152) 6.229 3.426 ( 15.987 0.000 2.544) 16.189 3.539 ( -15.138 0.000 1.833) 15.249 3.793 ( -3.919 0.000 2.697) 4.758 3.861 ( -2.860 0.000 -4.189) 5.072 3.866 ( 2.656 0.000 -2.846) 3.893 3.898 ( -7.675 0.000 -0.464) 7.689 3.952 ( 1.381 0.000 0.107) 1.385 4.016 ( 12.693 0.000 1.595) 12.792 4.092 ( 5.496 0.000 -0.798) 5.553 4.113 ( 2.641 0.000 6.536) 7.049 4.233 ( 6.552 0.000 -1.483) 6.718 4.453 ( 20.097 0.000 1.646) 20.164 4.530 ( 0.405 0.000 -8.068) 8.078 4.649 ( 14.427 0.000 0.541) 14.438 4.731 ( 9.738 0.000 -5.839) 11.354 4.816 ( -1.891 0.000 3.216) 3.731 4.899 ( 1.912 0.000 -3.636) 4.108 5.036 ( 4.758 0.000 0.917) 4.845 5.113 ( 6.013 0.000 -6.180) 8.622 5.167 ( 0.347 0.000 -1.889) 1.920 5.223 ( 5.785 0.000 -5.608) 8.057 5.548 ( -9.012 0.000 -7.055) 11.444 5.594 ( -3.636 0.000 -4.140) 5.510 5.659 ( -3.476 0.000 -1.937) 3.980 5.672 ( -0.825 0.000 4.132) 4.213 5.800 ( -3.135 0.000 0.984) 3.286 5.832 ( -5.289 0.000 5.199) 7.417 5.844 ( -9.302 0.000 -6.217) 11.188 5.959 ( -2.347 0.000 -0.522) 2.404 5.960 ( -6.243 0.000 -0.008) 6.243 5.985 ( 1.747 0.000 3.887) 4.262 6.007 ( -0.951 0.000 0.191) 0.970 6.144 ( -0.818 0.000 1.411) 1.631 6.446 ( -1.183 0.000 -0.247) 1.209 6.563 ( -6.306 0.000 -5.728) 8.519 6.712 ( 4.949 0.000 -0.442) 4.969 6.723 ( -9.867 0.000 -0.051) 9.867 6.856 ( 4.574 0.000 3.126) 5.541 7.075 ( 3.285 0.000 2.152) 3.927 7.083 ( -1.314 0.000 1.177) 1.764 7.122 ( -2.302 0.000 4.351) 4.922 7.308 ( -6.234 0.000 9.413) 11.290 7.338 ( -5.530 0.000 -0.299) 5.538 7.374 ( -3.881 0.000 6.440) 7.520 7.810 ( -1.406 0.000 2.230) 2.636 7.856 ( 0.251 0.000 -0.914) 0.948 7.994 ( 4.523 0.000 -4.178) 6.157 8.182 ( 1.434 0.000 4.555) 4.775 8.208 ( 12.077 0.000 0.593) 12.092 8.377 ( 6.758 0.000 -3.086) 7.429 8.565 ( 6.470 0.000 -4.938) 8.139 8.736 ( -0.155 0.000 -4.375) 4.378 8.741 ( -1.001 0.000 0.891) 1.340 9.175 ( -7.397 0.000 -1.827) 7.620 9.199 ( -6.381 0.000 -3.534) 7.295 9.290 ( -8.412 0.000 -0.836) 8.454 9.487 ( 1.014 0.000 3.793) 3.926 9.596 ( 1.803 0.000 0.104) 1.806 9.684 ( 1.101 0.000 -1.158) 1.598 9.707 ( -2.077 0.000 0.704) 2.193 9.796 ( -4.204 0.000 2.774) 5.037 9.928 ( -2.871 0.000 4.693) 5.501 10.052 ( 5.532 0.000 3.258) 6.420 10.203 ( 1.993 0.000 2.330) 3.066 10.551 ( 7.106 0.000 2.384) 7.496 10.856 ( 3.344 0.000 2.599) 4.235 10.883 ( -4.168 0.000 -2.497) 4.859 10.927 ( 9.001 0.000 4.437) 10.035 11.049 ( -2.859 0.000 0.968) 3.019 11.062 ( -1.736 0.000 2.328) 2.904 11.190 ( -2.596 0.000 -4.580) 5.265 11.304 ( -3.054 0.000 3.794) 4.871 11.313 ( -2.416 0.000 1.579) 2.886 11.489 ( -3.255 0.000 6.729) 7.475 11.588 ( 2.225 0.000 0.603) 2.306 11.695 ( 0.446 0.000 6.268) 6.284 12.027 ( 2.890 0.000 -0.671) 2.967 12.132 ( 10.453 0.000 -0.598) 10.470 12.426 ( -4.983 0.000 1.339) 5.160 12.475 ( 4.137 0.000 -2.507) 4.837 12.561 ( 4.032 0.000 -3.463) 5.315 12.595 ( -3.552 0.000 1.510) 3.860 12.652 ( 3.676 0.000 -0.124) 3.678 12.835 ( -0.065 0.000 -1.693) 1.694 13.671 ( 12.077 0.000 1.393) 12.157 13.708 ( 11.787 0.000 2.636) 12.078 14.336 ( 21.063 0.000 -2.975) 21.272 14.375 ( -4.276 0.000 0.210) 4.282 14.426 ( -5.425 0.000 -0.538) 5.451 14.452 ( 14.657 0.000 -5.970) 15.826 14.474 ( 5.400 0.000 -2.156) 5.814 14.620 ( 8.917 0.000 -1.116) 8.986 15.588 ( -7.035 0.000 3.756) 7.975 15.764 ( 15.780 0.000 -3.769) 16.224 15.922 ( -19.113 0.000 -1.224) 19.152 15.958 ( -0.496 0.000 0.271) 0.565 16.024 ( 0.557 0.000 -1.357) 1.466 16.359 ( -7.549 0.000 -5.875) 9.566 16.593 ( -24.017 0.000 0.331) 24.019 16.725 ( -22.891 0.000 -0.608) 22.900 17.453 ( -7.970 0.000 -4.995) 9.406 17.610 ( -9.406 0.000 -4.743) 10.535 17.734 ( -8.357 0.000 -4.705) 9.591 17.845 ( -11.242 0.000 -7.379) 13.448 ======================= Grid point 31 (15/50) ======================= q-point: ( 0.44 0.00 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 82 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.456 ( 6.158 0.000 3.248) 6.962 1.551 ( -3.693 0.000 2.869) 4.676 2.104 ( 12.548 0.000 9.304) 15.621 2.213 ( 1.638 0.000 2.115) 2.675 2.440 ( 13.031 0.000 -0.228) 13.033 2.479 ( 11.583 0.000 3.277) 12.037 2.596 ( 13.795 0.000 4.232) 14.429 2.645 ( 16.665 0.000 7.995) 18.484 2.828 ( 3.147 0.000 -2.735) 4.169 2.870 ( -12.462 0.000 1.191) 12.519 2.947 ( -3.885 0.000 -3.862) 5.477 2.983 ( -7.707 0.000 3.579) 8.497 3.020 ( -12.081 0.000 0.991) 12.121 3.029 ( -9.740 0.000 -0.385) 9.747 3.339 ( 11.321 0.000 4.443) 12.162 3.446 ( 3.541 0.000 -1.055) 3.695 3.484 ( 2.112 0.000 0.105) 2.115 3.664 ( -14.217 0.000 2.388) 14.416 3.669 ( 5.321 0.000 -2.043) 5.700 3.729 ( -2.548 0.000 -1.798) 3.118 3.883 ( 5.989 0.000 -0.884) 6.054 3.889 ( 0.929 0.000 -1.079) 1.424 3.928 ( -2.620 0.000 -1.308) 2.929 4.004 ( -4.766 0.000 4.758) 6.734 4.246 ( 6.285 0.000 0.877) 6.346 4.304 ( 0.488 0.000 0.184) 0.522 4.382 ( 14.113 0.000 0.239) 14.115 4.557 ( -0.428 0.000 -3.866) 3.890 4.745 ( -4.028 0.000 2.711) 4.855 4.785 ( -6.098 0.000 -0.277) 6.104 4.826 ( 16.549 0.000 -3.823) 16.985 4.938 ( 13.181 0.000 -4.570) 13.951 5.047 ( 6.730 0.000 -6.520) 9.371 5.099 ( 8.269 0.000 -3.729) 9.071 5.172 ( 5.751 0.000 -3.775) 6.879 5.240 ( 0.984 0.000 -3.926) 4.048 5.260 ( -15.433 0.000 -1.814) 15.539 5.384 ( 3.263 0.000 -5.683) 6.553 5.550 ( -12.705 0.000 -5.121) 13.698 5.571 ( 3.342 0.000 1.540) 3.680 5.612 ( -9.669 0.000 -7.827) 12.440 5.674 ( -2.450 0.000 2.623) 3.589 5.734 ( -0.963 0.000 2.981) 3.133 5.784 ( 5.912 0.000 0.645) 5.947 5.821 ( -6.870 0.000 -2.392) 7.274 5.894 ( -3.265 0.000 2.026) 3.843 6.031 ( 3.355 0.000 3.753) 5.034 6.108 ( -3.255 0.000 2.263) 3.965 6.137 ( 10.018 0.000 1.531) 10.135 6.369 ( -11.866 0.000 -2.132) 12.056 6.447 ( 1.908 0.000 1.752) 2.591 6.540 ( -7.440 0.000 1.789) 7.652 6.839 ( 7.115 0.000 0.835) 7.164 6.975 ( 6.666 0.000 4.190) 7.874 6.980 ( -6.636 0.000 1.478) 6.799 7.092 ( -3.374 0.000 4.179) 5.371 7.152 ( 3.205 0.000 1.752) 3.653 7.229 ( 0.328 0.000 7.163) 7.171 7.234 ( -4.763 0.000 0.440) 4.784 7.290 ( -4.249 0.000 7.372) 8.508 7.804 ( 0.817 0.000 -0.578) 1.000 7.834 ( -1.808 0.000 -1.963) 2.669 8.098 ( 5.005 0.000 -2.306) 5.510 8.176 ( -2.322 0.000 0.996) 2.527 8.429 ( 8.641 0.000 -1.241) 8.730 8.486 ( 2.918 0.000 -3.965) 4.923 8.665 ( 2.961 0.000 -5.751) 6.469 8.716 ( -2.104 0.000 -4.345) 4.828 8.804 ( 7.201 0.000 2.439) 7.603 8.999 ( -11.214 0.000 1.277) 11.287 9.060 ( -2.048 0.000 0.572) 2.127 9.124 ( -7.105 0.000 0.190) 7.107 9.565 ( 4.854 0.000 0.394) 4.870 9.634 ( 2.132 0.000 -0.230) 2.145 9.651 ( -3.559 0.000 0.208) 3.565 9.682 ( -2.343 0.000 -0.882) 2.504 9.781 ( 3.097 0.000 3.466) 4.648 9.858 ( -3.931 0.000 3.827) 5.486 10.159 ( 4.518 0.000 1.666) 4.815 10.216 ( -1.005 0.000 1.011) 1.426 10.693 ( 6.361 0.000 2.615) 6.877 10.798 ( -4.428 0.000 0.296) 4.438 10.915 ( 2.989 0.000 2.659) 4.001 10.981 ( -3.544 0.000 2.168) 4.154 11.059 ( 2.072 0.000 2.122) 2.966 11.092 ( 7.371 0.000 4.413) 8.591 11.127 ( -3.649 0.000 -1.449) 3.926 11.220 ( -5.311 0.000 4.390) 6.891 11.291 ( 0.759 0.000 2.232) 2.357 11.364 ( -6.442 0.000 5.860) 8.708 11.641 ( 2.746 0.000 1.103) 2.959 11.686 ( -1.480 0.000 3.136) 3.468 12.151 ( 7.756 0.000 0.122) 7.757 12.303 ( -6.976 0.000 1.107) 7.063 12.334 ( 9.096 0.000 0.974) 9.148 12.493 ( -6.551 0.000 1.877) 6.815 12.556 ( 3.638 0.000 -2.873) 4.636 12.602 ( -0.434 0.000 -2.628) 2.664 12.731 ( 4.290 0.000 -3.029) 5.252 12.807 ( -2.831 0.000 -3.039) 4.153 13.949 ( 14.778 0.000 -0.829) 14.801 13.973 ( 13.837 0.000 -0.369) 13.842 14.219 ( -11.048 0.000 -0.735) 11.072 14.242 ( -12.280 0.000 -0.814) 12.307 14.546 ( 6.885 0.000 -0.553) 6.907 14.612 ( 4.147 0.000 -1.099) 4.291 14.675 ( 4.966 0.000 -0.064) 4.967 14.754 ( -0.525 0.000 0.606) 0.802 15.629 ( 13.922 0.000 1.628) 14.017 15.841 ( 11.793 0.000 -3.237) 12.229 15.967 ( 5.097 0.000 -2.005) 5.477 15.991 ( 2.117 0.000 -0.504) 2.176 16.076 ( 4.472 0.000 -0.881) 4.558 16.077 ( -26.071 0.000 0.289) 26.072 16.203 ( -7.645 0.000 -2.413) 8.017 16.245 ( -23.943 0.000 -2.215) 24.046 17.357 ( -0.641 0.000 -4.634) 4.679 17.432 ( -7.352 0.000 -3.645) 8.206 17.623 ( -2.019 0.000 -7.591) 7.855 17.664 ( -6.002 0.000 -7.357) 9.494 ======================= Grid point 36 (16/50) ======================= q-point: ( 0.00 0.33 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 70 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.796 ( 0.000 13.475 23.221) 26.847 0.799 ( 0.000 17.027 20.073) 26.322 1.068 ( 0.000 -8.805 22.254) 23.933 1.121 ( 0.000 -1.059 25.517) 25.539 1.219 ( 0.000 6.467 15.776) 17.050 1.653 ( 0.000 -10.366 0.130) 10.367 1.923 ( 0.000 2.490 8.275) 8.641 1.946 ( 0.000 -10.126 13.068) 16.532 2.226 ( 0.000 13.108 4.305) 13.797 2.437 ( 0.000 -8.664 3.814) 9.466 2.575 ( 0.000 17.339 -14.388) 22.531 2.811 ( 0.000 -6.641 0.412) 6.654 2.974 ( 0.000 3.183 2.595) 4.106 3.022 ( 0.000 2.103 4.693) 5.143 3.111 ( 0.000 1.840 0.972) 2.081 3.135 ( 0.000 -0.665 5.468) 5.509 3.277 ( 0.000 -5.062 -4.817) 6.988 3.285 ( 0.000 -2.504 2.326) 3.417 3.751 ( 0.000 4.573 -6.666) 8.084 3.790 ( 0.000 -0.016 -2.953) 2.953 3.943 ( 0.000 1.748 -3.739) 4.128 3.984 ( 0.000 -2.045 -6.426) 6.744 4.005 ( 0.000 4.334 0.472) 4.360 4.058 ( 0.000 3.279 -4.964) 5.949 4.131 ( 0.000 2.083 -3.585) 4.146 4.144 ( 0.000 0.570 1.245) 1.370 4.157 ( 0.000 -0.797 1.445) 1.650 4.190 ( 0.000 -0.508 0.666) 0.838 4.207 ( 0.000 -4.234 -1.975) 4.672 4.296 ( 0.000 -4.167 -2.102) 4.668 4.350 ( 0.000 6.636 -0.988) 6.709 4.582 ( 0.000 -11.524 0.133) 11.525 4.793 ( 0.000 4.804 0.170) 4.807 4.896 ( 0.000 -5.230 -2.338) 5.728 5.047 ( 0.000 8.953 -7.292) 11.547 5.179 ( 0.000 -2.842 -4.188) 5.061 5.652 ( 0.000 1.231 0.559) 1.352 5.664 ( 0.000 -1.202 2.669) 2.927 5.667 ( 0.000 -0.102 -3.603) 3.604 5.682 ( 0.000 -1.621 5.513) 5.746 5.809 ( 0.000 3.708 0.944) 3.826 5.869 ( 0.000 -1.057 2.199) 2.440 5.894 ( 0.000 1.773 3.428) 3.859 5.988 ( 0.000 -6.149 5.483) 8.238 6.053 ( 0.000 3.413 -5.868) 6.788 6.096 ( 0.000 11.497 -1.488) 11.593 6.100 ( 0.000 -0.809 -3.784) 3.870 6.232 ( 0.000 -1.657 -4.548) 4.841 6.264 ( 0.000 -4.199 -5.003) 6.532 6.271 ( 0.000 -4.633 -3.470) 5.788 6.634 ( 0.000 7.431 -7.695) 10.697 6.753 ( 0.000 -4.638 -4.605) 6.536 6.802 ( 0.000 5.161 -0.937) 5.246 6.817 ( 0.000 0.548 0.590) 0.805 6.878 ( 0.000 5.678 1.880) 5.981 7.062 ( 0.000 -7.880 -1.726) 8.067 7.331 ( 0.000 8.412 4.149) 9.379 7.458 ( 0.000 4.822 -3.295) 5.840 7.525 ( 0.000 -5.087 -1.634) 5.343 7.588 ( 0.000 -10.812 1.412) 10.904 7.840 ( 0.000 3.458 14.551) 14.957 7.899 ( 0.000 -0.486 0.998) 1.110 7.919 ( 0.000 2.726 3.829) 4.701 8.094 ( 0.000 -4.577 7.550) 8.829 8.122 ( 0.000 -8.991 9.967) 13.423 8.216 ( 0.000 -4.170 -3.025) 5.151 8.293 ( 0.000 7.495 6.560) 9.960 8.537 ( 0.000 -13.683 2.059) 13.837 8.936 ( 0.000 4.005 -1.487) 4.272 8.989 ( 0.000 -1.876 -3.278) 3.777 9.364 ( 0.000 2.535 0.875) 2.682 9.450 ( 0.000 -5.617 1.126) 5.729 9.677 ( 0.000 6.681 -5.281) 8.516 9.763 ( 0.000 0.550 1.209) 1.328 9.804 ( 0.000 2.917 1.240) 3.170 9.876 ( 0.000 -5.938 -0.283) 5.945 10.025 ( 0.000 0.604 4.983) 5.020 10.042 ( 0.000 0.297 0.330) 0.444 10.162 ( 0.000 0.518 1.300) 1.399 10.163 ( 0.000 -0.010 2.545) 2.545 10.354 ( 0.000 1.615 3.934) 4.253 10.373 ( 0.000 -0.534 5.683) 5.708 10.596 ( 0.000 2.052 -0.682) 2.162 10.637 ( 0.000 -1.746 -2.658) 3.180 10.879 ( 0.000 14.084 -12.516) 18.842 11.023 ( 0.000 -3.392 -4.451) 5.596 11.168 ( 0.000 8.346 -3.612) 9.094 11.324 ( 0.000 -3.535 -3.677) 5.100 11.411 ( 0.000 -1.833 -4.944) 5.273 11.427 ( 0.000 -1.840 0.431) 1.889 11.599 ( 0.000 -0.089 7.151) 7.152 11.614 ( 0.000 -1.133 11.183) 11.241 12.153 ( 0.000 9.613 -10.072) 13.923 12.272 ( 0.000 -4.094 -6.149) 7.387 12.345 ( 0.000 4.112 -1.400) 4.344 12.424 ( 0.000 2.771 -1.832) 3.322 12.443 ( 0.000 -4.135 -2.375) 4.769 12.477 ( 0.000 -1.918 -1.910) 2.707 12.652 ( 0.000 4.624 -2.716) 5.363 12.738 ( 0.000 -4.085 0.334) 4.098 13.381 ( 0.000 0.974 -3.824) 3.946 13.403 ( 0.000 -1.128 -4.338) 4.483 13.765 ( 0.000 1.317 -5.278) 5.440 13.789 ( 0.000 -0.876 -5.640) 5.708 14.229 ( 0.000 8.205 12.997) 15.371 14.351 ( 0.000 -0.835 0.167) 0.851 14.491 ( 0.000 2.293 -7.874) 8.201 14.491 ( 0.000 -0.270 10.179) 10.183 14.540 ( 0.000 -1.193 -4.712) 4.860 14.753 ( 0.000 -32.663 34.668) 47.631 16.169 ( 0.000 1.327 0.885) 1.595 16.170 ( 0.000 0.460 2.629) 2.669 16.993 ( 0.000 16.578 -16.351) 23.285 17.179 ( 0.000 -4.050 -12.279) 12.930 17.419 ( 0.000 1.573 1.679) 2.301 17.468 ( 0.000 -2.786 1.577) 3.201 17.833 ( 0.000 1.075 -3.038) 3.223 17.858 ( 0.000 -1.268 -1.817) 2.216 18.138 ( 0.000 -0.228 2.249) 2.261 18.148 ( 0.000 -1.790 2.477) 3.056 ======================= Grid point 37 (17/50) ======================= q-point: ( 0.11 0.33 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 122 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.891 ( 11.668 17.731 12.907) 24.842 1.059 ( 16.176 5.098 24.005) 29.392 1.199 ( 12.137 -8.373 19.393) 24.362 1.334 ( 16.860 -11.121 16.345) 25.983 1.430 ( 21.443 12.786 11.042) 27.298 1.760 ( 11.084 -3.929 2.650) 12.054 1.949 ( 3.469 5.454 10.058) 11.956 2.016 ( 6.270 -7.924 10.283) 14.417 2.218 ( -4.306 14.158 -5.005) 15.622 2.366 ( 1.110 0.379 5.721) 5.840 2.750 ( 14.126 -2.072 -1.053) 14.316 2.802 ( 0.282 -5.106 0.109) 5.115 2.992 ( 4.363 -1.652 5.301) 7.062 3.034 ( 0.586 -2.908 3.174) 4.345 3.157 ( 5.443 5.114 1.627) 7.644 3.205 ( 5.010 0.622 3.254) 6.007 3.335 ( 6.191 -0.629 -1.611) 6.428 3.411 ( 10.589 -4.399 1.914) 11.625 3.748 ( 0.606 6.750 -4.803) 8.306 3.798 ( 0.481 0.881 -3.822) 3.952 3.944 ( -0.089 1.328 -4.230) 4.434 3.956 ( -1.413 0.408 -3.849) 4.120 4.034 ( -0.917 -0.570 -3.647) 3.804 4.057 ( -1.523 1.007 -2.592) 3.171 4.087 ( -4.889 -0.803 -0.355) 4.967 4.139 ( 0.034 3.059 -0.051) 3.060 4.144 ( 0.781 2.139 -1.068) 2.515 4.167 ( -1.708 -0.402 1.153) 2.100 4.212 ( 2.123 -4.170 1.261) 4.846 4.328 ( 3.134 -8.687 -3.812) 9.991 4.463 ( 9.774 8.892 1.180) 13.266 4.653 ( 6.754 -8.601 -0.258) 10.939 4.784 ( -0.848 6.186 -2.102) 6.588 4.894 ( -0.060 -3.628 -3.885) 5.316 5.039 ( -0.530 7.322 -4.709) 8.721 5.166 ( -0.998 -2.807 -3.840) 4.860 5.532 ( -9.996 -1.376 7.361) 12.490 5.562 ( -5.053 -6.032 6.052) 9.927 5.665 ( -0.708 0.995 -3.195) 3.420 5.688 ( 0.172 -0.517 -3.658) 3.698 5.796 ( -1.599 2.263 -2.063) 3.455 5.845 ( -1.599 -1.152 -1.681) 2.591 5.955 ( 2.654 3.618 3.382) 5.618 6.020 ( 0.855 -0.044 0.737) 1.130 6.052 ( -0.441 1.412 -1.847) 2.366 6.075 ( -0.654 4.767 -0.424) 4.830 6.150 ( 0.368 4.078 -0.915) 4.196 6.195 ( -3.532 -1.287 -7.169) 8.095 6.210 ( -3.257 -4.032 -0.578) 5.215 6.315 ( 2.515 -7.106 -5.228) 9.173 6.673 ( 2.435 7.048 -8.247) 11.118 6.734 ( -0.875 2.869 -6.332) 7.007 6.806 ( -0.740 0.657 0.567) 1.141 6.840 ( 2.449 -2.838 0.511) 3.784 6.926 ( 4.251 2.371 2.642) 5.538 7.034 ( -2.317 -5.734 -0.268) 6.190 7.317 ( -1.705 7.353 4.117) 8.598 7.452 ( -1.091 2.288 -1.897) 3.166 7.493 ( -2.375 -2.677 0.409) 3.602 7.607 ( 0.168 -9.220 2.984) 9.693 7.774 ( -4.324 2.251 10.583) 11.652 7.839 ( -4.525 -2.500 8.285) 9.766 7.945 ( -0.679 -1.129 7.365) 7.482 7.968 ( -4.404 -3.010 7.181) 8.946 8.127 ( 2.117 7.056 -2.550) 7.795 8.246 ( 3.078 -0.787 -2.370) 3.963 8.305 ( 3.493 6.138 2.607) 7.528 8.555 ( -0.335 -15.032 1.250) 15.087 8.947 ( 0.130 3.446 -2.484) 4.250 9.026 ( 3.426 -3.806 -3.736) 6.338 9.364 ( -0.372 2.238 0.678) 2.368 9.441 ( -1.036 -5.003 0.457) 5.129 9.631 ( -3.651 6.235 -3.824) 8.174 9.724 ( -3.994 -0.162 1.246) 4.187 9.792 ( -1.684 2.054 1.346) 2.978 9.840 ( -3.736 -4.371 -1.098) 5.854 9.935 ( -5.340 4.380 2.449) 7.328 10.018 ( -2.598 -0.711 1.913) 3.304 10.051 ( -3.941 0.962 3.786) 5.549 10.072 ( -1.667 -2.950 5.526) 6.482 10.450 ( 6.231 3.117 3.219) 7.674 10.486 ( 9.313 -1.013 4.965) 10.603 10.816 ( 4.457 10.208 -1.975) 11.312 10.880 ( 16.695 0.075 -3.287) 17.016 10.927 ( 7.507 0.181 -9.395) 12.027 11.009 ( -0.884 -4.123 -3.840) 5.704 11.192 ( 2.766 7.976 -3.192) 9.025 11.324 ( 0.188 -3.234 -2.826) 4.299 11.404 ( -0.694 -1.093 -2.889) 3.165 11.415 ( -0.575 -1.775 -0.490) 1.929 11.588 ( -0.581 1.023 7.738) 7.827 11.624 ( 0.672 -2.222 9.538) 9.817 11.990 ( -9.023 10.855 -1.914) 14.244 12.195 ( -8.557 -8.712 -4.524) 13.023 12.379 ( 0.902 1.491 -1.331) 2.193 12.397 ( 2.670 -0.476 -1.560) 3.128 12.477 ( 1.156 0.300 -0.957) 1.530 12.493 ( 1.787 -1.358 0.110) 2.247 12.684 ( 1.886 4.217 -2.703) 5.352 12.758 ( 1.751 -3.165 -0.950) 3.740 13.490 ( -0.598 0.730 7.926) 7.982 13.503 ( 4.949 -0.157 2.800) 5.688 13.573 ( 2.873 0.200 2.137) 3.587 13.590 ( 4.207 -0.788 1.658) 4.590 14.374 ( 2.196 1.164 -0.565) 2.549 14.395 ( 3.346 -0.491 -2.203) 4.036 14.483 ( -0.480 2.395 -7.152) 7.557 14.525 ( -0.421 -1.638 -7.806) 7.987 14.881 ( 32.262 13.982 6.747) 35.803 15.339 ( 30.688 -31.462 0.886) 43.959 16.127 ( -3.927 0.735 1.767) 4.369 16.128 ( -3.929 1.331 0.398) 4.168 16.789 ( -16.071 11.292 -10.079) 22.077 16.945 ( -21.088 -4.628 -8.619) 23.247 17.316 ( -9.627 2.271 1.539) 10.011 17.373 ( -9.295 -2.903 1.403) 9.838 17.803 ( -3.930 2.542 -5.028) 6.869 17.863 ( -1.678 -2.723 -6.989) 7.686 18.076 ( -5.580 0.679 1.772) 5.894 18.124 ( -3.670 -4.538 0.123) 5.837 ======================= Grid point 38 (18/50) ======================= q-point: ( 0.22 0.33 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 122 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.186 ( 16.159 15.378 5.560) 22.990 1.383 ( 16.038 1.299 17.038) 23.435 1.498 ( 16.182 -8.361 13.233) 22.514 1.640 ( 15.275 -14.412 8.056) 22.493 1.906 ( 11.068 8.432 6.433) 15.329 1.995 ( 10.503 3.006 6.924) 12.934 2.101 ( 13.422 17.451 6.434) 22.936 2.159 ( 13.216 8.258 4.952) 16.352 2.258 ( 8.957 -0.522 2.151) 9.227 2.512 ( 15.486 -20.474 4.919) 26.138 2.832 ( 1.949 -0.508 0.661) 2.120 2.945 ( 3.531 -9.499 2.767) 10.506 3.128 ( 9.654 1.979 -1.214) 9.930 3.202 ( 13.144 -2.451 2.309) 13.568 3.273 ( 5.295 3.780 1.508) 6.678 3.300 ( 3.886 2.725 1.257) 4.909 3.480 ( 4.695 1.655 0.427) 4.997 3.579 ( 2.976 -3.693 0.574) 4.777 3.772 ( -3.937 2.493 -4.168) 6.252 3.824 ( 4.604 -0.156 -2.796) 5.389 3.893 ( -5.949 0.268 -2.496) 6.457 3.939 ( -2.116 -1.588 -4.028) 4.819 3.982 ( -1.087 1.566 0.203) 1.917 4.005 ( 1.844 0.857 -1.094) 2.309 4.027 ( 0.951 1.314 1.860) 2.468 4.090 ( -1.688 -1.755 2.139) 3.241 4.171 ( 3.652 5.816 0.845) 6.919 4.242 ( 6.460 5.611 -1.314) 8.657 4.298 ( 6.472 -6.998 0.571) 9.549 4.423 ( 6.191 -9.906 -3.994) 12.345 4.689 ( 10.014 7.604 -0.403) 12.581 4.751 ( 0.325 3.459 -4.375) 5.587 4.835 ( 7.877 -0.821 -2.099) 8.193 4.912 ( 3.082 -3.313 -4.607) 6.458 5.054 ( 3.063 6.743 -1.358) 7.530 5.160 ( 0.896 -2.016 -3.285) 3.957 5.332 ( -8.853 3.033 3.163) 9.878 5.483 ( -2.968 -12.188 2.398) 12.771 5.637 ( -2.236 -0.555 -1.210) 2.602 5.658 ( -2.845 -2.515 0.581) 3.841 5.774 ( -0.751 2.200 -4.361) 4.942 5.801 ( -3.018 0.453 -4.203) 5.194 5.949 ( -4.057 3.466 1.564) 5.560 6.007 ( -1.085 3.531 2.681) 4.564 6.026 ( -5.109 1.003 -3.207) 6.115 6.035 ( -2.952 -2.622 1.079) 4.093 6.089 ( -5.664 -1.293 -2.619) 6.372 6.127 ( -0.727 3.061 -0.617) 3.207 6.158 ( -1.946 4.004 -1.025) 4.568 6.344 ( 0.350 -8.855 -1.622) 9.009 6.692 ( -0.752 5.666 -6.200) 8.433 6.719 ( -0.389 3.147 -4.863) 5.805 6.798 ( 0.300 -0.071 1.328) 1.363 6.842 ( -4.446 -4.778 -1.498) 6.696 6.996 ( 3.356 0.427 2.055) 3.958 7.029 ( 2.093 -2.608 2.802) 4.363 7.262 ( -3.533 5.796 3.650) 7.707 7.381 ( -4.878 -5.109 2.070) 7.361 7.456 ( -2.923 4.359 5.213) 7.398 7.511 ( -7.151 -0.120 7.578) 10.420 7.795 ( 0.899 -2.878 4.874) 5.731 7.802 ( 4.918 -4.779 -0.387) 6.868 7.896 ( -1.054 3.854 3.210) 5.125 7.993 ( 2.194 -4.939 2.684) 6.034 8.191 ( 4.509 8.771 -2.882) 10.274 8.339 ( 5.882 0.769 -2.955) 6.627 8.399 ( 5.435 0.694 -0.234) 5.484 8.546 ( 0.401 -10.511 1.322) 10.601 8.949 ( 0.219 7.713 -3.067) 8.303 9.101 ( 3.329 -7.261 -4.466) 9.152 9.323 ( -4.346 1.834 -0.415) 4.735 9.391 ( -4.605 -4.415 -0.827) 6.433 9.567 ( -2.490 5.045 -0.206) 5.629 9.629 ( -4.179 1.006 1.365) 4.510 9.704 ( -5.801 0.025 0.438) 5.818 9.763 ( -4.050 -3.991 -0.163) 5.688 9.886 ( -0.266 5.880 2.772) 6.506 9.987 ( 0.157 0.487 2.372) 2.426 10.030 ( 1.157 1.665 4.944) 5.344 10.083 ( 1.824 -5.176 4.840) 7.317 10.562 ( 4.480 9.105 1.113) 10.208 10.683 ( 9.191 -3.496 3.889) 10.574 10.845 ( 1.239 6.529 -2.099) 6.969 10.944 ( -3.046 -2.038 -4.772) 6.017 11.013 ( 0.356 0.094 -0.857) 0.933 11.108 ( 2.981 -6.491 -3.833) 8.107 11.246 ( 0.334 6.333 1.534) 6.525 11.332 ( -0.415 -2.335 1.108) 2.618 11.393 ( 0.619 2.988 0.511) 3.094 11.438 ( 2.219 -0.856 0.695) 2.477 11.583 ( 0.059 1.435 5.467) 5.652 11.633 ( -0.021 -3.593 8.442) 9.174 11.937 ( 4.207 2.380 -1.378) 5.026 12.027 ( -5.100 -6.266 -0.857) 8.125 12.434 ( 3.953 2.757 -1.850) 5.162 12.464 ( 1.585 -0.391 -1.169) 2.008 12.488 ( 1.495 -0.139 0.018) 1.502 12.529 ( 1.780 -3.256 1.077) 3.864 12.710 ( 0.743 5.162 -1.027) 5.316 12.793 ( 1.364 -2.768 -1.089) 3.272 13.498 ( 5.564 1.171 7.522) 9.429 13.525 ( 4.507 -1.344 7.567) 8.910 13.895 ( 22.708 3.186 -3.535) 23.201 13.971 ( 23.547 -3.884 -4.639) 24.312 14.411 ( 1.125 0.984 -0.042) 1.495 14.431 ( 0.556 -0.701 -2.564) 2.716 14.484 ( 0.467 1.724 -3.756) 4.159 14.521 ( 0.487 -1.816 -5.852) 6.147 15.448 ( 21.206 10.409 -1.888) 23.698 15.673 ( 3.569 -10.341 0.652) 10.959 16.029 ( -4.934 0.902 0.412) 5.033 16.041 ( -3.801 0.011 -1.565) 4.110 16.454 ( -24.414 0.944 -4.372) 24.820 16.481 ( -12.944 -1.534 -7.639) 15.109 17.043 ( -17.506 2.609 0.791) 17.717 17.103 ( -17.407 -2.898 0.729) 17.662 17.677 ( -8.076 4.371 -6.415) 11.202 17.767 ( -7.131 -2.962 -8.744) 11.665 17.921 ( -9.559 0.915 0.314) 9.608 17.987 ( -9.518 -5.797 -2.330) 11.385 ======================= Grid point 39 (19/50) ======================= q-point: ( 0.33 0.33 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 122 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.481 ( 12.040 15.872 1.455) 19.974 1.648 ( 8.329 1.845 4.973) 9.875 1.804 ( 13.172 -0.711 12.288) 18.028 1.910 ( 9.506 -12.948 2.885) 16.320 2.093 ( 16.073 6.518 5.990) 18.350 2.230 ( 10.552 -0.633 6.789) 12.563 2.264 ( 12.964 0.803 4.667) 13.802 2.373 ( 6.831 -5.702 4.683) 10.055 2.698 ( 22.805 8.732 1.854) 24.490 2.873 ( 4.267 1.797 2.511) 5.267 2.890 ( 15.119 -9.337 -0.492) 17.776 2.977 ( -0.276 -6.659 1.359) 6.802 3.227 ( -2.652 4.608 -2.789) 6.004 3.303 ( -3.828 0.140 -1.774) 4.222 3.354 ( -6.119 2.018 0.929) 6.510 3.374 ( 3.230 3.923 3.047) 5.925 3.420 ( -2.324 -2.338 1.102) 3.476 3.525 ( -3.216 -5.846 3.658) 7.609 3.766 ( -4.430 1.171 -0.314) 4.593 3.813 ( 7.394 -1.868 -2.287) 7.962 3.840 ( -2.606 -2.773 -1.378) 4.048 3.844 ( -3.774 -2.672 -4.093) 6.175 3.984 ( -0.266 3.590 2.043) 4.140 4.043 ( -0.194 -2.830 4.288) 5.141 4.100 ( 2.653 2.834 -1.966) 4.351 4.129 ( 7.984 0.982 0.688) 8.074 4.348 ( 6.790 8.561 -1.156) 10.988 4.483 ( 16.224 -0.151 -1.689) 16.312 4.514 ( 15.482 -0.310 -1.312) 15.541 4.581 ( 11.844 -6.761 -0.522) 13.648 4.729 ( 2.765 4.585 -6.160) 8.162 4.825 ( -0.240 -4.086 -5.978) 7.245 4.932 ( 1.481 4.103 -0.212) 4.367 4.996 ( 1.943 -2.502 -1.194) 3.385 5.188 ( 5.848 2.923 -2.227) 6.906 5.219 ( 7.567 1.716 -3.199) 8.393 5.241 ( 1.681 6.784 -1.863) 7.233 5.442 ( -1.277 -9.276 -3.696) 10.067 5.579 ( -2.789 -2.144 1.479) 3.816 5.604 ( -2.298 -3.567 1.415) 4.473 5.698 ( -7.035 3.207 -2.248) 8.052 5.753 ( -3.337 -2.381 -2.744) 4.933 5.818 ( -7.964 1.578 -2.700) 8.556 5.872 ( -9.620 -1.138 -0.054) 9.687 5.909 ( -5.575 0.578 -2.243) 6.037 5.960 ( -3.569 -3.116 -0.355) 4.751 6.041 ( -0.126 4.245 2.332) 4.845 6.112 ( -1.131 -1.703 0.791) 2.192 6.157 ( 1.557 9.412 3.161) 10.050 6.342 ( -0.144 -8.201 0.913) 8.253 6.602 ( -7.883 2.901 -3.975) 9.293 6.669 ( -8.616 -3.582 -1.969) 9.536 6.784 ( 3.720 4.423 0.965) 5.859 6.846 ( 4.386 -1.517 2.362) 5.207 7.061 ( 2.511 -0.491 1.579) 3.007 7.069 ( 1.509 -0.986 1.552) 2.379 7.185 ( -3.695 5.073 3.822) 7.348 7.279 ( -5.067 -3.712 3.733) 7.307 7.359 ( -5.990 2.185 6.118) 8.837 7.383 ( -5.689 0.018 6.435) 8.589 7.825 ( 1.015 1.348 -0.454) 1.747 7.879 ( 1.682 1.651 -0.593) 2.431 7.911 ( 2.794 -3.099 -1.612) 4.473 8.032 ( 1.186 -8.950 2.538) 9.378 8.324 ( 8.861 7.595 -1.133) 11.726 8.468 ( 6.757 -2.172 -3.946) 8.121 8.515 ( 6.232 1.601 -1.094) 6.527 8.602 ( 5.070 -3.526 -0.450) 6.192 8.947 ( -0.749 10.274 -2.986) 10.726 9.123 ( -2.100 -6.498 -4.163) 7.998 9.189 ( -8.498 0.879 -0.366) 8.551 9.246 ( -8.994 -4.465 0.226) 10.044 9.520 ( -1.432 6.025 1.873) 6.470 9.589 ( -0.382 -0.297 0.982) 1.095 9.619 ( -2.519 -2.330 1.140) 3.615 9.679 ( -3.737 -6.702 -0.188) 7.676 9.903 ( 1.803 9.719 1.863) 10.059 10.008 ( 0.952 3.682 2.363) 4.477 10.075 ( 2.950 1.024 3.570) 4.743 10.126 ( 2.056 -6.384 3.407) 7.523 10.642 ( 4.156 8.850 0.774) 9.808 10.820 ( 3.159 -6.925 0.785) 7.652 10.869 ( -0.275 0.848 -0.665) 1.112 10.899 ( 0.791 -1.785 0.117) 1.956 10.992 ( -1.183 2.057 2.416) 3.387 11.103 ( -1.658 -5.343 -1.910) 5.911 11.198 ( -4.122 3.776 4.075) 6.918 11.288 ( -3.862 -4.024 3.798) 6.748 11.400 ( -0.441 7.568 2.400) 7.952 11.457 ( -0.132 1.422 2.335) 2.737 11.578 ( -0.707 -2.370 3.776) 4.514 11.623 ( -0.664 -6.328 5.774) 8.592 12.045 ( 6.357 2.204 -0.867) 6.784 12.101 ( 9.728 -2.736 -0.751) 10.133 12.434 ( -3.218 2.000 1.070) 3.937 12.503 ( -1.218 -4.086 0.518) 4.295 12.527 ( 4.435 3.946 -2.275) 6.357 12.592 ( 4.390 -2.041 -1.993) 5.236 12.716 ( -0.255 5.303 -0.549) 5.337 12.805 ( -0.311 -3.156 -1.426) 3.477 13.680 ( 12.014 0.824 1.711) 12.163 13.699 ( 11.874 -0.857 2.330) 12.130 14.349 ( 12.708 1.146 -3.416) 13.209 14.375 ( 2.399 -0.982 -2.855) 3.857 14.415 ( 2.919 0.845 -0.237) 3.049 14.445 ( 10.028 -1.361 -3.025) 10.562 14.510 ( 5.009 3.208 -1.748) 6.200 14.580 ( 7.800 -3.429 -1.251) 8.612 15.603 ( -5.628 1.709 3.167) 6.681 15.667 ( 0.248 -4.979 0.846) 5.056 15.962 ( -0.646 1.926 -1.470) 2.507 16.000 ( -0.041 -1.478 -1.758) 2.297 16.114 ( -6.069 10.932 -3.702) 13.041 16.296 ( -6.639 -6.417 -5.728) 10.865 16.624 ( -23.748 2.878 0.122) 23.922 16.690 ( -23.196 -3.145 -0.345) 23.411 17.512 ( -7.321 5.563 -6.817) 11.446 17.613 ( -7.377 -1.871 -8.119) 11.128 17.715 ( -10.140 -0.167 -2.487) 10.442 17.776 ( -10.526 -5.131 -3.552) 12.237 ======================= Grid point 40 (20/50) ======================= q-point: ( 0.44 0.33 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 122 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.654 ( 5.467 17.201 1.363) 18.100 1.713 ( -0.482 13.920 2.466) 14.145 1.994 ( 5.791 -11.251 5.152) 13.662 2.035 ( 1.972 -15.603 1.187) 15.772 2.454 ( 16.673 2.447 2.262) 17.003 2.493 ( 14.406 1.278 3.980) 15.000 2.548 ( 13.666 -3.044 3.420) 14.412 2.602 ( 14.712 -5.731 4.940) 16.543 2.789 ( -5.182 2.011 2.275) 6.006 2.858 ( -9.167 -3.419 3.363) 10.346 2.923 ( -12.583 1.486 1.299) 12.736 2.973 ( -12.910 -2.073 2.745) 13.361 3.147 ( -0.326 9.131 -2.457) 9.462 3.165 ( -0.256 9.207 -1.617) 9.351 3.334 ( 7.134 -3.774 0.050) 8.071 3.367 ( 1.203 -7.031 -0.796) 7.177 3.460 ( 5.272 2.073 2.855) 6.343 3.582 ( 3.216 -8.171 2.823) 9.223 3.649 ( -8.439 -0.156 1.822) 8.635 3.676 ( -6.905 -2.173 1.465) 7.386 3.882 ( 2.798 2.862 -1.898) 4.430 3.926 ( -0.105 2.747 -1.311) 3.046 3.967 ( 1.074 -1.240 0.715) 1.789 4.011 ( -2.142 -1.590 1.579) 3.100 4.250 ( 10.217 3.209 -1.511) 10.815 4.340 ( 12.470 -4.043 -1.020) 13.148 4.402 ( -2.659 8.026 -1.285) 8.552 4.543 ( -5.008 -4.164 -3.494) 7.391 4.746 ( 3.281 3.023 -2.764) 5.248 4.801 ( -0.255 0.862 -3.092) 3.220 4.865 ( 4.092 0.844 -3.854) 5.684 4.953 ( 8.763 1.600 -1.314) 9.004 4.975 ( 2.682 -5.434 -2.343) 6.497 5.034 ( 20.832 -2.548 -1.191) 21.021 5.259 ( -1.357 4.969 -4.824) 7.057 5.265 ( -4.401 3.223 -2.393) 5.957 5.364 ( 0.497 6.299 -5.312) 8.255 5.406 ( 2.533 1.785 -5.114) 5.980 5.508 ( -9.772 -3.313 -3.269) 10.824 5.552 ( -3.266 -6.955 -2.743) 8.159 5.574 ( -0.350 0.473 -0.109) 0.599 5.638 ( -2.170 -4.902 1.571) 5.587 5.658 ( -6.180 -0.321 1.483) 6.364 5.696 ( -7.053 -3.105 0.960) 7.766 5.902 ( 4.104 4.378 -1.685) 6.232 5.963 ( 2.519 0.614 -0.041) 2.593 6.019 ( -1.408 1.183 0.816) 2.012 6.075 ( -3.116 -2.250 1.077) 3.992 6.224 ( 5.897 6.652 3.607) 9.594 6.357 ( 1.161 -5.029 1.949) 5.517 6.410 ( -8.916 1.359 0.779) 9.053 6.482 ( -8.468 -4.536 1.722) 9.759 6.898 ( 6.698 4.339 1.216) 8.073 6.962 ( 6.601 -1.706 2.992) 7.446 7.027 ( -5.478 3.381 1.398) 6.588 7.075 ( -2.994 -1.432 2.400) 4.095 7.171 ( 2.385 1.602 3.421) 4.467 7.211 ( 0.160 -1.843 4.533) 4.896 7.247 ( -4.763 1.296 3.590) 6.104 7.276 ( -4.771 -1.291 6.311) 8.016 7.845 ( 1.305 4.285 -1.135) 4.621 7.875 ( -1.336 4.709 -1.155) 5.030 7.978 ( 3.119 -8.440 -1.836) 9.184 8.027 ( -1.614 -9.904 0.079) 10.035 8.521 ( 9.352 6.080 -1.204) 11.219 8.600 ( 3.883 4.824 -3.698) 7.213 8.636 ( 5.572 -1.711 -2.172) 6.220 8.692 ( 1.779 -1.116 -3.423) 4.016 8.920 ( -0.737 8.578 -1.388) 8.721 9.001 ( -8.696 1.211 1.089) 8.848 9.042 ( -2.998 -2.389 0.124) 3.835 9.087 ( -6.161 -4.863 -0.393) 7.859 9.532 ( 1.977 1.270 1.156) 2.619 9.573 ( -1.827 -1.863 1.193) 2.869 9.598 ( 0.581 -3.145 0.530) 3.242 9.623 ( -1.912 -5.549 0.199) 5.872 9.951 ( 2.781 11.319 1.709) 11.780 10.001 ( -1.730 9.631 2.160) 10.021 10.132 ( 2.263 -3.915 1.334) 4.714 10.153 ( 0.304 -6.053 1.616) 6.273 10.735 ( 4.697 4.584 1.961) 6.850 10.807 ( -2.276 0.883 0.214) 2.451 10.875 ( 0.469 -5.069 1.194) 5.229 10.899 ( -1.551 -5.952 1.369) 6.301 11.022 ( 3.456 1.110 3.925) 5.346 11.085 ( -0.696 0.385 3.007) 3.110 11.116 ( -1.934 -2.024 3.438) 4.433 11.184 ( -5.637 -4.922 4.547) 8.756 11.403 ( 1.116 9.608 2.287) 9.939 11.436 ( -1.792 7.750 3.283) 8.606 11.582 ( 1.120 -6.343 1.683) 6.658 11.607 ( -1.076 -7.358 3.113) 8.061 12.199 ( 7.853 4.369 0.287) 8.991 12.290 ( 8.547 -3.979 0.736) 9.457 12.340 ( -5.970 3.830 1.184) 7.191 12.433 ( -5.514 -4.670 1.505) 7.381 12.616 ( 4.105 4.620 -2.983) 6.862 12.671 ( 0.678 3.467 -3.167) 4.745 12.707 ( 1.678 -1.002 -2.371) 3.073 12.774 ( -2.828 -3.292 -2.774) 5.151 13.955 ( 14.503 0.499 -0.727) 14.530 13.966 ( 14.036 -0.573 -0.497) 14.057 14.223 ( -11.210 0.376 -0.833) 11.247 14.234 ( -11.786 -0.681 -0.866) 11.838 14.573 ( 7.018 2.346 -0.835) 7.447 14.614 ( 6.667 -0.954 -1.584) 6.919 14.678 ( 1.636 1.323 0.825) 2.260 14.726 ( -0.130 -2.529 0.681) 2.623 15.658 ( 14.461 3.027 0.883) 14.801 15.747 ( 14.162 -5.737 -1.020) 15.314 15.998 ( 1.703 1.694 -0.898) 2.565 16.031 ( -1.942 -0.824 -1.277) 2.466 16.086 ( -0.752 4.857 -1.818) 5.240 16.130 ( -19.445 3.529 -0.784) 19.778 16.173 ( -6.334 -3.032 -2.525) 7.462 16.206 ( -22.778 -3.482 -1.660) 23.102 17.424 ( -0.649 6.121 -5.973) 8.577 17.484 ( -5.618 4.316 -4.749) 8.529 17.566 ( -2.964 -5.144 -7.125) 9.275 17.603 ( -5.915 -5.219 -5.577) 9.660 ======================= Grid point 54 (21/50) ======================= q-point: ( 0.00 0.00 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 50 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.846 ( 0.000 0.000 17.895) 17.895 1.243 ( 0.000 0.000 27.821) 27.821 1.544 ( 0.000 0.000 19.625) 19.625 1.700 ( 0.000 0.000 19.167) 19.167 1.860 ( 0.000 0.000 -0.769) 0.769 1.940 ( 0.000 0.000 13.972) 13.972 1.985 ( 0.000 0.000 40.987) 40.987 2.044 ( 0.000 0.000 14.861) 14.861 2.132 ( 0.000 0.000 -3.468) 3.468 2.481 ( 0.000 0.000 -7.806) 7.806 2.651 ( 0.000 0.000 14.928) 14.928 2.934 ( 0.000 0.000 -1.591) 1.591 3.027 ( 0.000 0.000 0.506) 0.506 3.094 ( 0.000 0.000 9.529) 9.529 3.115 ( 0.000 0.000 6.973) 6.973 3.400 ( 0.000 0.000 4.847) 4.847 3.416 ( 0.000 0.000 0.791) 0.791 3.446 ( 0.000 0.000 13.651) 13.651 3.541 ( 0.000 0.000 1.959) 1.959 3.637 ( 0.000 0.000 -11.380) 11.380 3.812 ( 0.000 0.000 -7.091) 7.091 3.835 ( 0.000 0.000 -8.551) 8.551 3.898 ( 0.000 0.000 -0.845) 0.845 3.900 ( 0.000 0.000 -4.265) 4.265 3.983 ( 0.000 0.000 -8.149) 8.149 4.144 ( 0.000 0.000 -7.776) 7.776 4.230 ( 0.000 0.000 0.991) 0.991 4.247 ( 0.000 0.000 0.622) 0.622 4.267 ( 0.000 0.000 6.149) 6.149 4.282 ( 0.000 0.000 10.014) 10.014 4.351 ( 0.000 0.000 2.525) 2.525 4.708 ( 0.000 0.000 -1.992) 1.992 4.711 ( 0.000 0.000 -2.910) 2.910 4.811 ( 0.000 0.000 -6.036) 6.036 4.915 ( 0.000 0.000 3.189) 3.189 5.268 ( 0.000 0.000 5.115) 5.115 5.509 ( 0.000 0.000 -8.328) 8.328 5.590 ( 0.000 0.000 -12.186) 12.186 5.620 ( 0.000 0.000 -2.471) 2.471 5.735 ( 0.000 0.000 -1.530) 1.530 5.735 ( 0.000 0.000 -4.906) 4.906 5.819 ( 0.000 0.000 -4.385) 4.385 5.870 ( 0.000 0.000 -1.393) 1.393 5.985 ( 0.000 0.000 -13.610) 13.610 6.046 ( 0.000 0.000 6.219) 6.219 6.091 ( 0.000 0.000 -0.177) 0.177 6.117 ( 0.000 0.000 10.331) 10.331 6.133 ( 0.000 0.000 -5.485) 5.485 6.223 ( 0.000 0.000 2.212) 2.212 6.343 ( 0.000 0.000 3.404) 3.404 6.444 ( 0.000 0.000 -3.445) 3.445 6.693 ( 0.000 0.000 0.393) 0.393 6.783 ( 0.000 0.000 -2.231) 2.231 6.821 ( 0.000 0.000 0.836) 0.836 6.925 ( 0.000 0.000 2.886) 2.886 7.073 ( 0.000 0.000 -4.105) 4.105 7.267 ( 0.000 0.000 -2.123) 2.123 7.327 ( 0.000 0.000 -0.418) 0.418 7.490 ( 0.000 0.000 -4.845) 4.845 7.750 ( 0.000 0.000 -3.616) 3.616 7.811 ( 0.000 0.000 3.766) 3.766 7.884 ( 0.000 0.000 -0.008) 0.008 8.106 ( 0.000 0.000 -0.242) 0.242 8.152 ( 0.000 0.000 13.585) 13.585 8.189 ( 0.000 0.000 2.821) 2.821 8.204 ( 0.000 0.000 -2.196) 2.196 8.637 ( 0.000 0.000 0.858) 0.858 8.641 ( 0.000 0.000 -6.396) 6.396 8.925 ( 0.000 0.000 2.732) 2.732 8.981 ( 0.000 0.000 -2.830) 2.830 9.342 ( 0.000 0.000 -0.925) 0.925 9.483 ( 0.000 0.000 -2.625) 2.625 9.485 ( 0.000 0.000 -2.585) 2.585 9.733 ( 0.000 0.000 -8.619) 8.619 9.806 ( 0.000 0.000 2.476) 2.476 9.821 ( 0.000 0.000 0.664) 0.664 10.116 ( 0.000 0.000 9.409) 9.409 10.121 ( 0.000 0.000 1.196) 1.196 10.123 ( 0.000 0.000 3.990) 3.990 10.233 ( 0.000 0.000 3.464) 3.464 10.425 ( 0.000 0.000 5.714) 5.714 10.545 ( 0.000 0.000 9.065) 9.065 10.565 ( 0.000 0.000 -4.070) 4.070 10.607 ( 0.000 0.000 1.751) 1.751 10.689 ( 0.000 0.000 5.688) 5.688 11.001 ( 0.000 0.000 -2.685) 2.685 11.038 ( 0.000 0.000 -3.414) 3.414 11.300 ( 0.000 0.000 -4.680) 4.680 11.313 ( 0.000 0.000 -1.222) 1.222 11.485 ( 0.000 0.000 1.940) 1.940 11.742 ( 0.000 0.000 5.339) 5.339 11.894 ( 0.000 0.000 -5.637) 5.637 11.942 ( 0.000 0.000 14.369) 14.369 12.232 ( 0.000 0.000 -6.545) 6.545 12.239 ( 0.000 0.000 -8.131) 8.131 12.304 ( 0.000 0.000 -0.092) 0.092 12.455 ( 0.000 0.000 -1.778) 1.778 12.472 ( 0.000 0.000 -2.107) 2.107 12.580 ( 0.000 0.000 2.723) 2.723 12.810 ( 0.000 0.000 0.713) 0.713 13.276 ( 0.000 0.000 -4.856) 4.856 13.292 ( 0.000 0.000 -6.534) 6.534 13.595 ( 0.000 0.000 -8.904) 8.904 13.634 ( 0.000 0.000 -9.102) 9.102 14.265 ( 0.000 0.000 -9.619) 9.619 14.284 ( 0.000 0.000 2.284) 2.284 14.330 ( 0.000 0.000 -10.953) 10.953 14.352 ( 0.000 0.000 -0.159) 0.159 14.827 ( 0.000 0.000 16.598) 16.598 15.488 ( 0.000 0.000 -1.008) 1.008 16.169 ( 0.000 0.000 6.400) 6.400 16.271 ( 0.000 0.000 6.890) 6.890 16.660 ( 0.000 0.000 1.201) 1.201 16.972 ( 0.000 0.000 -11.198) 11.198 17.456 ( 0.000 0.000 2.670) 2.670 17.546 ( 0.000 0.000 2.263) 2.263 17.743 ( 0.000 0.000 -3.288) 3.288 17.827 ( 0.000 0.000 -2.661) 2.661 18.156 ( 0.000 0.000 -1.875) 1.875 18.160 ( 0.000 0.000 -0.170) 0.170 ======================= Grid point 55 (22/50) ======================= q-point: ( 0.11 0.00 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 82 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.941 ( 8.837 0.000 14.944) 17.361 1.482 ( 20.725 0.000 23.070) 31.012 1.653 ( 10.052 0.000 17.586) 20.256 1.826 ( -3.352 0.000 1.304) 3.597 1.841 ( 9.739 0.000 16.686) 19.320 1.973 ( -1.041 0.000 8.430) 8.494 2.012 ( 9.102 0.000 14.780) 17.358 2.063 ( 8.227 0.000 35.819) 36.751 2.302 ( 11.256 0.000 1.676) 11.380 2.468 ( 0.012 0.000 -2.187) 2.187 2.808 ( 13.227 0.000 5.704) 14.405 2.916 ( -1.398 0.000 -0.070) 1.400 3.099 ( 6.279 0.000 1.059) 6.368 3.121 ( 1.035 0.000 1.315) 1.673 3.177 ( 6.800 0.000 12.975) 14.649 3.408 ( -3.709 0.000 12.552) 13.088 3.449 ( 4.259 0.000 -0.616) 4.303 3.535 ( 10.884 0.000 4.407) 11.742 3.558 ( 2.752 0.000 2.255) 3.558 3.628 ( -0.514 0.000 -11.286) 11.297 3.810 ( -1.657 0.000 -7.893) 8.065 3.820 ( 0.846 0.000 -6.440) 6.495 3.912 ( 1.654 0.000 -1.945) 2.554 3.968 ( 6.110 0.000 -3.860) 7.227 3.983 ( 0.035 0.000 -5.329) 5.329 4.083 ( -5.630 0.000 -4.911) 7.471 4.202 ( -1.670 0.000 3.841) 4.188 4.258 ( -0.072 0.000 2.085) 2.086 4.311 ( 4.545 0.000 -1.482) 4.780 4.390 ( 3.923 0.000 3.770) 5.441 4.401 ( 7.629 0.000 7.896) 10.979 4.622 ( -4.711 0.000 -3.599) 5.928 4.734 ( 3.155 0.000 -1.263) 3.399 4.839 ( 1.090 0.000 -5.623) 5.728 4.924 ( 0.722 0.000 2.975) 3.062 5.222 ( -3.589 0.000 3.617) 5.095 5.469 ( -9.736 0.000 -10.480) 14.305 5.525 ( 0.546 0.000 -8.128) 8.146 5.602 ( -5.522 0.000 -6.822) 8.776 5.685 ( 0.104 0.000 -6.003) 6.004 5.770 ( 2.430 0.000 1.537) 2.875 5.841 ( 1.168 0.000 -3.829) 4.003 5.903 ( 3.052 0.000 -0.393) 3.077 5.971 ( -3.287 0.000 -12.570) 12.993 6.006 ( -4.127 0.000 7.679) 8.718 6.087 ( -0.356 0.000 -0.269) 0.446 6.100 ( -1.102 0.000 9.639) 9.702 6.143 ( 1.162 0.000 -4.306) 4.460 6.251 ( -7.239 0.000 0.440) 7.253 6.300 ( 6.230 0.000 0.244) 6.235 6.462 ( 1.423 0.000 -3.607) 3.878 6.594 ( -2.417 0.000 -2.901) 3.776 6.820 ( 0.075 0.000 1.224) 1.227 6.936 ( 0.704 0.000 2.118) 2.232 6.986 ( 10.106 0.000 0.190) 10.108 7.041 ( -2.421 0.000 -2.451) 3.446 7.270 ( 0.338 0.000 0.018) 0.339 7.349 ( 2.246 0.000 -0.249) 2.260 7.479 ( -1.351 0.000 -3.568) 3.815 7.754 ( -0.003 0.000 -2.469) 2.469 7.837 ( 3.532 0.000 2.386) 4.263 7.866 ( -1.802 0.000 0.185) 1.812 7.981 ( -8.485 0.000 4.352) 9.536 8.169 ( 0.200 0.000 0.418) 0.464 8.215 ( 2.963 0.000 7.419) 7.989 8.273 ( 4.464 0.000 -1.369) 4.669 8.391 ( -16.535 0.000 10.091) 19.371 8.625 ( -1.230 0.000 -6.675) 6.787 8.912 ( -5.249 0.000 -1.756) 5.535 8.994 ( 3.923 0.000 -2.843) 4.845 9.326 ( -2.072 0.000 -2.006) 2.884 9.427 ( -2.421 0.000 -2.034) 3.162 9.533 ( 2.075 0.000 -1.741) 2.709 9.681 ( -4.035 0.000 -6.634) 7.764 9.775 ( -3.858 0.000 2.226) 4.454 9.795 ( -1.274 0.000 1.538) 1.997 10.071 ( -2.362 0.000 4.227) 4.842 10.083 ( -3.456 0.000 4.827) 5.937 10.128 ( -0.033 0.000 7.696) 7.696 10.233 ( 0.463 0.000 5.500) 5.520 10.423 ( 1.665 0.000 3.266) 3.666 10.643 ( 8.632 0.000 8.131) 11.859 10.751 ( 5.606 0.000 5.858) 8.108 10.788 ( 12.524 0.000 -4.319) 13.248 10.815 ( 15.435 0.000 -3.926) 15.926 11.011 ( 2.388 0.000 -2.280) 3.302 11.047 ( 0.869 0.000 -2.880) 3.008 11.309 ( 1.571 0.000 -3.472) 3.811 11.320 ( 0.882 0.000 -1.105) 1.414 11.475 ( -0.650 0.000 2.343) 2.432 11.713 ( -2.684 0.000 4.885) 5.574 11.834 ( -3.081 0.000 -3.297) 4.513 11.931 ( -1.098 0.000 13.036) 13.082 12.216 ( -4.424 0.000 -6.301) 7.699 12.256 ( 2.522 0.000 -4.896) 5.507 12.363 ( 4.408 0.000 -1.448) 4.640 12.430 ( 2.232 0.000 -1.187) 2.528 12.557 ( 3.888 0.000 -2.617) 4.687 12.566 ( -0.585 0.000 2.180) 2.257 12.799 ( -0.566 0.000 -0.255) 0.621 13.409 ( 13.147 0.000 -4.799) 13.996 13.463 ( 15.765 0.000 -6.783) 17.162 13.607 ( -0.563 0.000 -1.648) 1.741 13.640 ( 1.954 0.000 -3.195) 3.745 14.268 ( 0.609 0.000 -8.700) 8.721 14.328 ( 3.829 0.000 -0.789) 3.910 14.339 ( 1.025 0.000 -10.114) 10.166 14.383 ( 2.776 0.000 0.063) 2.777 14.965 ( 13.110 0.000 10.408) 16.739 15.627 ( 11.415 0.000 -9.666) 14.957 16.096 ( -7.070 0.000 6.295) 9.466 16.208 ( -5.812 0.000 5.834) 8.235 16.547 ( -9.928 0.000 -0.089) 9.929 16.804 ( -16.107 0.000 -8.693) 18.303 17.341 ( -10.962 0.000 2.493) 11.242 17.445 ( -9.970 0.000 1.893) 10.148 17.683 ( -5.756 0.000 -3.738) 6.863 17.775 ( -5.295 0.000 -4.059) 6.672 18.076 ( -6.859 0.000 -1.054) 6.939 18.116 ( -5.437 0.000 -2.652) 6.049 ======================= Grid point 56 (23/50) ======================= q-point: ( 0.22 0.00 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 82 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.162 ( 12.054 0.000 9.451) 15.317 1.744 ( -3.139 0.000 4.677) 5.633 1.899 ( 16.347 0.000 21.399) 26.928 1.913 ( 13.581 0.000 10.909) 17.420 2.005 ( 8.925 0.000 10.142) 13.510 2.054 ( 9.141 0.000 7.462) 11.800 2.296 ( 18.745 0.000 22.371) 29.186 2.343 ( 16.886 0.000 15.726) 23.075 2.408 ( 1.880 0.000 7.634) 7.862 2.624 ( 12.175 0.000 -10.082) 15.808 2.890 ( -0.785 0.000 -0.444) 0.902 3.054 ( 7.546 0.000 0.266) 7.550 3.153 ( 2.391 0.000 0.905) 2.557 3.243 ( 7.924 0.000 3.966) 8.861 3.315 ( -3.851 0.000 8.116) 8.983 3.324 ( 6.794 0.000 8.273) 10.705 3.506 ( -3.667 0.000 -2.194) 4.273 3.606 ( 3.364 0.000 -4.348) 5.498 3.695 ( 9.608 0.000 -1.026) 9.663 3.792 ( 1.564 0.000 -3.924) 4.224 3.797 ( 8.689 0.000 -9.106) 12.586 3.857 ( 3.252 0.000 1.826) 3.730 3.915 ( -5.573 0.000 -2.808) 6.240 3.979 ( -0.352 0.000 -2.617) 2.640 4.048 ( 9.689 0.000 1.499) 9.804 4.095 ( -3.066 0.000 7.399) 8.009 4.145 ( 4.329 0.000 -1.945) 4.745 4.258 ( 2.292 0.000 1.190) 2.583 4.405 ( -4.327 0.000 -0.926) 4.426 4.428 ( 6.816 0.000 -5.817) 8.961 4.501 ( 6.644 0.000 3.966) 7.738 4.722 ( 10.496 0.000 2.001) 10.685 4.848 ( 7.675 0.000 -2.392) 8.040 4.849 ( 1.022 0.000 -5.260) 5.359 4.934 ( -0.001 0.000 2.070) 2.070 5.150 ( -3.145 0.000 0.318) 3.161 5.263 ( -8.947 0.000 -5.717) 10.618 5.468 ( -6.737 0.000 -10.201) 12.225 5.514 ( -1.963 0.000 -8.027) 8.264 5.663 ( -2.271 0.000 -5.284) 5.751 5.832 ( 1.817 0.000 0.869) 2.014 5.850 ( -0.610 0.000 -1.474) 1.595 5.858 ( -7.155 0.000 -9.322) 11.751 5.901 ( -5.409 0.000 5.217) 7.515 5.963 ( 1.501 0.000 -2.211) 2.672 6.056 ( -1.542 0.000 0.520) 1.627 6.076 ( -3.688 0.000 4.494) 5.814 6.105 ( -4.576 0.000 2.058) 5.017 6.182 ( 2.036 0.000 1.078) 2.304 6.404 ( 3.474 0.000 -0.544) 3.517 6.483 ( 0.087 0.000 -5.450) 5.450 6.605 ( 3.215 0.000 -0.987) 3.363 6.828 ( -0.222 0.000 0.459) 0.510 6.898 ( -3.186 0.000 1.109) 3.374 7.053 ( 3.734 0.000 2.378) 4.427 7.098 ( 1.490 0.000 -1.232) 1.933 7.270 ( -0.866 0.000 4.381) 4.466 7.414 ( 3.880 0.000 0.204) 3.885 7.429 ( -3.551 0.000 -0.727) 3.625 7.680 ( -8.722 0.000 6.535) 10.898 7.829 ( 0.041 0.000 -1.325) 1.325 7.867 ( -2.053 0.000 -2.264) 3.056 7.979 ( 10.158 0.000 0.086) 10.159 8.108 ( -11.230 0.000 10.265) 15.214 8.209 ( 3.844 0.000 -1.622) 4.172 8.263 ( 1.294 0.000 6.006) 6.144 8.362 ( 4.165 0.000 -3.211) 5.259 8.609 ( -0.159 0.000 -7.208) 7.210 8.805 ( -4.098 0.000 -0.328) 4.111 9.082 ( 4.212 0.000 -4.445) 6.124 9.249 ( -5.149 0.000 -2.525) 5.735 9.375 ( -3.819 0.000 -2.464) 4.545 9.569 ( 1.483 0.000 -0.291) 1.511 9.626 ( -0.348 0.000 -2.935) 2.955 9.669 ( -6.241 0.000 3.454) 7.133 9.764 ( -1.822 0.000 0.968) 2.063 9.986 ( -5.756 0.000 4.591) 7.363 10.072 ( 2.197 0.000 5.630) 6.044 10.105 ( -2.257 0.000 6.659) 7.031 10.248 ( 0.660 0.000 4.138) 4.190 10.496 ( 5.604 0.000 4.888) 7.436 10.832 ( 8.387 0.000 6.108) 10.375 10.876 ( -0.940 0.000 -3.186) 3.321 10.881 ( 7.297 0.000 6.981) 10.098 11.025 ( 4.366 0.000 -4.226) 6.077 11.067 ( 0.885 0.000 -1.220) 1.507 11.130 ( 5.067 0.000 -1.938) 5.425 11.352 ( 2.163 0.000 -0.175) 2.170 11.372 ( 2.149 0.000 -1.108) 2.417 11.498 ( 5.291 0.000 3.725) 6.471 11.648 ( -3.307 0.000 3.574) 4.870 11.870 ( 7.592 0.000 -2.913) 8.132 11.898 ( -2.212 0.000 10.028) 10.269 12.098 ( -5.921 0.000 -0.935) 5.994 12.324 ( 3.894 0.000 -4.328) 5.822 12.431 ( 2.262 0.000 -2.346) 3.259 12.476 ( 0.952 0.000 -1.537) 1.807 12.587 ( 2.430 0.000 0.415) 2.465 12.617 ( 2.022 0.000 -1.232) 2.368 12.796 ( -0.000 0.000 -1.647) 1.647 13.609 ( 1.830 0.000 3.524) 3.971 13.684 ( 2.488 0.000 3.851) 4.584 13.779 ( 22.884 0.000 -4.581) 23.338 13.876 ( 23.855 0.000 -7.678) 25.061 14.306 ( 3.612 0.000 -5.648) 6.704 14.386 ( 4.339 0.000 -7.546) 8.705 14.396 ( 1.912 0.000 -1.151) 2.232 14.440 ( 1.874 0.000 -0.397) 1.915 15.304 ( 19.040 0.000 -0.463) 19.045 15.844 ( 8.630 0.000 -12.141) 14.896 15.902 ( -11.547 0.000 5.825) 12.933 16.069 ( -6.925 0.000 3.313) 7.676 16.333 ( -9.681 0.000 -4.457) 10.658 16.378 ( -24.527 0.000 -3.173) 24.731 17.037 ( -18.877 0.000 1.248) 18.919 17.153 ( -18.797 0.000 0.811) 18.815 17.528 ( -9.223 0.000 -4.471) 10.249 17.624 ( -9.148 0.000 -6.513) 11.230 17.889 ( -11.542 0.000 -2.316) 11.772 17.947 ( -10.951 0.000 -4.432) 11.814 ======================= Grid point 57 (24/50) ======================= q-point: ( 0.33 0.00 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 82 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.386 ( 9.661 0.000 5.776) 11.256 1.692 ( -2.304 0.000 5.203) 5.690 2.117 ( 8.463 0.000 6.976) 10.967 2.177 ( 12.951 0.000 2.789) 13.248 2.221 ( 10.287 0.000 20.164) 22.636 2.318 ( 15.301 0.000 8.778) 17.641 2.495 ( 7.015 0.000 5.147) 8.701 2.639 ( 10.032 0.000 6.754) 12.094 2.649 ( 12.710 0.000 9.334) 15.769 2.799 ( 4.370 0.000 -8.839) 9.860 2.960 ( 10.894 0.000 5.728) 12.308 3.055 ( -5.236 0.000 -1.893) 5.568 3.190 ( -6.078 0.000 3.440) 6.984 3.200 ( 0.200 0.000 -1.406) 1.421 3.352 ( -7.436 0.000 -0.395) 7.446 3.440 ( 3.812 0.000 4.068) 5.575 3.521 ( 14.569 0.000 5.599) 15.608 3.577 ( -7.836 0.000 1.322) 7.946 3.735 ( -0.538 0.000 -6.318) 6.341 3.810 ( 1.210 0.000 -2.449) 2.732 3.870 ( -0.345 0.000 -3.144) 3.162 3.885 ( -8.668 0.000 4.559) 9.794 3.915 ( -4.257 0.000 -2.486) 4.929 4.055 ( 14.103 0.000 1.738) 14.210 4.067 ( 10.351 0.000 -1.254) 10.426 4.236 ( 6.972 0.000 2.197) 7.309 4.254 ( -2.752 0.000 6.261) 6.839 4.382 ( 6.715 0.000 -4.728) 8.212 4.473 ( 14.707 0.000 -1.413) 14.775 4.596 ( 11.014 0.000 -5.259) 12.205 4.670 ( 12.073 0.000 1.370) 12.150 4.780 ( -2.093 0.000 -6.096) 6.446 4.871 ( -3.496 0.000 0.362) 3.515 4.951 ( -0.260 0.000 -8.273) 8.277 5.023 ( 8.738 0.000 -1.623) 8.888 5.140 ( 3.520 0.000 -1.205) 3.721 5.166 ( -0.236 0.000 1.663) 1.679 5.346 ( -5.532 0.000 -10.638) 11.990 5.472 ( -0.828 0.000 -7.240) 7.287 5.609 ( -5.335 0.000 -3.025) 6.133 5.674 ( -6.710 0.000 -8.989) 11.217 5.785 ( -4.052 0.000 5.426) 6.772 5.793 ( -7.862 0.000 -2.587) 8.277 5.817 ( -5.169 0.000 -5.131) 7.284 5.939 ( -6.199 0.000 -0.470) 6.217 5.951 ( -0.614 0.000 -0.368) 0.716 6.075 ( 2.216 0.000 4.183) 4.734 6.110 ( 2.391 0.000 6.836) 7.242 6.205 ( 0.018 0.000 2.816) 2.816 6.448 ( -3.854 0.000 -4.822) 6.172 6.453 ( 2.084 0.000 1.996) 2.885 6.710 ( 6.956 0.000 1.048) 7.035 6.733 ( -6.797 0.000 1.026) 6.874 6.942 ( 5.687 0.000 4.671) 7.360 7.090 ( -1.662 0.000 -0.447) 1.721 7.142 ( 4.616 0.000 3.024) 5.519 7.228 ( -2.770 0.000 4.945) 5.668 7.345 ( -4.572 0.000 1.029) 4.687 7.459 ( -2.067 0.000 2.033) 2.899 7.500 ( -6.464 0.000 7.569) 9.954 7.815 ( -1.589 0.000 -2.660) 3.099 7.904 ( 4.725 0.000 -3.038) 5.617 7.926 ( -6.285 0.000 6.547) 9.075 8.198 ( 10.457 0.000 -1.729) 10.599 8.258 ( -2.166 0.000 2.336) 3.186 8.313 ( 5.795 0.000 -2.596) 6.350 8.441 ( 3.855 0.000 -6.276) 7.365 8.612 ( 0.101 0.000 -7.064) 7.064 8.778 ( 1.815 0.000 2.722) 3.271 9.127 ( -0.891 0.000 -3.172) 3.295 9.142 ( -5.005 0.000 -0.943) 5.093 9.266 ( -6.551 0.000 -1.469) 6.714 9.563 ( -2.924 0.000 3.281) 4.395 9.596 ( 1.383 0.000 0.002) 1.383 9.656 ( 2.000 0.000 -1.203) 2.334 9.719 ( -2.765 0.000 0.254) 2.777 9.880 ( -3.741 0.000 4.894) 6.160 10.041 ( -3.953 0.000 5.450) 6.732 10.136 ( 3.619 0.000 4.180) 5.529 10.255 ( -0.015 0.000 2.242) 2.242 10.632 ( 7.251 0.000 5.001) 8.808 10.843 ( -1.659 0.000 -0.904) 1.889 10.937 ( 3.187 0.000 4.907) 5.852 11.049 ( 7.006 0.000 5.762) 9.071 11.063 ( 0.975 0.000 -1.836) 2.079 11.074 ( 0.833 0.000 2.430) 2.569 11.158 ( -0.795 0.000 1.086) 1.346 11.357 ( -1.571 0.000 2.508) 2.959 11.383 ( -0.061 0.000 3.156) 3.157 11.608 ( 0.275 0.000 1.005) 1.042 11.609 ( 0.594 0.000 4.684) 4.721 11.840 ( -3.532 0.000 6.300) 7.223 12.020 ( 3.569 0.000 0.175) 3.573 12.116 ( 11.797 0.000 -0.780) 11.822 12.403 ( 3.926 0.000 -4.263) 5.796 12.449 ( -3.694 0.000 0.527) 3.731 12.480 ( 2.943 0.000 -3.663) 4.699 12.625 ( -1.706 0.000 0.870) 1.915 12.626 ( 0.988 0.000 -2.310) 2.512 12.780 ( -1.976 0.000 -3.516) 4.033 13.705 ( 7.990 0.000 1.469) 8.124 13.769 ( 6.620 0.000 2.443) 7.056 14.263 ( 21.354 0.000 -3.505) 21.640 14.323 ( 18.761 0.000 -5.651) 19.594 14.369 ( -5.194 0.000 -0.941) 5.278 14.410 ( -5.700 0.000 -0.894) 5.770 14.434 ( 9.823 0.000 -1.441) 9.928 14.561 ( 14.051 0.000 -3.875) 14.576 15.669 ( 16.024 0.000 -4.641) 16.682 15.679 ( -8.743 0.000 4.416) 9.795 15.907 ( -19.741 0.000 0.012) 19.741 15.954 ( 1.985 0.000 -2.979) 3.579 15.985 ( 0.447 0.000 -0.742) 0.866 16.200 ( -3.785 0.000 -7.658) 8.542 16.596 ( -24.732 0.000 -0.191) 24.733 16.708 ( -24.975 0.000 -0.994) 24.995 17.341 ( -8.388 0.000 -5.033) 9.782 17.443 ( -7.881 0.000 -8.841) 11.844 17.633 ( -13.236 0.000 -4.571) 14.003 17.705 ( -12.326 0.000 -6.224) 13.808 ======================= Grid point 58 (25/50) ======================= q-point: ( 0.44 0.00 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 82 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.543 ( 6.100 0.000 4.836) 7.785 1.637 ( -3.477 0.000 5.012) 6.100 2.270 ( 6.401 0.000 3.574) 7.331 2.343 ( 0.542 0.000 10.940) 10.953 2.429 ( 11.390 0.000 -1.007) 11.435 2.558 ( 2.755 0.000 2.668) 3.835 2.666 ( 10.908 0.000 0.607) 10.924 2.774 ( 8.545 0.000 0.945) 8.597 2.847 ( 1.913 0.000 0.327) 1.940 2.876 ( 8.337 0.000 11.124) 13.901 2.910 ( -6.433 0.000 -1.066) 6.521 3.037 ( -9.201 0.000 1.798) 9.375 3.038 ( -8.514 0.000 2.568) 8.893 3.110 ( -6.069 0.000 6.725) 9.059 3.378 ( 8.357 0.000 -1.165) 8.438 3.465 ( -2.307 0.000 0.796) 2.441 3.518 ( 6.200 0.000 5.003) 7.966 3.664 ( 0.997 0.000 0.570) 1.148 3.722 ( -5.567 0.000 2.156) 5.970 3.724 ( -10.714 0.000 2.873) 11.092 3.855 ( 2.027 0.000 -2.163) 2.965 3.869 ( 12.357 0.000 0.428) 12.364 3.888 ( -0.994 0.000 -2.427) 2.622 4.091 ( -9.185 0.000 3.396) 9.793 4.249 ( 6.994 0.000 -1.319) 7.117 4.321 ( 0.399 0.000 1.657) 1.704 4.364 ( 12.211 0.000 -1.928) 12.362 4.505 ( 0.799 0.000 -1.329) 1.551 4.675 ( 7.745 0.000 -8.770) 11.700 4.730 ( -0.740 0.000 -3.107) 3.194 4.786 ( -4.363 0.000 -0.575) 4.401 4.805 ( -1.791 0.000 -11.371) 11.512 4.903 ( 11.963 0.000 -1.738) 12.089 5.060 ( 18.619 0.000 -2.984) 18.857 5.129 ( 3.583 0.000 -0.475) 3.614 5.172 ( -8.883 0.000 -5.327) 10.358 5.184 ( -0.934 0.000 -0.406) 1.019 5.267 ( 3.900 0.000 -3.532) 5.262 5.384 ( -11.619 0.000 -8.511) 14.402 5.515 ( -14.877 0.000 -3.275) 15.233 5.531 ( 6.252 0.000 -5.542) 8.355 5.674 ( -7.643 0.000 -6.070) 9.760 5.753 ( 1.407 0.000 3.124) 3.426 5.762 ( 7.228 0.000 -2.063) 7.517 5.831 ( -5.169 0.000 2.248) 5.637 5.903 ( -5.112 0.000 -1.533) 5.337 6.125 ( 2.770 0.000 4.632) 5.397 6.180 ( -2.363 0.000 3.850) 4.517 6.195 ( 6.006 0.000 3.478) 6.940 6.333 ( -7.040 0.000 -1.076) 7.121 6.508 ( 3.666 0.000 4.237) 5.602 6.603 ( -5.778 0.000 4.014) 7.035 6.868 ( 8.222 0.000 2.135) 8.495 7.017 ( -6.013 0.000 1.857) 6.293 7.082 ( 7.644 0.000 5.387) 9.352 7.201 ( -1.473 0.000 5.119) 5.326 7.203 ( 0.956 0.000 2.797) 2.956 7.256 ( -3.902 0.000 1.689) 4.252 7.358 ( -1.156 0.000 4.024) 4.187 7.425 ( -4.640 0.000 4.175) 6.242 7.796 ( 0.213 0.000 -0.894) 0.920 7.828 ( -2.967 0.000 3.261) 4.409 8.041 ( 7.295 0.000 -3.076) 7.917 8.176 ( -5.774 0.000 -0.999) 5.860 8.362 ( 5.298 0.000 -5.017) 7.297 8.400 ( 1.665 0.000 -3.809) 4.157 8.524 ( 4.549 0.000 -6.865) 8.235 8.597 ( -2.047 0.000 -6.421) 6.739 8.873 ( 7.085 0.000 3.832) 8.055 9.031 ( -7.633 0.000 1.477) 7.775 9.079 ( -0.423 0.000 1.262) 1.331 9.136 ( -5.561 0.000 0.884) 5.630 9.574 ( 3.180 0.000 0.468) 3.214 9.627 ( 1.688 0.000 -0.370) 1.728 9.652 ( -3.913 0.000 -0.306) 3.925 9.662 ( -1.424 0.000 -0.970) 1.723 9.873 ( 2.810 0.000 4.937) 5.681 9.954 ( -4.563 0.000 4.786) 6.613 10.202 ( 2.745 0.000 2.189) 3.511 10.243 ( -1.276 0.000 1.379) 1.879 10.754 ( 4.389 0.000 2.785) 5.198 10.812 ( -1.796 0.000 0.817) 1.974 10.989 ( 2.353 0.000 4.103) 4.730 11.036 ( -2.202 0.000 2.896) 3.638 11.093 ( 2.008 0.000 0.675) 2.119 11.132 ( -1.694 0.000 2.116) 2.711 11.212 ( 7.029 0.000 6.472) 9.555 11.332 ( -4.686 0.000 5.636) 7.329 11.370 ( 3.902 0.000 5.450) 6.703 11.506 ( -8.148 0.000 7.120) 10.821 11.663 ( 4.401 0.000 0.635) 4.447 11.758 ( -4.615 0.000 2.937) 5.470 12.163 ( 8.975 0.000 1.139) 9.047 12.333 ( -6.765 0.000 1.487) 6.927 12.358 ( 10.209 0.000 1.220) 10.282 12.480 ( 3.618 0.000 -4.078) 5.452 12.525 ( 0.163 0.000 -4.213) 4.216 12.539 ( -6.841 0.000 2.091) 7.154 12.645 ( 2.071 0.000 -4.982) 5.395 12.716 ( -4.048 0.000 -5.284) 6.656 13.923 ( 13.112 0.000 -1.631) 13.213 13.958 ( 11.896 0.000 -1.054) 11.943 14.189 ( -12.045 0.000 -2.112) 12.229 14.217 ( -12.535 0.000 -1.664) 12.645 14.545 ( 10.567 0.000 0.666) 10.588 14.600 ( 8.854 0.000 0.278) 8.859 14.677 ( 6.544 0.000 0.162) 6.546 14.763 ( 0.630 0.000 0.260) 0.681 15.670 ( 10.058 0.000 2.023) 10.259 15.762 ( 10.074 0.000 -3.757) 10.752 15.913 ( 8.013 0.000 -2.824) 8.496 15.979 ( 0.823 0.000 -0.456) 0.941 16.049 ( 3.883 0.000 -1.755) 4.261 16.074 ( -25.702 0.000 -0.750) 25.713 16.131 ( -3.995 0.000 -4.186) 5.786 16.184 ( -25.987 0.000 -3.294) 26.195 17.242 ( -0.315 0.000 -5.743) 5.751 17.322 ( -5.743 0.000 -6.634) 8.775 17.422 ( -4.193 0.000 -9.627) 10.501 17.488 ( -8.354 0.000 -8.965) 12.254 ======================= Grid point 63 (26/50) ======================= q-point: ( 0.00 0.33 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 70 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.120 ( 0.000 22.587 12.600) 25.864 1.330 ( 0.000 8.004 25.994) 27.199 1.549 ( 0.000 -8.360 20.476) 22.117 1.560 ( 0.000 -11.778 20.909) 23.998 1.697 ( 0.000 -8.220 5.579) 9.935 1.761 ( 0.000 -6.405 24.913) 25.724 2.054 ( 0.000 10.243 -3.162) 10.720 2.190 ( 0.000 -1.515 5.847) 6.040 2.352 ( 0.000 13.505 21.003) 24.970 2.446 ( 0.000 -1.854 -0.984) 2.099 2.648 ( 0.000 6.580 12.149) 13.817 2.981 ( 0.000 -16.150 15.305) 22.250 3.014 ( 0.000 5.418 0.993) 5.508 3.082 ( 0.000 1.933 2.143) 2.886 3.116 ( 0.000 -1.018 -0.199) 1.037 3.269 ( 0.000 3.658 3.657) 5.173 3.273 ( 0.000 -10.764 4.815) 11.792 3.373 ( 0.000 -4.376 5.733) 7.212 3.640 ( 0.000 3.078 -4.290) 5.280 3.661 ( 0.000 0.689 -8.165) 8.194 3.813 ( 0.000 0.747 -9.153) 9.183 3.842 ( 0.000 -2.141 -6.186) 6.546 3.982 ( 0.000 10.097 -1.871) 10.269 4.007 ( 0.000 2.539 -7.652) 8.062 4.028 ( 0.000 5.338 1.263) 5.485 4.090 ( 0.000 -3.344 -6.646) 7.440 4.215 ( 0.000 -2.251 3.483) 4.147 4.222 ( 0.000 -1.454 1.225) 1.901 4.233 ( 0.000 -1.818 4.031) 4.422 4.244 ( 0.000 -5.481 1.882) 5.795 4.427 ( 0.000 8.315 8.078) 11.593 4.601 ( 0.000 -8.356 1.747) 8.536 4.758 ( 0.000 3.634 -3.771) 5.237 4.814 ( 0.000 -1.323 -5.267) 5.431 4.998 ( 0.000 7.646 2.277) 7.978 5.169 ( 0.000 -8.275 3.186) 8.867 5.498 ( 0.000 -0.634 -9.720) 9.740 5.518 ( 0.000 -2.955 -10.304) 10.719 5.686 ( 0.000 2.884 -3.169) 4.285 5.719 ( 0.000 -0.517 0.487) 0.711 5.799 ( 0.000 5.076 -1.212) 5.218 5.840 ( 0.000 0.440 -7.649) 7.661 5.922 ( 0.000 3.751 -4.240) 5.661 5.958 ( 0.000 -1.936 -12.149) 12.303 6.027 ( 0.000 -3.318 1.297) 3.563 6.042 ( 0.000 -6.097 -3.328) 6.946 6.159 ( 0.000 8.796 5.599) 10.427 6.172 ( 0.000 2.650 5.814) 6.390 6.211 ( 0.000 -1.235 3.402) 3.619 6.300 ( 0.000 -4.547 4.000) 6.056 6.513 ( 0.000 6.041 -4.408) 7.478 6.665 ( 0.000 -8.583 -3.852) 9.407 6.774 ( 0.000 6.515 -1.506) 6.687 6.838 ( 0.000 0.354 0.930) 0.995 6.920 ( 0.000 0.206 1.943) 1.954 6.995 ( 0.000 -6.540 -4.007) 7.670 7.355 ( 0.000 5.775 -3.810) 6.919 7.423 ( 0.000 9.370 2.630) 9.733 7.449 ( 0.000 -3.768 -4.972) 6.239 7.622 ( 0.000 -9.019 1.904) 9.218 7.889 ( 0.000 2.484 -0.465) 2.528 7.893 ( 0.000 0.780 -0.218) 0.810 8.087 ( 0.000 1.544 -0.314) 1.575 8.159 ( 0.000 -3.801 -1.519) 4.093 8.208 ( 0.000 5.720 12.591) 13.829 8.298 ( 0.000 5.794 2.577) 6.341 8.464 ( 0.000 -10.782 7.406) 13.080 8.542 ( 0.000 -8.959 -2.279) 9.244 8.891 ( 0.000 -1.302 -2.515) 2.832 8.901 ( 0.000 -2.630 -4.758) 5.436 9.388 ( 0.000 3.218 1.206) 3.436 9.467 ( 0.000 -4.089 0.335) 4.103 9.598 ( 0.000 10.433 -2.789) 10.799 9.798 ( 0.000 -4.426 0.931) 4.523 9.812 ( 0.000 2.595 -6.862) 7.336 9.839 ( 0.000 1.882 1.673) 2.518 10.051 ( 0.000 1.370 3.012) 3.309 10.097 ( 0.000 -2.329 2.520) 3.431 10.215 ( 0.000 2.313 4.330) 4.909 10.232 ( 0.000 -0.190 3.964) 3.968 10.455 ( 0.000 3.091 4.965) 5.849 10.514 ( 0.000 -2.430 5.156) 5.700 10.581 ( 0.000 0.816 0.224) 0.847 10.595 ( 0.000 -0.713 1.360) 1.536 10.772 ( 0.000 7.932 0.688) 7.961 10.935 ( 0.000 -6.589 -3.180) 7.316 11.103 ( 0.000 5.732 -2.926) 6.436 11.224 ( 0.000 -5.555 -3.862) 6.766 11.367 ( 0.000 3.570 -0.490) 3.603 11.445 ( 0.000 -3.698 1.086) 3.854 11.761 ( 0.000 3.612 6.276) 7.241 11.871 ( 0.000 -6.109 10.913) 12.507 11.990 ( 0.000 7.061 -6.095) 9.328 12.119 ( 0.000 -5.823 -7.352) 9.379 12.326 ( 0.000 2.020 -1.147) 2.323 12.336 ( 0.000 3.188 -5.770) 6.592 12.422 ( 0.000 -2.582 0.094) 2.584 12.434 ( 0.000 -1.977 -1.631) 2.563 12.650 ( 0.000 5.202 1.074) 5.312 12.755 ( 0.000 -4.845 0.692) 4.894 13.279 ( 0.000 0.335 -5.242) 5.252 13.287 ( 0.000 -0.412 -6.070) 6.084 13.612 ( 0.000 1.303 -8.767) 8.864 13.631 ( 0.000 -0.449 -8.880) 8.891 14.273 ( 0.000 0.890 -9.054) 9.097 14.292 ( 0.000 -0.488 -6.030) 6.049 14.348 ( 0.000 2.129 -3.656) 4.230 14.366 ( 0.000 0.629 -1.098) 1.265 14.898 ( 0.000 8.531 17.384) 19.364 15.200 ( 0.000 -20.447 11.513) 23.465 16.223 ( 0.000 2.700 4.095) 4.905 16.259 ( 0.000 -1.161 5.652) 5.770 16.789 ( 0.000 9.647 -4.735) 10.746 16.936 ( 0.000 -4.321 -9.727) 10.643 17.460 ( 0.000 1.097 2.120) 2.387 17.508 ( 0.000 -3.103 1.945) 3.662 17.771 ( 0.000 2.262 -2.695) 3.519 17.812 ( 0.000 -1.579 -2.422) 2.891 18.155 ( 0.000 0.035 -1.035) 1.035 18.158 ( 0.000 -0.180 -0.293) 0.344 ======================= Grid point 64 (27/50) ======================= q-point: ( 0.11 0.33 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 122 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.162 ( 5.532 18.877 12.107) 23.098 1.529 ( 10.755 -5.667 19.789) 23.225 1.595 ( 9.898 -6.226 13.677) 17.994 1.677 ( 8.276 -0.787 20.840) 22.437 1.828 ( 7.423 -0.707 18.108) 19.583 1.875 ( 17.063 -8.120 10.127) 21.439 2.063 ( 1.739 9.098 -0.471) 9.275 2.215 ( 2.434 -4.483 3.313) 6.083 2.353 ( 1.490 12.428 23.470) 26.599 2.484 ( 4.455 0.014 3.804) 5.858 2.803 ( 12.405 2.306 6.720) 14.295 2.911 ( -3.821 -1.737 7.169) 8.307 3.084 ( 3.013 -5.164 2.531) 6.493 3.109 ( 3.033 -8.269 7.301) 11.440 3.172 ( 6.296 5.672 0.537) 8.491 3.301 ( 2.589 -7.601 3.152) 8.627 3.356 ( 7.555 4.774 4.123) 9.842 3.481 ( 8.927 -5.432 4.007) 11.192 3.647 ( 1.494 3.040 -4.341) 5.506 3.659 ( 0.040 1.519 -8.210) 8.350 3.818 ( 0.895 1.463 -7.093) 7.298 3.860 ( 0.716 -2.081 -6.200) 6.579 3.958 ( -2.227 3.593 -3.233) 5.322 3.991 ( -0.085 6.343 -4.437) 7.742 4.036 ( -2.702 -2.141 -3.852) 5.169 4.092 ( 3.368 5.006 -1.200) 6.151 4.185 ( -1.746 -3.206 0.925) 3.766 4.221 ( -0.488 -0.896 3.500) 3.646 4.254 ( 2.737 -3.195 3.866) 5.713 4.300 ( 3.660 -5.473 3.099) 7.276 4.527 ( 8.567 7.539 5.539) 12.685 4.652 ( 4.471 -3.651 0.038) 5.773 4.707 ( -3.188 3.881 -3.701) 6.239 4.803 ( -1.269 -3.739 -5.341) 6.642 5.012 ( 1.436 7.191 2.293) 7.683 5.156 ( -1.012 -6.198 2.621) 6.805 5.452 ( -6.492 -0.290 -10.155) 12.056 5.486 ( -3.002 -3.122 -9.794) 10.709 5.662 ( -1.986 2.588 -3.227) 4.589 5.684 ( -1.437 0.324 2.075) 2.545 5.737 ( -3.108 2.089 -4.998) 6.245 5.828 ( -2.857 -5.115 -1.506) 6.049 5.932 ( 1.675 4.623 -5.559) 7.422 5.974 ( -1.136 1.736 -7.555) 7.834 6.022 ( -0.339 -2.916 -0.667) 3.010 6.045 ( 0.181 -6.499 -4.394) 7.847 6.117 ( -2.246 6.056 3.829) 7.508 6.194 ( 0.026 3.120 3.566) 4.739 6.226 ( -2.413 -0.942 4.313) 5.031 6.286 ( 2.723 -2.088 2.432) 4.206 6.539 ( 1.892 5.879 -4.627) 7.717 6.613 ( -1.774 0.037 -4.860) 5.174 6.820 ( 0.435 0.068 0.561) 0.713 6.860 ( 1.219 -4.310 0.525) 4.510 6.973 ( 5.299 -0.009 1.440) 5.491 7.006 ( 1.337 -3.132 -1.886) 3.893 7.348 ( -0.684 5.455 -1.494) 5.697 7.420 ( -0.720 1.719 -0.855) 2.050 7.468 ( 1.963 3.487 -0.807) 4.082 7.633 ( 1.293 -8.633 1.032) 8.790 7.876 ( -1.832 1.379 0.572) 2.363 7.891 ( -0.047 0.767 0.798) 1.108 8.049 ( -3.985 6.669 0.449) 7.782 8.139 ( -1.895 0.250 5.011) 5.363 8.191 ( 1.298 -4.407 -0.454) 4.616 8.254 ( -10.833 -8.881 9.873) 17.137 8.369 ( 1.658 8.336 3.299) 9.117 8.555 ( -0.458 -8.552 -1.304) 8.663 8.875 ( -0.800 0.857 -3.890) 4.063 8.936 ( 2.721 -4.147 -4.338) 6.590 9.377 ( -1.559 3.026 0.318) 3.419 9.435 ( -3.022 -1.770 -1.031) 3.651 9.581 ( -0.852 6.447 -1.154) 6.604 9.734 ( -5.289 -4.350 -4.269) 8.069 9.778 ( -2.868 4.729 -0.296) 5.539 9.822 ( -1.763 1.391 1.186) 2.539 10.012 ( -2.169 0.219 4.931) 5.392 10.071 ( -2.009 -3.197 2.961) 4.798 10.171 ( -1.625 1.848 6.987) 7.407 10.205 ( -0.646 -1.889 6.569) 6.865 10.520 ( 4.002 7.421 2.988) 8.945 10.621 ( 7.817 -2.561 7.022) 10.815 10.760 ( 8.426 0.594 -2.224) 8.735 10.782 ( 12.008 -1.840 -4.876) 13.090 10.822 ( 7.780 4.367 0.329) 8.928 10.944 ( 2.308 -6.034 -2.209) 6.827 11.137 ( 4.075 6.530 -2.206) 8.006 11.250 ( 3.139 -4.405 -2.780) 6.082 11.369 ( 0.410 3.097 -0.402) 3.150 11.436 ( -0.483 -3.321 1.431) 3.649 11.744 ( -1.400 4.021 5.873) 7.254 11.857 ( -1.439 -5.928 9.561) 11.342 11.925 ( -4.417 7.167 -3.051) 8.954 12.084 ( -3.768 -8.094 -5.422) 10.445 12.334 ( 0.710 2.752 -3.265) 4.329 12.360 ( 3.207 -0.373 -1.750) 3.672 12.448 ( 3.325 1.719 -1.132) 3.910 12.493 ( 2.597 -2.759 -0.593) 3.835 12.653 ( 0.870 4.922 -0.411) 5.015 12.749 ( -0.012 -4.376 -0.348) 4.389 13.419 ( 13.445 0.992 -5.159) 14.435 13.445 ( 14.688 -1.430 -6.067) 15.956 13.622 ( 0.039 1.170 -2.050) 2.361 13.639 ( 1.408 -0.378 -2.784) 3.142 14.280 ( 0.815 1.181 -8.530) 8.650 14.310 ( 1.362 -1.578 -8.148) 8.410 14.372 ( 2.593 2.446 -2.073) 4.123 14.394 ( 2.558 0.303 -0.823) 2.705 15.056 ( 14.381 9.888 8.719) 19.509 15.361 ( 13.585 -19.171 1.045) 23.519 16.164 ( -5.618 3.138 3.349) 7.254 16.200 ( -5.526 -0.925 4.736) 7.336 16.643 ( -13.151 7.610 -3.665) 15.630 16.768 ( -15.811 -4.070 -7.318) 17.892 17.354 ( -10.261 1.709 1.926) 10.579 17.408 ( -9.859 -3.119 1.670) 10.475 17.711 ( -5.778 2.388 -3.498) 7.164 17.757 ( -5.494 -1.826 -3.716) 6.879 18.083 ( -6.644 0.712 -1.002) 6.757 18.103 ( -5.939 -1.092 -1.704) 6.275 ======================= Grid point 65 (28/50) ======================= q-point: ( 0.22 0.33 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 122 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.333 ( 10.543 15.322 7.833) 20.181 1.662 ( 6.458 -14.105 9.201) 18.037 1.812 ( 6.702 -1.006 9.675) 11.812 1.862 ( 9.708 -3.623 14.261) 17.628 2.076 ( 12.733 12.950 9.659) 20.570 2.183 ( 10.663 4.064 7.618) 13.720 2.248 ( 15.223 -3.918 14.085) 21.106 2.319 ( 9.358 -9.695 5.106) 14.410 2.465 ( 12.061 10.602 18.819) 24.739 2.627 ( 9.969 -2.281 4.189) 11.051 2.857 ( -0.939 0.555 1.809) 2.112 2.991 ( 2.258 -9.416 1.180) 9.755 3.132 ( 6.327 5.467 1.227) 8.452 3.262 ( 6.246 -5.891 4.116) 9.522 3.303 ( 6.785 3.031 1.613) 7.604 3.356 ( 2.843 -0.765 3.144) 4.307 3.509 ( 4.164 3.237 2.121) 5.684 3.593 ( 4.827 -2.651 0.419) 5.523 3.667 ( 0.092 1.886 -5.046) 5.388 3.738 ( 1.553 -3.585 -4.809) 6.195 3.837 ( -1.869 -0.096 -5.611) 5.914 3.849 ( 0.827 -1.789 -0.833) 2.140 3.932 ( 1.652 3.689 -4.072) 5.737 3.977 ( 2.908 -0.227 -1.770) 3.412 4.080 ( 6.086 2.817 1.618) 6.899 4.159 ( -3.177 -0.639 4.250) 5.345 4.194 ( 6.950 0.813 -2.299) 7.365 4.203 ( 2.962 4.208 0.898) 5.224 4.330 ( 4.700 -3.148 2.045) 6.015 4.381 ( 5.005 -7.313 3.000) 9.356 4.606 ( -1.356 9.138 -5.156) 10.580 4.730 ( 2.874 -1.053 -0.827) 3.170 4.786 ( 5.936 -2.087 -1.689) 6.515 4.808 ( 6.813 -3.442 -3.321) 8.324 5.063 ( 3.856 7.242 2.040) 8.454 5.142 ( -0.025 -1.273 1.367) 1.868 5.285 ( -8.347 2.878 -6.791) 11.139 5.384 ( -6.025 -5.771 -9.579) 12.703 5.594 ( -3.977 5.254 -6.014) 8.921 5.683 ( -1.770 1.537 -4.175) 4.788 5.700 ( -0.355 -5.883 0.225) 5.898 5.759 ( -2.933 -6.179 0.610) 6.867 5.889 ( -5.831 2.614 -5.181) 8.227 5.959 ( -3.091 2.086 -4.725) 6.020 5.972 ( -2.922 -2.405 -1.670) 4.137 6.037 ( -1.900 -3.519 -0.593) 4.043 6.076 ( -1.818 4.652 1.262) 5.151 6.152 ( -1.538 -2.023 0.469) 2.584 6.218 ( 1.240 7.173 5.563) 9.162 6.347 ( 2.371 -5.071 2.448) 6.110 6.556 ( -0.356 5.392 -5.413) 7.648 6.622 ( 1.919 -0.094 -3.438) 3.939 6.821 ( -0.747 -0.038 0.484) 0.891 6.857 ( 0.179 -2.985 2.245) 3.739 7.047 ( 3.176 -0.072 1.663) 3.586 7.067 ( 2.716 -1.994 0.477) 3.403 7.322 ( -2.032 3.945 2.566) 5.126 7.387 ( -2.576 -2.231 -0.008) 3.408 7.512 ( 1.695 6.632 1.182) 6.947 7.642 ( -2.917 -4.994 3.101) 6.562 7.814 ( -2.042 1.245 1.762) 2.971 7.871 ( -1.875 -1.374 0.747) 2.442 7.998 ( -3.171 0.864 3.194) 4.583 8.075 ( -2.051 -2.765 4.938) 6.020 8.145 ( 2.271 0.718 0.281) 2.398 8.245 ( 4.216 -5.209 -4.271) 7.947 8.428 ( 3.310 6.470 1.809) 7.489 8.550 ( 0.476 -5.211 -1.055) 5.338 8.871 ( 0.466 5.967 -3.592) 6.980 9.000 ( 3.175 -6.302 -4.627) 8.438 9.303 ( -5.564 3.184 -1.483) 6.580 9.358 ( -4.901 -2.111 -2.087) 5.730 9.578 ( 0.238 2.553 0.817) 2.691 9.655 ( -2.008 -2.519 -0.814) 3.322 9.691 ( -5.262 4.596 0.733) 7.025 9.766 ( -3.898 -1.233 0.386) 4.106 9.976 ( -1.511 2.073 5.134) 5.739 10.051 ( 0.375 -2.260 3.545) 4.221 10.162 ( 0.247 2.401 6.825) 7.239 10.207 ( 0.281 -2.729 5.953) 6.555 10.593 ( 3.704 9.040 2.336) 10.045 10.771 ( 5.269 -6.972 2.897) 9.206 10.852 ( 2.678 0.233 1.189) 2.939 10.881 ( 3.043 -2.027 1.490) 3.948 10.979 ( 4.406 1.045 -1.334) 4.721 11.035 ( 3.607 -3.151 -2.401) 5.358 11.260 ( 4.970 6.236 -0.088) 7.975 11.333 ( 2.628 -2.444 -0.707) 3.658 11.395 ( 2.380 4.166 0.001) 4.798 11.480 ( 5.877 -2.527 2.425) 6.841 11.704 ( -2.854 5.053 5.248) 7.824 11.822 ( -1.863 -6.005 7.438) 9.739 11.896 ( 3.444 2.668 -1.639) 4.654 11.999 ( -3.064 -7.062 -1.684) 7.881 12.379 ( 3.074 3.322 -3.277) 5.588 12.421 ( 2.411 -1.060 -2.568) 3.678 12.491 ( 0.985 1.866 -0.152) 2.116 12.544 ( 2.504 -2.877 0.256) 3.823 12.682 ( 1.387 4.378 -1.639) 4.876 12.761 ( 0.764 -3.219 -1.894) 3.812 13.629 ( 1.985 1.750 3.702) 4.550 13.665 ( 2.677 -1.622 3.740) 4.877 13.799 ( 22.499 1.802 -5.210) 23.165 13.845 ( 23.156 -2.565 -6.855) 24.286 14.319 ( 3.550 1.331 -5.770) 6.904 14.354 ( 3.616 -2.056 -6.099) 7.382 14.426 ( 1.849 1.973 -1.350) 3.022 14.449 ( 2.043 -0.037 -0.810) 2.198 15.397 ( 17.554 9.057 -2.345) 19.892 15.629 ( 10.616 -13.159 -5.181) 17.683 16.019 ( -7.896 4.280 0.837) 9.021 16.064 ( -7.163 -0.803 2.485) 7.624 16.344 ( -14.338 1.122 -3.986) 14.924 16.368 ( -21.731 -1.000 -3.307) 22.004 17.061 ( -18.586 2.365 0.941) 18.760 17.119 ( -18.582 -2.944 0.748) 18.829 17.553 ( -9.335 2.350 -4.849) 10.779 17.603 ( -9.264 -2.105 -5.989) 11.231 17.898 ( -11.463 1.016 -2.296) 11.735 17.927 ( -11.131 -1.631 -3.291) 11.721 ======================= Grid point 66 (29/50) ======================= q-point: ( 0.33 0.33 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 122 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.543 ( 9.598 14.178 4.177) 17.623 1.763 ( 2.924 2.109 5.576) 6.640 1.946 ( 6.949 -9.912 1.546) 12.203 2.026 ( 6.174 -9.121 6.174) 12.627 2.332 ( 13.149 8.476 15.085) 21.733 2.379 ( 9.845 3.236 9.258) 13.896 2.449 ( 9.481 -3.808 9.004) 13.619 2.538 ( 8.763 -9.449 12.421) 17.898 2.763 ( 10.125 9.959 3.032) 14.522 2.858 ( 10.539 4.858 -2.370) 11.845 2.933 ( 10.199 -2.174 2.877) 10.818 2.994 ( -0.077 -9.678 0.938) 9.724 3.178 ( -1.719 5.939 -1.668) 6.404 3.268 ( -4.631 -1.201 -1.185) 4.929 3.362 ( -5.748 1.942 0.144) 6.069 3.420 ( 0.621 -2.585 0.967) 2.829 3.510 ( 1.559 3.634 6.810) 7.875 3.606 ( -2.826 -2.375 2.936) 4.717 3.718 ( 2.537 -0.570 -4.543) 5.235 3.760 ( 1.171 -3.673 -1.419) 4.108 3.819 ( 4.538 -0.451 2.896) 5.402 3.853 ( -0.207 -2.908 1.704) 3.377 4.004 ( 1.571 4.446 -1.901) 5.084 4.028 ( 0.067 3.531 -1.904) 4.012 4.127 ( 5.775 -1.185 -0.385) 5.908 4.156 ( 0.072 -2.582 4.226) 4.953 4.332 ( 6.081 2.452 0.114) 6.558 4.383 ( 8.113 -1.747 -5.207) 9.798 4.512 ( 11.359 4.368 -1.101) 12.220 4.565 ( 14.685 -0.754 -0.494) 14.712 4.633 ( 7.683 -1.424 -2.740) 8.280 4.703 ( -1.463 -5.882 -5.180) 7.973 4.887 ( 0.290 2.165 -3.606) 4.216 4.935 ( 2.609 -2.407 -3.221) 4.794 5.153 ( 1.624 9.340 -5.925) 11.180 5.175 ( 3.189 2.079 0.304) 3.819 5.184 ( 2.170 1.114 0.791) 2.564 5.294 ( -2.046 -4.509 -9.214) 10.460 5.514 ( -3.496 3.217 -6.360) 7.939 5.605 ( -7.896 -5.304 -5.808) 11.145 5.653 ( -2.167 2.942 -2.508) 4.432 5.726 ( -3.835 -3.677 0.065) 5.313 5.767 ( -4.092 -0.240 0.697) 4.158 5.805 ( -8.282 -2.569 -3.158) 9.228 5.927 ( -3.261 0.903 0.863) 3.492 5.966 ( -2.898 -1.960 0.589) 3.548 6.060 ( -1.018 3.499 -0.487) 3.676 6.140 ( -0.796 -3.491 0.825) 3.675 6.253 ( 2.299 7.178 5.309) 9.219 6.387 ( 1.987 -5.575 3.852) 7.062 6.521 ( -3.439 5.438 -3.050) 7.121 6.630 ( -2.632 -5.148 -0.984) 5.865 6.820 ( 3.067 5.381 2.392) 6.640 6.912 ( 4.884 -3.283 3.630) 6.914 7.096 ( 0.921 0.630 0.842) 1.398 7.118 ( 3.035 -1.452 2.472) 4.175 7.268 ( -2.797 3.017 4.125) 5.826 7.322 ( -3.627 -2.066 1.875) 4.576 7.494 ( -5.226 2.550 3.703) 6.894 7.516 ( -6.161 0.727 6.146) 8.733 7.824 ( -0.429 -0.541 -0.881) 1.119 7.853 ( 2.825 -3.668 -1.795) 4.966 7.915 ( -3.267 3.389 2.964) 5.563 8.068 ( -1.530 -10.409 0.693) 10.544 8.275 ( 9.412 5.600 -3.088) 11.379 8.369 ( 7.765 -2.324 -4.917) 9.480 8.495 ( 3.157 5.601 -0.962) 6.501 8.580 ( 2.305 -2.763 -2.022) 4.127 8.885 ( 0.749 8.428 -2.017) 8.698 9.041 ( 0.471 -6.449 -3.319) 7.268 9.178 ( -6.627 1.850 -0.717) 6.917 9.232 ( -7.267 -3.306 -1.274) 8.085 9.568 ( -1.742 3.335 2.288) 4.403 9.610 ( -1.192 0.964 0.886) 1.770 9.639 ( -0.707 -2.397 0.758) 2.612 9.676 ( -4.248 -4.047 0.058) 5.868 9.966 ( 0.726 7.427 3.868) 8.405 10.072 ( 1.018 -0.141 3.425) 3.576 10.161 ( -0.486 1.823 3.944) 4.372 10.208 ( -0.179 -3.329 3.835) 5.082 10.685 ( 5.367 5.587 3.395) 8.459 10.812 ( 0.732 -4.439 0.190) 4.503 10.897 ( 1.068 -2.047 1.679) 2.854 10.933 ( 1.129 -5.359 1.565) 5.695 11.047 ( 3.203 2.105 3.537) 5.216 11.096 ( 3.317 -1.334 2.372) 4.291 11.285 ( -1.650 5.434 3.675) 6.765 11.345 ( -0.460 -1.350 1.846) 2.333 11.448 ( 2.107 5.695 1.464) 6.246 11.529 ( -1.755 -2.480 4.436) 5.377 11.668 ( -1.452 1.634 3.764) 4.353 11.759 ( -3.905 -6.756 6.257) 10.002 12.026 ( 7.425 1.566 -0.811) 7.631 12.080 ( 11.409 -3.005 -1.112) 11.851 12.430 ( 0.637 1.831 -2.616) 3.256 12.465 ( 2.436 0.128 -3.181) 4.008 12.496 ( 0.020 2.631 -0.573) 2.693 12.575 ( 0.368 -3.662 0.162) 3.684 12.685 ( -1.358 4.080 -2.303) 4.878 12.756 ( -1.742 -2.501 -3.214) 4.429 13.721 ( 7.585 1.448 1.720) 7.911 13.752 ( 6.914 -1.468 2.200) 7.403 14.264 ( 18.446 0.208 -4.072) 18.892 14.283 ( 14.412 -1.941 -4.837) 15.326 14.400 ( 0.628 0.864 -1.465) 1.813 14.405 ( -1.700 -0.010 -0.919) 1.932 14.471 ( 9.260 3.180 -1.790) 9.953 14.533 ( 12.075 -2.621 -2.860) 12.683 15.672 ( 4.539 0.292 -0.406) 4.567 15.677 ( -3.911 -0.197 2.687) 4.749 15.916 ( -6.413 1.082 -2.306) 6.900 15.943 ( 1.674 -1.261 -4.053) 4.563 16.046 ( -5.194 5.394 -2.032) 7.759 16.153 ( -4.381 -4.473 -6.211) 8.819 16.622 ( -24.726 2.457 -0.396) 24.851 16.678 ( -24.853 -2.683 -0.789) 25.010 17.368 ( -8.091 2.495 -6.123) 10.449 17.421 ( -7.695 -2.241 -8.318) 11.551 17.643 ( -13.259 1.300 -4.288) 13.996 17.681 ( -12.646 -2.057 -5.258) 13.849 ======================= Grid point 67 (30/50) ======================= q-point: ( 0.44 0.33 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 122 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.701 ( 5.983 14.499 3.032) 15.976 1.778 ( -1.528 12.585 3.530) 13.160 2.056 ( 3.652 -17.085 1.119) 17.507 2.092 ( 0.345 -15.636 2.749) 15.879 2.559 ( 9.567 5.504 7.078) 13.112 2.600 ( 8.224 3.383 5.591) 10.504 2.647 ( 8.995 -2.809 5.265) 10.794 2.697 ( 5.965 -4.916 4.424) 8.906 2.884 ( 5.271 2.228 5.180) 7.719 2.922 ( -1.752 -0.273 2.182) 2.812 2.970 ( -4.981 5.555 3.756) 8.353 3.052 ( -5.834 -1.429 4.052) 7.245 3.097 ( -2.143 7.473 -2.243) 8.091 3.155 ( -4.812 5.575 2.104) 7.660 3.296 ( 2.625 -6.815 -2.354) 7.673 3.353 ( -3.852 -8.735 -0.846) 9.584 3.554 ( 6.130 3.617 4.924) 8.655 3.651 ( 3.271 -5.310 3.425) 7.115 3.694 ( -4.903 0.655 2.358) 5.479 3.728 ( -4.528 -1.939 2.789) 5.661 3.857 ( 3.607 5.978 -0.004) 6.982 3.914 ( -0.725 6.034 0.984) 6.156 3.980 ( 2.710 0.445 0.409) 2.777 4.059 ( -3.061 -4.986 3.194) 6.665 4.213 ( 8.043 0.690 -2.093) 8.340 4.305 ( 9.374 -5.966 -2.535) 11.397 4.357 ( -3.874 4.402 -2.326) 6.308 4.459 ( -2.822 -4.251 -4.230) 6.628 4.650 ( 5.901 -0.049 -5.989) 8.408 4.695 ( 7.713 -2.936 -5.519) 9.928 4.800 ( -7.067 3.681 -4.220) 9.017 4.867 ( -4.933 0.082 -5.508) 7.395 4.934 ( 15.669 2.157 -2.342) 15.989 5.000 ( 18.301 -3.906 -1.931) 18.812 5.171 ( 0.730 3.477 -3.485) 4.977 5.198 ( -4.882 1.252 -4.081) 6.485 5.244 ( 1.039 5.518 -3.132) 6.429 5.307 ( 3.279 1.271 -3.748) 5.139 5.378 ( -12.032 0.283 -7.168) 14.008 5.444 ( -8.193 -5.087 -5.008) 10.867 5.580 ( 0.514 2.998 -2.597) 4.000 5.656 ( -0.912 -3.877 -0.137) 3.985 5.690 ( -4.750 -0.562 -1.672) 5.067 5.722 ( -1.934 -2.923 2.256) 4.168 5.889 ( 2.063 4.694 0.373) 5.141 5.964 ( -0.819 2.484 -0.044) 2.616 6.024 ( 0.089 -3.838 0.813) 3.924 6.094 ( -3.842 -5.624 0.702) 6.847 6.318 ( 4.264 7.088 4.721) 9.524 6.416 ( -3.943 4.687 2.814) 6.740 6.450 ( 2.049 -3.964 3.582) 5.723 6.538 ( -5.248 -5.341 3.324) 8.193 6.935 ( 7.110 5.327 2.536) 9.239 7.032 ( 5.704 -3.369 3.117) 7.322 7.069 ( -3.910 2.991 2.784) 5.655 7.138 ( -2.264 -3.312 3.098) 5.069 7.253 ( 1.313 2.477 3.690) 4.634 7.286 ( 1.659 0.556 3.356) 3.785 7.356 ( -5.406 1.094 4.660) 7.220 7.405 ( -5.932 -2.263 4.663) 7.877 7.827 ( 1.077 3.161 -0.624) 3.397 7.861 ( -2.210 4.593 0.693) 5.144 7.935 ( 4.350 -7.278 -1.997) 8.711 8.015 ( -3.458 -10.197 -1.075) 10.821 8.457 ( 7.429 6.116 -4.761) 10.736 8.515 ( 4.291 3.723 -4.083) 6.996 8.544 ( 2.378 2.708 -5.625) 6.681 8.607 ( -0.907 -0.667 -4.874) 5.002 8.918 ( 3.462 5.214 1.322) 6.397 9.023 ( -3.525 -1.497 0.643) 3.883 9.048 ( -3.629 -2.066 0.875) 4.267 9.092 ( -5.625 -4.043 0.719) 6.965 9.559 ( 1.193 1.385 1.310) 2.249 9.597 ( -2.202 -1.620 0.832) 2.858 9.609 ( 0.236 -2.052 0.458) 2.115 9.629 ( -1.390 -3.682 0.322) 3.949 10.003 ( 2.733 9.537 3.049) 10.379 10.059 ( -2.342 7.717 3.155) 8.660 10.167 ( 1.282 -4.414 1.834) 4.949 10.195 ( -1.156 -4.463 2.145) 5.085 10.785 ( 3.839 3.325 2.441) 5.635 10.825 ( -0.110 1.420 1.209) 1.868 10.905 ( 0.535 -5.815 1.585) 6.051 10.928 ( -1.180 -6.488 1.192) 6.702 11.119 ( 4.149 2.691 5.107) 7.110 11.177 ( 4.123 -1.379 5.933) 7.355 11.217 ( -3.671 2.855 5.418) 7.140 11.296 ( -5.074 -3.697 5.604) 8.416 11.473 ( 2.157 7.834 4.271) 9.180 11.522 ( -0.690 3.622 4.264) 5.637 11.630 ( 0.027 -3.716 2.692) 4.589 11.683 ( -3.724 -6.777 3.539) 8.504 12.208 ( 9.240 4.446 0.508) 10.266 12.306 ( 10.075 -4.477 0.636) 11.043 12.366 ( -6.099 3.705 0.897) 7.192 12.460 ( -4.650 -4.765 0.371) 6.668 12.539 ( 3.842 4.264 -3.946) 6.965 12.592 ( 1.303 1.173 -3.399) 3.825 12.637 ( -1.878 0.878 -4.124) 4.616 12.692 ( -4.165 -2.427 -4.609) 6.670 13.931 ( 12.776 0.746 -1.500) 12.886 13.949 ( 12.177 -0.861 -1.214) 12.268 14.192 ( -11.869 0.360 -2.078) 12.054 14.205 ( -12.085 -0.879 -1.851) 12.257 14.567 ( 10.733 1.841 0.501) 10.901 14.597 ( 10.571 -0.790 0.226) 10.603 14.691 ( 3.523 1.760 0.464) 3.965 14.738 ( 1.244 -2.321 0.417) 2.666 15.680 ( 10.781 1.189 1.051) 10.897 15.720 ( 11.399 -2.748 -1.406) 11.809 15.964 ( 4.470 3.080 -2.693) 6.059 15.995 ( 0.609 0.569 -1.448) 1.671 16.044 ( 1.104 0.899 -2.143) 2.573 16.099 ( -3.332 -2.942 -4.068) 6.026 16.106 ( -23.594 2.542 -1.616) 23.785 16.159 ( -24.573 -2.338 -2.626) 24.823 17.278 ( 0.206 3.324 -7.122) 7.862 17.335 ( -0.999 -0.584 -8.683) 8.760 17.405 ( -8.470 0.164 -7.250) 11.150 17.454 ( -9.001 -3.017 -7.973) 12.397 ======================= Grid point 81 (31/50) ======================= q-point: ( 0.00 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 50 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.204 ( 0.000 0.000 16.167) 16.167 1.789 ( 0.000 0.000 23.468) 23.468 1.879 ( 0.000 0.000 2.445) 2.445 1.932 ( 0.000 0.000 7.727) 7.727 2.073 ( 0.000 0.000 15.361) 15.361 2.095 ( 0.000 0.000 8.195) 8.195 2.200 ( 0.000 0.000 11.226) 11.226 2.259 ( 0.000 0.000 -10.907) 10.907 2.420 ( 0.000 0.000 19.587) 19.587 2.739 ( 0.000 0.000 28.615) 28.615 2.877 ( 0.000 0.000 -4.155) 4.155 2.923 ( 0.000 0.000 9.533) 9.533 3.073 ( 0.000 0.000 3.432) 3.432 3.082 ( 0.000 0.000 -2.896) 2.896 3.281 ( 0.000 0.000 -14.079) 14.079 3.304 ( 0.000 0.000 2.326) 2.326 3.459 ( 0.000 0.000 -12.310) 12.310 3.534 ( 0.000 0.000 -7.290) 7.290 3.563 ( 0.000 0.000 11.274) 11.274 3.627 ( 0.000 0.000 5.072) 5.072 3.706 ( 0.000 0.000 3.391) 3.391 3.794 ( 0.000 0.000 -8.963) 8.963 3.836 ( 0.000 0.000 -6.655) 6.655 3.889 ( 0.000 0.000 14.022) 14.022 3.891 ( 0.000 0.000 6.200) 6.200 3.975 ( 0.000 0.000 -3.945) 3.945 4.230 ( 0.000 0.000 -0.798) 0.798 4.308 ( 0.000 0.000 5.838) 5.838 4.406 ( 0.000 0.000 4.114) 4.114 4.500 ( 0.000 0.000 7.542) 7.542 4.514 ( 0.000 0.000 10.891) 10.891 4.654 ( 0.000 0.000 -1.274) 1.274 4.672 ( 0.000 0.000 0.975) 0.975 4.716 ( 0.000 0.000 -3.431) 3.431 5.004 ( 0.000 0.000 4.376) 4.376 5.329 ( 0.000 0.000 -8.013) 8.013 5.333 ( 0.000 0.000 -10.361) 10.361 5.337 ( 0.000 0.000 -3.287) 3.287 5.469 ( 0.000 0.000 -12.284) 12.284 5.623 ( 0.000 0.000 -0.469) 0.469 5.635 ( 0.000 0.000 -11.255) 11.255 5.671 ( 0.000 0.000 -9.014) 9.014 5.799 ( 0.000 0.000 -7.504) 7.504 5.803 ( 0.000 0.000 0.776) 0.776 5.998 ( 0.000 0.000 -3.397) 3.397 6.077 ( 0.000 0.000 -1.943) 1.943 6.171 ( 0.000 0.000 4.572) 4.572 6.194 ( 0.000 0.000 0.175) 0.175 6.351 ( 0.000 0.000 7.352) 7.352 6.392 ( 0.000 0.000 -1.126) 1.126 6.504 ( 0.000 0.000 8.722) 8.722 6.704 ( 0.000 0.000 -4.677) 4.677 6.714 ( 0.000 0.000 1.778) 1.778 6.825 ( 0.000 0.000 -2.299) 2.299 6.962 ( 0.000 0.000 -3.952) 3.952 6.969 ( 0.000 0.000 1.318) 1.318 7.221 ( 0.000 0.000 -2.048) 2.048 7.371 ( 0.000 0.000 -6.207) 6.207 7.380 ( 0.000 0.000 5.008) 5.008 7.690 ( 0.000 0.000 -2.378) 2.378 7.881 ( 0.000 0.000 -0.220) 0.220 7.906 ( 0.000 0.000 5.364) 5.364 8.051 ( 0.000 0.000 -4.697) 4.697 8.174 ( 0.000 0.000 -0.679) 0.679 8.250 ( 0.000 0.000 2.550) 2.550 8.383 ( 0.000 0.000 8.605) 8.605 8.482 ( 0.000 0.000 -8.241) 8.241 8.644 ( 0.000 0.000 -0.371) 0.371 8.925 ( 0.000 0.000 -2.136) 2.136 8.943 ( 0.000 0.000 -0.775) 0.775 9.303 ( 0.000 0.000 -2.183) 2.183 9.386 ( 0.000 0.000 -5.935) 5.935 9.485 ( 0.000 0.000 1.895) 1.895 9.615 ( 0.000 0.000 -2.742) 2.742 9.835 ( 0.000 0.000 0.593) 0.593 9.845 ( 0.000 0.000 0.953) 0.953 10.172 ( 0.000 0.000 3.472) 3.472 10.204 ( 0.000 0.000 3.843) 3.843 10.288 ( 0.000 0.000 5.948) 5.948 10.301 ( 0.000 0.000 2.563) 2.563 10.517 ( 0.000 0.000 -0.392) 0.392 10.530 ( 0.000 0.000 3.531) 3.531 10.657 ( 0.000 0.000 3.261) 3.261 10.729 ( 0.000 0.000 7.682) 7.682 10.822 ( 0.000 0.000 5.817) 5.817 10.924 ( 0.000 0.000 -4.743) 4.743 10.977 ( 0.000 0.000 -0.996) 0.996 11.274 ( 0.000 0.000 -2.630) 2.630 11.284 ( 0.000 0.000 3.092) 3.092 11.524 ( 0.000 0.000 1.584) 1.584 11.771 ( 0.000 0.000 -5.401) 5.401 11.821 ( 0.000 0.000 2.203) 2.203 12.045 ( 0.000 0.000 -9.784) 9.784 12.059 ( 0.000 0.000 -7.428) 7.428 12.212 ( 0.000 0.000 8.839) 8.839 12.308 ( 0.000 0.000 0.605) 0.605 12.435 ( 0.000 0.000 -0.063) 0.063 12.459 ( 0.000 0.000 0.346) 0.346 12.618 ( 0.000 0.000 0.784) 0.784 12.797 ( 0.000 0.000 -2.274) 2.274 13.173 ( 0.000 0.000 -4.137) 4.137 13.187 ( 0.000 0.000 -3.226) 3.226 13.402 ( 0.000 0.000 -8.675) 8.675 13.437 ( 0.000 0.000 -8.978) 8.978 14.094 ( 0.000 0.000 -6.036) 6.036 14.133 ( 0.000 0.000 -7.206) 7.206 14.310 ( 0.000 0.000 0.734) 0.734 14.345 ( 0.000 0.000 -0.478) 0.478 15.118 ( 0.000 0.000 10.837) 10.837 15.457 ( 0.000 0.000 -2.025) 2.025 16.304 ( 0.000 0.000 6.410) 6.410 16.436 ( 0.000 0.000 8.209) 8.209 16.681 ( 0.000 0.000 0.577) 0.577 16.758 ( 0.000 0.000 -9.051) 9.051 17.515 ( 0.000 0.000 2.818) 2.818 17.585 ( 0.000 0.000 1.292) 1.292 17.689 ( 0.000 0.000 -1.804) 1.804 17.764 ( 0.000 0.000 -3.193) 3.193 18.118 ( 0.000 0.000 -1.476) 1.476 18.141 ( 0.000 0.000 -1.419) 1.419 ======================= Grid point 82 (32/50) ======================= q-point: ( 0.11 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 82 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.255 ( 4.926 0.000 14.871) 15.666 1.868 ( -1.059 0.000 2.874) 3.063 1.951 ( 14.862 0.000 20.739) 25.514 1.978 ( 3.241 0.000 3.667) 4.894 2.136 ( 4.868 0.000 14.149) 14.963 2.157 ( 3.298 0.000 13.724) 14.115 2.256 ( 2.363 0.000 -9.109) 9.411 2.274 ( 11.269 0.000 10.469) 15.382 2.516 ( 6.343 0.000 14.163) 15.518 2.768 ( 2.413 0.000 27.723) 27.828 2.873 ( -0.475 0.000 -4.034) 4.062 2.997 ( 7.089 0.000 8.829) 11.323 3.098 ( 1.512 0.000 -2.415) 2.849 3.128 ( 4.563 0.000 0.715) 4.618 3.316 ( 3.767 0.000 -12.752) 13.296 3.375 ( 6.041 0.000 0.418) 6.055 3.443 ( 0.674 0.000 -9.137) 9.162 3.557 ( -0.618 0.000 10.578) 10.596 3.591 ( 3.022 0.000 -11.093) 11.497 3.644 ( 0.843 0.000 0.096) 0.849 3.759 ( 3.608 0.000 0.862) 3.710 3.774 ( -5.671 0.000 15.280) 16.299 3.811 ( 5.808 0.000 -0.583) 5.837 3.906 ( 5.176 0.000 -7.475) 9.092 3.948 ( -2.560 0.000 -2.339) 3.468 3.989 ( 6.043 0.000 6.246) 8.691 4.244 ( 0.959 0.000 0.597) 1.130 4.271 ( -3.425 0.000 3.095) 4.617 4.396 ( -0.270 0.000 4.766) 4.773 4.543 ( 2.623 0.000 8.892) 9.271 4.567 ( -5.348 0.000 -1.472) 5.547 4.597 ( 6.626 0.000 7.174) 9.766 4.722 ( 4.476 0.000 1.842) 4.840 4.723 ( 0.028 0.000 -4.607) 4.607 5.015 ( 0.676 0.000 4.690) 4.738 5.239 ( -7.676 0.000 -6.435) 10.017 5.239 ( -7.140 0.000 -8.983) 11.475 5.343 ( 0.641 0.000 -8.428) 8.452 5.442 ( -4.476 0.000 -8.166) 9.313 5.556 ( -1.136 0.000 -3.678) 3.850 5.683 ( -0.046 0.000 -9.457) 9.457 5.699 ( 1.901 0.000 -8.944) 9.144 5.812 ( 0.882 0.000 -6.745) 6.802 5.842 ( 2.889 0.000 -0.245) 2.900 6.040 ( 3.738 0.000 -1.327) 3.967 6.084 ( 1.501 0.000 -2.022) 2.518 6.137 ( -3.431 0.000 4.347) 5.538 6.190 ( -0.834 0.000 0.371) 0.913 6.342 ( -8.160 0.000 3.829) 9.014 6.392 ( 3.581 0.000 6.424) 7.355 6.426 ( -4.797 0.000 1.424) 5.004 6.561 ( 1.067 0.000 0.901) 1.397 6.820 ( -0.515 0.000 -2.929) 2.974 6.939 ( 7.768 0.000 -4.037) 8.754 6.944 ( -0.561 0.000 -0.082) 0.567 7.007 ( 2.841 0.000 0.032) 2.841 7.276 ( 5.042 0.000 0.318) 5.052 7.392 ( 1.347 0.000 4.224) 4.434 7.394 ( 1.772 0.000 -4.201) 4.559 7.704 ( 1.357 0.000 -2.255) 2.632 7.863 ( -1.751 0.000 -0.523) 1.828 7.909 ( 1.174 0.000 4.565) 4.714 7.981 ( -6.681 0.000 -3.163) 7.392 8.182 ( 0.111 0.000 0.891) 0.898 8.254 ( 1.211 0.000 -0.847) 1.477 8.376 ( -1.073 0.000 6.980) 7.062 8.464 ( -1.433 0.000 -8.064) 8.190 8.527 ( -9.945 0.000 3.386) 10.505 8.875 ( -4.121 0.000 -1.284) 4.316 8.945 ( 1.438 0.000 -2.090) 2.537 9.280 ( -2.346 0.000 -1.928) 3.037 9.363 ( -1.972 0.000 -4.515) 4.927 9.513 ( 2.396 0.000 0.765) 2.515 9.600 ( -0.984 0.000 -1.617) 1.893 9.804 ( -2.784 0.000 0.808) 2.899 9.825 ( -1.985 0.000 0.946) 2.199 10.165 ( -0.095 0.000 4.395) 4.396 10.171 ( -3.222 0.000 4.001) 5.137 10.274 ( -1.623 0.000 4.964) 5.222 10.316 ( 0.197 0.000 2.142) 2.151 10.518 ( 3.820 0.000 5.217) 6.467 10.707 ( 9.957 0.000 -3.194) 10.457 10.786 ( 11.214 0.000 0.797) 11.242 10.810 ( 7.189 0.000 7.123) 10.120 10.897 ( 6.868 0.000 6.877) 9.719 10.944 ( 3.078 0.000 -3.716) 4.825 10.995 ( 1.780 0.000 -0.840) 1.968 11.286 ( 1.342 0.000 -2.251) 2.620 11.305 ( 2.316 0.000 2.916) 3.724 11.526 ( 0.635 0.000 2.090) 2.184 11.755 ( -0.466 0.000 -3.285) 3.317 11.783 ( -3.423 0.000 1.960) 3.945 12.063 ( -0.853 0.000 -5.242) 5.311 12.065 ( 1.091 0.000 -7.965) 8.040 12.210 ( 1.094 0.000 5.275) 5.387 12.344 ( 2.382 0.000 -0.339) 2.405 12.420 ( 0.127 0.000 0.212) 0.247 12.513 ( 3.418 0.000 -1.680) 3.809 12.604 ( -0.756 0.000 1.499) 1.679 12.776 ( -1.360 0.000 -2.002) 2.420 13.312 ( 13.124 0.000 -4.123) 13.756 13.332 ( 13.947 0.000 -5.074) 14.841 13.499 ( 5.523 0.000 -7.032) 8.942 13.502 ( 8.631 0.000 -7.886) 11.691 14.120 ( 2.834 0.000 -4.972) 5.723 14.160 ( 2.887 0.000 -6.319) 6.947 14.332 ( 2.151 0.000 0.847) 2.312 14.382 ( 3.191 0.000 -0.258) 3.202 15.163 ( 4.705 0.000 8.022) 9.300 15.488 ( 3.423 0.000 -4.634) 5.761 16.228 ( -7.385 0.000 6.220) 9.655 16.350 ( -8.062 0.000 7.102) 10.744 16.558 ( -11.329 0.000 0.586) 11.344 16.636 ( -11.867 0.000 -7.346) 13.957 17.396 ( -11.564 0.000 2.687) 11.872 17.477 ( -10.750 0.000 0.917) 10.789 17.625 ( -6.130 0.000 -1.778) 6.383 17.699 ( -6.357 0.000 -3.276) 7.151 18.041 ( -7.461 0.000 -1.737) 7.660 18.068 ( -7.123 0.000 -2.080) 7.421 ======================= Grid point 83 (33/50) ======================= q-point: ( 0.22 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 82 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.384 ( 7.295 0.000 11.454) 13.580 1.840 ( -1.663 0.000 3.788) 4.137 2.059 ( 5.746 0.000 1.657) 5.981 2.184 ( 2.514 0.000 9.959) 10.271 2.284 ( 8.217 0.000 7.542) 11.153 2.321 ( 18.207 0.000 16.027) 24.256 2.357 ( 7.352 0.000 -2.389) 7.730 2.595 ( 17.449 0.000 8.676) 19.487 2.642 ( 6.530 0.000 10.441) 12.315 2.762 ( -3.879 0.000 10.508) 11.201 2.919 ( 6.594 0.000 9.473) 11.542 3.082 ( -0.852 0.000 1.077) 1.373 3.140 ( 2.506 0.000 -1.010) 2.702 3.294 ( 11.982 0.000 0.022) 11.982 3.394 ( 1.462 0.000 -9.534) 9.646 3.488 ( -2.706 0.000 3.923) 4.766 3.492 ( 4.680 0.000 0.639) 4.724 3.540 ( -0.456 0.000 5.983) 6.001 3.541 ( -0.218 0.000 -9.610) 9.613 3.687 ( 4.805 0.000 -1.033) 4.915 3.825 ( 0.281 0.000 -4.884) 4.892 3.826 ( 9.965 0.000 6.569) 11.935 3.884 ( -0.905 0.000 0.243) 0.937 3.979 ( 6.745 0.000 2.773) 7.292 4.064 ( 9.932 0.000 -3.014) 10.379 4.118 ( 3.302 0.000 1.662) 3.697 4.219 ( 1.927 0.000 -0.111) 1.931 4.237 ( 0.244 0.000 5.543) 5.548 4.423 ( 3.529 0.000 4.164) 5.458 4.448 ( -4.496 0.000 3.194) 5.515 4.607 ( 3.500 0.000 4.919) 6.037 4.680 ( -1.116 0.000 -5.961) 6.064 4.797 ( 8.069 0.000 -1.941) 8.299 4.817 ( 3.278 0.000 -0.077) 3.279 4.967 ( -5.829 0.000 0.128) 5.831 5.095 ( -4.697 0.000 -8.272) 9.512 5.174 ( 2.255 0.000 1.117) 2.516 5.325 ( -6.146 0.000 -2.377) 6.590 5.329 ( -2.069 0.000 -9.053) 9.287 5.553 ( -0.088 0.000 -4.083) 4.084 5.625 ( -5.204 0.000 -8.928) 10.334 5.727 ( 0.537 0.000 -7.944) 7.962 5.799 ( -2.720 0.000 -6.962) 7.474 5.898 ( 2.044 0.000 -2.469) 3.205 6.030 ( -7.237 0.000 4.314) 8.425 6.081 ( -9.325 0.000 0.525) 9.340 6.095 ( 2.508 0.000 1.873) 3.130 6.169 ( 5.093 0.000 -1.052) 5.201 6.225 ( -1.018 0.000 4.456) 4.571 6.385 ( -0.970 0.000 -3.692) 3.817 6.470 ( 3.778 0.000 5.566) 6.727 6.636 ( 5.606 0.000 4.152) 6.976 6.799 ( -1.701 0.000 -2.853) 3.322 6.958 ( 2.320 0.000 3.774) 4.430 7.031 ( 2.410 0.000 -4.688) 5.272 7.083 ( 4.523 0.000 0.525) 4.553 7.350 ( 0.744 0.000 2.732) 2.832 7.417 ( -0.190 0.000 -0.490) 0.525 7.438 ( 3.137 0.000 2.330) 3.908 7.738 ( 1.385 0.000 -0.709) 1.556 7.798 ( -7.611 0.000 -3.588) 8.414 7.829 ( -3.867 0.000 0.620) 3.916 7.995 ( 7.636 0.000 1.928) 7.876 8.188 ( 1.376 0.000 -0.064) 1.377 8.272 ( -9.941 0.000 5.817) 11.518 8.296 ( 2.135 0.000 -3.463) 4.068 8.372 ( -4.022 0.000 3.646) 5.429 8.443 ( -0.260 0.000 -8.060) 8.064 8.817 ( -0.801 0.000 1.568) 1.761 9.000 ( 3.548 0.000 -3.432) 4.936 9.214 ( -3.872 0.000 -0.777) 3.949 9.309 ( -3.435 0.000 -3.402) 4.835 9.567 ( 2.481 0.000 0.410) 2.515 9.598 ( 1.072 0.000 -0.395) 1.143 9.724 ( -5.034 0.000 1.858) 5.366 9.777 ( -2.725 0.000 0.201) 2.733 10.082 ( -5.197 0.000 4.563) 6.916 10.177 ( 1.235 0.000 4.046) 4.231 10.219 ( -3.706 0.000 3.503) 5.100 10.309 ( -0.693 0.000 1.662) 1.801 10.621 ( 5.883 0.000 5.995) 8.399 10.825 ( 1.872 0.000 -2.142) 2.845 10.960 ( 5.644 0.000 -1.152) 5.760 10.962 ( 6.385 0.000 5.756) 8.597 11.042 ( 3.794 0.000 2.915) 4.784 11.060 ( 7.579 0.000 5.637) 9.445 11.091 ( 8.141 0.000 -2.094) 8.406 11.337 ( 3.880 0.000 -1.132) 4.041 11.374 ( 3.772 0.000 2.303) 4.420 11.581 ( 5.293 0.000 3.403) 6.293 11.698 ( -4.601 0.000 1.408) 4.812 11.814 ( 7.791 0.000 -1.580) 7.950 12.005 ( -4.513 0.000 -2.367) 5.096 12.067 ( -0.554 0.000 -2.358) 2.422 12.259 ( 3.049 0.000 0.352) 3.069 12.382 ( 1.554 0.000 -2.249) 2.733 12.437 ( 1.059 0.000 -1.760) 2.054 12.576 ( 2.719 0.000 -2.860) 3.946 12.596 ( -0.466 0.000 0.721) 0.859 12.750 ( -1.524 0.000 -2.574) 2.992 13.618 ( 5.506 0.000 -2.203) 5.930 13.676 ( 7.262 0.000 -3.737) 8.167 13.682 ( 23.300 0.000 -4.222) 23.679 13.720 ( 23.854 0.000 -6.461) 24.713 14.221 ( 7.491 0.000 -2.313) 7.840 14.260 ( 7.503 0.000 -4.066) 8.534 14.380 ( 1.670 0.000 0.214) 1.683 14.439 ( 1.402 0.000 -0.057) 1.403 15.320 ( 11.119 0.000 1.853) 11.273 15.607 ( 8.444 0.000 -9.182) 12.474 16.023 ( -12.473 0.000 5.573) 13.661 16.154 ( -10.078 0.000 4.383) 10.990 16.292 ( -13.189 0.000 -0.476) 13.198 16.312 ( -19.342 0.000 -3.283) 19.618 17.069 ( -20.578 0.000 1.753) 20.653 17.162 ( -20.248 0.000 -0.095) 20.248 17.459 ( -9.887 0.000 -1.981) 10.083 17.522 ( -10.716 0.000 -3.516) 11.278 17.832 ( -13.014 0.000 -2.677) 13.286 17.865 ( -12.746 0.000 -3.438) 13.201 ======================= Grid point 84 (34/50) ======================= q-point: ( 0.33 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 82 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.529 ( 6.927 0.000 7.802) 10.433 1.803 ( -2.167 0.000 4.441) 4.941 2.211 ( 8.855 0.000 0.121) 8.855 2.244 ( 3.877 0.000 6.358) 7.447 2.426 ( 5.929 0.000 -7.577) 9.621 2.540 ( 9.869 0.000 10.200) 14.193 2.619 ( -3.027 0.000 -2.843) 4.153 2.659 ( 9.648 0.000 18.602) 20.955 2.771 ( 6.072 0.000 4.838) 7.763 2.933 ( 13.568 0.000 10.817) 17.352 3.017 ( -4.871 0.000 -1.283) 5.037 3.111 ( 11.563 0.000 6.990) 13.511 3.180 ( 0.403 0.000 0.803) 0.898 3.272 ( -9.764 0.000 0.723) 9.790 3.344 ( -4.117 0.000 -1.235) 4.299 3.528 ( -0.639 0.000 3.755) 3.809 3.568 ( 0.949 0.000 -1.786) 2.022 3.607 ( 13.167 0.000 1.666) 13.272 3.618 ( 3.880 0.000 -2.482) 4.606 3.773 ( -1.077 0.000 -1.188) 1.604 3.802 ( 4.582 0.000 -0.466) 4.606 3.885 ( -3.285 0.000 -0.794) 3.380 4.009 ( -8.314 0.000 6.789) 10.734 4.043 ( 4.686 0.000 -1.335) 4.872 4.072 ( 12.941 0.000 0.542) 12.952 4.272 ( 10.653 0.000 -2.789) 11.012 4.315 ( -3.344 0.000 1.778) 3.787 4.383 ( 7.884 0.000 -1.588) 8.043 4.416 ( 6.178 0.000 5.534) 8.294 4.553 ( 7.587 0.000 -0.106) 7.588 4.643 ( -1.875 0.000 -6.630) 6.890 4.697 ( 7.300 0.000 0.225) 7.304 4.801 ( -1.750 0.000 -5.507) 5.779 4.832 ( -4.797 0.000 -4.928) 6.877 4.972 ( 7.236 0.000 -1.784) 7.453 5.108 ( 3.689 0.000 -5.484) 6.610 5.218 ( -3.672 0.000 2.232) 4.297 5.239 ( 0.887 0.000 3.788) 3.891 5.304 ( 2.093 0.000 -7.081) 7.384 5.461 ( -9.675 0.000 -8.354) 12.783 5.570 ( 0.014 0.000 -2.017) 2.017 5.688 ( -5.467 0.000 -6.595) 8.567 5.703 ( -5.830 0.000 -5.294) 7.875 5.878 ( -6.257 0.000 3.213) 7.034 5.905 ( -1.610 0.000 -4.831) 5.093 5.934 ( -4.805 0.000 0.021) 4.805 6.154 ( 3.206 0.000 3.439) 4.702 6.225 ( 0.718 0.000 3.779) 3.847 6.243 ( 2.040 0.000 1.148) 2.340 6.365 ( -1.501 0.000 -3.137) 3.477 6.542 ( 3.530 0.000 5.665) 6.675 6.754 ( -2.715 0.000 0.464) 2.754 6.772 ( 7.709 0.000 4.726) 9.042 7.043 ( 5.987 0.000 4.732) 7.631 7.062 ( 0.936 0.000 -2.255) 2.441 7.181 ( 5.126 0.000 0.711) 5.175 7.315 ( -3.338 0.000 3.239) 4.651 7.374 ( -3.698 0.000 1.387) 3.949 7.482 ( -0.424 0.000 0.633) 0.762 7.599 ( -9.076 0.000 0.933) 9.124 7.763 ( 0.395 0.000 -1.131) 1.198 7.842 ( 4.725 0.000 -2.013) 5.136 8.078 ( -8.757 0.000 6.452) 10.877 8.165 ( 7.340 0.000 -0.547) 7.360 8.260 ( 5.917 0.000 -2.504) 6.425 8.278 ( -5.861 0.000 -0.307) 5.869 8.324 ( 0.767 0.000 -4.495) 4.560 8.455 ( 1.042 0.000 -7.538) 7.610 8.850 ( 3.822 0.000 3.818) 5.402 9.063 ( 1.970 0.000 -2.964) 3.559 9.140 ( -3.001 0.000 0.732) 3.089 9.232 ( -4.064 0.000 -1.649) 4.386 9.599 ( 1.112 0.000 0.299) 1.151 9.623 ( -4.244 0.000 2.358) 4.855 9.637 ( 1.733 0.000 -0.677) 1.861 9.714 ( -3.554 0.000 -0.694) 3.621 9.989 ( -3.271 0.000 5.188) 6.133 10.133 ( -4.633 0.000 2.825) 5.426 10.209 ( 1.752 0.000 2.646) 3.173 10.292 ( -1.009 0.000 1.057) 1.462 10.734 ( 4.747 0.000 4.044) 6.236 10.835 ( -0.294 0.000 -0.380) 0.480 11.041 ( 2.234 0.000 4.290) 4.837 11.047 ( 3.560 0.000 0.716) 3.632 11.100 ( 1.629 0.000 2.363) 2.870 11.179 ( 1.460 0.000 0.132) 1.466 11.217 ( 7.395 0.000 7.918) 10.834 11.429 ( 4.169 0.000 1.275) 4.360 11.434 ( 2.625 0.000 5.413) 6.016 11.621 ( -2.271 0.000 0.183) 2.279 11.690 ( 2.707 0.000 2.827) 3.914 11.898 ( -5.915 0.000 -2.178) 6.304 12.030 ( 9.323 0.000 0.629) 9.344 12.116 ( 9.667 0.000 1.078) 9.727 12.322 ( 3.294 0.000 -2.278) 4.005 12.420 ( 2.406 0.000 -2.281) 3.316 12.439 ( -1.373 0.000 -1.305) 1.894 12.567 ( -2.466 0.000 -2.555) 3.551 12.611 ( 0.293 0.000 -2.485) 2.502 12.698 ( -3.807 0.000 -3.943) 5.480 13.721 ( 5.691 0.000 0.023) 5.691 13.788 ( 4.932 0.000 -0.806) 4.997 14.201 ( 25.511 0.000 -2.286) 25.613 14.227 ( 24.798 0.000 -3.456) 25.038 14.344 ( -6.300 0.000 -0.940) 6.370 14.390 ( -7.016 0.000 -0.981) 7.084 14.418 ( 11.872 0.000 -0.120) 11.873 14.485 ( 15.319 0.000 -2.880) 15.587 15.593 ( 14.980 0.000 -2.198) 15.140 15.766 ( -11.456 0.000 3.933) 12.113 15.808 ( 10.582 0.000 -8.589) 13.629 15.915 ( -18.343 0.000 0.286) 18.345 16.006 ( -3.688 0.000 1.673) 4.050 16.098 ( -5.202 0.000 -2.242) 5.665 16.591 ( -26.454 0.000 -0.019) 26.454 16.682 ( -26.969 0.000 -1.538) 27.013 17.257 ( -9.250 0.000 -2.735) 9.645 17.302 ( -10.103 0.000 -4.452) 11.040 17.540 ( -15.333 0.000 -4.010) 15.849 17.581 ( -14.801 0.000 -5.323) 15.729 ======================= Grid point 85 (35/50) ======================= q-point: ( 0.44 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 82 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.655 ( 5.454 0.000 5.661) 7.861 1.746 ( -3.626 0.000 4.828) 6.038 2.343 ( 5.911 0.000 3.255) 6.748 2.386 ( 7.873 0.000 -3.031) 8.436 2.477 ( -7.289 0.000 1.334) 7.410 2.487 ( -1.082 0.000 -7.007) 7.090 2.731 ( 9.001 0.000 5.302) 10.447 2.892 ( 10.603 0.000 10.238) 14.739 2.892 ( -4.315 0.000 1.218) 4.484 2.904 ( 4.737 0.000 1.865) 5.091 3.076 ( -5.923 0.000 5.948) 8.394 3.078 ( -9.451 0.000 0.758) 9.482 3.167 ( 5.918 0.000 10.540) 12.087 3.262 ( -1.138 0.000 6.752) 6.847 3.347 ( 6.201 0.000 -1.437) 6.366 3.458 ( -5.112 0.000 -0.568) 5.144 3.617 ( 5.447 0.000 2.115) 5.843 3.690 ( 3.536 0.000 2.318) 4.228 3.758 ( -1.481 0.000 0.252) 1.503 3.761 ( -7.463 0.000 -0.058) 7.463 3.803 ( 2.554 0.000 -2.146) 3.336 3.841 ( -0.640 0.000 -1.547) 1.675 3.962 ( 7.212 0.000 8.144) 10.878 4.149 ( -8.910 0.000 2.229) 9.184 4.205 ( 9.482 0.000 -1.838) 9.659 4.324 ( 9.632 0.000 -1.256) 9.713 4.357 ( -3.720 0.000 1.115) 3.884 4.473 ( -3.961 0.000 -2.340) 4.600 4.503 ( 5.077 0.000 -7.018) 8.662 4.581 ( -2.693 0.000 -8.822) 9.224 4.663 ( 4.351 0.000 -2.537) 5.037 4.746 ( -3.816 0.000 -2.992) 4.849 4.868 ( 10.783 0.000 -1.994) 10.966 4.962 ( 10.517 0.000 -4.955) 11.626 5.096 ( -3.092 0.000 -2.019) 3.693 5.122 ( 7.155 0.000 -0.390) 7.166 5.222 ( -2.225 0.000 3.099) 3.815 5.233 ( -11.227 0.000 -5.497) 12.501 5.256 ( 6.039 0.000 2.048) 6.377 5.375 ( 4.474 0.000 -8.167) 9.313 5.452 ( -10.963 0.000 -2.522) 11.249 5.522 ( -9.429 0.000 -7.027) 11.759 5.707 ( 5.578 0.000 -2.919) 6.296 5.821 ( 0.718 0.000 2.780) 2.871 5.831 ( -5.565 0.000 -4.997) 7.479 5.867 ( -2.834 0.000 1.169) 3.066 6.215 ( 2.636 0.000 3.757) 4.590 6.252 ( -0.906 0.000 2.824) 2.966 6.257 ( 2.525 0.000 2.148) 3.316 6.317 ( -3.046 0.000 -0.611) 3.107 6.615 ( 3.798 0.000 5.386) 6.590 6.691 ( -3.548 0.000 3.722) 5.142 6.933 ( 7.766 0.000 3.824) 8.657 7.051 ( -3.085 0.000 1.155) 3.294 7.185 ( 7.623 0.000 4.187) 8.697 7.259 ( -0.923 0.000 2.296) 2.475 7.275 ( 2.498 0.000 1.666) 3.002 7.294 ( -3.646 0.000 1.512) 3.947 7.401 ( -4.436 0.000 0.799) 4.507 7.452 ( -5.963 0.000 -1.031) 6.051 7.814 ( 4.349 0.000 2.301) 4.920 7.924 ( -6.493 0.000 4.947) 8.163 7.977 ( 7.906 0.000 -2.808) 8.390 8.139 ( -7.803 0.000 -2.311) 8.138 8.268 ( 3.547 0.000 -3.106) 4.715 8.314 ( -1.040 0.000 -3.878) 4.015 8.398 ( 5.430 0.000 -4.933) 7.336 8.461 ( -0.969 0.000 -6.187) 6.262 8.952 ( 5.773 0.000 3.421) 6.711 9.052 ( -3.320 0.000 0.366) 3.340 9.111 ( 0.381 0.000 1.675) 1.717 9.154 ( -3.445 0.000 0.599) 3.497 9.585 ( 0.782 0.000 0.579) 0.973 9.620 ( 1.114 0.000 -0.182) 1.129 9.638 ( -3.762 0.000 -0.926) 3.874 9.643 ( -0.896 0.000 -0.775) 1.185 9.976 ( 1.860 0.000 4.552) 4.917 10.042 ( -4.247 0.000 3.244) 5.344 10.243 ( 1.541 0.000 1.575) 2.203 10.270 ( -1.184 0.000 1.018) 1.562 10.799 ( 1.899 0.000 1.423) 2.373 10.823 ( -0.789 0.000 0.215) 0.817 11.076 ( 1.515 0.000 3.888) 4.173 11.103 ( -0.960 0.000 3.422) 3.554 11.116 ( 3.401 0.000 1.667) 3.788 11.173 ( -1.882 0.000 1.310) 2.293 11.350 ( 5.750 0.000 6.435) 8.630 11.441 ( -2.945 0.000 4.606) 5.467 11.517 ( 5.927 0.000 7.947) 9.914 11.645 ( -5.754 0.000 5.652) 8.066 11.653 ( 5.100 0.000 -1.717) 5.381 11.774 ( -6.307 0.000 -2.046) 6.631 12.204 ( 9.054 0.000 2.808) 9.480 12.352 ( -0.119 0.000 0.048) 0.128 12.388 ( 6.276 0.000 1.792) 6.526 12.394 ( 3.922 0.000 -3.437) 5.215 12.460 ( -0.763 0.000 -1.469) 1.655 12.526 ( 0.965 0.000 -5.976) 6.054 12.562 ( -5.739 0.000 -0.264) 5.745 12.605 ( -5.022 0.000 -4.775) 6.929 13.884 ( 10.804 0.000 -1.936) 10.976 13.927 ( 9.678 0.000 -1.969) 9.876 14.138 ( -12.771 0.000 -2.353) 12.986 14.174 ( -13.083 0.000 -2.270) 13.278 14.576 ( 12.960 0.000 2.122) 13.133 14.628 ( 11.282 0.000 2.234) 11.501 14.680 ( 10.415 0.000 0.036) 10.415 14.763 ( 5.623 0.000 -0.424) 5.639 15.697 ( 8.926 0.000 -1.330) 9.025 15.707 ( 2.884 0.000 0.433) 2.917 15.862 ( 10.385 0.000 -1.673) 10.519 15.976 ( -1.069 0.000 0.252) 1.098 15.988 ( 5.979 0.000 -4.195) 7.304 16.046 ( -25.983 0.000 -1.609) 26.033 16.055 ( -1.058 0.000 -2.399) 2.622 16.118 ( -27.685 0.000 -2.867) 27.833 17.137 ( -1.331 0.000 -3.925) 4.144 17.176 ( -1.649 0.000 -6.153) 6.370 17.263 ( -10.029 0.000 -5.595) 11.484 17.310 ( -10.819 0.000 -7.334) 13.070 ======================= Grid point 90 (36/50) ======================= q-point: ( 0.00 0.33 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 70 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.368 ( 0.000 14.745 11.184) 18.506 1.711 ( 0.000 -18.348 2.196) 18.479 1.845 ( 0.000 5.369 21.553) 22.212 1.938 ( 0.000 1.696 4.555) 4.860 2.021 ( 0.000 -0.752 13.111) 13.132 2.075 ( 0.000 6.646 22.263) 23.234 2.156 ( 0.000 -7.672 -4.609) 8.950 2.263 ( 0.000 -10.595 20.784) 23.328 2.490 ( 0.000 14.288 3.681) 14.755 2.717 ( 0.000 -8.842 8.058) 11.963 2.964 ( 0.000 12.600 11.302) 16.926 3.014 ( 0.000 5.709 1.862) 6.005 3.032 ( 0.000 -1.001 -5.005) 5.104 3.146 ( 0.000 3.249 2.778) 4.275 3.247 ( 0.000 -3.918 -5.466) 6.725 3.258 ( 0.000 -8.099 2.518) 8.481 3.472 ( 0.000 0.839 -0.110) 0.846 3.476 ( 0.000 -0.989 15.477) 15.508 3.556 ( 0.000 -1.468 -3.278) 3.592 3.560 ( 0.000 -3.456 -2.821) 4.461 3.676 ( 0.000 -0.617 2.622) 2.694 3.711 ( 0.000 -5.094 -4.760) 6.972 3.830 ( 0.000 3.989 -7.297) 8.316 3.910 ( 0.000 -2.711 -8.296) 8.727 4.015 ( 0.000 6.575 5.123) 8.335 4.046 ( 0.000 3.611 2.080) 4.168 4.251 ( 0.000 2.490 1.911) 3.139 4.324 ( 0.000 1.565 8.151) 8.299 4.347 ( 0.000 -6.647 6.032) 8.975 4.377 ( 0.000 -2.631 6.621) 7.124 4.621 ( 0.000 3.063 8.077) 8.639 4.660 ( 0.000 -1.264 3.836) 4.039 4.672 ( 0.000 1.678 -3.381) 3.774 4.702 ( 0.000 -1.188 -4.614) 4.765 5.086 ( 0.000 7.647 4.927) 9.097 5.246 ( 0.000 -6.664 -2.610) 7.157 5.281 ( 0.000 -2.386 -10.595) 10.861 5.292 ( 0.000 -3.630 -4.628) 5.882 5.535 ( 0.000 4.476 -12.120) 12.920 5.604 ( 0.000 -1.939 -12.402) 12.553 5.678 ( 0.000 3.260 -11.217) 11.681 5.710 ( 0.000 1.312 -1.103) 1.714 5.785 ( 0.000 -0.340 -8.491) 8.497 5.799 ( 0.000 -0.557 0.630) 0.840 5.989 ( 0.000 -0.210 -1.194) 1.213 6.022 ( 0.000 -3.509 -1.301) 3.743 6.232 ( 0.000 2.322 0.869) 2.479 6.239 ( 0.000 3.413 2.812) 4.422 6.354 ( 0.000 3.467 6.630) 7.481 6.450 ( 0.000 4.536 -0.827) 4.611 6.468 ( 0.000 -4.106 9.348) 10.210 6.581 ( 0.000 -8.990 -4.355) 9.989 6.752 ( 0.000 3.463 -0.363) 3.482 6.820 ( 0.000 -2.173 -3.348) 3.992 6.938 ( 0.000 -0.548 -0.468) 0.720 6.954 ( 0.000 -1.341 1.128) 1.752 7.254 ( 0.000 3.187 -4.739) 5.711 7.328 ( 0.000 -3.666 -6.238) 7.235 7.512 ( 0.000 10.070 5.318) 11.388 7.667 ( 0.000 -4.001 2.188) 4.560 7.882 ( 0.000 0.252 -0.731) 0.773 7.894 ( 0.000 -0.913 0.972) 1.334 8.065 ( 0.000 2.367 -2.060) 3.138 8.135 ( 0.000 -3.570 -0.754) 3.649 8.313 ( 0.000 5.393 -0.466) 5.413 8.403 ( 0.000 -0.700 2.428) 2.527 8.464 ( 0.000 1.077 -0.690) 1.279 8.581 ( 0.000 -7.088 3.963) 8.121 8.807 ( 0.000 -3.724 -3.732) 5.272 8.840 ( 0.000 -5.743 -2.339) 6.201 9.400 ( 0.000 4.347 -0.483) 4.374 9.453 ( 0.000 -0.529 -2.047) 2.115 9.553 ( 0.000 7.766 -1.114) 7.846 9.647 ( 0.000 2.563 -5.829) 6.367 9.829 ( 0.000 -0.392 1.118) 1.185 9.858 ( 0.000 -0.287 0.177) 0.337 10.138 ( 0.000 -0.957 4.356) 4.460 10.158 ( 0.000 -2.848 3.423) 4.452 10.322 ( 0.000 1.095 3.944) 4.093 10.323 ( 0.000 1.285 4.774) 4.944 10.526 ( 0.000 0.875 0.168) 0.891 10.539 ( 0.000 0.273 2.708) 2.722 10.633 ( 0.000 0.478 1.616) 1.685 10.694 ( 0.000 -3.482 4.755) 5.894 10.847 ( 0.000 1.804 5.559) 5.845 10.891 ( 0.000 -2.574 -0.479) 2.619 11.058 ( 0.000 6.689 -0.911) 6.751 11.186 ( 0.000 -5.599 -0.329) 5.608 11.368 ( 0.000 4.906 0.783) 4.968 11.470 ( 0.000 -4.864 1.268) 5.027 11.766 ( 0.000 3.176 -5.396) 6.261 11.885 ( 0.000 -7.966 -8.067) 11.337 11.952 ( 0.000 8.794 2.147) 9.052 12.119 ( 0.000 -6.779 4.598) 8.191 12.209 ( 0.000 5.560 -4.666) 7.258 12.291 ( 0.000 -2.179 -1.728) 2.781 12.428 ( 0.000 -0.222 1.085) 1.108 12.440 ( 0.000 -1.318 1.680) 2.135 12.659 ( 0.000 3.703 -0.609) 3.753 12.745 ( 0.000 -4.391 -1.968) 4.812 13.177 ( 0.000 0.335 -3.890) 3.905 13.184 ( 0.000 -0.325 -3.434) 3.449 13.422 ( 0.000 1.442 -8.572) 8.693 13.439 ( 0.000 -0.153 -8.735) 8.737 14.102 ( 0.000 0.778 -6.235) 6.283 14.121 ( 0.000 -0.957 -6.768) 6.836 14.338 ( 0.000 1.895 0.080) 1.897 14.354 ( 0.000 0.348 -0.433) 0.555 15.173 ( 0.000 5.864 9.221) 10.927 15.341 ( 0.000 -9.584 3.150) 10.089 16.320 ( 0.000 1.970 4.671) 5.069 16.383 ( 0.000 -3.968 5.331) 6.646 16.740 ( 0.000 4.153 -0.784) 4.226 16.781 ( 0.000 0.522 -4.999) 5.026 17.501 ( 0.000 -0.054 1.606) 1.607 17.539 ( 0.000 -3.377 0.842) 3.480 17.726 ( 0.000 2.635 -1.420) 2.993 17.763 ( 0.000 -0.777 -2.137) 2.274 18.125 ( 0.000 0.608 -1.460) 1.581 18.137 ( 0.000 -0.411 -1.429) 1.486 ======================= Grid point 91 (37/50) ======================= q-point: ( 0.11 0.33 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 122 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.400 ( 3.454 13.310 10.722) 17.437 1.722 ( 1.738 -17.849 3.548) 18.281 1.933 ( 0.871 5.619 4.848) 7.472 2.014 ( 11.030 3.783 13.181) 17.599 2.087 ( 3.098 -1.663 11.584) 12.106 2.179 ( 10.629 3.187 16.142) 19.588 2.187 ( 8.960 -4.507 9.158) 13.582 2.350 ( 6.887 -11.081 16.229) 20.823 2.536 ( 4.241 15.009 1.825) 15.703 2.762 ( 3.763 -6.603 9.553) 12.208 2.956 ( -1.311 5.281 1.972) 5.788 3.006 ( -1.782 -1.174 -0.947) 2.334 3.085 ( 5.948 7.797 7.427) 12.302 3.200 ( 3.568 3.950 0.866) 5.393 3.278 ( 4.367 -5.175 -3.613) 7.675 3.323 ( 5.678 -7.736 1.315) 9.686 3.478 ( 2.097 1.182 2.398) 3.398 3.494 ( 0.772 -1.150 4.239) 4.460 3.563 ( 0.537 -0.049 1.306) 1.413 3.600 ( 3.533 -1.903 -5.099) 6.489 3.729 ( 2.273 -2.650 -3.758) 5.130 3.733 ( 4.279 -2.998 2.391) 5.746 3.850 ( 2.738 3.050 -3.639) 5.481 3.905 ( -0.909 -1.661 -5.763) 6.066 3.994 ( -0.148 5.964 2.555) 6.490 4.056 ( 0.965 0.595 0.943) 1.475 4.262 ( -0.215 3.305 4.230) 5.372 4.304 ( -1.176 1.672 5.277) 5.659 4.375 ( 1.167 -1.878 5.988) 6.383 4.408 ( 4.753 -6.200 5.774) 9.714 4.609 ( -4.725 3.390 -0.957) 5.893 4.674 ( 1.159 0.357 -0.876) 1.496 4.694 ( 2.561 -0.848 2.144) 3.446 4.714 ( 4.112 -0.808 2.963) 5.133 5.087 ( -0.606 5.965 2.418) 6.465 5.185 ( -4.372 -3.201 -6.215) 8.246 5.237 ( -4.413 -0.461 -8.431) 9.528 5.288 ( -1.038 -4.194 -2.702) 5.096 5.500 ( -3.014 4.625 -11.075) 12.374 5.579 ( -1.488 -1.380 -9.060) 9.285 5.661 ( -0.643 1.080 -6.725) 6.841 5.715 ( -0.466 -0.729 -4.830) 4.907 5.806 ( 1.879 1.234 -6.805) 7.167 5.851 ( 3.061 -0.069 -2.340) 3.854 5.991 ( 0.055 -2.338 -0.072) 2.340 6.020 ( 0.328 -4.016 -0.934) 4.137 6.183 ( -4.259 2.954 2.082) 5.586 6.219 ( -2.989 0.177 0.277) 3.007 6.354 ( -2.609 2.176 4.149) 5.362 6.392 ( -0.827 -0.578 6.018) 6.102 6.484 ( 0.013 4.101 -0.354) 4.117 6.545 ( 1.387 -1.804 -0.355) 2.303 6.811 ( 0.652 -0.102 -2.087) 2.189 6.856 ( 3.502 -4.665 -0.543) 5.858 6.968 ( 3.419 1.074 -0.817) 3.676 6.994 ( 3.378 -1.245 0.133) 3.603 7.296 ( 3.878 2.658 -2.464) 5.308 7.359 ( 2.512 -2.976 -3.960) 5.554 7.519 ( 0.835 9.159 4.415) 10.202 7.667 ( 0.111 -4.641 2.065) 5.080 7.871 ( -1.000 1.318 -0.959) 1.913 7.906 ( 0.644 -1.455 0.632) 1.712 8.015 ( -4.411 4.508 -2.332) 6.725 8.131 ( -0.314 -5.523 -1.429) 5.714 8.262 ( -4.300 2.366 1.252) 5.065 8.349 ( -6.129 -5.412 -0.448) 8.189 8.452 ( 0.029 4.279 4.146) 5.958 8.542 ( -2.451 -2.327 1.474) 3.687 8.804 ( 0.002 -1.793 -2.468) 3.050 8.858 ( 2.072 -5.600 -3.028) 6.694 9.364 ( -3.608 4.022 -1.519) 5.612 9.398 ( -4.207 0.478 -2.487) 4.910 9.570 ( 1.314 4.656 0.015) 4.838 9.629 ( -0.950 2.411 -3.327) 4.217 9.799 ( -2.817 0.125 1.028) 3.001 9.835 ( -2.263 -0.593 0.081) 2.341 10.120 ( -1.221 -1.253 4.988) 5.286 10.141 ( -1.395 -2.650 3.611) 4.691 10.308 ( -1.049 1.695 4.988) 5.372 10.324 ( -0.384 0.139 4.024) 4.044 10.577 ( 4.274 5.777 2.693) 7.674 10.697 ( 9.904 -3.839 -0.894) 10.660 10.718 ( 6.869 -1.040 -1.344) 7.076 10.763 ( 6.936 -4.150 1.912) 8.305 10.910 ( 5.725 0.866 6.580) 8.765 10.929 ( 4.358 -0.706 2.031) 4.860 11.105 ( 5.125 7.282 -0.630) 8.927 11.224 ( 3.949 -4.470 -0.206) 5.968 11.371 ( 0.579 4.546 0.924) 4.675 11.470 ( 0.392 -4.797 1.700) 5.104 11.755 ( -0.359 3.533 -4.186) 5.489 11.871 ( -1.911 -4.152 -4.644) 6.516 11.931 ( -1.273 4.066 0.493) 4.289 12.081 ( -3.282 -6.616 3.643) 8.235 12.248 ( 3.039 4.963 -3.862) 6.985 12.323 ( 2.339 -2.252 -1.793) 3.710 12.441 ( 1.723 1.629 0.586) 2.442 12.480 ( 2.861 -2.301 -0.161) 3.675 12.648 ( -0.510 3.690 -0.414) 3.748 12.730 ( -0.944 -3.991 -1.675) 4.430 13.314 ( 13.059 0.320 -4.391) 13.781 13.325 ( 13.517 -0.631 -4.832) 14.369 13.508 ( 6.140 0.593 -7.176) 9.463 13.510 ( 7.716 0.441 -7.462) 10.743 14.129 ( 2.840 0.811 -5.238) 6.013 14.148 ( 2.861 -1.014 -5.872) 6.610 14.363 ( 2.377 2.247 0.318) 3.287 14.387 ( 2.921 0.010 -0.177) 2.927 15.216 ( 4.540 5.627 6.191) 9.518 15.376 ( 3.833 -9.206 0.231) 9.975 16.249 ( -6.799 2.096 4.274) 8.300 16.307 ( -7.242 -3.359 4.682) 9.255 16.609 ( -12.251 3.732 -0.313) 12.810 16.650 ( -12.480 0.063 -3.827) 13.054 17.393 ( -10.683 0.552 1.627) 10.820 17.435 ( -10.359 -3.192 0.744) 10.865 17.656 ( -6.616 2.396 -1.682) 7.234 17.693 ( -6.676 -0.985 -2.443) 7.177 18.049 ( -7.435 0.681 -1.792) 7.678 18.063 ( -7.260 -0.566 -1.965) 7.542 ======================= Grid point 92 (38/50) ======================= q-point: ( 0.22 0.33 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 122 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.505 ( 6.606 11.488 8.364) 15.671 1.789 ( 4.494 -14.835 3.166) 15.821 1.932 ( 0.576 4.584 3.535) 5.817 2.071 ( 0.631 -7.284 3.527) 8.118 2.336 ( 12.263 4.151 14.783) 19.651 2.388 ( 13.823 3.120 12.366) 18.808 2.519 ( 10.437 -2.851 13.643) 17.412 2.533 ( 18.488 -2.397 10.231) 21.265 2.645 ( 6.555 11.900 -0.530) 13.597 2.820 ( -0.071 3.721 9.637) 10.331 2.908 ( -1.199 -3.388 2.376) 4.308 2.982 ( 0.328 -11.345 -1.306) 11.425 3.178 ( 0.898 8.223 3.342) 8.922 3.280 ( 3.541 -1.101 -3.719) 5.252 3.363 ( 2.703 -2.610 1.929) 4.224 3.438 ( 2.755 -4.148 3.764) 6.242 3.533 ( 5.160 2.813 -1.242) 6.007 3.573 ( 5.259 3.913 -1.526) 6.731 3.599 ( 3.995 -0.070 1.912) 4.430 3.676 ( 4.438 -2.765 -4.590) 6.958 3.756 ( 2.593 1.264 2.271) 3.672 3.833 ( 4.052 -0.801 -3.398) 5.348 3.860 ( -1.523 -0.410 -0.767) 1.753 3.947 ( 3.275 -5.031 0.196) 6.006 4.080 ( 7.780 2.467 -0.841) 8.205 4.112 ( 6.004 -1.338 -1.549) 6.344 4.259 ( 0.683 4.184 4.691) 6.323 4.280 ( 0.557 1.789 5.205) 5.532 4.422 ( 2.200 0.842 5.602) 6.077 4.503 ( 3.672 -6.936 4.911) 9.258 4.521 ( -2.253 5.794 -1.279) 6.347 4.635 ( -2.023 -4.715 -5.094) 7.230 4.802 ( 4.010 1.007 1.634) 4.445 4.825 ( 6.663 -0.583 3.480) 7.539 5.019 ( -5.453 4.082 -9.140) 11.399 5.089 ( -3.759 -1.868 -10.945) 11.722 5.203 ( 1.652 2.351 2.880) 4.068 5.244 ( -2.810 -2.585 0.151) 3.821 5.434 ( -3.483 5.834 -8.141) 10.603 5.543 ( -2.467 -3.585 -6.799) 8.073 5.638 ( -2.079 2.736 -5.466) 6.456 5.707 ( -0.262 -2.575 -4.751) 5.411 5.809 ( -2.157 2.370 -5.781) 6.610 5.881 ( -1.314 -2.279 -2.306) 3.498 5.979 ( -1.514 -2.455 1.930) 3.470 6.023 ( -1.469 -4.894 -0.390) 5.125 6.089 ( -4.136 2.494 0.411) 4.847 6.140 ( -1.877 -2.314 -1.130) 3.187 6.324 ( 0.421 6.211 3.691) 7.237 6.414 ( 1.814 -1.895 1.330) 2.941 6.497 ( 1.062 5.048 1.392) 5.343 6.600 ( 3.002 -3.987 1.342) 5.168 6.824 ( 1.237 3.162 0.042) 3.396 6.910 ( 2.736 -4.394 2.210) 5.628 7.041 ( 3.250 1.140 -1.762) 3.869 7.068 ( 3.857 -1.260 -0.208) 4.063 7.368 ( 1.830 1.525 1.636) 2.890 7.392 ( 0.191 -0.714 0.410) 0.845 7.546 ( 1.408 7.248 2.319) 7.739 7.680 ( 0.642 -5.540 1.546) 5.787 7.833 ( -2.788 1.806 -1.914) 3.834 7.840 ( -6.560 1.932 -2.167) 7.174 8.002 ( 3.509 0.761 -0.198) 3.596 8.114 ( -2.371 -8.721 -2.024) 9.261 8.182 ( -2.557 -0.224 1.824) 3.149 8.234 ( -2.242 -3.030 2.267) 4.398 8.461 ( 0.453 4.957 1.187) 5.117 8.510 ( -0.635 1.246 -2.055) 2.486 8.824 ( 2.077 2.436 -0.623) 3.261 8.919 ( 3.685 -5.952 -2.957) 7.600 9.268 ( -5.442 2.882 -1.664) 6.379 9.304 ( -5.138 -0.966 -2.826) 5.943 9.596 ( 1.091 2.613 0.929) 2.980 9.630 ( 0.863 2.096 -0.620) 2.349 9.722 ( -4.550 0.335 1.351) 4.758 9.770 ( -4.169 -1.695 -0.100) 4.502 10.083 ( -2.175 1.031 4.833) 5.400 10.129 ( 0.265 -2.707 3.767) 4.646 10.278 ( -2.243 2.583 3.314) 4.763 10.303 ( -1.518 -0.463 2.778) 3.200 10.667 ( 4.873 4.920 4.157) 8.077 10.793 ( 2.608 -5.413 0.569) 6.035 10.860 ( 4.720 -1.616 -1.297) 5.155 10.903 ( 4.484 -5.312 -0.637) 6.981 11.040 ( 6.646 2.429 5.749) 9.117 11.067 ( 7.951 -0.065 6.432) 10.227 11.252 ( 7.464 6.283 -0.489) 9.769 11.326 ( 4.793 -2.295 0.057) 5.314 11.398 ( 2.041 5.352 0.757) 5.777 11.526 ( 5.982 -5.096 1.604) 8.021 11.766 ( -0.997 4.487 -0.379) 4.613 11.832 ( 2.054 0.354 -1.197) 2.403 11.919 ( 0.023 -2.412 -1.099) 2.651 12.007 ( -3.144 -6.368 3.035) 7.723 12.306 ( 2.478 3.582 -3.325) 5.480 12.363 ( 1.568 -1.949 -2.928) 3.851 12.479 ( 1.492 3.199 -0.819) 3.623 12.537 ( 2.492 -2.525 -1.033) 3.695 12.645 ( -0.138 3.335 -1.618) 3.709 12.715 ( -0.911 -3.211 -2.435) 4.131 13.634 ( 6.365 1.321 -2.628) 7.011 13.656 ( 10.464 -0.907 -3.530) 11.080 13.695 ( 19.232 0.280 -4.444) 19.741 13.706 ( 22.962 -1.021 -5.805) 23.706 14.229 ( 7.440 0.741 -2.623) 7.924 14.248 ( 7.386 -0.989 -3.448) 8.210 14.411 ( 1.462 2.335 0.023) 2.755 14.441 ( 1.385 -0.367 -0.113) 1.437 15.369 ( 10.852 5.042 -0.176) 11.967 15.508 ( 9.265 -7.882 -5.156) 13.212 16.068 ( -10.688 3.237 3.143) 11.602 16.125 ( -9.833 -2.409 2.838) 10.514 16.307 ( -15.694 1.280 -0.218) 15.747 16.322 ( -18.733 0.206 -1.242) 18.775 17.082 ( -19.950 1.544 0.978) 20.033 17.129 ( -19.835 -2.760 0.072) 20.026 17.480 ( -10.395 1.762 -2.201) 10.771 17.512 ( -10.802 -1.163 -2.981) 11.266 17.840 ( -12.995 0.749 -2.804) 13.315 17.856 ( -12.858 -0.764 -3.192) 13.270 ======================= Grid point 93 (39/50) ======================= q-point: ( 0.33 0.33 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 122 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.646 ( 7.057 11.081 5.457) 14.226 1.858 ( 1.487 0.380 2.712) 3.116 1.986 ( 4.534 -9.154 2.379) 10.489 2.098 ( 1.815 -10.032 1.390) 10.289 2.560 ( 10.322 2.410 10.597) 14.989 2.599 ( 7.473 2.313 6.851) 10.399 2.714 ( 1.109 8.868 -0.523) 8.953 2.727 ( 4.461 5.007 15.295) 16.700 2.795 ( 4.647 4.573 0.651) 6.552 2.883 ( 11.684 -2.811 8.398) 14.661 2.980 ( 7.096 -3.805 1.226) 8.144 3.028 ( 4.071 -11.256 1.767) 12.099 3.166 ( -0.504 3.898 0.366) 3.947 3.238 ( -5.436 -3.310 -2.824) 6.963 3.371 ( -3.931 3.126 0.568) 5.055 3.449 ( -1.162 -4.383 3.041) 5.460 3.578 ( 0.065 1.332 -2.077) 2.468 3.641 ( 3.153 -2.421 2.382) 4.634 3.711 ( 3.943 5.291 3.733) 7.582 3.765 ( 2.138 1.660 -0.094) 2.708 3.848 ( 6.192 4.751 0.073) 7.805 3.888 ( 0.666 -0.482 0.453) 0.939 3.944 ( 9.534 -3.292 -0.665) 10.108 4.012 ( 5.181 -4.763 -2.351) 7.420 4.113 ( -1.723 5.235 1.743) 5.780 4.219 ( 1.496 -4.127 0.674) 4.442 4.344 ( 4.951 0.102 1.964) 5.327 4.367 ( 4.166 -2.497 3.096) 5.760 4.454 ( 1.088 5.481 -3.182) 6.431 4.558 ( -0.342 -2.977 -4.261) 5.210 4.576 ( 10.256 -0.154 0.577) 10.274 4.648 ( 7.289 -4.493 -0.358) 8.570 4.811 ( -2.466 3.173 -3.362) 5.239 4.876 ( -2.692 -1.650 -3.829) 4.963 5.002 ( 5.540 4.640 -5.528) 9.098 5.092 ( 2.462 -2.974 -7.036) 8.026 5.215 ( 1.105 1.961 2.189) 3.139 5.258 ( 2.980 -1.085 3.348) 4.612 5.361 ( -3.524 5.421 -6.762) 9.356 5.447 ( -7.717 -2.148 -6.754) 10.478 5.596 ( -2.543 2.470 -2.641) 4.421 5.665 ( -4.808 -3.590 -4.333) 7.401 5.725 ( -5.144 3.320 -5.254) 8.068 5.800 ( -4.616 -4.214 -1.087) 6.344 5.927 ( -2.880 2.048 0.273) 3.545 5.987 ( -0.778 0.353 0.783) 1.158 6.054 ( -0.368 -1.851 0.733) 2.024 6.136 ( -0.089 -6.296 -0.593) 6.324 6.353 ( 2.194 7.289 3.747) 8.484 6.457 ( 1.967 0.821 -0.120) 2.135 6.512 ( 0.556 1.834 4.213) 4.628 6.636 ( 0.103 -6.809 1.153) 6.906 6.881 ( 4.790 5.832 3.363) 8.262 6.986 ( 4.929 -4.439 3.046) 7.300 7.101 ( 2.876 2.455 -0.169) 3.785 7.150 ( 4.075 -2.353 0.486) 4.730 7.347 ( -2.794 1.919 3.158) 4.632 7.366 ( -2.750 -0.341 2.161) 3.514 7.539 ( -3.297 4.318 1.184) 5.560 7.600 ( -7.813 -1.006 1.577) 8.034 7.785 ( 0.382 2.102 -2.351) 3.177 7.816 ( 2.779 -1.507 -1.287) 3.413 7.994 ( -4.216 -3.516 3.074) 6.291 8.063 ( -2.723 -9.724 -0.920) 10.139 8.224 ( 6.500 4.379 -1.205) 7.929 8.287 ( 5.898 -0.928 -2.437) 6.449 8.463 ( -0.283 5.857 -2.100) 6.229 8.511 ( 0.202 1.709 -4.094) 4.441 8.881 ( 3.402 4.003 1.341) 5.422 8.990 ( 3.025 -5.738 -1.643) 6.692 9.161 ( -4.975 1.210 -0.775) 5.178 9.200 ( -5.080 -2.637 -1.679) 5.965 9.608 ( -0.453 2.035 1.400) 2.511 9.626 ( -2.181 1.803 0.703) 2.916 9.655 ( -0.667 -1.472 0.713) 1.766 9.678 ( -4.499 -2.671 0.010) 5.232 10.054 ( -0.398 5.465 4.271) 6.947 10.141 ( 0.526 -1.434 2.943) 3.316 10.222 ( -2.750 1.917 1.693) 3.755 10.269 ( -1.773 -1.959 1.666) 3.124 10.765 ( 4.357 3.344 3.457) 6.490 10.833 ( 1.347 -0.964 1.016) 1.943 10.915 ( 1.562 -4.707 0.677) 5.005 10.948 ( 0.705 -6.373 0.232) 6.416 11.152 ( 4.571 4.164 6.260) 8.799 11.213 ( 6.283 -1.402 7.588) 9.951 11.345 ( 1.523 5.884 1.815) 6.343 11.390 ( 2.408 -1.756 2.964) 4.204 11.462 ( 4.285 5.214 0.095) 6.749 11.612 ( -0.236 -5.796 2.437) 6.292 11.717 ( -1.459 5.641 1.054) 5.921 11.843 ( -4.841 -5.469 0.696) 7.337 12.020 ( 9.571 0.650 0.678) 9.617 12.069 ( 11.107 -3.408 0.666) 11.638 12.350 ( 2.011 2.059 -3.855) 4.811 12.395 ( 1.781 -2.023 -3.357) 4.305 12.488 ( -0.681 4.146 -0.612) 4.245 12.564 ( -0.138 -2.556 -1.345) 2.892 12.627 ( -1.968 2.740 -3.019) 4.527 12.678 ( -2.822 -1.955 -3.855) 5.161 13.738 ( 5.388 1.523 -0.169) 5.602 13.771 ( 5.030 -1.511 -0.587) 5.285 14.192 ( 23.230 -0.559 -2.599) 23.382 14.199 ( 21.596 -1.446 -2.993) 21.851 14.373 ( -1.987 1.374 -0.845) 2.559 14.386 ( -2.757 -0.107 -0.746) 2.858 14.440 ( 11.204 1.984 -0.967) 11.419 14.476 ( 12.528 -1.137 -2.271) 12.783 15.625 ( 12.924 3.102 -2.646) 13.552 15.702 ( 5.355 -4.196 -2.098) 7.119 15.855 ( -5.825 2.576 -1.821) 6.625 15.897 ( -13.978 -1.631 0.173) 14.074 16.033 ( -5.625 2.253 0.471) 6.078 16.078 ( -5.719 -1.916 -1.418) 6.196 16.611 ( -26.332 1.934 -0.494) 26.407 16.657 ( -26.607 -2.257 -1.239) 26.731 17.270 ( -9.522 1.110 -3.127) 10.084 17.292 ( -9.943 -0.934 -4.010) 10.761 17.549 ( -15.276 0.866 -4.249) 15.879 17.569 ( -14.997 -1.003 -4.925) 15.817 ======================= Grid point 94 (40/50) ======================= q-point: ( 0.44 0.33 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 122 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.774 ( 5.376 11.322 3.721) 13.074 1.851 ( -2.107 9.782 3.084) 10.471 2.072 ( 3.577 -16.246 0.493) 16.642 2.118 ( -0.582 -14.884 0.010) 14.895 2.673 ( 1.645 8.781 2.722) 9.339 2.698 ( -0.010 8.130 2.249) 8.436 2.749 ( 6.753 0.391 4.971) 8.394 2.811 ( 1.308 -3.959 5.244) 6.700 2.912 ( 6.889 3.564 0.974) 7.817 3.013 ( 2.369 -2.719 4.059) 5.430 3.023 ( -1.709 6.251 0.264) 6.486 3.099 ( -5.938 -0.156 1.583) 6.147 3.165 ( 4.912 -1.146 8.418) 9.813 3.213 ( 3.291 -5.626 0.457) 6.534 3.280 ( -2.730 -1.310 2.539) 3.952 3.359 ( -6.247 -6.630 2.408) 9.422 3.633 ( 5.229 2.570 2.066) 6.182 3.706 ( 2.928 -3.755 1.355) 4.951 3.738 ( -2.421 0.399 1.415) 2.832 3.763 ( -0.871 -2.041 0.207) 2.229 3.882 ( 1.377 10.465 1.880) 10.722 3.940 ( -2.193 8.827 -0.670) 9.121 4.032 ( 4.203 2.280 6.018) 7.687 4.124 ( 0.799 -6.881 1.713) 7.136 4.165 ( 4.567 0.191 -1.707) 4.879 4.255 ( 6.070 -6.707 -0.788) 9.080 4.320 ( -4.593 -0.571 -1.558) 4.884 4.379 ( -4.173 -4.892 -3.068) 7.125 4.527 ( 5.498 2.291 -4.808) 7.655 4.595 ( 6.432 -2.163 -3.763) 7.760 4.672 ( -4.719 3.457 -6.277) 8.581 4.751 ( -5.169 -2.108 -5.632) 7.930 4.891 ( 13.578 2.658 -1.293) 13.896 4.952 ( 13.204 -2.114 -2.611) 13.625 5.097 ( -1.012 1.630 -2.329) 3.017 5.134 ( 2.102 -0.561 -2.925) 3.645 5.234 ( -2.749 2.287 1.273) 3.796 5.252 ( -8.776 1.983 -4.216) 9.936 5.274 ( 0.698 0.235 0.071) 0.740 5.332 ( -2.420 -3.878 -5.660) 7.275 5.501 ( -1.399 5.571 -3.630) 6.795 5.600 ( -6.859 5.540 -4.766) 10.022 5.632 ( 2.199 -6.016 -2.962) 7.057 5.720 ( -4.497 -5.940 -2.921) 8.003 5.912 ( 1.784 6.245 1.778) 6.734 5.965 ( -2.266 6.263 0.327) 6.669 6.066 ( 1.968 -7.988 2.544) 8.612 6.114 ( -2.117 -7.840 1.046) 8.188 6.405 ( 2.786 7.942 3.346) 9.057 6.456 ( -1.950 7.881 1.307) 8.223 6.548 ( 2.913 -5.786 4.725) 8.019 6.607 ( -2.565 -6.704 2.876) 7.733 7.005 ( 6.718 5.396 3.763) 9.403 7.084 ( 2.489 0.357 1.945) 3.179 7.140 ( 0.943 -1.161 3.397) 3.712 7.195 ( -1.128 -3.881 2.134) 4.571 7.314 ( 0.883 2.389 2.065) 3.279 7.335 ( 2.270 1.013 1.189) 2.756 7.419 ( -6.700 1.880 1.462) 7.110 7.452 ( -6.684 -0.645 0.099) 6.716 7.828 ( 3.360 2.040 0.900) 4.032 7.896 ( 1.961 -3.150 -0.061) 3.711 7.911 ( -1.404 -1.747 1.674) 2.798 7.993 ( -4.162 -8.300 -0.865) 9.325 8.357 ( 5.867 5.701 -3.950) 9.084 8.415 ( 5.428 0.329 -4.954) 7.356 8.442 ( -2.042 6.407 -3.881) 7.764 8.495 ( -2.175 1.326 -5.344) 5.920 8.961 ( 4.629 2.043 2.373) 5.588 9.033 ( 0.718 -2.684 0.348) 2.800 9.072 ( -3.299 -1.881 1.079) 3.948 9.105 ( -4.030 -3.725 0.342) 5.498 9.585 ( 0.001 1.385 1.124) 1.784 9.608 ( -2.164 -0.993 0.336) 2.405 9.615 ( 0.093 -0.807 0.130) 0.822 9.634 ( -1.500 -1.872 0.111) 2.401 10.071 ( 1.943 7.475 3.146) 8.340 10.120 ( -2.550 6.162 2.305) 7.056 10.204 ( 0.987 -4.120 1.648) 4.546 10.234 ( -1.699 -3.679 1.351) 4.272 10.827 ( 1.800 3.062 1.425) 3.827 10.844 ( -0.146 2.440 0.564) 2.508 10.938 ( 0.798 -7.161 1.422) 7.345 10.949 ( -0.330 -7.436 0.917) 7.500 11.238 ( 4.255 5.719 6.017) 9.328 11.315 ( -1.185 5.200 5.591) 7.727 11.330 ( 3.096 -1.028 6.143) 6.955 11.409 ( -1.914 -2.550 4.968) 5.903 11.563 ( 4.964 3.523 3.257) 6.903 11.600 ( 1.277 -1.070 3.295) 3.693 11.678 ( -2.166 0.054 1.364) 2.560 11.729 ( -5.791 -4.132 0.354) 7.122 12.221 ( 9.406 2.968 0.867) 9.901 12.312 ( 10.362 -4.866 -0.075) 11.448 12.357 ( -3.117 1.728 -1.949) 4.062 12.425 ( -0.109 -3.587 -2.926) 4.631 12.480 ( 1.546 4.152 -1.254) 4.604 12.542 ( -0.587 -0.391 -3.044) 3.125 12.561 ( -4.205 1.731 -1.499) 4.788 12.603 ( -4.464 -0.961 -3.436) 5.715 13.894 ( 10.556 0.936 -1.904) 10.767 13.915 ( 10.021 -1.033 -1.916) 10.255 14.141 ( -12.611 0.469 -2.406) 12.847 14.159 ( -12.726 -1.158 -2.363) 12.995 14.596 ( 13.179 1.688 2.095) 13.451 14.625 ( 13.158 -0.842 2.192) 13.366 14.697 ( 7.473 1.897 0.005) 7.710 14.741 ( 5.914 -2.007 -0.193) 6.248 15.695 ( 7.650 -0.061 -0.556) 7.671 15.699 ( 5.008 -0.461 0.478) 5.052 15.900 ( 8.279 3.193 -2.833) 9.314 15.961 ( 6.477 -2.453 -3.258) 7.654 15.994 ( -2.075 1.474 -1.198) 2.813 16.031 ( -2.616 -1.960 -1.921) 3.792 16.068 ( -24.857 1.859 -1.781) 24.990 16.104 ( -25.494 -1.414 -2.441) 25.649 17.150 ( -0.905 1.210 -4.697) 4.934 17.172 ( -0.663 -0.665 -6.037) 6.109 17.268 ( -11.139 0.785 -5.568) 12.477 17.294 ( -11.133 -1.427 -6.658) 13.050 ======================= Grid point 108 (41/50) ======================= q-point: ( 0.00 0.00 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 50 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.526 ( 0.000 0.000 14.440) 14.440 1.803 ( 0.000 0.000 -11.431) 11.431 1.955 ( 0.000 0.000 4.556) 4.556 2.071 ( 0.000 0.000 -6.786) 6.786 2.188 ( 0.000 0.000 12.905) 12.905 2.287 ( 0.000 0.000 3.497) 3.497 2.444 ( 0.000 0.000 12.697) 12.697 2.501 ( 0.000 0.000 21.036) 21.036 2.717 ( 0.000 0.000 -11.484) 11.484 2.780 ( 0.000 0.000 6.721) 6.721 2.995 ( 0.000 0.000 1.257) 1.257 3.023 ( 0.000 0.000 -1.645) 1.645 3.052 ( 0.000 0.000 -5.389) 5.389 3.144 ( 0.000 0.000 2.586) 2.586 3.172 ( 0.000 0.000 12.916) 12.916 3.222 ( 0.000 0.000 -5.699) 5.699 3.276 ( 0.000 0.000 -14.964) 14.964 3.317 ( 0.000 0.000 -1.408) 1.408 3.572 ( 0.000 0.000 -2.265) 2.265 3.630 ( 0.000 0.000 -5.887) 5.887 3.652 ( 0.000 0.000 -3.366) 3.366 3.654 ( 0.000 0.000 -4.140) 4.140 4.060 ( 0.000 0.000 18.487) 18.487 4.073 ( 0.000 0.000 8.368) 8.368 4.093 ( 0.000 0.000 10.307) 10.307 4.170 ( 0.000 0.000 2.881) 2.881 4.244 ( 0.000 0.000 9.872) 9.872 4.357 ( 0.000 0.000 -6.010) 6.010 4.390 ( 0.000 0.000 -2.059) 2.059 4.481 ( 0.000 0.000 -7.297) 7.297 4.649 ( 0.000 0.000 -2.584) 2.584 4.650 ( 0.000 0.000 -2.140) 2.140 4.780 ( 0.000 0.000 14.463) 14.463 4.826 ( 0.000 0.000 11.724) 11.724 5.101 ( 0.000 0.000 5.063) 5.063 5.104 ( 0.000 0.000 -15.196) 15.196 5.127 ( 0.000 0.000 -17.036) 17.036 5.195 ( 0.000 0.000 -4.713) 4.713 5.258 ( 0.000 0.000 4.457) 4.457 5.452 ( 0.000 0.000 -11.256) 11.256 5.489 ( 0.000 0.000 -1.244) 1.244 5.586 ( 0.000 0.000 -8.720) 8.720 5.754 ( 0.000 0.000 6.989) 6.989 5.835 ( 0.000 0.000 0.232) 0.232 5.968 ( 0.000 0.000 -0.243) 0.243 6.007 ( 0.000 0.000 -3.929) 3.929 6.203 ( 0.000 0.000 0.951) 0.951 6.220 ( 0.000 0.000 0.113) 0.113 6.415 ( 0.000 0.000 3.632) 3.632 6.514 ( 0.000 0.000 8.125) 8.125 6.526 ( 0.000 0.000 -5.779) 5.779 6.690 ( 0.000 0.000 -8.409) 8.409 6.714 ( 0.000 0.000 4.576) 4.576 6.753 ( 0.000 0.000 0.963) 0.963 6.957 ( 0.000 0.000 1.441) 1.441 6.979 ( 0.000 0.000 -0.399) 0.399 7.193 ( 0.000 0.000 -0.002) 0.002 7.246 ( 0.000 0.000 -4.947) 4.947 7.511 ( 0.000 0.000 6.762) 6.762 7.630 ( 0.000 0.000 -3.992) 3.992 7.884 ( 0.000 0.000 0.938) 0.938 7.941 ( 0.000 0.000 -4.653) 4.653 8.035 ( 0.000 0.000 6.592) 6.592 8.149 ( 0.000 0.000 -3.024) 3.024 8.286 ( 0.000 0.000 1.021) 1.021 8.331 ( 0.000 0.000 -4.765) 4.765 8.527 ( 0.000 0.000 5.362) 5.362 8.613 ( 0.000 0.000 -2.761) 2.761 8.900 ( 0.000 0.000 -0.155) 0.155 8.915 ( 0.000 0.000 -1.361) 1.361 9.269 ( 0.000 0.000 -0.696) 0.696 9.288 ( 0.000 0.000 -2.786) 2.786 9.534 ( 0.000 0.000 2.359) 2.359 9.576 ( 0.000 0.000 -1.654) 1.654 9.845 ( 0.000 0.000 0.354) 0.354 9.851 ( 0.000 0.000 -0.162) 0.162 10.254 ( 0.000 0.000 3.884) 3.884 10.286 ( 0.000 0.000 3.775) 3.775 10.315 ( 0.000 0.000 -1.433) 1.433 10.342 ( 0.000 0.000 -0.739) 0.739 10.539 ( 0.000 0.000 1.869) 1.869 10.564 ( 0.000 0.000 -0.053) 0.053 10.736 ( 0.000 0.000 3.913) 3.913 10.822 ( 0.000 0.000 -4.473) 4.473 10.845 ( 0.000 0.000 3.084) 3.084 10.871 ( 0.000 0.000 -0.008) 0.008 11.059 ( 0.000 0.000 7.020) 7.020 11.194 ( 0.000 0.000 -5.199) 5.199 11.393 ( 0.000 0.000 6.285) 6.285 11.512 ( 0.000 0.000 -3.845) 3.845 11.725 ( 0.000 0.000 2.469) 2.469 11.849 ( 0.000 0.000 -8.257) 8.257 11.851 ( 0.000 0.000 1.376) 1.376 11.914 ( 0.000 0.000 -5.168) 5.168 12.331 ( 0.000 0.000 1.365) 1.365 12.335 ( 0.000 0.000 2.215) 2.215 12.450 ( 0.000 0.000 1.174) 1.174 12.466 ( 0.000 0.000 -0.104) 0.104 12.640 ( 0.000 0.000 2.345) 2.345 12.720 ( 0.000 0.000 -4.476) 4.476 13.127 ( 0.000 0.000 -0.467) 0.467 13.140 ( 0.000 0.000 -1.454) 1.454 13.268 ( 0.000 0.000 -3.190) 3.190 13.286 ( 0.000 0.000 -4.656) 4.656 14.018 ( 0.000 0.000 -1.350) 1.350 14.031 ( 0.000 0.000 -2.603) 2.603 14.323 ( 0.000 0.000 0.550) 0.550 14.334 ( 0.000 0.000 -0.515) 0.515 15.295 ( 0.000 0.000 6.336) 6.336 15.398 ( 0.000 0.000 -3.690) 3.690 16.440 ( 0.000 0.000 6.613) 6.613 16.587 ( 0.000 0.000 -7.430) 7.430 16.589 ( 0.000 0.000 5.798) 5.798 16.670 ( 0.000 0.000 -1.958) 1.958 17.568 ( 0.000 0.000 2.027) 2.027 17.595 ( 0.000 0.000 -0.447) 0.447 17.672 ( 0.000 0.000 0.299) 0.299 17.702 ( 0.000 0.000 -2.444) 2.444 18.100 ( 0.000 0.000 -0.149) 0.149 18.112 ( 0.000 0.000 -1.112) 1.112 ======================= Grid point 109 (42/50) ======================= q-point: ( 0.11 0.00 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 82 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.561 ( 3.086 0.000 13.959) 14.296 1.827 ( 1.525 0.000 -10.370) 10.482 1.970 ( 2.162 0.000 3.884) 4.445 2.080 ( 1.474 0.000 -6.432) 6.599 2.303 ( 9.628 0.000 11.309) 14.852 2.411 ( 11.013 0.000 1.679) 11.140 2.444 ( 1.158 0.000 13.760) 13.809 2.551 ( 4.651 0.000 20.397) 20.920 2.719 ( 0.453 0.000 -10.795) 10.804 2.832 ( 3.629 0.000 7.380) 8.224 3.024 ( 2.528 0.000 -4.234) 4.932 3.035 ( 1.094 0.000 -0.590) 1.243 3.077 ( 2.223 0.000 -4.899) 5.380 3.145 ( 0.291 0.000 1.743) 1.767 3.233 ( 5.537 0.000 11.632) 12.883 3.276 ( 5.573 0.000 -3.964) 6.839 3.317 ( 4.161 0.000 -12.395) 13.074 3.376 ( 5.296 0.000 -1.706) 5.564 3.603 ( 3.166 0.000 -0.605) 3.224 3.635 ( -0.316 0.000 -0.493) 0.586 3.677 ( 2.417 0.000 -3.591) 4.328 3.695 ( 4.953 0.000 -8.661) 9.977 4.060 ( -3.098 0.000 9.263) 9.768 4.081 ( -0.359 0.000 10.645) 10.651 4.087 ( 2.123 0.000 13.525) 13.691 4.163 ( 0.239 0.000 6.010) 6.014 4.265 ( 2.572 0.000 5.123) 5.733 4.299 ( -3.182 0.000 -0.119) 3.184 4.429 ( 2.312 0.000 -3.775) 4.427 4.483 ( -0.195 0.000 -8.038) 8.040 4.617 ( -2.568 0.000 -2.043) 3.282 4.643 ( -0.587 0.000 -4.208) 4.249 4.736 ( -3.074 0.000 10.254) 10.705 4.866 ( 1.988 0.000 10.495) 10.681 4.996 ( -6.379 0.000 -12.517) 14.049 5.104 ( -1.721 0.000 3.595) 3.986 5.163 ( 0.881 0.000 -15.457) 15.482 5.190 ( -0.206 0.000 -4.204) 4.209 5.239 ( 0.070 0.000 7.685) 7.685 5.476 ( 2.152 0.000 -11.919) 12.111 5.506 ( 1.599 0.000 -0.206) 1.612 5.610 ( 1.968 0.000 -8.884) 9.099 5.703 ( -4.141 0.000 7.022) 8.152 5.830 ( -1.347 0.000 -3.467) 3.720 6.032 ( 5.704 0.000 0.029) 5.704 6.044 ( 3.489 0.000 -1.216) 3.695 6.191 ( -2.252 0.000 1.136) 2.523 6.200 ( -1.800 0.000 0.426) 1.850 6.370 ( -4.234 0.000 1.551) 4.510 6.422 ( -8.622 0.000 -2.521) 8.983 6.540 ( 2.377 0.000 7.400) 7.773 6.679 ( 1.925 0.000 8.059) 8.286 6.697 ( 0.682 0.000 -7.318) 7.350 6.833 ( 3.745 0.000 -6.134) 7.187 6.975 ( 1.852 0.000 1.988) 2.717 7.005 ( 2.531 0.000 -0.709) 2.628 7.283 ( 7.167 0.000 0.618) 7.193 7.317 ( 5.356 0.000 -2.784) 6.036 7.511 ( 0.075 0.000 6.575) 6.576 7.638 ( 0.681 0.000 -4.709) 4.758 7.857 ( -2.593 0.000 0.573) 2.655 7.900 ( -3.767 0.000 -3.469) 5.121 8.028 ( 0.020 0.000 6.624) 6.624 8.163 ( 1.250 0.000 -4.770) 4.931 8.250 ( -2.674 0.000 1.901) 3.281 8.320 ( -1.093 0.000 -4.872) 4.993 8.494 ( -3.679 0.000 4.165) 5.557 8.549 ( -6.138 0.000 -0.993) 6.218 8.870 ( -1.866 0.000 0.803) 2.031 8.902 ( -0.098 0.000 -1.982) 1.984 9.256 ( -1.345 0.000 -0.122) 1.351 9.281 ( -0.888 0.000 -2.650) 2.795 9.546 ( 1.269 0.000 1.761) 2.171 9.577 ( 0.239 0.000 -1.097) 1.123 9.819 ( -2.384 0.000 0.647) 2.470 9.830 ( -2.090 0.000 -0.336) 2.117 10.253 ( -0.077 0.000 3.979) 3.980 10.255 ( -2.982 0.000 3.808) 4.836 10.313 ( -2.740 0.000 -1.062) 2.938 10.320 ( -0.083 0.000 -1.829) 1.831 10.610 ( 5.683 0.000 3.140) 6.493 10.657 ( 7.379 0.000 -1.818) 7.600 10.821 ( 7.728 0.000 2.125) 8.015 10.873 ( 5.533 0.000 -2.873) 6.235 10.920 ( 6.508 0.000 2.940) 7.142 10.944 ( 6.073 0.000 -0.108) 6.074 11.096 ( 3.970 0.000 7.235) 8.252 11.220 ( 2.675 0.000 -4.331) 5.091 11.408 ( 1.731 0.000 5.977) 6.222 11.519 ( 1.194 0.000 -3.550) 3.746 11.754 ( 2.906 0.000 4.067) 4.998 11.818 ( -3.077 0.000 2.266) 3.822 11.892 ( 3.773 0.000 -8.058) 8.898 11.910 ( -0.993 0.000 -6.649) 6.723 12.307 ( -0.892 0.000 2.790) 2.929 12.340 ( -0.303 0.000 -0.552) 0.630 12.439 ( -0.698 0.000 1.572) 1.720 12.478 ( 0.859 0.000 -1.814) 2.007 12.646 ( 0.227 0.000 2.867) 2.876 12.717 ( -0.489 0.000 -3.413) 3.448 13.251 ( 12.299 0.000 -1.355) 12.374 13.258 ( 12.018 0.000 -1.972) 12.179 13.369 ( 8.995 0.000 -3.397) 9.615 13.376 ( 8.655 0.000 -3.839) 9.468 14.060 ( 4.380 0.000 -0.927) 4.477 14.073 ( 4.299 0.000 -2.189) 4.824 14.353 ( 2.693 0.000 1.010) 2.876 14.372 ( 3.266 0.000 -0.692) 3.338 15.303 ( 1.244 0.000 5.459) 5.599 15.401 ( 0.765 0.000 -4.110) 4.180 16.358 ( -7.982 0.000 6.191) 10.101 16.483 ( -9.970 0.000 5.023) 11.164 16.491 ( -9.282 0.000 -6.509) 11.336 16.552 ( -11.080 0.000 -1.546) 11.188 17.448 ( -11.742 0.000 2.105) 11.929 17.479 ( -11.415 0.000 -0.720) 11.438 17.610 ( -6.050 0.000 0.341) 6.060 17.639 ( -6.182 0.000 -2.309) 6.600 18.019 ( -7.978 0.000 -0.269) 7.982 18.031 ( -7.904 0.000 -1.333) 8.015 ======================= Grid point 110 (43/50) ======================= q-point: ( 0.22 0.00 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 82 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.632 ( 3.667 0.000 11.738) 12.298 1.839 ( -0.113 0.000 -6.020) 6.021 2.058 ( 6.364 0.000 1.689) 6.584 2.149 ( 5.295 0.000 -6.281) 8.215 2.390 ( -0.135 0.000 9.502) 9.503 2.540 ( 3.624 0.000 -0.809) 3.713 2.663 ( 5.844 0.000 16.670) 17.664 2.692 ( 15.365 0.000 6.073) 16.522 2.801 ( 10.471 0.000 -1.138) 10.533 2.874 ( 0.548 0.000 6.071) 6.096 3.045 ( -0.853 0.000 -3.001) 3.119 3.068 ( 2.449 0.000 0.910) 2.613 3.135 ( 3.565 0.000 -4.848) 6.017 3.183 ( 1.911 0.000 -8.845) 9.049 3.341 ( 3.654 0.000 8.915) 9.635 3.420 ( 9.074 0.000 -1.165) 9.148 3.455 ( 8.623 0.000 -3.726) 9.394 3.478 ( 3.837 0.000 -2.545) 4.604 3.630 ( 0.167 0.000 2.250) 2.256 3.696 ( 1.958 0.000 -2.199) 2.944 3.736 ( 7.835 0.000 1.399) 7.959 3.867 ( 10.969 0.000 -7.672) 13.386 3.981 ( -4.115 0.000 5.975) 7.255 4.059 ( -0.038 0.000 12.086) 12.086 4.072 ( -4.641 0.000 -0.444) 4.662 4.184 ( -0.168 0.000 1.390) 1.400 4.317 ( 5.854 0.000 9.100) 10.820 4.336 ( 4.249 0.000 5.209) 6.723 4.481 ( 0.687 0.000 -3.475) 3.543 4.494 ( 4.923 0.000 -2.047) 5.332 4.557 ( -3.150 0.000 -2.298) 3.899 4.645 ( 1.049 0.000 -8.436) 8.501 4.666 ( -3.929 0.000 3.001) 4.944 4.791 ( -7.229 0.000 -5.853) 9.301 4.989 ( 4.198 0.000 4.239) 5.966 5.027 ( -4.217 0.000 4.902) 6.466 5.154 ( -3.076 0.000 -7.219) 7.847 5.175 ( 0.644 0.000 -10.731) 10.750 5.309 ( 5.343 0.000 9.689) 11.065 5.530 ( 2.696 0.000 -10.459) 10.801 5.534 ( -0.375 0.000 0.390) 0.541 5.597 ( -4.298 0.000 3.214) 5.367 5.644 ( -0.555 0.000 -2.812) 2.867 5.790 ( -1.987 0.000 -7.628) 7.883 6.084 ( -7.734 0.000 1.458) 7.871 6.097 ( -9.051 0.000 0.327) 9.057 6.131 ( 4.746 0.000 1.699) 5.041 6.157 ( 5.957 0.000 -0.615) 5.989 6.285 ( -1.677 0.000 1.842) 2.491 6.325 ( -1.580 0.000 -2.213) 2.719 6.598 ( 3.108 0.000 6.130) 6.873 6.716 ( 1.102 0.000 -4.923) 5.045 6.763 ( 5.637 0.000 7.147) 9.102 6.911 ( 4.143 0.000 -6.547) 7.748 7.033 ( 3.964 0.000 3.029) 4.989 7.077 ( 4.518 0.000 -1.125) 4.656 7.387 ( 1.905 0.000 1.079) 2.189 7.405 ( 2.281 0.000 -0.705) 2.387 7.517 ( 0.373 0.000 5.136) 5.149 7.644 ( -1.029 0.000 -6.409) 6.491 7.786 ( -3.482 0.000 1.362) 3.739 7.820 ( -3.250 0.000 -1.377) 3.529 8.069 ( 4.581 0.000 5.071) 6.834 8.190 ( 0.998 0.000 -4.721) 4.825 8.222 ( 0.855 0.000 1.316) 1.569 8.298 ( -0.723 0.000 -5.193) 5.243 8.367 ( -8.580 0.000 3.245) 9.173 8.406 ( -7.308 0.000 -0.322) 7.315 8.866 ( 1.737 0.000 2.924) 3.400 8.932 ( 2.856 0.000 -3.189) 4.281 9.215 ( -2.552 0.000 0.847) 2.688 9.248 ( -2.324 0.000 -2.252) 3.237 9.582 ( 1.901 0.000 0.724) 2.034 9.592 ( 1.378 0.000 -0.288) 1.408 9.753 ( -4.059 0.000 1.103) 4.206 9.772 ( -3.520 0.000 -0.617) 3.573 10.175 ( -4.596 0.000 4.087) 6.150 10.239 ( -4.386 0.000 -1.481) 4.629 10.251 ( -0.015 0.000 3.247) 3.247 10.308 ( -0.890 0.000 -1.735) 1.950 10.721 ( 4.898 0.000 3.436) 5.983 10.778 ( 3.892 0.000 -2.324) 4.532 10.977 ( 6.961 0.000 2.254) 7.317 11.036 ( 8.242 0.000 -3.000) 8.771 11.045 ( 4.537 0.000 2.079) 4.991 11.061 ( 5.331 0.000 0.693) 5.375 11.224 ( 8.017 0.000 6.535) 10.343 11.308 ( 6.083 0.000 -1.917) 6.378 11.474 ( 4.870 0.000 6.271) 7.940 11.587 ( 5.745 0.000 -3.346) 6.648 11.734 ( -4.989 0.000 3.054) 5.849 11.854 ( 7.703 0.000 5.463) 9.444 11.858 ( -4.035 0.000 -8.307) 9.235 11.984 ( 5.434 0.000 -5.631) 7.825 12.303 ( 0.337 0.000 2.116) 2.143 12.340 ( 0.585 0.000 -1.707) 1.805 12.428 ( -0.278 0.000 1.504) 1.529 12.497 ( 1.064 0.000 -4.282) 4.412 12.629 ( -2.226 0.000 2.459) 3.317 12.690 ( -2.391 0.000 -3.064) 3.886 13.567 ( 9.564 0.000 -1.365) 9.660 13.588 ( 10.360 0.000 -3.317) 10.878 13.617 ( 23.866 0.000 -1.616) 23.920 13.625 ( 24.065 0.000 -2.444) 24.189 14.198 ( 9.359 0.000 -0.164) 9.360 14.209 ( 9.252 0.000 -1.195) 9.329 14.402 ( 1.085 0.000 1.499) 1.851 14.430 ( 1.245 0.000 -0.924) 1.551 15.375 ( 6.704 0.000 3.241) 7.446 15.460 ( 6.013 0.000 -5.151) 7.918 16.135 ( -13.659 0.000 5.065) 14.568 16.234 ( -15.676 0.000 -4.217) 16.234 16.237 ( -12.770 0.000 3.214) 13.168 16.281 ( -13.939 0.000 -1.022) 13.977 17.109 ( -21.562 0.000 2.013) 21.656 17.147 ( -21.326 0.000 -1.358) 21.369 17.442 ( -10.186 0.000 0.266) 10.190 17.466 ( -10.564 0.000 -1.937) 10.740 17.793 ( -14.005 0.000 -0.686) 14.022 17.807 ( -13.966 0.000 -1.865) 14.090 ======================= Grid point 111 (44/50) ======================= q-point: ( 0.33 0.00 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 82 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.703 ( 3.439 0.000 8.212) 8.903 1.833 ( -0.536 0.000 -2.678) 2.731 2.203 ( 7.382 0.000 0.632) 7.409 2.271 ( 6.088 0.000 -5.618) 8.284 2.386 ( 0.206 0.000 6.950) 6.953 2.525 ( -2.994 0.000 -5.871) 6.590 2.765 ( 4.062 0.000 9.810) 10.618 2.878 ( 0.487 0.000 1.623) 1.694 2.972 ( 10.594 0.000 10.939) 15.228 3.011 ( -2.413 0.000 2.523) 3.491 3.068 ( 13.341 0.000 2.154) 13.514 3.146 ( 5.271 0.000 -0.039) 5.272 3.158 ( -4.223 0.000 -8.924) 9.872 3.217 ( 4.350 0.000 -6.115) 7.504 3.363 ( -0.503 0.000 8.952) 8.966 3.526 ( 1.093 0.000 -4.669) 4.795 3.617 ( 8.322 0.000 0.447) 8.334 3.619 ( -1.623 0.000 5.481) 5.716 3.624 ( 8.774 0.000 0.143) 8.775 3.720 ( 1.161 0.000 -3.574) 3.758 3.856 ( -2.864 0.000 3.301) 4.371 3.901 ( -3.855 0.000 1.395) 4.100 4.011 ( 6.769 0.000 0.293) 6.776 4.107 ( 3.592 0.000 4.373) 5.659 4.125 ( 11.961 0.000 -7.872) 14.319 4.146 ( -1.510 0.000 2.751) 3.138 4.381 ( -1.706 0.000 4.237) 4.567 4.446 ( 4.283 0.000 5.275) 6.795 4.495 ( -3.456 0.000 -4.833) 5.941 4.537 ( 5.332 0.000 3.784) 6.538 4.564 ( -6.402 0.000 -2.290) 6.799 4.649 ( 10.257 0.000 -0.880) 10.295 4.677 ( 1.143 0.000 -8.190) 8.269 4.713 ( 1.775 0.000 -3.730) 4.131 4.992 ( 2.204 0.000 3.614) 4.233 5.073 ( 3.203 0.000 3.033) 4.411 5.114 ( 0.405 0.000 -7.610) 7.621 5.189 ( 0.409 0.000 -6.412) 6.425 5.388 ( 1.032 0.000 7.148) 7.222 5.426 ( -7.531 0.000 4.848) 8.957 5.533 ( -5.151 0.000 -3.742) 6.366 5.542 ( -2.863 0.000 -7.268) 7.812 5.632 ( 0.668 0.000 1.801) 1.921 5.760 ( -1.457 0.000 -7.966) 8.098 5.923 ( -6.456 0.000 1.285) 6.582 5.936 ( -5.528 0.000 -0.042) 5.529 6.219 ( 3.762 0.000 2.544) 4.541 6.252 ( 3.338 0.000 -0.483) 3.373 6.278 ( 0.264 0.000 1.708) 1.728 6.313 ( -0.201 0.000 -1.887) 1.898 6.659 ( 2.900 0.000 4.941) 5.729 6.737 ( 0.772 0.000 -2.276) 2.404 6.888 ( 6.493 0.000 5.671) 8.621 6.994 ( 3.968 0.000 -4.227) 5.797 7.131 ( 5.669 0.000 3.368) 6.594 7.177 ( 5.265 0.000 -1.064) 5.372 7.367 ( -3.199 0.000 1.762) 3.652 7.389 ( -3.272 0.000 -0.183) 3.277 7.501 ( -2.789 0.000 1.598) 3.215 7.556 ( -6.727 0.000 -3.365) 7.521 7.778 ( 2.349 0.000 1.605) 2.845 7.810 ( 3.109 0.000 -1.369) 3.397 8.188 ( -8.840 0.000 4.060) 9.728 8.189 ( 5.267 0.000 2.586) 5.868 8.222 ( 3.291 0.000 -0.834) 3.395 8.252 ( -8.068 0.000 -2.113) 8.340 8.256 ( 1.317 0.000 -1.626) 2.093 8.309 ( 2.107 0.000 -5.883) 6.249 8.929 ( 4.105 0.000 3.595) 5.457 9.000 ( 3.426 0.000 -3.142) 4.648 9.165 ( -2.077 0.000 1.470) 2.545 9.198 ( -2.418 0.000 -1.579) 2.888 9.609 ( 0.909 0.000 0.638) 1.111 9.623 ( 1.130 0.000 -0.666) 1.312 9.664 ( -4.445 0.000 1.614) 4.729 9.693 ( -4.187 0.000 -1.213) 4.360 10.090 ( -3.402 0.000 4.130) 5.350 10.150 ( -4.218 0.000 -1.257) 4.401 10.256 ( 0.507 0.000 2.030) 2.092 10.291 ( -0.709 0.000 -1.055) 1.271 10.794 ( 2.246 0.000 1.836) 2.900 10.821 ( 0.768 0.000 -0.919) 1.198 11.087 ( 4.243 0.000 2.849) 5.110 11.111 ( 2.351 0.000 2.579) 3.490 11.139 ( 2.361 0.000 0.357) 2.388 11.150 ( 3.283 0.000 -2.628) 4.205 11.376 ( 6.560 0.000 6.269) 9.074 11.442 ( 6.399 0.000 -0.376) 6.410 11.581 ( 5.046 0.000 7.472) 9.016 11.638 ( -4.057 0.000 2.658) 4.851 11.698 ( 3.723 0.000 -2.777) 4.645 11.766 ( -4.749 0.000 -8.311) 9.572 12.070 ( 12.310 0.000 3.453) 12.785 12.132 ( 9.941 0.000 -0.990) 9.990 12.317 ( 1.252 0.000 1.365) 1.852 12.366 ( 1.954 0.000 -2.878) 3.478 12.429 ( 0.201 0.000 1.725) 1.737 12.520 ( 1.125 0.000 -5.585) 5.697 12.557 ( -4.653 0.000 1.773) 4.979 12.619 ( -4.572 0.000 -3.569) 5.800 13.720 ( 6.004 0.000 0.384) 6.016 13.749 ( 5.975 0.000 -2.191) 6.364 14.170 ( 29.207 0.000 -0.609) 29.213 14.177 ( 29.103 0.000 -1.302) 29.132 14.344 ( -7.881 0.000 0.811) 7.922 14.367 ( -8.215 0.000 -1.206) 8.303 14.425 ( 12.719 0.000 0.649) 12.736 14.444 ( 13.950 0.000 -1.246) 14.005 15.584 ( 13.528 0.000 1.398) 13.600 15.655 ( 12.650 0.000 -5.419) 13.762 15.844 ( -13.953 0.000 3.416) 14.365 15.901 ( -15.986 0.000 -1.754) 16.082 16.043 ( -5.503 0.000 1.592) 5.728 16.070 ( -5.958 0.000 -1.041) 6.048 16.604 ( -28.056 0.000 1.390) 28.090 16.643 ( -28.143 0.000 -2.050) 28.217 17.227 ( -10.254 0.000 -0.238) 10.257 17.242 ( -10.801 0.000 -1.589) 10.918 17.480 ( -16.443 0.000 -1.307) 16.495 17.494 ( -16.385 0.000 -2.607) 16.591 ======================= Grid point 112 (45/50) ======================= q-point: ( 0.44 0.00 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 82 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.768 ( 2.883 0.000 4.554) 5.390 1.813 ( -1.545 0.000 0.814) 1.747 2.327 ( 4.387 0.000 -1.490) 4.633 2.358 ( 1.686 0.000 -4.366) 4.680 2.406 ( 1.850 0.000 2.765) 3.327 2.458 ( -3.214 0.000 -2.091) 3.834 2.838 ( 3.724 0.000 4.386) 5.753 2.898 ( -0.104 0.000 -1.139) 1.144 2.962 ( -0.304 0.000 3.669) 3.682 3.045 ( -6.156 0.000 -3.499) 7.081 3.118 ( 5.274 0.000 9.941) 11.254 3.194 ( -1.256 0.000 5.397) 5.541 3.285 ( 4.991 0.000 -2.615) 5.634 3.291 ( 3.009 0.000 -5.721) 6.464 3.391 ( 4.710 0.000 8.672) 9.868 3.506 ( -4.399 0.000 1.627) 4.690 3.608 ( 3.068 0.000 1.137) 3.271 3.715 ( -4.711 0.000 -4.471) 6.495 3.743 ( 4.251 0.000 1.903) 4.657 3.759 ( 3.237 0.000 0.015) 3.237 3.775 ( -0.546 0.000 0.115) 0.558 3.812 ( -3.151 0.000 -2.114) 3.795 4.133 ( 2.353 0.000 6.318) 6.742 4.185 ( 0.093 0.000 0.747) 0.753 4.214 ( 9.958 0.000 3.160) 10.447 4.316 ( 5.137 0.000 -5.313) 7.390 4.329 ( -0.342 0.000 1.854) 1.885 4.400 ( -5.386 0.000 -4.211) 6.836 4.423 ( -4.884 0.000 -0.041) 4.884 4.457 ( -3.377 0.000 -3.184) 4.641 4.635 ( 3.299 0.000 0.058) 3.299 4.674 ( -1.027 0.000 -3.291) 3.447 4.841 ( 9.544 0.000 0.063) 9.544 4.877 ( 8.725 0.000 -3.073) 9.250 5.086 ( -1.954 0.000 1.007) 2.198 5.125 ( 9.656 0.000 1.362) 9.751 5.135 ( -6.533 0.000 -3.553) 7.437 5.201 ( 8.067 0.000 -5.607) 9.824 5.315 ( -7.776 0.000 3.421) 8.495 5.336 ( 0.344 0.000 4.333) 4.347 5.400 ( -10.109 0.000 -4.661) 11.131 5.407 ( -5.954 0.000 -2.273) 6.373 5.664 ( 2.331 0.000 -0.226) 2.342 5.718 ( -2.679 0.000 -4.855) 5.545 5.865 ( -0.035 0.000 1.385) 1.385 5.880 ( -1.121 0.000 -0.029) 1.121 6.276 ( 1.835 0.000 1.927) 2.661 6.288 ( 0.737 0.000 0.971) 1.219 6.290 ( 0.517 0.000 0.640) 0.823 6.304 ( -0.718 0.000 -0.650) 0.968 6.711 ( 2.141 0.000 3.221) 3.867 6.739 ( -0.632 0.000 0.585) 0.861 7.011 ( 5.160 0.000 3.177) 6.060 7.055 ( 1.250 0.000 -0.944) 1.566 7.254 ( 6.260 0.000 2.316) 6.675 7.283 ( 4.853 0.000 -0.559) 4.885 7.296 ( -2.520 0.000 1.280) 2.826 7.310 ( -3.466 0.000 0.017) 3.466 7.408 ( -5.637 0.000 0.109) 5.638 7.420 ( -6.007 0.000 -1.271) 6.140 7.870 ( 6.351 0.000 2.656) 6.884 7.922 ( 7.274 0.000 -2.374) 7.652 8.018 ( -8.002 0.000 3.710) 8.820 8.085 ( -8.451 0.000 -2.807) 8.904 8.241 ( 1.479 0.000 0.260) 1.502 8.258 ( -0.205 0.000 -1.380) 1.395 8.324 ( 3.670 0.000 -1.669) 4.032 8.350 ( 0.924 0.000 -3.932) 4.039 9.012 ( 3.502 0.000 2.219) 4.146 9.045 ( 0.504 0.000 -0.977) 1.100 9.142 ( -0.126 0.000 1.173) 1.180 9.158 ( -1.500 0.000 -0.260) 1.522 9.599 ( -1.423 0.000 0.746) 1.607 9.617 ( -2.920 0.000 -0.975) 3.079 9.621 ( 0.386 0.000 0.223) 0.446 9.629 ( -0.356 0.000 -0.556) 0.660 10.054 ( -0.082 0.000 2.671) 2.672 10.080 ( -2.529 0.000 0.277) 2.544 10.269 ( 0.652 0.000 0.936) 1.141 10.280 ( -0.476 0.000 -0.055) 0.479 10.817 ( 0.428 0.000 0.431) 0.608 10.823 ( -0.253 0.000 -0.177) 0.309 11.146 ( 1.237 0.000 2.446) 2.741 11.155 ( 2.493 0.000 1.793) 3.071 11.160 ( -0.082 0.000 1.312) 1.315 11.182 ( 0.025 0.000 -0.529) 0.530 11.479 ( 3.739 0.000 5.538) 6.682 11.524 ( 0.186 0.000 2.848) 2.854 11.603 ( 1.951 0.000 -1.870) 2.703 11.668 ( 3.597 0.000 5.475) 6.551 11.676 ( -4.209 0.000 -6.265) 7.547 11.719 ( -1.210 0.000 0.796) 1.448 12.273 ( 7.536 0.000 3.351) 8.248 12.331 ( 4.827 0.000 -1.996) 5.223 12.362 ( 3.229 0.000 0.520) 3.271 12.414 ( 1.680 0.000 -4.241) 4.561 12.441 ( 2.814 0.000 3.407) 4.419 12.464 ( -3.004 0.000 1.670) 3.437 12.519 ( -4.928 0.000 -3.422) 6.000 12.521 ( -1.975 0.000 -3.457) 3.981 13.857 ( 8.917 0.000 -0.183) 8.918 13.880 ( 8.418 0.000 -2.095) 8.675 14.109 ( -13.349 0.000 -0.153) 13.350 14.129 ( -13.502 0.000 -1.777) 13.619 14.625 ( 13.316 0.000 2.328) 13.518 14.662 ( 10.065 0.000 -0.711) 10.090 14.692 ( 15.546 0.000 2.347) 15.722 14.740 ( 11.257 0.000 -1.767) 11.394 15.685 ( 2.718 0.000 0.548) 2.773 15.706 ( 1.815 0.000 -0.872) 2.014 15.853 ( 11.007 0.000 0.870) 11.041 15.900 ( 9.225 0.000 -3.509) 9.870 15.992 ( -1.465 0.000 1.061) 1.809 16.018 ( -1.393 0.000 -1.428) 1.995 16.030 ( -26.973 0.000 0.469) 26.977 16.063 ( -27.598 0.000 -2.316) 27.696 17.083 ( -2.597 0.000 -1.159) 2.844 17.090 ( -2.518 0.000 -2.018) 3.227 17.183 ( -11.218 0.000 -1.796) 11.361 17.197 ( -11.476 0.000 -3.147) 11.899 ======================= Grid point 117 (46/50) ======================= q-point: ( 0.00 0.33 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 70 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.582 ( 0.000 5.149 8.752) 10.154 1.710 ( 0.000 -7.133 -2.869) 7.689 1.962 ( 0.000 1.406 1.544) 2.088 2.018 ( 0.000 -3.716 -3.482) 5.093 2.234 ( 0.000 3.149 10.037) 10.519 2.279 ( 0.000 -1.146 6.192) 6.297 2.540 ( 0.000 4.754 20.621) 21.162 2.592 ( 0.000 11.440 6.671) 13.243 2.659 ( 0.000 -6.362 12.073) 13.647 2.784 ( 0.000 -0.732 -0.355) 0.814 2.877 ( 0.000 -7.530 -3.070) 8.131 2.924 ( 0.000 -6.034 -4.457) 7.501 2.990 ( 0.000 0.938 -10.935) 10.975 3.091 ( 0.000 -7.947 -10.491) 13.161 3.253 ( 0.000 6.928 2.792) 7.470 3.265 ( 0.000 5.490 0.578) 5.520 3.430 ( 0.000 8.480 -1.011) 8.540 3.432 ( 0.000 2.696 -2.139) 3.442 3.532 ( 0.000 -0.976 1.715) 1.974 3.618 ( 0.000 -1.353 -4.683) 4.875 3.652 ( 0.000 -0.836 -3.166) 3.274 3.653 ( 0.000 -0.022 -3.776) 3.776 3.933 ( 0.000 -5.269 8.952) 10.388 3.950 ( 0.000 -5.698 9.371) 10.968 4.149 ( 0.000 0.161 5.857) 5.859 4.156 ( 0.000 -1.389 6.064) 6.221 4.332 ( 0.000 4.929 4.726) 6.829 4.397 ( 0.000 -1.680 -1.762) 2.435 4.450 ( 0.000 7.661 3.023) 8.236 4.519 ( 0.000 3.533 5.842) 6.827 4.632 ( 0.000 -0.819 -2.076) 2.231 4.641 ( 0.000 -0.284 -2.635) 2.650 4.698 ( 0.000 -4.388 4.368) 6.191 4.771 ( 0.000 -6.219 5.383) 8.225 5.025 ( 0.000 -1.690 -11.121) 11.249 5.049 ( 0.000 -2.754 -9.030) 9.440 5.249 ( 0.000 6.547 6.358) 9.126 5.275 ( 0.000 2.560 -2.324) 3.458 5.290 ( 0.000 3.433 -5.331) 6.340 5.399 ( 0.000 -4.830 -6.590) 8.170 5.518 ( 0.000 2.643 -3.622) 4.484 5.573 ( 0.000 -2.017 -8.154) 8.400 5.757 ( 0.000 1.382 3.370) 3.642 5.809 ( 0.000 -2.690 -0.538) 2.743 5.969 ( 0.000 0.143 -0.661) 0.677 5.981 ( 0.000 -1.376 -1.990) 2.419 6.255 ( 0.000 3.888 1.567) 4.192 6.279 ( 0.000 3.509 0.339) 3.525 6.397 ( 0.000 -0.107 1.319) 1.323 6.474 ( 0.000 -5.026 -5.064) 7.135 6.545 ( 0.000 2.930 6.597) 7.218 6.623 ( 0.000 -4.578 2.520) 5.225 6.739 ( 0.000 1.044 -2.088) 2.335 6.751 ( 0.000 -0.229 -0.368) 0.433 6.949 ( 0.000 -0.127 0.850) 0.859 6.963 ( 0.000 -1.245 -0.269) 1.273 7.181 ( 0.000 0.120 -1.536) 1.541 7.210 ( 0.000 -2.445 -4.162) 4.827 7.631 ( 0.000 8.648 5.320) 10.154 7.695 ( 0.000 3.474 -0.291) 3.486 7.872 ( 0.000 -0.889 0.117) 0.897 7.899 ( 0.000 -3.785 -1.570) 4.097 8.041 ( 0.000 1.531 1.574) 2.196 8.105 ( 0.000 -3.911 -2.722) 4.765 8.299 ( 0.000 1.141 -0.455) 1.228 8.322 ( 0.000 -0.918 -3.339) 3.463 8.563 ( 0.000 3.543 4.612) 5.816 8.623 ( 0.000 -0.043 -0.557) 0.559 8.763 ( 0.000 -6.674 -0.022) 6.675 8.792 ( 0.000 -7.244 -2.107) 7.544 9.379 ( 0.000 4.948 -0.693) 4.996 9.395 ( 0.000 3.692 -2.332) 4.367 9.555 ( 0.000 3.144 0.908) 3.272 9.580 ( 0.000 1.446 -1.529) 2.105 9.847 ( 0.000 -0.414 0.608) 0.735 9.856 ( 0.000 -0.593 -0.282) 0.656 10.219 ( 0.000 -1.356 2.868) 3.173 10.226 ( 0.000 -2.236 2.304) 3.211 10.369 ( 0.000 2.073 0.574) 2.151 10.376 ( 0.000 1.426 0.186) 1.438 10.549 ( 0.000 1.077 1.638) 1.960 10.568 ( 0.000 0.021 0.145) 0.147 10.667 ( 0.000 -2.462 1.904) 3.112 10.711 ( 0.000 -5.536 -1.844) 5.835 10.932 ( 0.000 3.416 2.771) 4.399 10.946 ( 0.000 2.810 2.246) 3.597 11.081 ( 0.000 3.030 3.349) 4.516 11.160 ( 0.000 -3.458 -2.883) 4.502 11.420 ( 0.000 2.726 4.033) 4.868 11.487 ( 0.000 -2.982 -0.756) 3.077 11.663 ( 0.000 -0.960 -2.097) 2.307 11.720 ( 0.000 -6.000 -6.387) 8.763 11.995 ( 0.000 9.510 1.955) 9.709 12.060 ( 0.000 6.685 -4.552) 8.087 12.243 ( 0.000 -6.382 2.406) 6.820 12.268 ( 0.000 -5.475 -0.609) 5.508 12.469 ( 0.000 1.301 2.235) 2.586 12.483 ( 0.000 0.286 1.511) 1.538 12.636 ( 0.000 0.610 -0.404) 0.732 12.679 ( 0.000 -3.132 -3.677) 4.830 13.131 ( 0.000 0.320 -0.696) 0.766 13.137 ( 0.000 -0.268 -1.191) 1.221 13.287 ( 0.000 1.183 -3.508) 3.702 13.295 ( 0.000 0.399 -4.199) 4.218 14.021 ( 0.000 0.285 -1.649) 1.673 14.027 ( 0.000 -0.329 -2.261) 2.284 14.341 ( 0.000 1.158 0.200) 1.175 14.346 ( 0.000 0.657 -0.303) 0.723 15.310 ( 0.000 1.734 4.241) 4.581 15.362 ( 0.000 -3.011 -0.805) 3.117 16.406 ( 0.000 -1.060 3.309) 3.474 16.446 ( 0.000 -5.107 0.176) 5.110 16.726 ( 0.000 4.378 -0.441) 4.400 16.732 ( 0.000 3.355 -0.349) 3.373 17.526 ( 0.000 -1.818 0.853) 2.008 17.541 ( 0.000 -3.127 -0.523) 3.170 17.713 ( 0.000 2.215 0.155) 2.221 17.728 ( 0.000 0.878 -1.159) 1.454 18.104 ( 0.000 0.309 -0.425) 0.525 18.110 ( 0.000 -0.201 -0.909) 0.931 ======================= Grid point 118 (47/50) ======================= q-point: ( 0.11 0.33 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 122 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.608 ( 2.451 4.594 8.549) 10.010 1.733 ( 2.208 -7.417 -2.785) 8.224 1.973 ( 0.956 1.773 2.095) 2.906 2.035 ( 1.374 -3.649 -3.559) 5.279 2.348 ( 10.600 3.329 9.516) 14.629 2.400 ( 11.283 -1.508 4.946) 12.411 2.589 ( 4.243 3.863 19.038) 19.883 2.607 ( 1.721 13.149 6.718) 14.866 2.688 ( 2.411 -4.661 8.345) 9.858 2.832 ( 3.358 1.850 0.244) 3.842 2.889 ( 1.804 -12.072 0.146) 12.207 2.935 ( 0.986 -5.740 -3.759) 6.932 3.028 ( 3.465 1.736 -11.871) 12.488 3.141 ( 3.650 -8.642 -12.056) 15.276 3.280 ( 2.618 7.576 2.285) 8.335 3.302 ( 4.549 6.371 1.436) 7.959 3.473 ( 3.632 7.351 -0.257) 8.203 3.485 ( 4.925 1.967 -1.061) 5.408 3.552 ( 2.187 -1.337 2.961) 3.917 3.641 ( -0.140 0.710 -0.876) 1.136 3.658 ( 3.874 -2.210 -3.944) 5.954 3.676 ( 1.815 -1.256 -5.371) 5.807 3.940 ( 0.306 -5.039 7.989) 9.451 3.970 ( 1.671 -6.486 6.532) 9.356 4.113 ( -2.036 1.203 6.983) 7.372 4.146 ( -1.158 -1.926 4.503) 5.032 4.342 ( 0.620 4.030 3.377) 5.294 4.397 ( -1.120 -0.148 0.413) 1.203 4.436 ( 1.076 7.178 3.581) 8.094 4.534 ( 0.225 1.586 4.723) 4.987 4.587 ( -3.634 -1.380 -3.655) 5.336 4.628 ( -0.813 -2.713 0.171) 2.837 4.708 ( 1.397 1.594 -0.297) 2.140 4.829 ( 4.457 -6.315 3.254) 8.386 4.954 ( -5.855 0.831 -8.583) 10.423 5.018 ( -2.803 -4.481 -4.569) 6.986 5.249 ( -2.230 2.485 -2.407) 4.116 5.252 ( -2.971 1.957 -3.156) 4.756 5.298 ( 3.273 7.384 1.959) 8.311 5.424 ( 2.453 -4.668 -5.730) 7.787 5.535 ( 1.434 2.410 -2.738) 3.919 5.590 ( 1.185 -2.546 -7.014) 7.556 5.742 ( -1.269 3.901 2.155) 4.633 5.813 ( -0.208 -2.174 -2.941) 3.663 5.992 ( 2.030 -2.183 0.040) 2.981 5.998 ( 1.639 -2.520 -0.732) 3.094 6.216 ( -4.525 1.465 1.191) 4.903 6.227 ( -4.671 0.837 0.276) 4.754 6.381 ( -1.285 1.576 0.479) 2.089 6.415 ( -3.705 -0.979 -2.299) 4.468 6.555 ( 1.001 1.719 5.504) 5.852 6.612 ( 0.416 -3.699 2.365) 4.410 6.761 ( 2.926 3.484 -0.541) 4.582 6.819 ( 4.305 -1.876 -3.419) 5.809 6.969 ( 1.922 0.153 0.835) 2.101 6.989 ( 2.357 -1.356 -0.697) 2.807 7.263 ( 6.976 -0.243 -0.357) 6.989 7.286 ( 6.254 -2.107 -2.496) 7.056 7.626 ( -0.504 8.134 5.178) 9.656 7.696 ( 0.057 2.694 -0.451) 2.733 7.847 ( -2.528 -0.228 -0.434) 2.575 7.880 ( -2.541 -2.198 -2.906) 4.443 8.016 ( -1.383 0.244 2.972) 3.287 8.091 ( -1.215 -5.944 -3.034) 6.783 8.260 ( -3.080 1.193 0.040) 3.303 8.292 ( -2.715 -1.939 -2.907) 4.425 8.538 ( -2.422 3.419 3.293) 5.330 8.573 ( -4.231 0.962 0.179) 4.342 8.781 ( 1.785 -4.320 0.307) 4.684 8.807 ( 1.945 -5.771 -1.882) 6.374 9.334 ( -3.907 3.515 -0.799) 5.316 9.345 ( -4.097 2.387 -1.896) 5.106 9.579 ( 1.864 3.190 0.679) 3.756 9.594 ( 1.261 2.220 -0.768) 2.666 9.817 ( -2.773 -0.514 0.716) 2.909 9.830 ( -2.504 -0.991 -0.508) 2.740 10.210 ( -1.027 -1.619 3.030) 3.586 10.213 ( -1.056 -1.832 2.624) 3.370 10.356 ( -1.762 1.858 0.025) 2.561 10.358 ( -1.538 1.665 -0.268) 2.282 10.632 ( 6.233 2.476 2.263) 7.078 10.668 ( 7.864 1.230 -1.357) 8.074 10.723 ( 5.556 -5.119 1.318) 7.669 10.755 ( 4.731 -6.133 -1.526) 7.895 11.008 ( 6.848 3.953 3.857) 8.798 11.036 ( 8.038 2.379 2.689) 8.803 11.119 ( 3.899 3.716 2.885) 6.110 11.199 ( 3.873 -2.589 -2.862) 5.467 11.426 ( 0.778 2.243 4.009) 4.659 11.491 ( 0.573 -3.142 -0.777) 3.287 11.679 ( 1.816 -1.044 -1.126) 2.379 11.738 ( 1.524 -6.210 -5.756) 8.604 11.974 ( -1.843 8.799 2.745) 9.399 12.054 ( -1.092 4.251 -4.522) 6.302 12.240 ( 0.436 -3.587 1.939) 4.101 12.283 ( 0.865 -4.775 -2.042) 5.265 12.469 ( 0.087 1.770 1.700) 2.455 12.488 ( 0.495 0.116 0.257) 0.570 12.640 ( 0.229 0.440 0.380) 0.625 12.680 ( -0.089 -2.916 -2.778) 4.028 13.250 ( 11.987 0.061 -1.423) 12.071 13.254 ( 11.888 -0.296 -1.772) 12.023 13.381 ( 8.612 0.811 -3.463) 9.318 13.385 ( 8.567 0.456 -3.702) 9.344 14.063 ( 4.337 0.254 -1.233) 4.516 14.069 ( 4.293 -0.348 -1.846) 4.686 14.373 ( 2.865 1.361 0.506) 3.212 14.382 ( 3.156 0.527 -0.325) 3.216 15.316 ( 1.021 1.532 3.436) 3.898 15.365 ( 0.759 -2.982 -1.359) 3.364 16.329 ( -7.432 -0.872 3.052) 8.081 16.364 ( -7.839 -4.422 0.288) 9.005 16.606 ( -11.490 3.657 -0.228) 12.060 16.609 ( -11.546 3.178 -0.256) 11.978 17.420 ( -10.593 -1.236 1.029) 10.714 17.437 ( -10.473 -2.682 -0.473) 10.821 17.640 ( -6.949 1.839 0.021) 7.188 17.654 ( -6.980 0.516 -1.288) 7.116 18.022 ( -7.991 0.310 -0.564) 8.017 18.028 ( -7.953 -0.247 -1.101) 8.032 ======================= Grid point 119 (48/50) ======================= q-point: ( 0.22 0.33 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 122 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.675 ( 4.109 4.429 7.411) 9.561 1.792 ( 3.411 -5.758 -3.035) 7.348 2.001 ( 1.914 -0.236 3.334) 3.851 2.066 ( 1.669 -5.208 -2.423) 5.981 2.565 ( 7.268 9.548 4.571) 12.841 2.639 ( 5.946 6.599 -1.313) 8.979 2.678 ( 6.694 1.024 12.752) 14.438 2.720 ( 11.395 3.689 10.373) 15.845 2.773 ( 7.575 -2.091 5.539) 9.615 2.867 ( 2.255 0.686 1.349) 2.715 2.948 ( 1.557 -6.203 -0.355) 6.406 2.977 ( 3.954 -10.744 3.231) 11.896 3.094 ( 2.206 1.428 -9.844) 10.188 3.173 ( -0.275 -4.803 -8.896) 10.113 3.396 ( 6.325 6.187 -0.668) 8.873 3.408 ( 4.745 5.699 0.609) 7.440 3.546 ( 3.134 2.213 1.212) 4.024 3.578 ( 4.247 -5.074 -1.451) 6.774 3.627 ( 3.457 2.584 3.002) 5.257 3.670 ( 4.846 2.610 0.362) 5.516 3.744 ( 6.565 1.570 -1.498) 6.914 3.789 ( 8.105 -3.161 -2.153) 8.962 3.920 ( -2.117 -4.073 5.245) 6.970 3.973 ( -2.328 -7.275 0.938) 7.696 4.119 ( 2.840 2.836 4.746) 6.216 4.152 ( 2.649 -1.433 2.713) 4.053 4.367 ( 2.802 2.806 4.915) 6.315 4.384 ( 0.713 2.231 4.787) 5.329 4.449 ( -1.671 -0.688 -2.220) 2.862 4.495 ( -4.099 -3.928 -3.387) 6.610 4.554 ( 2.362 3.846 2.417) 5.120 4.628 ( -0.097 -2.494 0.046) 2.497 4.735 ( 0.716 5.891 -5.552) 8.127 4.816 ( -5.870 0.169 -9.030) 10.771 4.938 ( 4.699 -2.171 6.514) 8.321 4.975 ( 0.035 -3.895 3.531) 5.257 5.180 ( -3.660 1.672 -5.803) 7.062 5.196 ( -2.093 0.346 -7.124) 7.433 5.374 ( 3.564 5.783 5.314) 8.624 5.480 ( 2.015 -4.034 -1.781) 4.848 5.558 ( 0.359 1.700 -1.489) 2.288 5.589 ( -1.540 -1.347 -4.390) 4.843 5.708 ( -2.440 5.448 -1.425) 6.137 5.784 ( -2.855 -1.236 -6.056) 6.808 6.019 ( -0.668 -4.643 1.257) 4.857 6.027 ( -0.547 -4.880 0.307) 4.920 6.104 ( -4.452 0.088 0.924) 4.547 6.121 ( -3.280 -1.503 -0.726) 3.680 6.370 ( 0.925 4.918 1.252) 5.158 6.396 ( 1.234 3.173 -1.390) 3.677 6.581 ( 1.428 -0.363 4.280) 4.526 6.632 ( 1.191 -4.782 0.065) 4.929 6.843 ( 5.033 4.629 2.395) 7.245 6.911 ( 4.840 -1.402 -2.691) 5.712 7.025 ( 3.598 0.230 0.944) 3.727 7.053 ( 3.969 -1.931 -1.185) 4.570 7.392 ( 4.199 0.426 0.653) 4.271 7.398 ( 3.385 -0.024 0.046) 3.386 7.613 ( -0.839 7.167 4.140) 8.319 7.704 ( 0.957 2.611 -2.117) 3.495 7.754 ( -6.656 -1.039 -0.559) 6.760 7.802 ( -3.905 -1.664 -2.714) 5.038 8.022 ( 1.732 -3.498 1.925) 4.352 8.068 ( -1.018 -8.267 -2.123) 8.596 8.209 ( -1.409 1.266 1.058) 2.169 8.240 ( -1.526 -1.652 -1.453) 2.677 8.477 ( -3.310 4.646 0.684) 5.746 8.490 ( -3.401 3.587 -0.355) 4.956 8.837 ( 3.693 -1.130 1.400) 4.107 8.871 ( 4.137 -4.083 -1.801) 6.085 9.243 ( -4.821 1.315 -0.474) 5.020 9.254 ( -4.651 0.015 -1.594) 4.917 9.615 ( 1.407 2.800 0.728) 3.217 9.624 ( 1.527 2.695 -0.200) 3.104 9.745 ( -4.131 -0.947 0.903) 4.333 9.761 ( -4.105 -1.653 -0.638) 4.471 10.174 ( -2.102 0.485 3.516) 4.125 10.197 ( -0.746 -1.618 1.907) 2.610 10.301 ( -3.284 2.029 -0.083) 3.861 10.318 ( -2.388 0.311 -1.022) 2.616 10.742 ( 4.761 2.476 2.747) 6.029 10.786 ( 3.831 0.520 -1.444) 4.127 10.856 ( 6.050 -5.555 1.072) 8.283 10.881 ( 5.543 -6.206 -1.143) 8.399 11.162 ( 7.349 5.444 5.008) 10.427 11.218 ( 8.848 -0.294 5.588) 10.469 11.235 ( 7.153 6.916 -0.928) 9.993 11.308 ( 6.365 -0.509 -2.111) 6.725 11.454 ( 1.778 -0.111 4.119) 4.488 11.527 ( 3.435 -5.262 -1.956) 6.582 11.735 ( 2.644 0.638 -0.485) 2.762 11.776 ( 2.634 -3.761 -3.782) 5.949 11.946 ( 0.545 6.055 3.898) 7.222 12.025 ( -0.550 0.098 -2.062) 2.137 12.261 ( 1.323 -1.129 -0.208) 1.752 12.299 ( 0.850 -3.356 -3.018) 4.593 12.474 ( 0.419 2.707 0.587) 2.801 12.503 ( 0.939 -0.103 -1.921) 2.140 12.630 ( -1.563 0.641 0.518) 1.766 12.664 ( -1.815 -2.217 -2.277) 3.660 13.576 ( 9.944 0.695 -1.699) 10.113 13.584 ( 11.174 -0.171 -2.388) 11.428 13.616 ( 23.239 -0.295 -2.235) 23.348 13.618 ( 22.534 -0.373 -2.336) 22.657 14.201 ( 9.414 0.211 -0.402) 9.425 14.205 ( 9.343 -0.239 -0.882) 9.387 14.423 ( 0.949 1.487 0.825) 1.947 14.437 ( 1.040 0.232 -0.377) 1.130 15.384 ( 6.625 1.183 1.378) 6.869 15.426 ( 6.237 -2.736 -2.763) 7.350 16.131 ( -11.628 0.210 2.483) 11.892 16.159 ( -11.563 -2.789 0.078) 11.895 16.309 ( -16.510 2.264 0.194) 16.666 16.312 ( -16.357 1.823 0.024) 16.458 17.103 ( -20.747 -0.103 1.005) 20.772 17.122 ( -20.649 -1.817 -0.714) 20.741 17.456 ( -10.782 1.036 -0.173) 10.833 17.468 ( -10.968 -0.072 -1.287) 11.044 17.797 ( -14.022 0.298 -0.998) 14.061 17.803 ( -14.003 -0.312 -1.594) 14.097 ======================= Grid point 120 (49/50) ======================= q-point: ( 0.33 0.33 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 122 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.765 ( 4.624 5.879 5.503) 9.286 1.858 ( 2.781 0.306 -2.678) 3.873 2.046 ( 2.198 -7.017 3.026) 7.951 2.096 ( 1.138 -8.392 -1.450) 8.592 2.650 ( 2.908 14.670 0.475) 14.963 2.688 ( 0.812 10.729 -2.577) 11.064 2.780 ( 4.134 1.298 9.096) 10.075 2.843 ( 2.337 -3.645 4.472) 6.225 2.948 ( 0.465 -1.775 3.573) 4.017 3.011 ( 4.942 -7.925 2.116) 9.576 3.027 ( 11.003 -0.752 2.860) 11.393 3.049 ( 4.576 -4.999 -0.241) 6.782 3.118 ( 0.947 0.468 -3.270) 3.437 3.178 ( 3.283 -3.871 -2.463) 5.642 3.408 ( -2.026 5.606 3.820) 7.080 3.501 ( 1.415 -0.236 -2.313) 2.722 3.569 ( 0.793 -2.276 3.688) 4.406 3.649 ( 2.995 -6.084 -2.084) 7.095 3.735 ( 4.125 7.152 -0.534) 8.273 3.749 ( 1.545 5.862 -0.949) 6.137 3.883 ( 2.788 3.135 1.608) 4.493 3.897 ( -1.490 0.372 0.655) 1.669 3.953 ( 7.975 -4.074 1.073) 9.020 3.977 ( 9.697 -7.216 0.324) 12.092 4.180 ( 1.580 3.772 3.030) 5.090 4.224 ( 4.202 0.784 0.159) 4.277 4.354 ( -3.721 -0.555 -0.993) 3.891 4.404 ( -3.253 -4.947 -3.239) 6.749 4.464 ( 2.878 0.893 4.974) 5.816 4.496 ( 5.633 -1.654 2.032) 6.212 4.586 ( -2.776 0.291 -2.308) 3.622 4.610 ( 3.190 -2.050 -4.054) 5.551 4.744 ( 1.913 3.796 -1.847) 4.635 4.766 ( 1.618 2.225 -3.082) 4.131 5.004 ( 4.194 1.657 4.368) 6.278 5.051 ( 4.275 -2.206 3.099) 5.723 5.145 ( 0.936 2.171 -7.569) 7.930 5.179 ( 0.230 -1.130 -7.151) 7.243 5.406 ( -1.636 1.896 6.735) 7.186 5.431 ( -6.589 -0.107 4.650) 8.066 5.536 ( -3.872 0.857 -3.769) 5.472 5.559 ( -0.996 0.219 -6.659) 6.736 5.633 ( -4.143 1.174 -0.548) 4.340 5.705 ( -4.308 -4.522 -5.906) 8.596 5.958 ( -2.336 3.631 1.794) 4.676 5.985 ( -1.672 3.904 -0.747) 4.312 6.089 ( 1.018 -6.497 1.899) 6.845 6.120 ( 0.916 -6.965 -1.064) 7.105 6.410 ( 2.545 6.801 1.845) 7.492 6.439 ( 2.416 5.587 -1.082) 6.182 6.606 ( 1.037 -3.318 3.592) 4.999 6.650 ( 0.385 -6.066 -0.453) 6.095 6.956 ( 6.055 4.454 3.497) 8.290 7.012 ( 5.147 -0.094 -1.183) 5.282 7.111 ( 4.843 -0.494 1.489) 5.091 7.143 ( 4.738 -2.641 -1.070) 5.529 7.397 ( -2.747 1.728 1.467) 3.561 7.402 ( -2.633 1.033 0.969) 2.989 7.558 ( -5.330 4.134 0.916) 6.807 7.589 ( -8.205 1.720 -1.835) 8.582 7.764 ( 3.812 -0.388 0.429) 3.855 7.787 ( 3.127 -1.791 -1.427) 3.876 8.029 ( -2.113 -6.272 0.690) 6.654 8.042 ( -1.848 -7.718 -0.799) 7.977 8.228 ( 3.495 2.625 1.254) 4.547 8.257 ( 3.060 0.116 -1.132) 3.265 8.422 ( -2.052 5.860 -1.030) 6.294 8.438 ( -1.956 4.823 -2.376) 5.721 8.922 ( 4.507 0.310 2.138) 4.998 8.960 ( 4.407 -2.985 -1.480) 5.524 9.152 ( -3.935 -0.745 0.121) 4.007 9.168 ( -3.801 -2.182 -1.252) 4.558 9.628 ( -0.162 1.960 0.661) 2.075 9.635 ( -1.104 1.728 0.068) 2.052 9.668 ( -2.740 -0.954 0.535) 2.951 9.676 ( -3.980 -1.695 -0.221) 4.331 10.137 ( -1.357 3.955 3.398) 5.388 10.180 ( -1.252 1.539 -0.050) 1.985 10.244 ( -1.822 -0.608 1.149) 2.238 10.274 ( -1.792 -1.867 -1.041) 2.789 10.817 ( 2.522 2.548 1.598) 3.925 10.838 ( 1.427 1.716 -0.451) 2.277 10.936 ( 2.259 -6.673 1.021) 7.118 10.949 ( 1.642 -7.101 -0.194) 7.291 11.278 ( 4.440 7.562 5.080) 10.135 11.349 ( 3.909 6.906 -0.397) 7.945 11.377 ( 6.230 0.909 5.143) 8.129 11.434 ( 5.665 -1.024 -0.021) 5.757 11.496 ( 2.843 -2.399 4.230) 5.633 11.596 ( 2.449 -7.700 -3.854) 8.952 11.734 ( -1.957 5.091 1.263) 5.599 11.793 ( -2.436 -0.229 -3.944) 4.641 12.070 ( 10.430 0.766 3.637) 11.073 12.106 ( 9.254 -2.190 1.403) 9.613 12.289 ( 1.521 -0.619 -1.342) 2.121 12.323 ( 1.675 -3.232 -3.447) 5.014 12.482 ( 0.230 3.427 0.634) 3.493 12.522 ( 0.673 -0.400 -2.621) 2.736 12.579 ( -3.036 1.481 -0.601) 3.431 12.606 ( -3.688 -1.181 -2.715) 4.729 13.727 ( 5.883 0.690 -0.261) 5.929 13.742 ( 5.881 -0.647 -1.535) 6.112 14.156 ( 26.872 -0.851 -0.803) 26.897 14.158 ( 26.556 -1.085 -0.963) 26.596 14.368 ( -5.362 1.453 0.214) 5.559 14.375 ( -5.343 0.540 -0.404) 5.385 14.431 ( 12.758 0.527 0.077) 12.769 14.442 ( 12.944 -0.329 -1.002) 12.987 15.593 ( 13.522 1.061 -0.087) 13.564 15.627 ( 12.879 -2.115 -3.216) 13.442 15.870 ( -13.765 1.841 1.701) 13.992 15.896 ( -14.860 -0.687 -0.581) 14.887 16.050 ( -6.414 0.674 0.890) 6.511 16.064 ( -6.503 -0.561 -0.406) 6.540 16.609 ( -27.694 0.579 0.435) 27.704 16.629 ( -27.750 -1.201 -1.291) 27.806 17.233 ( -10.533 0.463 -0.545) 10.557 17.240 ( -10.810 -0.203 -1.230) 10.881 17.483 ( -16.461 0.285 -1.633) 16.544 17.490 ( -16.432 -0.365 -2.290) 16.594 ======================= Grid point 121 (50/50) ======================= q-point: ( 0.44 0.33 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 122 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.850 ( 3.448 7.823 3.153) 9.112 1.888 ( -0.116 6.972 -0.043) 6.974 2.082 ( 1.506 -13.059 0.730) 13.165 2.104 ( -0.446 -12.228 -1.090) 12.285 2.690 ( 1.171 13.761 0.040) 13.811 2.701 ( 0.315 13.324 -0.928) 13.359 2.854 ( 3.318 0.241 4.443) 5.551 2.891 ( 1.367 -5.705 2.429) 6.349 2.934 ( -0.172 3.317 0.572) 3.370 2.989 ( -3.592 -2.967 -2.893) 5.484 3.097 ( 1.063 -8.247 1.744) 8.497 3.106 ( -0.022 -7.900 -0.089) 7.901 3.244 ( 6.624 2.945 3.655) 8.118 3.304 ( 3.855 1.788 -0.406) 4.269 3.366 ( 0.395 -0.271 8.444) 8.458 3.456 ( -4.488 -5.147 3.245) 7.561 3.627 ( 4.121 2.432 -0.701) 4.836 3.702 ( 0.798 -2.893 -4.508) 5.415 3.717 ( -1.970 -0.796 0.238) 2.138 3.747 ( -1.921 -1.954 -1.799) 3.278 3.917 ( 2.588 11.178 1.155) 11.531 3.928 ( 1.776 10.577 0.094) 10.726 4.129 ( 4.177 -5.407 1.144) 6.927 4.136 ( 7.590 -6.404 0.415) 9.939 4.187 ( -0.745 1.947 4.478) 4.940 4.265 ( -2.420 -2.640 -2.168) 4.187 4.286 ( -0.800 -3.176 0.878) 3.390 4.327 ( -3.706 -4.366 -2.243) 6.150 4.482 ( 2.023 4.843 0.732) 5.300 4.529 ( -1.450 4.547 -2.992) 5.633 4.599 ( 2.255 -2.637 -0.016) 3.470 4.646 ( -1.502 -3.278 -3.933) 5.335 4.879 ( 10.424 2.727 0.124) 10.775 4.900 ( 10.367 1.067 -1.929) 10.599 5.075 ( -2.686 -0.409 0.117) 2.720 5.090 ( -1.224 -1.724 -1.142) 2.403 5.177 ( 1.744 2.304 -1.813) 3.412 5.207 ( 4.101 -0.302 -4.299) 5.949 5.289 ( -5.805 -1.072 2.006) 6.234 5.300 ( -6.800 -1.813 1.171) 7.134 5.457 ( -1.999 5.846 -0.331) 6.187 5.499 ( -4.400 6.147 -4.046) 8.574 5.591 ( 0.524 -6.064 -0.265) 6.092 5.634 ( -2.990 -6.425 -3.999) 8.138 5.950 ( 0.920 7.004 1.497) 7.221 5.969 ( -0.611 7.002 -0.226) 7.032 6.111 ( 1.072 -8.424 1.514) 8.626 6.127 ( -0.336 -8.319 -0.000) 8.326 6.456 ( 1.809 8.523 1.569) 8.853 6.472 ( 0.487 8.474 0.086) 8.489 6.626 ( 1.037 -6.864 2.437) 7.357 6.646 ( -0.722 -7.407 0.579) 7.465 7.077 ( 5.392 4.633 2.677) 7.596 7.107 ( 3.394 3.180 -0.091) 4.652 7.197 ( 2.450 -3.158 1.952) 4.448 7.219 ( 1.231 -3.701 0.013) 3.901 7.343 ( -0.369 1.937 0.799) 2.128 7.348 ( -0.012 1.530 0.272) 1.554 7.429 ( -6.595 1.453 -0.043) 6.753 7.436 ( -6.568 0.888 -0.871) 6.685 7.856 ( 5.059 -0.384 1.400) 5.264 7.880 ( 5.137 -2.632 -0.869) 5.837 7.957 ( -4.569 -3.037 1.677) 5.737 7.979 ( -4.266 -5.424 -0.597) 6.927 8.310 ( 3.820 4.123 -0.465) 5.640 8.333 ( 3.264 2.252 -2.581) 4.731 8.384 ( -1.786 4.406 -1.261) 4.918 8.402 ( -1.900 2.867 -2.970) 4.544 9.006 ( 3.557 0.327 1.731) 3.969 9.031 ( 2.027 -1.084 -0.625) 2.382 9.092 ( -1.890 -3.250 0.826) 3.849 9.105 ( -2.438 -3.726 -0.371) 4.468 9.603 ( -0.738 0.714 0.566) 1.173 9.610 ( -1.215 -0.142 -0.133) 1.230 9.621 ( -1.037 -0.007 0.502) 1.152 9.631 ( -1.624 -0.513 -0.371) 1.743 10.126 ( 0.338 5.945 1.967) 6.271 10.147 ( -1.579 5.508 0.130) 5.732 10.234 ( 0.378 -3.675 1.119) 3.861 10.247 ( -0.910 -3.443 -0.059) 3.561 10.846 ( 0.573 3.185 0.464) 3.269 10.850 ( 0.053 3.034 0.014) 3.034 10.961 ( 0.497 -8.126 0.661) 8.168 10.964 ( 0.140 -8.277 0.356) 8.286 11.351 ( 2.824 8.653 4.050) 9.962 11.384 ( -0.187 9.193 1.134) 9.265 11.469 ( 2.951 -2.096 5.529) 6.608 11.496 ( 0.485 -2.780 2.856) 4.014 11.588 ( 5.498 -0.164 0.062) 5.500 11.636 ( 2.067 -3.899 -2.473) 5.059 11.684 ( -2.800 1.469 1.167) 3.371 11.714 ( -4.569 -0.975 -1.053) 4.789 12.251 ( 6.300 0.610 2.017) 6.643 12.298 ( 4.032 -0.982 -2.059) 4.632 12.324 ( 3.793 -3.527 0.569) 5.210 12.364 ( 1.730 -4.703 -2.777) 5.729 12.477 ( -0.225 3.957 1.187) 4.137 12.506 ( -1.674 2.926 -0.578) 3.420 12.532 ( -1.896 0.039 -1.210) 2.249 12.546 ( -1.474 0.322 -2.091) 2.579 13.864 ( 9.054 0.588 -0.577) 9.091 13.876 ( 8.855 -0.475 -1.537) 9.000 14.106 ( -13.486 -0.025 -0.652) 13.502 14.116 ( -13.504 -0.926 -1.464) 13.615 14.646 ( 13.640 1.749 2.379) 13.955 14.678 ( 13.090 -1.030 2.592) 13.384 14.685 ( 12.075 1.715 -1.212) 12.256 14.724 ( 11.018 -1.593 -1.523) 11.236 15.694 ( 2.338 0.682 0.476) 2.482 15.704 ( 1.789 -0.267 -0.207) 1.820 15.861 ( 10.026 0.937 -0.501) 10.082 15.886 ( 9.212 -1.278 -2.802) 9.713 15.994 ( -2.012 0.348 0.519) 2.107 16.006 ( -2.882 -0.808 -0.667) 3.066 16.043 ( -25.333 0.947 -0.352) 25.353 16.059 ( -25.781 -0.519 -1.704) 25.843 17.086 ( -2.443 0.270 -1.409) 2.833 17.090 ( -2.368 -0.061 -1.868) 3.016 17.184 ( -11.491 0.187 -2.061) 11.676 17.192 ( -11.584 -0.448 -2.765) 11.918 =================== 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 3/29160 10.0 753.347 564.570 799.485 0.000 0.000 -0.000 3/29160 20.0 190.555 120.241 238.405 0.000 0.000 0.000 3/29160 30.0 84.378 49.437 101.944 0.000 0.000 0.000 3/29160 40.0 49.074 27.781 57.511 0.000 0.000 0.000 3/29160 50.0 32.998 18.306 37.636 0.000 0.000 0.000 3/29160 60.0 24.210 13.250 26.986 0.000 0.000 0.000 3/29160 70.0 18.809 10.198 20.578 0.000 0.000 0.000 3/29160 80.0 15.217 8.197 16.399 0.000 0.000 0.000 3/29160 90.0 12.691 6.805 13.509 0.000 0.000 0.000 3/29160 100.0 10.839 5.792 11.418 0.000 0.000 0.000 3/29160 110.0 9.437 5.028 9.851 0.000 0.000 0.000 3/29160 120.0 8.346 4.436 8.641 0.000 0.000 0.000 3/29160 130.0 7.479 3.965 7.685 0.000 0.000 0.000 3/29160 140.0 6.777 3.583 6.914 0.000 0.000 0.000 3/29160 150.0 6.198 3.268 6.280 0.000 0.000 0.000 3/29160 160.0 5.714 3.004 5.752 0.000 0.000 0.000 3/29160 170.0 5.303 2.780 5.305 0.000 0.000 0.000 3/29160 180.0 4.951 2.588 4.923 0.000 0.000 0.000 3/29160 190.0 4.645 2.421 4.593 0.000 0.000 0.000 3/29160 200.0 4.378 2.275 4.305 0.000 0.000 0.000 3/29160 210.0 4.142 2.146 4.051 0.000 0.000 0.000 3/29160 220.0 3.932 2.031 3.827 0.000 0.000 0.000 3/29160 230.0 3.743 1.928 3.626 0.000 0.000 0.000 3/29160 240.0 3.573 1.836 3.446 0.000 0.000 0.000 3/29160 250.0 3.419 1.752 3.284 0.000 0.000 0.000 3/29160 260.0 3.279 1.676 3.137 0.000 0.000 0.000 3/29160 270.0 3.150 1.606 3.002 0.000 0.000 0.000 3/29160 280.0 3.032 1.542 2.879 0.000 0.000 0.000 3/29160 290.0 2.922 1.483 2.766 0.000 0.000 0.000 3/29160 300.0 2.821 1.429 2.662 0.000 0.000 0.000 3/29160 310.0 2.727 1.379 2.566 0.000 0.000 0.000 3/29160 320.0 2.639 1.332 2.476 0.000 0.000 0.000 3/29160 330.0 2.557 1.288 2.393 0.000 0.000 0.000 3/29160 340.0 2.480 1.247 2.315 0.000 0.000 0.000 3/29160 350.0 2.407 1.209 2.243 0.000 0.000 0.000 3/29160 360.0 2.339 1.173 2.175 0.000 0.000 0.000 3/29160 370.0 2.275 1.139 2.111 0.000 0.000 0.000 3/29160 380.0 2.214 1.107 2.051 0.000 0.000 0.000 3/29160 390.0 2.157 1.077 1.994 0.000 0.000 0.000 3/29160 400.0 2.102 1.049 1.940 0.000 0.000 0.000 3/29160 410.0 2.051 1.022 1.889 0.000 0.000 0.000 3/29160 420.0 2.001 0.996 1.841 0.000 0.000 0.000 3/29160 430.0 1.955 0.972 1.796 0.000 0.000 0.000 3/29160 440.0 1.910 0.949 1.752 0.000 0.000 0.000 3/29160 450.0 1.867 0.927 1.711 0.000 0.000 0.000 3/29160 460.0 1.826 0.906 1.672 0.000 0.000 0.000 3/29160 470.0 1.788 0.886 1.634 0.000 0.000 0.000 3/29160 480.0 1.750 0.866 1.598 0.000 0.000 0.000 3/29160 490.0 1.714 0.848 1.564 0.000 0.000 0.000 3/29160 500.0 1.680 0.830 1.531 0.000 0.000 0.000 3/29160 510.0 1.647 0.814 1.500 0.000 0.000 0.000 3/29160 520.0 1.615 0.797 1.469 0.000 0.000 0.000 3/29160 530.0 1.585 0.782 1.441 0.000 0.000 0.000 3/29160 540.0 1.556 0.767 1.413 0.000 0.000 0.000 3/29160 550.0 1.527 0.753 1.386 0.000 0.000 0.000 3/29160 560.0 1.500 0.739 1.360 0.000 0.000 0.000 3/29160 570.0 1.474 0.725 1.335 0.000 0.000 0.000 3/29160 580.0 1.448 0.713 1.312 0.000 0.000 0.000 3/29160 590.0 1.424 0.700 1.289 0.000 0.000 0.000 3/29160 600.0 1.400 0.688 1.266 0.000 0.000 0.000 3/29160 610.0 1.377 0.677 1.245 0.000 0.000 0.000 3/29160 620.0 1.355 0.666 1.224 0.000 0.000 0.000 3/29160 630.0 1.333 0.655 1.204 0.000 0.000 0.000 3/29160 640.0 1.313 0.644 1.185 0.000 0.000 0.000 3/29160 650.0 1.293 0.634 1.166 0.000 0.000 0.000 3/29160 660.0 1.273 0.624 1.148 0.000 0.000 0.000 3/29160 670.0 1.254 0.615 1.130 0.000 0.000 0.000 3/29160 680.0 1.236 0.606 1.113 0.000 0.000 0.000 3/29160 690.0 1.218 0.597 1.097 0.000 0.000 0.000 3/29160 700.0 1.200 0.588 1.081 0.000 0.000 0.000 3/29160 710.0 1.184 0.580 1.065 0.000 0.000 0.000 3/29160 720.0 1.167 0.571 1.050 0.000 0.000 0.000 3/29160 730.0 1.151 0.563 1.035 0.000 0.000 0.000 3/29160 740.0 1.136 0.556 1.021 0.000 0.000 0.000 3/29160 750.0 1.121 0.548 1.007 0.000 0.000 0.000 3/29160 760.0 1.106 0.541 0.993 0.000 0.000 0.000 3/29160 770.0 1.091 0.534 0.980 0.000 0.000 0.000 3/29160 780.0 1.078 0.527 0.967 0.000 0.000 0.000 3/29160 790.0 1.064 0.520 0.955 0.000 0.000 0.000 3/29160 800.0 1.051 0.513 0.943 0.000 0.000 0.000 3/29160 810.0 1.038 0.507 0.931 0.000 0.000 0.000 3/29160 820.0 1.025 0.501 0.919 0.000 0.000 0.000 3/29160 830.0 1.013 0.495 0.908 0.000 0.000 0.000 3/29160 840.0 1.001 0.489 0.897 0.000 0.000 0.000 3/29160 850.0 0.989 0.483 0.886 0.000 0.000 0.000 3/29160 860.0 0.977 0.477 0.876 0.000 0.000 0.000 3/29160 870.0 0.966 0.472 0.866 0.000 0.000 0.000 3/29160 880.0 0.955 0.466 0.856 0.000 0.000 0.000 3/29160 890.0 0.945 0.461 0.846 0.000 0.000 0.000 3/29160 900.0 0.934 0.456 0.836 0.000 0.000 0.000 3/29160 910.0 0.924 0.451 0.827 0.000 0.000 0.000 3/29160 920.0 0.914 0.446 0.818 0.000 0.000 0.000 3/29160 930.0 0.904 0.441 0.809 0.000 0.000 0.000 3/29160 940.0 0.894 0.436 0.800 0.000 0.000 0.000 3/29160 950.0 0.885 0.431 0.792 0.000 0.000 0.000 3/29160 960.0 0.876 0.427 0.783 0.000 0.000 0.000 3/29160 970.0 0.867 0.423 0.775 0.000 0.000 0.000 3/29160 980.0 0.858 0.418 0.767 0.000 0.000 0.000 3/29160 990.0 0.849 0.414 0.759 0.000 0.000 0.000 3/29160 1000.0 0.841 0.410 0.752 0.000 0.000 0.000 3/29160 Thermal conductivity related properties were written into "kappa-m939.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 15:42:35]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|