----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-08 23:51:04]------------------------- Compiled with OpenMP support (max 128 threads). Running in phonopy.load mode. Python version 3.14.2 Spglib version 2.6.1 Crystal structure was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". Unit of length: angstrom Settings: Supercell: [1 2 2] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: Pnma (62) Number of symmetry operations in supercell: 32 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 12.358942350000000 0.000000000000000 0.000000000000000 b 0.000000000000000 5.738499570000000 0.000000000000000 c 0.000000000000000 0.000000000000000 7.186928210000001 Atomic positions (fractional): *1 Ta 0.15483918997823 0.25000000000000 0.53228114830610 180.948 2 Ta 0.34516081002177 0.75000000000000 0.03228114830610 180.948 3 Ta 0.65483918997823 0.25000000000000 0.96771885169390 180.948 4 Ta 0.84516081002177 0.75000000000000 0.46771885169390 180.948 *5 Nb 0.05589243910415 0.75000000000000 0.84906497507022 92.906 6 Nb 0.44410756089585 0.25000000000000 0.34906497507022 92.906 7 Nb 0.55589243910415 0.75000000000000 0.65093502492978 92.906 8 Nb 0.94410756089585 0.25000000000000 0.15093502492978 92.906 *9 O 0.00000000000000 0.00000000000000 0.00000000000000 15.999 10 O 0.00000000000000 0.50000000000000 0.00000000000000 15.999 *11 O 0.07591364532796 0.25000000000000 0.31247371443601 15.999 *12 O 0.12052085036552 0.98944177478728 0.66786066563330 15.999 13 O 0.12052085036552 0.51055822521272 0.66786066563330 15.999 *14 O 0.19741705940467 0.75000000000000 0.97960447438963 15.999 15 O 0.30258294059533 0.25000000000000 0.47960447438963 15.999 16 O 0.37947914963448 0.01055822521272 0.16786066563329 15.999 17 O 0.37947914963448 0.48944177478728 0.16786066563329 15.999 18 O 0.42408635467204 0.75000000000000 0.81247371443601 15.999 19 O 0.50000000000000 0.00000000000000 0.50000000000000 15.999 20 O 0.50000000000000 0.50000000000000 0.50000000000000 15.999 21 O 0.57591364532796 0.25000000000000 0.18752628556399 15.999 22 O 0.62052085036551 0.98944177478728 0.83213933436670 15.999 23 O 0.62052085036551 0.51055822521272 0.83213933436670 15.999 24 O 0.69741705940467 0.75000000000000 0.52039552561037 15.999 25 O 0.80258294059533 0.25000000000000 0.02039552561037 15.999 26 O 0.87947914963449 0.48944177478728 0.33213933436671 15.999 27 O 0.87947914963449 0.01055822521272 0.33213933436671 15.999 28 O 0.92408635467204 0.75000000000000 0.68752628556399 15.999 -------------------------------- unit cell --------------------------------- Lattice vectors: a 12.358942350000000 0.000000000000000 0.000000000000000 b 0.000000000000000 5.738499570000000 0.000000000000000 c 0.000000000000000 0.000000000000000 7.186928210000001 Atomic positions (fractional): *1 Ta 0.15483918997823 0.25000000000000 0.53228114830610 180.948 > 1 2 Ta 0.34516081002177 0.75000000000000 0.03228114830610 180.948 > 2 3 Ta 0.65483918997823 0.25000000000000 0.96771885169390 180.948 > 3 4 Ta 0.84516081002177 0.75000000000000 0.46771885169390 180.948 > 4 *5 Nb 0.05589243910415 0.75000000000000 0.84906497507022 92.906 > 5 6 Nb 0.44410756089585 0.25000000000000 0.34906497507022 92.906 > 6 7 Nb 0.55589243910415 0.75000000000000 0.65093502492978 92.906 > 7 8 Nb 0.94410756089585 0.25000000000000 0.15093502492978 92.906 > 8 *9 O 0.00000000000000 0.00000000000000 0.00000000000000 15.999 > 9 10 O 0.00000000000000 0.50000000000000 0.00000000000000 15.999 > 10 *11 O 0.07591364532796 0.25000000000000 0.31247371443601 15.999 > 11 *12 O 0.12052085036552 0.98944177478728 0.66786066563330 15.999 > 12 13 O 0.12052085036552 0.51055822521272 0.66786066563330 15.999 > 13 *14 O 0.19741705940467 0.75000000000000 0.97960447438963 15.999 > 14 15 O 0.30258294059533 0.25000000000000 0.47960447438963 15.999 > 15 16 O 0.37947914963448 0.01055822521272 0.16786066563329 15.999 > 16 17 O 0.37947914963448 0.48944177478728 0.16786066563329 15.999 > 17 18 O 0.42408635467204 0.75000000000000 0.81247371443601 15.999 > 18 19 O 0.50000000000000 0.00000000000000 0.50000000000000 15.999 > 19 20 O 0.50000000000000 0.50000000000000 0.50000000000000 15.999 > 20 21 O 0.57591364532796 0.25000000000000 0.18752628556399 15.999 > 21 22 O 0.62052085036551 0.98944177478728 0.83213933436670 15.999 > 22 23 O 0.62052085036551 0.51055822521272 0.83213933436670 15.999 > 23 24 O 0.69741705940467 0.75000000000000 0.52039552561037 15.999 > 24 25 O 0.80258294059533 0.25000000000000 0.02039552561037 15.999 > 25 26 O 0.87947914963449 0.48944177478728 0.33213933436671 15.999 > 26 27 O 0.87947914963449 0.01055822521272 0.33213933436671 15.999 > 27 28 O 0.92408635467204 0.75000000000000 0.68752628556399 15.999 > 28 -------------------------------- super cell -------------------------------- Lattice vectors: a 12.358942350000000 0.000000000000000 0.000000000000000 b 0.000000000000000 11.476999140000000 0.000000000000000 c 0.000000000000000 0.000000000000000 14.373856420000003 Atomic positions (fractional): *1 Ta 0.15483918997823 0.12500000000000 0.26614057415305 180.948 > 1 2 Ta 0.15483918997823 0.62500000000000 0.26614057415305 180.948 > 1 3 Ta 0.15483918997823 0.12500000000000 0.76614057415305 180.948 > 1 4 Ta 0.15483918997823 0.62500000000000 0.76614057415305 180.948 > 1 5 Ta 0.34516081002177 0.37500000000000 0.01614057415305 180.948 > 2 6 Ta 0.34516081002177 0.87500000000000 0.01614057415305 180.948 > 2 7 Ta 0.34516081002177 0.37500000000000 0.51614057415305 180.948 > 2 8 Ta 0.34516081002177 0.87500000000000 0.51614057415305 180.948 > 2 9 Ta 0.65483918997823 0.12500000000000 0.48385942584695 180.948 > 3 10 Ta 0.65483918997823 0.62500000000000 0.48385942584695 180.948 > 3 11 Ta 0.65483918997823 0.12500000000000 0.98385942584695 180.948 > 3 12 Ta 0.65483918997823 0.62500000000000 0.98385942584695 180.948 > 3 13 Ta 0.84516081002177 0.37500000000000 0.23385942584695 180.948 > 4 14 Ta 0.84516081002177 0.87500000000000 0.23385942584695 180.948 > 4 15 Ta 0.84516081002177 0.37500000000000 0.73385942584695 180.948 > 4 16 Ta 0.84516081002177 0.87500000000000 0.73385942584695 180.948 > 4 *17 Nb 0.05589243910415 0.37500000000000 0.42453248753511 92.906 > 5 18 Nb 0.05589243910415 0.87500000000000 0.42453248753511 92.906 > 5 19 Nb 0.05589243910415 0.37500000000000 0.92453248753511 92.906 > 5 20 Nb 0.05589243910415 0.87500000000000 0.92453248753511 92.906 > 5 21 Nb 0.44410756089585 0.12500000000000 0.17453248753511 92.906 > 6 22 Nb 0.44410756089585 0.62500000000000 0.17453248753511 92.906 > 6 23 Nb 0.44410756089585 0.12500000000000 0.67453248753511 92.906 > 6 24 Nb 0.44410756089585 0.62500000000000 0.67453248753511 92.906 > 6 25 Nb 0.55589243910415 0.37500000000000 0.32546751246489 92.906 > 7 26 Nb 0.55589243910415 0.87500000000000 0.32546751246489 92.906 > 7 27 Nb 0.55589243910415 0.37500000000000 0.82546751246489 92.906 > 7 28 Nb 0.55589243910415 0.87500000000000 0.82546751246489 92.906 > 7 29 Nb 0.94410756089585 0.12500000000000 0.07546751246489 92.906 > 8 30 Nb 0.94410756089585 0.62500000000000 0.07546751246489 92.906 > 8 31 Nb 0.94410756089585 0.12500000000000 0.57546751246489 92.906 > 8 32 Nb 0.94410756089585 0.62500000000000 0.57546751246489 92.906 > 8 *33 O 0.00000000000000 0.00000000000000 0.00000000000000 15.999 > 9 34 O 0.00000000000000 0.50000000000000 0.00000000000000 15.999 > 9 35 O 0.00000000000000 0.00000000000000 0.50000000000000 15.999 > 9 36 O 0.00000000000000 0.50000000000000 0.50000000000000 15.999 > 9 37 O 0.00000000000000 0.25000000000000 0.00000000000000 15.999 > 10 38 O 0.00000000000000 0.75000000000000 0.00000000000000 15.999 > 10 39 O 0.00000000000000 0.25000000000000 0.50000000000000 15.999 > 10 40 O 0.00000000000000 0.75000000000000 0.50000000000000 15.999 > 10 *41 O 0.07591364532796 0.12500000000000 0.15623685721801 15.999 > 11 42 O 0.07591364532796 0.62500000000000 0.15623685721801 15.999 > 11 43 O 0.07591364532796 0.12500000000000 0.65623685721801 15.999 > 11 44 O 0.07591364532796 0.62500000000000 0.65623685721801 15.999 > 11 *45 O 0.12052085036552 0.49472088739364 0.33393033281665 15.999 > 12 46 O 0.12052085036552 0.99472088739364 0.33393033281665 15.999 > 12 47 O 0.12052085036552 0.49472088739364 0.83393033281665 15.999 > 12 48 O 0.12052085036552 0.99472088739364 0.83393033281665 15.999 > 12 49 O 0.12052085036552 0.25527911260636 0.33393033281665 15.999 > 13 50 O 0.12052085036552 0.75527911260636 0.33393033281665 15.999 > 13 51 O 0.12052085036552 0.25527911260636 0.83393033281665 15.999 > 13 52 O 0.12052085036552 0.75527911260636 0.83393033281665 15.999 > 13 *53 O 0.19741705940467 0.37500000000000 0.48980223719481 15.999 > 14 54 O 0.19741705940467 0.87500000000000 0.48980223719481 15.999 > 14 55 O 0.19741705940467 0.37500000000000 0.98980223719481 15.999 > 14 56 O 0.19741705940467 0.87500000000000 0.98980223719481 15.999 > 14 57 O 0.30258294059533 0.12500000000000 0.23980223719481 15.999 > 15 58 O 0.30258294059533 0.62500000000000 0.23980223719481 15.999 > 15 59 O 0.30258294059533 0.12500000000000 0.73980223719481 15.999 > 15 60 O 0.30258294059533 0.62500000000000 0.73980223719481 15.999 > 15 61 O 0.37947914963448 0.00527911260636 0.08393033281665 15.999 > 16 62 O 0.37947914963448 0.50527911260636 0.08393033281665 15.999 > 16 63 O 0.37947914963448 0.00527911260636 0.58393033281665 15.999 > 16 64 O 0.37947914963448 0.50527911260636 0.58393033281665 15.999 > 16 65 O 0.37947914963448 0.24472088739364 0.08393033281665 15.999 > 17 66 O 0.37947914963448 0.74472088739364 0.08393033281665 15.999 > 17 67 O 0.37947914963448 0.24472088739364 0.58393033281665 15.999 > 17 68 O 0.37947914963448 0.74472088739364 0.58393033281665 15.999 > 17 69 O 0.42408635467204 0.37500000000000 0.40623685721801 15.999 > 18 70 O 0.42408635467204 0.87500000000000 0.40623685721801 15.999 > 18 71 O 0.42408635467204 0.37500000000000 0.90623685721801 15.999 > 18 72 O 0.42408635467204 0.87500000000000 0.90623685721801 15.999 > 18 73 O 0.50000000000000 0.00000000000000 0.25000000000000 15.999 > 19 74 O 0.50000000000000 0.50000000000000 0.25000000000000 15.999 > 19 75 O 0.50000000000000 0.00000000000000 0.75000000000000 15.999 > 19 76 O 0.50000000000000 0.50000000000000 0.75000000000000 15.999 > 19 77 O 0.50000000000000 0.25000000000000 0.25000000000000 15.999 > 20 78 O 0.50000000000000 0.75000000000000 0.25000000000000 15.999 > 20 79 O 0.50000000000000 0.25000000000000 0.75000000000000 15.999 > 20 80 O 0.50000000000000 0.75000000000000 0.75000000000000 15.999 > 20 81 O 0.57591364532796 0.12500000000000 0.09376314278199 15.999 > 21 82 O 0.57591364532796 0.62500000000000 0.09376314278199 15.999 > 21 83 O 0.57591364532796 0.12500000000000 0.59376314278199 15.999 > 21 84 O 0.57591364532796 0.62500000000000 0.59376314278199 15.999 > 21 85 O 0.62052085036551 0.49472088739364 0.41606966718335 15.999 > 22 86 O 0.62052085036551 0.99472088739364 0.41606966718335 15.999 > 22 87 O 0.62052085036551 0.49472088739364 0.91606966718335 15.999 > 22 88 O 0.62052085036551 0.99472088739364 0.91606966718335 15.999 > 22 89 O 0.62052085036551 0.25527911260636 0.41606966718335 15.999 > 23 90 O 0.62052085036551 0.75527911260636 0.41606966718335 15.999 > 23 91 O 0.62052085036551 0.25527911260636 0.91606966718335 15.999 > 23 92 O 0.62052085036551 0.75527911260636 0.91606966718335 15.999 > 23 93 O 0.69741705940467 0.37500000000000 0.26019776280519 15.999 > 24 94 O 0.69741705940467 0.87500000000000 0.26019776280519 15.999 > 24 95 O 0.69741705940467 0.37500000000000 0.76019776280519 15.999 > 24 96 O 0.69741705940467 0.87500000000000 0.76019776280519 15.999 > 24 97 O 0.80258294059533 0.12500000000000 0.01019776280519 15.999 > 25 98 O 0.80258294059533 0.62500000000000 0.01019776280519 15.999 > 25 99 O 0.80258294059533 0.12500000000000 0.51019776280519 15.999 > 25 100 O 0.80258294059533 0.62500000000000 0.51019776280519 15.999 > 25 101 O 0.87947914963449 0.24472088739364 0.16606966718335 15.999 > 26 102 O 0.87947914963449 0.74472088739364 0.16606966718335 15.999 > 26 103 O 0.87947914963449 0.24472088739364 0.66606966718335 15.999 > 26 104 O 0.87947914963449 0.74472088739364 0.66606966718335 15.999 > 26 105 O 0.87947914963449 0.00527911260636 0.16606966718335 15.999 > 27 106 O 0.87947914963449 0.50527911260636 0.16606966718335 15.999 > 27 107 O 0.87947914963449 0.00527911260636 0.66606966718335 15.999 > 27 108 O 0.87947914963449 0.50527911260636 0.66606966718335 15.999 > 27 109 O 0.92408635467204 0.37500000000000 0.34376314278199 15.999 > 28 110 O 0.92408635467204 0.87500000000000 0.34376314278199 15.999 > 28 111 O 0.92408635467204 0.37500000000000 0.84376314278199 15.999 > 28 112 O 0.92408635467204 0.87500000000000 0.84376314278199 15.999 > 28 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 4.5066053 0.0000000 0.0000000 0.0000000 4.7821309 0.0000000 0.0000000 0.0000000 4.5024300 -------------------------- Born effective charges -------------------------- 1 Ta 5.6360580 0.0000000 0.0923959 0.0000000 4.7336921 0.0000000 -0.4051039 0.0000000 5.1742363 2 Ta 5.6360580 0.0000000 -0.0923959 0.0000000 4.7336921 0.0000000 0.4051039 0.0000000 5.1742363 3 Ta 5.6360580 0.0000000 -0.0923959 0.0000000 4.7336921 0.0000000 0.4051039 0.0000000 5.1742363 4 Ta 5.6360580 0.0000000 0.0923959 0.0000000 4.7336921 0.0000000 -0.4051039 0.0000000 5.1742363 5 Nb 8.5027226 0.0000000 0.0419694 0.0000000 10.2363942 0.0000000 -0.0802772 0.0000000 8.9722999 6 Nb 8.5027226 0.0000000 -0.0419694 0.0000000 10.2363942 0.0000000 0.0802772 0.0000000 8.9722999 7 Nb 8.5027226 0.0000000 -0.0419694 0.0000000 10.2363942 0.0000000 0.0802772 0.0000000 8.9722999 8 Nb 8.5027226 0.0000000 0.0419694 0.0000000 10.2363942 0.0000000 -0.0802772 0.0000000 8.9722999 9 O -1.9500094 1.8673030 1.3558731 1.9673607 -5.6047846 -3.1166092 1.3581635 -2.9393275 -3.2698737 10 O -1.9500094 -1.8673030 1.3558731 -1.9673607 -5.6047846 3.1166092 1.3581635 2.9393275 -3.2698737 11 O -3.1826511 0.0000000 -2.5500388 0.0000000 -0.8483279 0.0000000 -2.7684420 0.0000000 -3.9366793 12 O -1.3296213 -1.0798566 0.8156601 -1.1921542 -3.8384616 2.3122521 0.9500520 2.3096971 -2.7047836 13 O -1.3296213 1.0798566 0.8156601 1.1921542 -3.8384616 -2.3122521 0.9500520 -2.3096971 -2.7047836 14 O -6.3468776 0.0000000 -1.8600263 0.0000000 -0.8400506 0.0000000 -1.9024179 0.0000000 -1.5304161 15 O -6.3468776 0.0000000 1.8600263 0.0000000 -0.8400506 0.0000000 1.9024179 0.0000000 -1.5304161 16 O -1.3296213 -1.0798566 -0.8156601 -1.1921542 -3.8384616 -2.3122521 -0.9500520 -2.3096971 -2.7047836 17 O -1.3296213 1.0798566 -0.8156601 1.1921542 -3.8384616 2.3122521 -0.9500520 2.3096971 -2.7047836 18 O -3.1826511 0.0000000 2.5500388 0.0000000 -0.8483279 0.0000000 2.7684420 0.0000000 -3.9366793 19 O -1.9500094 1.8673030 -1.3558731 1.9673607 -5.6047846 3.1166092 -1.3581635 2.9393275 -3.2698737 20 O -1.9500094 -1.8673030 -1.3558731 -1.9673607 -5.6047846 -3.1166092 -1.3581635 -2.9393275 -3.2698737 21 O -3.1826511 0.0000000 2.5500388 0.0000000 -0.8483279 0.0000000 2.7684420 0.0000000 -3.9366793 22 O -1.3296213 -1.0798566 -0.8156601 -1.1921542 -3.8384616 -2.3122521 -0.9500520 -2.3096971 -2.7047836 23 O -1.3296213 1.0798566 -0.8156601 1.1921542 -3.8384616 2.3122521 -0.9500520 2.3096971 -2.7047836 24 O -6.3468776 0.0000000 1.8600263 0.0000000 -0.8400506 0.0000000 1.9024179 0.0000000 -1.5304161 25 O -6.3468776 0.0000000 -1.8600263 0.0000000 -0.8400506 0.0000000 -1.9024179 0.0000000 -1.5304161 26 O -1.3296213 1.0798566 0.8156601 1.1921542 -3.8384616 -2.3122521 0.9500520 -2.3096971 -2.7047836 27 O -1.3296213 -1.0798566 0.8156601 -1.1921542 -3.8384616 2.3122521 0.9500520 2.3096971 -2.7047836 28 O -3.1826511 0.0000000 -2.5500388 0.0000000 -0.8483279 0.0000000 -2.7684420 0.0000000 -3.9366793 ---------------------------------------------------------------------------- Displacement-force dataset was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". -------------------------------- Symfc start ------------------------------- Symfc version 1.5.4 (https://github.com/symfc/symfc) Citation: A. Seko and A. Togo, Phys. Rev. B, 110, 214302 (2024) Computing [2] order force constants. Permutation basis: 336/336 Permutation basis: 14448/14448 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 1910 Number of blocks in projector: 1910 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: 458 Use standard eigh solver. --- Eigsh_solver_block: 2 / 6 --- Block_size: 330 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 330 Use standard eigh solver. --- Eigsh_solver_block: 4 / 6 --- Block_size: 264 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 264 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 264 Use standard eigh solver. Tree of FC basis block matrices: - (1910, 1872), data: False |-- (264, 258), data: True |-- (264, 258), data: True |-- (264, 258), data: True |-- (330, 326), data: True |-- (330, 326), data: True |-- (458, 446), data: True ----- Solver_atoms: 1 -- 112 / 112 Time (Solver_compr_matrix_reshape): 0.003 Solver_block: 100 / 480 - Time: 3.039 Solver_block: 200 / 480 - Time: 3.062 Solver_block: 300 / 480 - Time: 3.058 Solver_block: 400 / 480 - Time: 3.053 Solver_block: 480 / 480 - Time: 2.480 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 14.743 --------------------------------- Symfc end -------------------------------- Max drift of force constants: -0.00000000 (xx) -0.00000000 (xx) Permutation basis: 336/336 Permutation basis: 14448/14448 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 1910 Number of blocks in projector: 1910 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: 458 Use standard eigh solver. --- Eigsh_solver_block: 2 / 6 --- Block_size: 330 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 330 Use standard eigh solver. --- Eigsh_solver_block: 4 / 6 --- Block_size: 264 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 264 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 264 Use standard eigh solver. Tree of FC basis block matrices: - (1910, 1872), data: False |-- (264, 258), data: True |-- (264, 258), data: True |-- (264, 258), data: True |-- (330, 326), data: True |-- (330, 326), data: True |-- (458, 446), data: True Max drift after symmetrization by symfc projector: -0.00000000 (xx) -0.00000000 (xx) Force constants are written into "force_constants.hdf5". ---------------------------------------------------------------------------- One of the following run modes may be specified for phonon calculations. - Mesh sampling (MESH, --mesh) - Q-points (QPOINTS, --qpoints) - Band structure (BAND, --band) - Animation (ANIME, --anime) - Modulation (MODULATION, --modulation) - Characters of Irreps (IRREPS, --irreps) - Create displacements (CREATE_DISPLACEMENTS, -d) ---------------------------------------------------------------------------- Summary of calculation was written in "phonopy.yaml". -------------------------[time 2026-01-08 23:51:39]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 23:51:39]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: force constants HDF5 data compression filter: gzip Crystal structure was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". Supercell (dim): [1 2 2] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: Pnma (62) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 12.358942350000000 0.000000000000000 0.000000000000000 b 0.000000000000000 5.738499570000000 0.000000000000000 c 0.000000000000000 0.000000000000000 7.186928210000001 Atomic positions (fractional): 1 Ta 0.15483918997823 0.25000000000000 0.53228114830610 180.948 2 Ta 0.34516081002177 0.75000000000000 0.03228114830610 180.948 3 Ta 0.65483918997823 0.25000000000000 0.96771885169390 180.948 4 Ta 0.84516081002177 0.75000000000000 0.46771885169390 180.948 5 Nb 0.05589243910415 0.75000000000000 0.84906497507022 92.906 6 Nb 0.44410756089585 0.25000000000000 0.34906497507022 92.906 7 Nb 0.55589243910415 0.75000000000000 0.65093502492978 92.906 8 Nb 0.94410756089585 0.25000000000000 0.15093502492978 92.906 9 O 0.00000000000000 0.00000000000000 0.00000000000000 15.999 10 O 0.00000000000000 0.50000000000000 0.00000000000000 15.999 11 O 0.07591364532796 0.25000000000000 0.31247371443601 15.999 12 O 0.12052085036552 0.98944177478728 0.66786066563330 15.999 13 O 0.12052085036552 0.51055822521272 0.66786066563330 15.999 14 O 0.19741705940467 0.75000000000000 0.97960447438963 15.999 15 O 0.30258294059533 0.25000000000000 0.47960447438963 15.999 16 O 0.37947914963448 0.01055822521272 0.16786066563329 15.999 17 O 0.37947914963448 0.48944177478728 0.16786066563329 15.999 18 O 0.42408635467204 0.75000000000000 0.81247371443601 15.999 19 O 0.50000000000000 0.00000000000000 0.50000000000000 15.999 20 O 0.50000000000000 0.50000000000000 0.50000000000000 15.999 21 O 0.57591364532796 0.25000000000000 0.18752628556399 15.999 22 O 0.62052085036551 0.98944177478728 0.83213933436670 15.999 23 O 0.62052085036551 0.51055822521272 0.83213933436670 15.999 24 O 0.69741705940467 0.75000000000000 0.52039552561037 15.999 25 O 0.80258294059533 0.25000000000000 0.02039552561037 15.999 26 O 0.87947914963449 0.48944177478728 0.33213933436671 15.999 27 O 0.87947914963449 0.01055822521272 0.33213933436671 15.999 28 O 0.92408635467204 0.75000000000000 0.68752628556399 15.999 -------------------------------- supercell --------------------------------- Lattice vectors: a 12.358942350000000 0.000000000000000 0.000000000000000 b 0.000000000000000 11.476999140000000 0.000000000000000 c 0.000000000000000 0.000000000000000 14.373856420000003 Atomic positions (fractional): 1 Ta 0.15483918997823 0.12500000000000 0.26614057415305 180.948 > 1 2 Ta 0.15483918997823 0.62500000000000 0.26614057415305 180.948 > 1 3 Ta 0.15483918997823 0.12500000000000 0.76614057415305 180.948 > 1 4 Ta 0.15483918997823 0.62500000000000 0.76614057415305 180.948 > 1 5 Ta 0.34516081002177 0.37500000000000 0.01614057415305 180.948 > 5 6 Ta 0.34516081002177 0.87500000000000 0.01614057415305 180.948 > 5 7 Ta 0.34516081002177 0.37500000000000 0.51614057415305 180.948 > 5 8 Ta 0.34516081002177 0.87500000000000 0.51614057415305 180.948 > 5 9 Ta 0.65483918997823 0.12500000000000 0.48385942584695 180.948 > 9 10 Ta 0.65483918997823 0.62500000000000 0.48385942584695 180.948 > 9 11 Ta 0.65483918997823 0.12500000000000 0.98385942584695 180.948 > 9 12 Ta 0.65483918997823 0.62500000000000 0.98385942584695 180.948 > 9 13 Ta 0.84516081002177 0.37500000000000 0.23385942584695 180.948 > 13 14 Ta 0.84516081002177 0.87500000000000 0.23385942584695 180.948 > 13 15 Ta 0.84516081002177 0.37500000000000 0.73385942584695 180.948 > 13 16 Ta 0.84516081002177 0.87500000000000 0.73385942584695 180.948 > 13 17 Nb 0.05589243910415 0.37500000000000 0.42453248753511 92.906 > 17 18 Nb 0.05589243910415 0.87500000000000 0.42453248753511 92.906 > 17 19 Nb 0.05589243910415 0.37500000000000 0.92453248753511 92.906 > 17 20 Nb 0.05589243910415 0.87500000000000 0.92453248753511 92.906 > 17 21 Nb 0.44410756089585 0.12500000000000 0.17453248753511 92.906 > 21 22 Nb 0.44410756089585 0.62500000000000 0.17453248753511 92.906 > 21 23 Nb 0.44410756089585 0.12500000000000 0.67453248753511 92.906 > 21 24 Nb 0.44410756089585 0.62500000000000 0.67453248753511 92.906 > 21 25 Nb 0.55589243910415 0.37500000000000 0.32546751246489 92.906 > 25 26 Nb 0.55589243910415 0.87500000000000 0.32546751246489 92.906 > 25 27 Nb 0.55589243910415 0.37500000000000 0.82546751246489 92.906 > 25 28 Nb 0.55589243910415 0.87500000000000 0.82546751246489 92.906 > 25 29 Nb 0.94410756089585 0.12500000000000 0.07546751246489 92.906 > 29 30 Nb 0.94410756089585 0.62500000000000 0.07546751246489 92.906 > 29 31 Nb 0.94410756089585 0.12500000000000 0.57546751246489 92.906 > 29 32 Nb 0.94410756089585 0.62500000000000 0.57546751246489 92.906 > 29 33 O 0.00000000000000 0.00000000000000 0.00000000000000 15.999 > 33 34 O 0.00000000000000 0.50000000000000 0.00000000000000 15.999 > 33 35 O 0.00000000000000 0.00000000000000 0.50000000000000 15.999 > 33 36 O 0.00000000000000 0.50000000000000 0.50000000000000 15.999 > 33 37 O 0.00000000000000 0.25000000000000 0.00000000000000 15.999 > 37 38 O 0.00000000000000 0.75000000000000 0.00000000000000 15.999 > 37 39 O 0.00000000000000 0.25000000000000 0.50000000000000 15.999 > 37 40 O 0.00000000000000 0.75000000000000 0.50000000000000 15.999 > 37 41 O 0.07591364532796 0.12500000000000 0.15623685721801 15.999 > 41 42 O 0.07591364532796 0.62500000000000 0.15623685721801 15.999 > 41 43 O 0.07591364532796 0.12500000000000 0.65623685721801 15.999 > 41 44 O 0.07591364532796 0.62500000000000 0.65623685721801 15.999 > 41 45 O 0.12052085036552 0.49472088739364 0.33393033281665 15.999 > 45 46 O 0.12052085036552 0.99472088739364 0.33393033281665 15.999 > 45 47 O 0.12052085036552 0.49472088739364 0.83393033281665 15.999 > 45 48 O 0.12052085036552 0.99472088739364 0.83393033281665 15.999 > 45 49 O 0.12052085036552 0.25527911260636 0.33393033281665 15.999 > 49 50 O 0.12052085036552 0.75527911260636 0.33393033281665 15.999 > 49 51 O 0.12052085036552 0.25527911260636 0.83393033281665 15.999 > 49 52 O 0.12052085036552 0.75527911260636 0.83393033281665 15.999 > 49 53 O 0.19741705940467 0.37500000000000 0.48980223719481 15.999 > 53 54 O 0.19741705940467 0.87500000000000 0.48980223719481 15.999 > 53 55 O 0.19741705940467 0.37500000000000 0.98980223719481 15.999 > 53 56 O 0.19741705940467 0.87500000000000 0.98980223719481 15.999 > 53 57 O 0.30258294059533 0.12500000000000 0.23980223719481 15.999 > 57 58 O 0.30258294059533 0.62500000000000 0.23980223719481 15.999 > 57 59 O 0.30258294059533 0.12500000000000 0.73980223719481 15.999 > 57 60 O 0.30258294059533 0.62500000000000 0.73980223719481 15.999 > 57 61 O 0.37947914963448 0.00527911260636 0.08393033281665 15.999 > 61 62 O 0.37947914963448 0.50527911260636 0.08393033281665 15.999 > 61 63 O 0.37947914963448 0.00527911260636 0.58393033281665 15.999 > 61 64 O 0.37947914963448 0.50527911260636 0.58393033281665 15.999 > 61 65 O 0.37947914963448 0.24472088739364 0.08393033281665 15.999 > 65 66 O 0.37947914963448 0.74472088739364 0.08393033281665 15.999 > 65 67 O 0.37947914963448 0.24472088739364 0.58393033281665 15.999 > 65 68 O 0.37947914963448 0.74472088739364 0.58393033281665 15.999 > 65 69 O 0.42408635467204 0.37500000000000 0.40623685721801 15.999 > 69 70 O 0.42408635467204 0.87500000000000 0.40623685721801 15.999 > 69 71 O 0.42408635467204 0.37500000000000 0.90623685721801 15.999 > 69 72 O 0.42408635467204 0.87500000000000 0.90623685721801 15.999 > 69 73 O 0.50000000000000 0.00000000000000 0.25000000000000 15.999 > 73 74 O 0.50000000000000 0.50000000000000 0.25000000000000 15.999 > 73 75 O 0.50000000000000 0.00000000000000 0.75000000000000 15.999 > 73 76 O 0.50000000000000 0.50000000000000 0.75000000000000 15.999 > 73 77 O 0.50000000000000 0.25000000000000 0.25000000000000 15.999 > 77 78 O 0.50000000000000 0.75000000000000 0.25000000000000 15.999 > 77 79 O 0.50000000000000 0.25000000000000 0.75000000000000 15.999 > 77 80 O 0.50000000000000 0.75000000000000 0.75000000000000 15.999 > 77 81 O 0.57591364532796 0.12500000000000 0.09376314278199 15.999 > 81 82 O 0.57591364532796 0.62500000000000 0.09376314278199 15.999 > 81 83 O 0.57591364532796 0.12500000000000 0.59376314278199 15.999 > 81 84 O 0.57591364532796 0.62500000000000 0.59376314278199 15.999 > 81 85 O 0.62052085036551 0.49472088739364 0.41606966718335 15.999 > 85 86 O 0.62052085036551 0.99472088739364 0.41606966718335 15.999 > 85 87 O 0.62052085036551 0.49472088739364 0.91606966718335 15.999 > 85 88 O 0.62052085036551 0.99472088739364 0.91606966718335 15.999 > 85 89 O 0.62052085036551 0.25527911260636 0.41606966718335 15.999 > 89 90 O 0.62052085036551 0.75527911260636 0.41606966718335 15.999 > 89 91 O 0.62052085036551 0.25527911260636 0.91606966718335 15.999 > 89 92 O 0.62052085036551 0.75527911260636 0.91606966718335 15.999 > 89 93 O 0.69741705940467 0.37500000000000 0.26019776280519 15.999 > 93 94 O 0.69741705940467 0.87500000000000 0.26019776280519 15.999 > 93 95 O 0.69741705940467 0.37500000000000 0.76019776280519 15.999 > 93 96 O 0.69741705940467 0.87500000000000 0.76019776280519 15.999 > 93 97 O 0.80258294059533 0.12500000000000 0.01019776280519 15.999 > 97 98 O 0.80258294059533 0.62500000000000 0.01019776280519 15.999 > 97 99 O 0.80258294059533 0.12500000000000 0.51019776280519 15.999 > 97 100 O 0.80258294059533 0.62500000000000 0.51019776280519 15.999 > 97 101 O 0.87947914963449 0.24472088739364 0.16606966718335 15.999 > 101 102 O 0.87947914963449 0.74472088739364 0.16606966718335 15.999 > 101 103 O 0.87947914963449 0.24472088739364 0.66606966718335 15.999 > 101 104 O 0.87947914963449 0.74472088739364 0.66606966718335 15.999 > 101 105 O 0.87947914963449 0.00527911260636 0.16606966718335 15.999 > 105 106 O 0.87947914963449 0.50527911260636 0.16606966718335 15.999 > 105 107 O 0.87947914963449 0.00527911260636 0.66606966718335 15.999 > 105 108 O 0.87947914963449 0.50527911260636 0.66606966718335 15.999 > 105 109 O 0.92408635467204 0.37500000000000 0.34376314278199 15.999 > 109 110 O 0.92408635467204 0.87500000000000 0.34376314278199 15.999 > 109 111 O 0.92408635467204 0.37500000000000 0.84376314278199 15.999 > 109 112 O 0.92408635467204 0.87500000000000 0.84376314278199 15.999 > 109 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 4.5066053 0.0000000 0.0000000 0.0000000 4.7821309 0.0000000 0.0000000 0.0000000 4.5024300 -------------------------- Born effective charges -------------------------- 1 Ta 5.6360580 0.0000000 0.0923959 0.0000000 4.7336921 0.0000000 -0.4051039 0.0000000 5.1742363 2 Ta 5.6360580 0.0000000 -0.0923959 0.0000000 4.7336921 0.0000000 0.4051039 0.0000000 5.1742363 3 Ta 5.6360580 0.0000000 -0.0923959 0.0000000 4.7336921 0.0000000 0.4051039 0.0000000 5.1742363 4 Ta 5.6360580 0.0000000 0.0923959 0.0000000 4.7336921 0.0000000 -0.4051039 0.0000000 5.1742363 5 Nb 8.5027226 0.0000000 0.0419694 0.0000000 10.2363942 0.0000000 -0.0802772 0.0000000 8.9722999 6 Nb 8.5027226 0.0000000 -0.0419694 0.0000000 10.2363942 0.0000000 0.0802772 0.0000000 8.9722999 7 Nb 8.5027226 0.0000000 -0.0419694 0.0000000 10.2363942 0.0000000 0.0802772 0.0000000 8.9722999 8 Nb 8.5027226 0.0000000 0.0419694 0.0000000 10.2363942 0.0000000 -0.0802772 0.0000000 8.9722999 9 O -1.9500094 1.8673030 1.3558731 1.9673607 -5.6047846 -3.1166092 1.3581635 -2.9393275 -3.2698737 10 O -1.9500094 -1.8673030 1.3558731 -1.9673607 -5.6047846 3.1166092 1.3581635 2.9393275 -3.2698737 11 O -3.1826511 0.0000000 -2.5500388 0.0000000 -0.8483279 0.0000000 -2.7684420 0.0000000 -3.9366793 12 O -1.3296213 -1.0798566 0.8156601 -1.1921542 -3.8384616 2.3122521 0.9500520 2.3096971 -2.7047836 13 O -1.3296213 1.0798566 0.8156601 1.1921542 -3.8384616 -2.3122521 0.9500520 -2.3096971 -2.7047836 14 O -6.3468776 0.0000000 -1.8600263 0.0000000 -0.8400506 0.0000000 -1.9024179 0.0000000 -1.5304161 15 O -6.3468776 0.0000000 1.8600263 0.0000000 -0.8400506 0.0000000 1.9024179 0.0000000 -1.5304161 16 O -1.3296213 -1.0798566 -0.8156601 -1.1921542 -3.8384616 -2.3122521 -0.9500520 -2.3096971 -2.7047836 17 O -1.3296213 1.0798566 -0.8156601 1.1921542 -3.8384616 2.3122521 -0.9500520 2.3096971 -2.7047836 18 O -3.1826511 0.0000000 2.5500388 0.0000000 -0.8483279 0.0000000 2.7684420 0.0000000 -3.9366793 19 O -1.9500094 1.8673030 -1.3558731 1.9673607 -5.6047846 3.1166092 -1.3581635 2.9393275 -3.2698737 20 O -1.9500094 -1.8673030 -1.3558731 -1.9673607 -5.6047846 -3.1166092 -1.3581635 -2.9393275 -3.2698737 21 O -3.1826511 0.0000000 2.5500388 0.0000000 -0.8483279 0.0000000 2.7684420 0.0000000 -3.9366793 22 O -1.3296213 -1.0798566 -0.8156601 -1.1921542 -3.8384616 -2.3122521 -0.9500520 -2.3096971 -2.7047836 23 O -1.3296213 1.0798566 -0.8156601 1.1921542 -3.8384616 2.3122521 -0.9500520 2.3096971 -2.7047836 24 O -6.3468776 0.0000000 1.8600263 0.0000000 -0.8400506 0.0000000 1.9024179 0.0000000 -1.5304161 25 O -6.3468776 0.0000000 -1.8600263 0.0000000 -0.8400506 0.0000000 -1.9024179 0.0000000 -1.5304161 26 O -1.3296213 1.0798566 0.8156601 1.1921542 -3.8384616 -2.3122521 0.9500520 -2.3096971 -2.7047836 27 O -1.3296213 -1.0798566 0.8156601 -1.1921542 -3.8384616 2.3122521 0.9500520 2.3096971 -2.7047836 28 O -3.1826511 0.0000000 -2.5500388 0.0000000 -0.8483279 0.0000000 -2.7684420 0.0000000 -3.9366793 ---------------------------------------------------------------------------- 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[ 17, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 33, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 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[ 53, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 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: -0.00000014 (xxx) -0.00000014 (xxx) -0.00000014 (xxx) fc3 was written into "fc3.hdf5". Max drift of fc2: 0.00000005 (zx) 0.00000005 (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 23:52:03]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 23:52:04]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: conductivity-RTA HDF5 data compression filter: gzip Crystal structure was read from "phono3py.yaml". Supercell (dim): [1 2 2] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: Pnma (62) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 12.358942350000000 0.000000000000000 0.000000000000000 b 0.000000000000000 5.738499570000000 0.000000000000000 c 0.000000000000000 0.000000000000000 7.186928210000001 Atomic positions (fractional): 1 Ta 0.15483918997823 0.25000000000000 0.53228114830610 180.948 2 Ta 0.34516081002177 0.75000000000000 0.03228114830610 180.948 3 Ta 0.65483918997823 0.25000000000000 0.96771885169390 180.948 4 Ta 0.84516081002177 0.75000000000000 0.46771885169390 180.948 5 Nb 0.05589243910415 0.75000000000000 0.84906497507022 92.906 6 Nb 0.44410756089585 0.25000000000000 0.34906497507022 92.906 7 Nb 0.55589243910415 0.75000000000000 0.65093502492978 92.906 8 Nb 0.94410756089585 0.25000000000000 0.15093502492978 92.906 9 O 0.00000000000000 0.00000000000000 0.00000000000000 15.999 10 O 0.00000000000000 0.50000000000000 0.00000000000000 15.999 11 O 0.07591364532796 0.25000000000000 0.31247371443601 15.999 12 O 0.12052085036552 0.98944177478728 0.66786066563330 15.999 13 O 0.12052085036552 0.51055822521272 0.66786066563330 15.999 14 O 0.19741705940467 0.75000000000000 0.97960447438963 15.999 15 O 0.30258294059533 0.25000000000000 0.47960447438963 15.999 16 O 0.37947914963448 0.01055822521272 0.16786066563329 15.999 17 O 0.37947914963448 0.48944177478728 0.16786066563329 15.999 18 O 0.42408635467204 0.75000000000000 0.81247371443601 15.999 19 O 0.50000000000000 0.00000000000000 0.50000000000000 15.999 20 O 0.50000000000000 0.50000000000000 0.50000000000000 15.999 21 O 0.57591364532796 0.25000000000000 0.18752628556399 15.999 22 O 0.62052085036551 0.98944177478728 0.83213933436670 15.999 23 O 0.62052085036551 0.51055822521272 0.83213933436670 15.999 24 O 0.69741705940467 0.75000000000000 0.52039552561037 15.999 25 O 0.80258294059533 0.25000000000000 0.02039552561037 15.999 26 O 0.87947914963449 0.48944177478728 0.33213933436671 15.999 27 O 0.87947914963449 0.01055822521272 0.33213933436671 15.999 28 O 0.92408635467204 0.75000000000000 0.68752628556399 15.999 -------------------------------- supercell --------------------------------- Lattice vectors: a 12.358942350000000 0.000000000000000 0.000000000000000 b 0.000000000000000 11.476999140000000 0.000000000000000 c 0.000000000000000 0.000000000000000 14.373856420000003 Atomic positions (fractional): 1 Ta 0.15483918997823 0.12500000000000 0.26614057415305 180.948 > 1 2 Ta 0.15483918997823 0.62500000000000 0.26614057415305 180.948 > 1 3 Ta 0.15483918997823 0.12500000000000 0.76614057415305 180.948 > 1 4 Ta 0.15483918997823 0.62500000000000 0.76614057415305 180.948 > 1 5 Ta 0.34516081002177 0.37500000000000 0.01614057415305 180.948 > 5 6 Ta 0.34516081002177 0.87500000000000 0.01614057415305 180.948 > 5 7 Ta 0.34516081002177 0.37500000000000 0.51614057415305 180.948 > 5 8 Ta 0.34516081002177 0.87500000000000 0.51614057415305 180.948 > 5 9 Ta 0.65483918997823 0.12500000000000 0.48385942584695 180.948 > 9 10 Ta 0.65483918997823 0.62500000000000 0.48385942584695 180.948 > 9 11 Ta 0.65483918997823 0.12500000000000 0.98385942584695 180.948 > 9 12 Ta 0.65483918997823 0.62500000000000 0.98385942584695 180.948 > 9 13 Ta 0.84516081002177 0.37500000000000 0.23385942584695 180.948 > 13 14 Ta 0.84516081002177 0.87500000000000 0.23385942584695 180.948 > 13 15 Ta 0.84516081002177 0.37500000000000 0.73385942584695 180.948 > 13 16 Ta 0.84516081002177 0.87500000000000 0.73385942584695 180.948 > 13 17 Nb 0.05589243910415 0.37500000000000 0.42453248753511 92.906 > 17 18 Nb 0.05589243910415 0.87500000000000 0.42453248753511 92.906 > 17 19 Nb 0.05589243910415 0.37500000000000 0.92453248753511 92.906 > 17 20 Nb 0.05589243910415 0.87500000000000 0.92453248753511 92.906 > 17 21 Nb 0.44410756089585 0.12500000000000 0.17453248753511 92.906 > 21 22 Nb 0.44410756089585 0.62500000000000 0.17453248753511 92.906 > 21 23 Nb 0.44410756089585 0.12500000000000 0.67453248753511 92.906 > 21 24 Nb 0.44410756089585 0.62500000000000 0.67453248753511 92.906 > 21 25 Nb 0.55589243910415 0.37500000000000 0.32546751246489 92.906 > 25 26 Nb 0.55589243910415 0.87500000000000 0.32546751246489 92.906 > 25 27 Nb 0.55589243910415 0.37500000000000 0.82546751246489 92.906 > 25 28 Nb 0.55589243910415 0.87500000000000 0.82546751246489 92.906 > 25 29 Nb 0.94410756089585 0.12500000000000 0.07546751246489 92.906 > 29 30 Nb 0.94410756089585 0.62500000000000 0.07546751246489 92.906 > 29 31 Nb 0.94410756089585 0.12500000000000 0.57546751246489 92.906 > 29 32 Nb 0.94410756089585 0.62500000000000 0.57546751246489 92.906 > 29 33 O 0.00000000000000 0.00000000000000 0.00000000000000 15.999 > 33 34 O 0.00000000000000 0.50000000000000 0.00000000000000 15.999 > 33 35 O 0.00000000000000 0.00000000000000 0.50000000000000 15.999 > 33 36 O 0.00000000000000 0.50000000000000 0.50000000000000 15.999 > 33 37 O 0.00000000000000 0.25000000000000 0.00000000000000 15.999 > 37 38 O 0.00000000000000 0.75000000000000 0.00000000000000 15.999 > 37 39 O 0.00000000000000 0.25000000000000 0.50000000000000 15.999 > 37 40 O 0.00000000000000 0.75000000000000 0.50000000000000 15.999 > 37 41 O 0.07591364532796 0.12500000000000 0.15623685721801 15.999 > 41 42 O 0.07591364532796 0.62500000000000 0.15623685721801 15.999 > 41 43 O 0.07591364532796 0.12500000000000 0.65623685721801 15.999 > 41 44 O 0.07591364532796 0.62500000000000 0.65623685721801 15.999 > 41 45 O 0.12052085036552 0.49472088739364 0.33393033281665 15.999 > 45 46 O 0.12052085036552 0.99472088739364 0.33393033281665 15.999 > 45 47 O 0.12052085036552 0.49472088739364 0.83393033281665 15.999 > 45 48 O 0.12052085036552 0.99472088739364 0.83393033281665 15.999 > 45 49 O 0.12052085036552 0.25527911260636 0.33393033281665 15.999 > 49 50 O 0.12052085036552 0.75527911260636 0.33393033281665 15.999 > 49 51 O 0.12052085036552 0.25527911260636 0.83393033281665 15.999 > 49 52 O 0.12052085036552 0.75527911260636 0.83393033281665 15.999 > 49 53 O 0.19741705940467 0.37500000000000 0.48980223719481 15.999 > 53 54 O 0.19741705940467 0.87500000000000 0.48980223719481 15.999 > 53 55 O 0.19741705940467 0.37500000000000 0.98980223719481 15.999 > 53 56 O 0.19741705940467 0.87500000000000 0.98980223719481 15.999 > 53 57 O 0.30258294059533 0.12500000000000 0.23980223719481 15.999 > 57 58 O 0.30258294059533 0.62500000000000 0.23980223719481 15.999 > 57 59 O 0.30258294059533 0.12500000000000 0.73980223719481 15.999 > 57 60 O 0.30258294059533 0.62500000000000 0.73980223719481 15.999 > 57 61 O 0.37947914963448 0.00527911260636 0.08393033281665 15.999 > 61 62 O 0.37947914963448 0.50527911260636 0.08393033281665 15.999 > 61 63 O 0.37947914963448 0.00527911260636 0.58393033281665 15.999 > 61 64 O 0.37947914963448 0.50527911260636 0.58393033281665 15.999 > 61 65 O 0.37947914963448 0.24472088739364 0.08393033281665 15.999 > 65 66 O 0.37947914963448 0.74472088739364 0.08393033281665 15.999 > 65 67 O 0.37947914963448 0.24472088739364 0.58393033281665 15.999 > 65 68 O 0.37947914963448 0.74472088739364 0.58393033281665 15.999 > 65 69 O 0.42408635467204 0.37500000000000 0.40623685721801 15.999 > 69 70 O 0.42408635467204 0.87500000000000 0.40623685721801 15.999 > 69 71 O 0.42408635467204 0.37500000000000 0.90623685721801 15.999 > 69 72 O 0.42408635467204 0.87500000000000 0.90623685721801 15.999 > 69 73 O 0.50000000000000 0.00000000000000 0.25000000000000 15.999 > 73 74 O 0.50000000000000 0.50000000000000 0.25000000000000 15.999 > 73 75 O 0.50000000000000 0.00000000000000 0.75000000000000 15.999 > 73 76 O 0.50000000000000 0.50000000000000 0.75000000000000 15.999 > 73 77 O 0.50000000000000 0.25000000000000 0.25000000000000 15.999 > 77 78 O 0.50000000000000 0.75000000000000 0.25000000000000 15.999 > 77 79 O 0.50000000000000 0.25000000000000 0.75000000000000 15.999 > 77 80 O 0.50000000000000 0.75000000000000 0.75000000000000 15.999 > 77 81 O 0.57591364532796 0.12500000000000 0.09376314278199 15.999 > 81 82 O 0.57591364532796 0.62500000000000 0.09376314278199 15.999 > 81 83 O 0.57591364532796 0.12500000000000 0.59376314278199 15.999 > 81 84 O 0.57591364532796 0.62500000000000 0.59376314278199 15.999 > 81 85 O 0.62052085036551 0.49472088739364 0.41606966718335 15.999 > 85 86 O 0.62052085036551 0.99472088739364 0.41606966718335 15.999 > 85 87 O 0.62052085036551 0.49472088739364 0.91606966718335 15.999 > 85 88 O 0.62052085036551 0.99472088739364 0.91606966718335 15.999 > 85 89 O 0.62052085036551 0.25527911260636 0.41606966718335 15.999 > 89 90 O 0.62052085036551 0.75527911260636 0.41606966718335 15.999 > 89 91 O 0.62052085036551 0.25527911260636 0.91606966718335 15.999 > 89 92 O 0.62052085036551 0.75527911260636 0.91606966718335 15.999 > 89 93 O 0.69741705940467 0.37500000000000 0.26019776280519 15.999 > 93 94 O 0.69741705940467 0.87500000000000 0.26019776280519 15.999 > 93 95 O 0.69741705940467 0.37500000000000 0.76019776280519 15.999 > 93 96 O 0.69741705940467 0.87500000000000 0.76019776280519 15.999 > 93 97 O 0.80258294059533 0.12500000000000 0.01019776280519 15.999 > 97 98 O 0.80258294059533 0.62500000000000 0.01019776280519 15.999 > 97 99 O 0.80258294059533 0.12500000000000 0.51019776280519 15.999 > 97 100 O 0.80258294059533 0.62500000000000 0.51019776280519 15.999 > 97 101 O 0.87947914963449 0.24472088739364 0.16606966718335 15.999 > 101 102 O 0.87947914963449 0.74472088739364 0.16606966718335 15.999 > 101 103 O 0.87947914963449 0.24472088739364 0.66606966718335 15.999 > 101 104 O 0.87947914963449 0.74472088739364 0.66606966718335 15.999 > 101 105 O 0.87947914963449 0.00527911260636 0.16606966718335 15.999 > 105 106 O 0.87947914963449 0.50527911260636 0.16606966718335 15.999 > 105 107 O 0.87947914963449 0.00527911260636 0.66606966718335 15.999 > 105 108 O 0.87947914963449 0.50527911260636 0.66606966718335 15.999 > 105 109 O 0.92408635467204 0.37500000000000 0.34376314278199 15.999 > 109 110 O 0.92408635467204 0.87500000000000 0.34376314278199 15.999 > 109 111 O 0.92408635467204 0.37500000000000 0.84376314278199 15.999 > 109 112 O 0.92408635467204 0.87500000000000 0.84376314278199 15.999 > 109 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 4.5066053 0.0000000 0.0000000 0.0000000 4.7821309 0.0000000 0.0000000 0.0000000 4.5024300 -------------------------- Born effective charges -------------------------- 1 Ta 5.6360580 0.0000000 0.0923959 0.0000000 4.7336921 0.0000000 -0.4051039 0.0000000 5.1742363 2 Ta 5.6360580 0.0000000 -0.0923959 0.0000000 4.7336921 0.0000000 0.4051039 0.0000000 5.1742363 3 Ta 5.6360580 0.0000000 -0.0923959 0.0000000 4.7336921 0.0000000 0.4051039 0.0000000 5.1742363 4 Ta 5.6360580 0.0000000 0.0923959 0.0000000 4.7336921 0.0000000 -0.4051039 0.0000000 5.1742363 5 Nb 8.5027226 0.0000000 0.0419694 0.0000000 10.2363942 0.0000000 -0.0802772 0.0000000 8.9722999 6 Nb 8.5027226 0.0000000 -0.0419694 0.0000000 10.2363942 0.0000000 0.0802772 0.0000000 8.9722999 7 Nb 8.5027226 0.0000000 -0.0419694 0.0000000 10.2363942 0.0000000 0.0802772 0.0000000 8.9722999 8 Nb 8.5027226 0.0000000 0.0419694 0.0000000 10.2363942 0.0000000 -0.0802772 0.0000000 8.9722999 9 O -1.9500094 1.8673030 1.3558731 1.9673607 -5.6047846 -3.1166092 1.3581635 -2.9393275 -3.2698737 10 O -1.9500094 -1.8673030 1.3558731 -1.9673607 -5.6047846 3.1166092 1.3581635 2.9393275 -3.2698737 11 O -3.1826511 0.0000000 -2.5500388 0.0000000 -0.8483279 0.0000000 -2.7684420 0.0000000 -3.9366793 12 O -1.3296213 -1.0798566 0.8156601 -1.1921542 -3.8384616 2.3122521 0.9500520 2.3096971 -2.7047836 13 O -1.3296213 1.0798566 0.8156601 1.1921542 -3.8384616 -2.3122521 0.9500520 -2.3096971 -2.7047836 14 O -6.3468776 0.0000000 -1.8600263 0.0000000 -0.8400506 0.0000000 -1.9024179 0.0000000 -1.5304161 15 O -6.3468776 0.0000000 1.8600263 0.0000000 -0.8400506 0.0000000 1.9024179 0.0000000 -1.5304161 16 O -1.3296213 -1.0798566 -0.8156601 -1.1921542 -3.8384616 -2.3122521 -0.9500520 -2.3096971 -2.7047836 17 O -1.3296213 1.0798566 -0.8156601 1.1921542 -3.8384616 2.3122521 -0.9500520 2.3096971 -2.7047836 18 O -3.1826511 0.0000000 2.5500388 0.0000000 -0.8483279 0.0000000 2.7684420 0.0000000 -3.9366793 19 O -1.9500094 1.8673030 -1.3558731 1.9673607 -5.6047846 3.1166092 -1.3581635 2.9393275 -3.2698737 20 O -1.9500094 -1.8673030 -1.3558731 -1.9673607 -5.6047846 -3.1166092 -1.3581635 -2.9393275 -3.2698737 21 O -3.1826511 0.0000000 2.5500388 0.0000000 -0.8483279 0.0000000 2.7684420 0.0000000 -3.9366793 22 O -1.3296213 -1.0798566 -0.8156601 -1.1921542 -3.8384616 -2.3122521 -0.9500520 -2.3096971 -2.7047836 23 O -1.3296213 1.0798566 -0.8156601 1.1921542 -3.8384616 2.3122521 -0.9500520 2.3096971 -2.7047836 24 O -6.3468776 0.0000000 1.8600263 0.0000000 -0.8400506 0.0000000 1.9024179 0.0000000 -1.5304161 25 O -6.3468776 0.0000000 -1.8600263 0.0000000 -0.8400506 0.0000000 -1.9024179 0.0000000 -1.5304161 26 O -1.3296213 1.0798566 0.8156601 1.1921542 -3.8384616 -2.3122521 0.9500520 -2.3096971 -2.7047836 27 O -1.3296213 -1.0798566 0.8156601 -1.1921542 -3.8384616 2.3122521 0.9500520 2.3096971 -2.7047836 28 O -3.1826511 0.0000000 -2.5500388 0.0000000 -0.8483279 0.0000000 -2.7684420 0.0000000 -3.9366793 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: -0.00000014 (xxx) -0.00000014 (xxx) -0.00000014 (xxx) Max drift of fc2: -0.00000000 (xx) -0.00000000 (xx) --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperature: 0.0 10.0 20.0 30.0 40.0 ... 1000.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 Length for sampling mesh generation: 50.00 Generating grid system ... [ 4 9 7 ] fc3-r2q-transformation over three atoms: True --------------------------- Phonon calculations ---------------------------- Use NAC by Gonze et al. (no real space sum in current implementation) PRB 50, 13035(R) (1994), PRB 55, 10355 (1997) G-cutoff distance: 0.52, Number of G-points: 291, Lambda: 0.12 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/60) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.67e-09 3.67e-09 3.67e-09 3.67e-09 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| -0.000 ( 0.000 0.000 0.000) 0.000 0.000 ( 0.000 0.000 0.000) 0.000 0.000 ( 0.000 0.000 0.000) 0.000 0.640 ( 0.000 0.000 0.000) 0.000 1.027 ( 0.000 0.000 0.000) 0.000 1.686 ( 0.000 0.000 0.000) 0.000 1.742 ( 0.000 0.000 0.000) 0.000 1.770 ( 0.000 0.000 0.000) 0.000 2.128 ( 0.000 0.000 0.000) 0.000 2.171 ( 0.000 0.000 0.000) 0.000 2.342 ( 0.000 0.000 0.000) 0.000 2.586 ( 0.000 0.000 0.000) 0.000 3.145 ( 0.000 0.000 0.000) 0.000 3.308 ( 0.000 0.000 0.000) 0.000 3.333 ( 0.000 0.000 0.000) 0.000 3.465 ( 0.000 0.000 0.000) 0.000 3.781 ( 0.000 0.000 0.000) 0.000 3.867 ( 0.000 0.000 0.000) 0.000 3.933 ( 0.000 0.000 0.000) 0.000 4.481 ( 0.000 0.000 0.000) 0.000 4.774 ( 0.000 0.000 0.000) 0.000 4.897 ( 0.000 0.000 0.000) 0.000 4.914 ( 0.000 0.000 0.000) 0.000 4.970 ( 0.000 0.000 0.000) 0.000 5.325 ( 0.000 0.000 0.000) 0.000 5.371 ( 0.000 0.000 0.000) 0.000 5.681 ( 0.000 0.000 0.000) 0.000 5.796 ( 0.000 0.000 0.000) 0.000 5.819 ( 0.000 0.000 0.000) 0.000 5.898 ( 0.000 0.000 0.000) 0.000 6.698 ( 0.000 0.000 0.000) 0.000 6.975 ( 0.000 0.000 0.000) 0.000 7.183 ( 0.000 0.000 0.000) 0.000 7.248 ( 0.000 0.000 0.000) 0.000 7.456 ( 0.000 0.000 0.000) 0.000 7.469 ( 0.000 0.000 0.000) 0.000 7.588 ( 0.000 0.000 0.000) 0.000 7.643 ( 0.000 0.000 0.000) 0.000 7.704 ( 0.000 0.000 0.000) 0.000 7.894 ( 0.000 0.000 0.000) 0.000 8.507 ( 0.000 0.000 0.000) 0.000 8.524 ( 0.000 0.000 0.000) 0.000 8.633 ( 0.000 0.000 0.000) 0.000 8.633 ( 0.000 0.000 0.000) 0.000 8.648 ( 0.000 0.000 0.000) 0.000 8.662 ( 0.000 0.000 0.000) 0.000 8.948 ( 0.000 0.000 0.000) 0.000 9.117 ( 0.000 0.000 0.000) 0.000 9.150 ( 0.000 0.000 0.000) 0.000 9.357 ( 0.000 0.000 0.000) 0.000 9.451 ( 0.000 0.000 0.000) 0.000 9.578 ( 0.000 0.000 0.000) 0.000 9.747 ( 0.000 0.000 0.000) 0.000 9.814 ( 0.000 0.000 0.000) 0.000 9.940 ( 0.000 0.000 0.000) 0.000 9.967 ( 0.000 0.000 0.000) 0.000 10.377 ( 0.000 0.000 0.000) 0.000 10.477 ( 0.000 0.000 0.000) 0.000 10.610 ( 0.000 0.000 0.000) 0.000 10.728 ( 0.000 0.000 0.000) 0.000 10.805 ( 0.000 0.000 0.000) 0.000 11.058 ( 0.000 0.000 0.000) 0.000 11.347 ( 0.000 0.000 0.000) 0.000 11.984 ( 0.000 0.000 0.000) 0.000 15.740 ( 0.000 0.000 0.000) 0.000 15.782 ( 0.000 0.000 0.000) 0.000 18.476 ( 0.000 0.000 0.000) 0.000 18.799 ( 0.000 0.000 0.000) 0.000 20.124 ( 0.000 0.000 0.000) 0.000 20.139 ( 0.000 0.000 0.000) 0.000 20.785 ( 0.000 0.000 0.000) 0.000 21.303 ( 0.000 0.000 0.000) 0.000 21.432 ( 0.000 0.000 0.000) 0.000 21.488 ( 0.000 0.000 0.000) 0.000 21.723 ( 0.000 0.000 0.000) 0.000 21.744 ( 0.000 0.000 0.000) 0.000 21.822 ( 0.000 0.000 0.000) 0.000 28.127 ( 0.000 0.000 0.000) 0.000 28.805 ( 0.000 0.000 0.000) 0.000 28.887 ( 0.000 0.000 0.000) 0.000 29.819 ( 0.000 0.000 0.000) 0.000 29.853 ( 0.000 0.000 0.000) 0.000 30.173 ( 0.000 0.000 0.000) 0.000 30.253 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/60) ======================= q-point: ( 0.25 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.67e-09 3.67e-09 3.67e-09 3.67e-09 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 40 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.454 ( 15.542 0.000 0.000) 15.542 0.574 ( 27.766 0.000 0.000) 27.766 0.641 ( -0.104 0.000 0.000) 0.104 1.143 ( 12.349 0.000 0.000) 12.349 1.201 ( 52.534 0.000 0.000) 52.534 1.593 ( -17.269 0.000 0.000) 17.269 1.682 ( -6.359 0.000 0.000) 6.359 1.808 ( 11.088 0.000 0.000) 11.088 2.133 ( 0.472 0.000 0.000) 0.472 2.164 ( -0.669 0.000 0.000) 0.669 2.399 ( 6.035 0.000 0.000) 6.035 2.747 ( 12.790 0.000 0.000) 12.790 2.984 ( -18.320 0.000 0.000) 18.320 3.085 ( -15.441 0.000 0.000) 15.441 3.237 ( -26.999 0.000 0.000) 26.999 3.293 ( -3.126 0.000 0.000) 3.126 3.324 ( -0.879 0.000 0.000) 0.879 4.149 ( -42.736 0.000 0.000) 42.736 4.269 ( 21.578 0.000 0.000) 21.578 4.458 ( 30.440 0.000 0.000) 30.440 4.495 ( 1.430 0.000 0.000) 1.430 4.723 ( -3.369 0.000 0.000) 3.369 5.109 ( 8.828 0.000 0.000) 8.828 5.157 ( -14.475 0.000 0.000) 14.475 5.372 ( 13.401 0.000 0.000) 13.401 5.455 ( 7.438 0.000 0.000) 7.438 5.727 ( -4.672 0.000 0.000) 4.672 5.781 ( 5.517 0.000 0.000) 5.517 5.788 ( -4.490 0.000 0.000) 4.490 5.825 ( -9.256 0.000 0.000) 9.256 6.826 ( 14.903 0.000 0.000) 14.903 7.033 ( 5.937 0.000 0.000) 5.937 7.217 ( -1.817 0.000 0.000) 1.817 7.226 ( 2.550 0.000 0.000) 2.550 7.480 ( 2.306 0.000 0.000) 2.306 7.575 ( -0.487 0.000 0.000) 0.487 7.586 ( -4.058 0.000 0.000) 4.058 7.599 ( 0.071 0.000 0.000) 0.071 7.712 ( -1.087 0.000 0.000) 1.087 8.232 ( -27.522 0.000 0.000) 27.522 8.233 ( 6.947 0.000 0.000) 6.947 8.559 ( 2.892 0.000 0.000) 2.892 8.584 ( -5.099 0.000 0.000) 5.099 8.648 ( -1.202 0.000 0.000) 1.202 8.712 ( 7.277 0.000 0.000) 7.277 9.051 ( -2.224 0.000 0.000) 2.224 9.090 ( -1.934 0.000 0.000) 1.934 9.118 ( -2.663 0.000 0.000) 2.663 9.404 ( 4.742 0.000 0.000) 4.742 9.455 ( 0.434 0.000 0.000) 0.434 9.685 ( 9.548 0.000 0.000) 9.548 9.769 ( 1.721 0.000 0.000) 1.721 9.811 ( -0.313 0.000 0.000) 0.313 9.948 ( 0.627 0.000 0.000) 0.627 9.965 ( -0.567 0.000 0.000) 0.567 9.965 ( -0.561 0.000 0.000) 0.561 10.342 ( -1.543 0.000 0.000) 1.543 10.467 ( -2.576 0.000 0.000) 2.576 10.606 ( 1.765 0.000 0.000) 1.765 10.740 ( 0.056 0.000 0.000) 0.056 10.862 ( 1.638 0.000 0.000) 1.638 11.009 ( -4.413 0.000 0.000) 4.413 12.008 ( 2.177 0.000 0.000) 2.177 12.100 ( -1.428 0.000 0.000) 1.428 15.747 ( 0.580 0.000 0.000) 0.580 15.776 ( -0.575 0.000 0.000) 0.575 18.807 ( 0.852 0.000 0.000) 0.852 18.870 ( -1.640 0.000 0.000) 1.640 20.201 ( 7.266 0.000 0.000) 7.266 20.642 ( -11.425 0.000 0.000) 11.425 21.427 ( 9.640 0.000 0.000) 9.640 21.440 ( 0.745 0.000 0.000) 0.745 21.479 ( -0.789 0.000 0.000) 0.789 21.727 ( 0.313 0.000 0.000) 0.313 21.741 ( -0.248 0.000 0.000) 0.248 21.769 ( -5.127 0.000 0.000) 5.127 27.814 ( 3.633 0.000 0.000) 3.633 28.053 ( -6.243 0.000 0.000) 6.243 28.869 ( 5.075 0.000 0.000) 5.075 28.993 ( -0.430 0.000 0.000) 0.430 29.804 ( -3.356 0.000 0.000) 3.356 29.817 ( -3.363 0.000 0.000) 3.363 30.222 ( 3.499 0.000 0.000) 3.499 30.271 ( 1.145 0.000 0.000) 1.145 ======================= Grid point 2 (3/60) ======================= q-point: (-0.50 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.67e-09 3.67e-09 3.67e-09 3.67e-09 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 40 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.618 ( -2.943 0.000 0.000) 2.943 0.618 ( 2.943 0.000 0.000) 2.943 1.113 ( -25.220 0.000 0.000) 25.220 1.113 ( 25.220 0.000 0.000) 25.220 1.461 ( -15.417 0.000 0.000) 15.417 1.461 ( 15.417 0.000 0.000) 15.417 1.955 ( -8.505 0.000 0.000) 8.505 1.955 ( 8.505 0.000 0.000) 8.505 2.147 ( -0.876 0.000 0.000) 0.876 2.147 ( 0.876 0.000 0.000) 0.876 2.610 ( -15.234 0.000 0.000) 15.234 2.610 ( 15.234 0.000 0.000) 15.234 2.801 ( -8.995 0.000 0.000) 8.995 2.801 ( 8.995 0.000 0.000) 8.995 3.298 ( -1.486 0.000 0.000) 1.486 3.298 ( 1.486 0.000 0.000) 1.486 3.322 ( -34.072 0.000 0.000) 34.072 3.322 ( 34.072 0.000 0.000) 34.072 4.525 ( -0.431 0.000 0.000) 0.431 4.525 ( 0.431 0.000 0.000) 0.431 4.821 ( -16.142 0.000 0.000) 16.142 4.821 ( 16.142 0.000 0.000) 16.142 5.012 ( -20.688 0.000 0.000) 20.688 5.012 ( 20.688 0.000 0.000) 20.688 5.591 ( -9.705 0.000 0.000) 9.705 5.591 ( 9.705 0.000 0.000) 9.705 5.635 ( -9.460 0.000 0.000) 9.460 5.635 ( 9.460 0.000 0.000) 9.460 5.763 ( -5.443 0.000 0.000) 5.443 5.763 ( 5.443 0.000 0.000) 5.443 7.150 ( -9.571 0.000 0.000) 9.571 7.150 ( 9.571 0.000 0.000) 9.571 7.184 ( -7.010 0.000 0.000) 7.010 7.184 ( 7.010 0.000 0.000) 7.010 7.537 ( -2.613 0.000 0.000) 2.613 7.537 ( 2.613 0.000 0.000) 2.613 7.568 ( -2.287 0.000 0.000) 2.287 7.568 ( 2.287 0.000 0.000) 2.287 7.764 ( -12.706 0.000 0.000) 12.706 7.764 ( 12.706 0.000 0.000) 12.706 8.429 ( -10.010 0.000 0.000) 10.010 8.429 ( 10.010 0.000 0.000) 10.010 8.615 ( -2.230 0.000 0.000) 2.230 8.615 ( 2.230 0.000 0.000) 2.230 8.898 ( -10.107 0.000 0.000) 10.107 8.898 ( 10.107 0.000 0.000) 10.107 9.074 ( -0.910 0.000 0.000) 0.910 9.074 ( 0.910 0.000 0.000) 0.910 9.460 ( -0.560 0.000 0.000) 0.560 9.460 ( 0.560 0.000 0.000) 0.560 9.798 ( -1.018 0.000 0.000) 1.018 9.798 ( 1.018 0.000 0.000) 1.018 9.881 ( -7.703 0.000 0.000) 7.703 9.881 ( 7.703 0.000 0.000) 7.703 9.959 ( -0.388 0.000 0.000) 0.388 9.959 ( 0.388 0.000 0.000) 0.388 10.374 ( -4.587 0.000 0.000) 4.587 10.374 ( 4.587 0.000 0.000) 4.587 10.693 ( -4.719 0.000 0.000) 4.719 10.693 ( 4.719 0.000 0.000) 4.719 10.915 ( -3.883 0.000 0.000) 3.883 10.915 ( 3.883 0.000 0.000) 3.883 12.059 ( -2.516 0.000 0.000) 2.516 12.059 ( 2.516 0.000 0.000) 2.516 15.761 ( -0.817 0.000 0.000) 0.817 15.761 ( 0.817 0.000 0.000) 0.817 18.833 ( -1.700 0.000 0.000) 1.700 18.833 ( 1.700 0.000 0.000) 1.700 20.398 ( -11.662 0.000 0.000) 11.662 20.398 ( 11.662 0.000 0.000) 11.662 21.459 ( -1.082 0.000 0.000) 1.082 21.459 ( 1.082 0.000 0.000) 1.082 21.623 ( -8.954 0.000 0.000) 8.954 21.623 ( 8.954 0.000 0.000) 8.954 21.734 ( -0.399 0.000 0.000) 0.399 21.734 ( 0.399 0.000 0.000) 0.399 27.918 ( -6.375 0.000 0.000) 6.375 27.918 ( 6.375 0.000 0.000) 6.375 28.960 ( -3.192 0.000 0.000) 3.192 28.960 ( 3.192 0.000 0.000) 3.192 29.769 ( -0.531 0.000 0.000) 0.531 29.769 ( 0.531 0.000 0.000) 0.531 30.274 ( -1.232 0.000 0.000) 1.232 30.274 ( 1.232 0.000 0.000) 1.232 ======================= Grid point 5 (4/60) ======================= q-point: ( 0.00 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.67e-09 3.67e-09 3.67e-09 3.67e-09 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.508 ( 0.000 26.426 0.000) 26.426 0.681 ( 0.000 35.839 0.000) 35.839 1.160 ( 0.000 56.535 0.000) 56.535 1.278 ( 0.000 24.854 0.000) 24.854 1.543 ( 0.000 -14.474 0.000) 14.474 1.578 ( 0.000 22.797 0.000) 22.797 1.646 ( 0.000 43.917 0.000) 43.917 2.262 ( 0.000 31.712 0.000) 31.712 2.377 ( 0.000 22.245 0.000) 22.245 2.405 ( 0.000 17.033 0.000) 17.033 2.522 ( 0.000 -5.997 0.000) 5.997 2.659 ( 0.000 28.838 0.000) 28.838 3.309 ( 0.000 0.960 0.000) 0.960 3.367 ( 0.000 -8.905 0.000) 8.905 3.421 ( 0.000 -18.010 0.000) 18.010 3.852 ( 0.000 -2.167 0.000) 2.167 3.911 ( 0.000 60.537 0.000) 60.537 4.359 ( 0.000 26.871 0.000) 26.871 4.567 ( 0.000 8.247 0.000) 8.247 4.621 ( 0.000 -22.787 0.000) 22.787 4.634 ( 0.000 -6.884 0.000) 6.884 4.918 ( 0.000 0.043 0.000) 0.043 5.138 ( 0.000 19.439 0.000) 19.439 5.176 ( 0.000 19.547 0.000) 19.547 5.651 ( 0.000 -12.316 0.000) 12.316 5.693 ( 0.000 19.120 0.000) 19.120 5.707 ( 0.000 -9.424 0.000) 9.424 5.772 ( 0.000 10.359 0.000) 10.359 5.977 ( 0.000 3.572 0.000) 3.572 6.433 ( 0.000 -13.388 0.000) 13.388 7.026 ( 0.000 13.953 0.000) 13.953 7.166 ( 0.000 -1.810 0.000) 1.810 7.200 ( 0.000 -5.367 0.000) 5.367 7.201 ( 0.000 -14.730 0.000) 14.730 7.393 ( 0.000 -6.468 0.000) 6.468 7.579 ( 0.000 -5.602 0.000) 5.602 7.582 ( 0.000 -18.018 0.000) 18.018 7.626 ( 0.000 -6.977 0.000) 6.977 7.818 ( 0.000 5.197 0.000) 5.197 7.898 ( 0.000 5.557 0.000) 5.557 8.261 ( 0.000 -21.092 0.000) 21.092 8.394 ( 0.000 -9.835 0.000) 9.835 8.558 ( 0.000 -7.509 0.000) 7.509 8.577 ( 0.000 -5.178 0.000) 5.178 8.705 ( 0.000 1.343 0.000) 1.343 8.976 ( 0.000 2.193 0.000) 2.193 8.987 ( 0.000 -11.489 0.000) 11.489 8.990 ( 0.000 -10.895 0.000) 10.895 9.381 ( 0.000 1.091 0.000) 1.091 9.458 ( 0.000 6.553 0.000) 6.553 9.587 ( 0.000 0.891 0.000) 0.891 9.623 ( 0.000 8.828 0.000) 8.828 9.762 ( 0.000 1.291 0.000) 1.291 9.841 ( 0.000 2.692 0.000) 2.692 9.900 ( 0.000 -3.229 0.000) 3.229 10.082 ( 0.000 8.369 0.000) 8.369 10.450 ( 0.000 -2.386 0.000) 2.386 10.461 ( 0.000 7.500 0.000) 7.500 10.650 ( 0.000 4.486 0.000) 4.486 10.725 ( 0.000 -1.662 0.000) 1.662 10.755 ( 0.000 -3.575 0.000) 3.575 10.942 ( 0.000 -11.312 0.000) 11.312 11.333 ( 0.000 -1.397 0.000) 1.397 11.948 ( 0.000 -3.308 0.000) 3.308 15.965 ( 0.000 22.031 0.000) 22.031 18.508 ( 0.000 3.085 0.000) 3.085 18.797 ( 0.000 -0.527 0.000) 0.527 19.121 ( 0.000 -4.818 0.000) 4.818 20.125 ( 0.000 0.045 0.000) 0.045 20.137 ( 0.000 -0.185 0.000) 0.185 20.770 ( 0.000 -1.611 0.000) 1.611 21.292 ( 0.000 -1.201 0.000) 1.201 21.466 ( 0.000 -1.478 0.000) 1.478 21.713 ( 0.000 -0.948 0.000) 0.948 21.769 ( 0.000 2.319 0.000) 2.319 21.827 ( 0.000 0.456 0.000) 0.456 27.984 ( 0.000 4.354 0.000) 4.354 28.186 ( 0.000 6.274 0.000) 6.274 28.800 ( 0.000 -0.193 0.000) 0.193 28.910 ( 0.000 2.149 0.000) 2.149 29.772 ( 0.000 -4.474 0.000) 4.474 29.837 ( 0.000 -1.789 0.000) 1.789 30.141 ( 0.000 -3.373 0.000) 3.373 30.242 ( 0.000 -1.325 0.000) 1.325 ======================= Grid point 6 (5/60) ======================= q-point: ( 0.25 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.67e-09 3.67e-09 3.67e-09 3.67e-09 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.778 ( 22.604 10.672 0.000) 24.996 0.824 ( 12.042 24.392 0.000) 27.203 1.320 ( 1.844 37.120 0.000) 37.166 1.419 ( -9.216 -2.234 0.000) 9.483 1.441 ( 13.303 36.795 0.000) 39.126 1.654 ( 6.633 14.022 0.000) 15.512 1.867 ( 24.383 41.888 0.000) 48.468 2.219 ( -3.190 24.866 0.000) 25.070 2.387 ( -1.176 13.202 0.000) 13.254 2.395 ( 1.302 24.807 0.000) 24.841 2.619 ( -3.280 24.131 0.000) 24.353 2.706 ( 14.319 -2.883 0.000) 14.606 2.856 ( -24.486 -14.300 0.000) 28.356 3.078 ( -14.996 1.589 0.000) 15.080 3.311 ( -20.120 9.637 0.000) 22.309 3.937 ( -19.334 13.463 0.000) 23.560 4.068 ( 1.316 24.582 0.000) 24.617 4.265 ( 18.126 6.713 0.000) 19.329 4.558 ( 15.278 10.889 0.000) 18.762 4.581 ( 1.433 7.950 0.000) 8.078 4.842 ( -21.928 41.845 0.000) 47.242 4.888 ( 0.813 8.226 0.000) 8.266 5.140 ( 4.787 6.307 0.000) 7.917 5.142 ( 9.987 -2.367 0.000) 10.263 5.368 ( -37.243 13.616 0.000) 39.654 5.625 ( -12.378 -8.025 0.000) 14.752 5.770 ( 3.155 17.487 0.000) 17.769 5.856 ( 5.325 7.666 0.000) 9.335 5.904 ( -5.955 8.005 0.000) 9.977 5.920 ( -12.552 11.886 0.000) 17.287 6.757 ( -0.440 3.661 0.000) 3.687 7.106 ( -6.129 -9.443 0.000) 11.258 7.192 ( 7.290 9.344 0.000) 11.851 7.214 ( 2.838 -1.961 0.000) 3.450 7.324 ( 7.175 -12.684 0.000) 14.573 7.426 ( 3.376 -5.276 0.000) 6.264 7.593 ( 0.272 -0.009 0.000) 0.272 7.625 ( -1.336 -7.418 0.000) 7.538 7.769 ( -4.282 4.365 0.000) 6.115 8.095 ( -16.559 -15.282 0.000) 22.533 8.148 ( 6.408 -8.267 0.000) 10.460 8.458 ( -10.954 -6.141 0.000) 12.558 8.559 ( 4.211 -11.913 0.000) 12.635 8.580 ( -0.659 -2.953 0.000) 3.026 8.650 ( 7.360 -5.652 0.000) 9.279 8.983 ( -0.661 -8.080 0.000) 8.107 8.986 ( -0.341 -8.999 0.000) 9.005 9.058 ( -1.839 -1.995 0.000) 2.713 9.421 ( 2.351 -6.952 0.000) 7.339 9.443 ( 1.886 0.944 0.000) 2.109 9.566 ( -3.227 -2.358 0.000) 3.997 9.574 ( -1.694 -0.728 0.000) 1.844 9.832 ( 2.324 0.083 0.000) 2.326 9.877 ( 0.202 -0.810 0.000) 0.835 9.977 ( 9.818 4.913 0.000) 10.978 10.274 ( 2.716 5.663 0.000) 6.280 10.455 ( 0.094 9.357 0.000) 9.358 10.516 ( 3.598 6.154 0.000) 7.128 10.619 ( -0.374 2.180 0.000) 2.212 10.730 ( -0.191 -1.842 0.000) 1.852 10.771 ( 1.452 -6.865 0.000) 7.017 10.905 ( -3.419 -10.071 0.000) 10.636 11.615 ( 17.200 -21.596 0.000) 27.608 11.928 ( -2.129 -6.921 0.000) 7.240 16.029 ( 6.729 26.683 0.000) 27.518 17.045 ( -64.620 67.984 0.000) 93.795 18.804 ( 0.775 -0.596 0.000) 0.978 18.875 ( -2.982 0.065 0.000) 2.983 20.202 ( 7.505 0.176 0.000) 7.508 20.640 ( -10.756 -0.271 0.000) 10.760 21.059 ( 25.905 -25.419 0.000) 36.293 21.340 ( 1.874 -6.555 0.000) 6.817 21.515 ( 5.494 1.862 0.000) 5.801 21.717 ( 0.341 -0.914 0.000) 0.975 21.759 ( -0.926 1.662 0.000) 1.903 21.788 ( -4.013 0.907 0.000) 4.114 27.908 ( -1.165 7.459 0.000) 7.550 28.103 ( -6.823 5.336 0.000) 8.662 28.870 ( 5.447 0.546 0.000) 5.474 28.967 ( 2.074 -0.414 0.000) 2.115 29.765 ( -1.762 -4.752 0.000) 5.068 29.781 ( -3.888 -2.502 0.000) 4.623 30.193 ( 3.649 -3.003 0.000) 4.726 30.247 ( 0.652 -2.058 0.000) 2.159 ======================= Grid point 7 (6/60) ======================= q-point: (-0.50 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.67e-09 3.67e-09 3.67e-09 3.67e-09 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 56 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.042 ( -4.137 10.121 0.000) 10.934 1.042 ( 4.137 10.121 0.000) 10.934 1.305 ( -1.542 30.410 0.000) 30.449 1.305 ( 1.542 30.410 0.000) 30.449 1.656 ( -9.125 18.461 0.000) 20.593 1.656 ( 9.125 18.461 0.000) 20.593 2.234 ( -0.843 21.583 0.000) 21.600 2.234 ( 0.843 21.583 0.000) 21.600 2.391 ( -2.895 22.536 0.000) 22.721 2.391 ( 2.895 22.536 0.000) 22.721 2.550 ( -2.312 -3.758 0.000) 4.412 2.550 ( 2.312 -3.758 0.000) 4.412 2.900 ( -15.865 12.180 0.000) 20.002 2.900 ( 15.865 12.180 0.000) 20.002 3.287 ( -30.524 -0.600 0.000) 30.530 3.287 ( 30.524 -0.600 0.000) 30.530 4.289 ( -19.963 66.865 0.000) 69.781 4.289 ( 19.963 66.865 0.000) 69.781 4.633 ( -0.654 11.879 0.000) 11.897 4.633 ( 0.654 11.879 0.000) 11.897 4.803 ( -19.741 -0.237 0.000) 19.743 4.803 ( 19.741 -0.237 0.000) 19.743 5.060 ( -15.993 3.538 0.000) 16.379 5.060 ( 15.993 3.538 0.000) 16.379 5.407 ( -11.485 -10.246 0.000) 15.391 5.407 ( 11.485 -10.246 0.000) 15.391 5.822 ( -1.809 12.276 0.000) 12.409 5.822 ( 1.809 12.276 0.000) 12.409 5.851 ( -2.188 7.893 0.000) 8.191 5.851 ( 2.188 7.893 0.000) 8.191 6.953 ( -11.187 -9.629 0.000) 14.760 6.953 ( 11.187 -9.629 0.000) 14.760 7.255 ( -1.195 -2.593 0.000) 2.855 7.255 ( 1.195 -2.593 0.000) 2.855 7.479 ( -1.553 -3.164 0.000) 3.525 7.479 ( 1.553 -3.164 0.000) 3.525 7.618 ( -0.693 2.926 0.000) 3.007 7.618 ( 0.693 2.926 0.000) 3.007 7.730 ( -10.341 -3.338 0.000) 10.867 7.730 ( 10.341 -3.338 0.000) 10.867 8.292 ( -7.238 -13.292 0.000) 15.135 8.292 ( 7.238 -13.292 0.000) 15.135 8.576 ( -0.177 -5.244 0.000) 5.247 8.576 ( 0.177 -5.244 0.000) 5.247 8.875 ( -12.549 -3.408 0.000) 13.003 8.875 ( 12.549 -3.408 0.000) 13.003 8.979 ( -0.465 -7.631 0.000) 7.645 8.979 ( 0.465 -7.631 0.000) 7.645 9.483 ( -3.724 -8.676 0.000) 9.441 9.483 ( 3.724 -8.676 0.000) 9.441 9.523 ( -3.662 -0.587 0.000) 3.709 9.523 ( 3.662 -0.587 0.000) 3.709 9.866 ( -1.117 -0.852 0.000) 1.405 9.866 ( 1.117 -0.852 0.000) 1.405 10.192 ( -9.041 7.623 0.000) 11.826 10.192 ( 9.041 7.623 0.000) 11.826 10.484 ( -2.778 10.053 0.000) 10.429 10.484 ( 2.778 10.053 0.000) 10.429 10.693 ( -3.785 0.801 0.000) 3.869 10.693 ( 3.785 0.801 0.000) 3.869 10.823 ( -3.882 -8.994 0.000) 9.796 10.823 ( 3.882 -8.994 0.000) 9.796 11.847 ( -6.613 -16.141 0.000) 17.443 11.847 ( 6.613 -16.141 0.000) 17.443 16.278 ( -20.123 42.844 0.000) 47.334 16.278 ( 20.123 42.844 0.000) 47.334 18.830 ( -1.749 -0.640 0.000) 1.862 18.830 ( 1.749 -0.640 0.000) 1.862 20.403 ( -11.637 0.485 0.000) 11.647 20.403 ( 11.637 0.485 0.000) 11.647 21.314 ( -4.834 -11.846 0.000) 12.795 21.314 ( 4.834 -11.846 0.000) 12.795 21.660 ( -7.297 1.779 0.000) 7.510 21.660 ( 7.297 1.779 0.000) 7.510 21.738 ( -0.857 0.459 0.000) 0.972 21.738 ( 0.857 0.459 0.000) 0.972 27.965 ( -5.798 5.042 0.000) 7.684 27.965 ( 5.798 5.042 0.000) 7.684 28.962 ( -2.694 0.703 0.000) 2.784 28.962 ( 2.694 0.703 0.000) 2.784 29.735 ( -0.043 -3.506 0.000) 3.506 29.735 ( 0.043 -3.506 0.000) 3.506 30.246 ( -1.242 -2.733 0.000) 3.002 30.246 ( 1.242 -2.733 0.000) 3.002 ======================= Grid point 10 (7/60) ======================= q-point: ( 0.00 0.22 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.67e-09 3.67e-09 3.67e-09 3.67e-09 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.963 ( 0.000 16.586 0.000) 16.586 1.389 ( 0.000 36.908 0.000) 36.908 1.390 ( 0.000 4.596 0.000) 4.596 1.436 ( 0.000 9.671 0.000) 9.671 2.098 ( 0.000 32.692 0.000) 32.692 2.302 ( 0.000 4.891 0.000) 4.891 2.423 ( 0.000 34.826 0.000) 34.826 2.585 ( 0.000 32.470 0.000) 32.470 2.638 ( 0.000 7.882 0.000) 7.882 2.696 ( 0.000 11.945 0.000) 11.945 2.743 ( 0.000 7.338 0.000) 7.338 3.183 ( 0.000 -10.105 0.000) 10.105 3.327 ( 0.000 36.978 0.000) 36.978 3.370 ( 0.000 19.381 0.000) 19.381 3.412 ( 0.000 12.435 0.000) 12.435 3.798 ( 0.000 1.164 0.000) 1.164 4.292 ( 0.000 -8.806 0.000) 8.806 4.358 ( 0.000 -10.940 0.000) 10.940 4.743 ( 0.000 7.318 0.000) 7.318 4.829 ( 0.000 31.151 0.000) 31.151 4.883 ( 0.000 -5.106 0.000) 5.106 5.138 ( 0.000 35.213 0.000) 35.213 5.397 ( 0.000 -16.093 0.000) 16.093 5.421 ( 0.000 -9.078 0.000) 9.078 5.625 ( 0.000 29.604 0.000) 29.604 5.728 ( 0.000 31.170 0.000) 31.170 5.939 ( 0.000 11.183 0.000) 11.183 6.010 ( 0.000 -0.403 0.000) 0.403 6.057 ( 0.000 10.003 0.000) 10.003 6.255 ( 0.000 -4.125 0.000) 4.125 6.982 ( 0.000 -7.358 0.000) 7.358 6.996 ( 0.000 -15.828 0.000) 15.828 7.126 ( 0.000 -27.361 0.000) 27.361 7.157 ( 0.000 3.300 0.000) 3.300 7.250 ( 0.000 -5.848 0.000) 5.848 7.271 ( 0.000 11.317 0.000) 11.317 7.436 ( 0.000 -12.111 0.000) 12.111 7.488 ( 0.000 -1.285 0.000) 1.285 7.779 ( 0.000 -3.910 0.000) 3.910 7.829 ( 0.000 -20.710 0.000) 20.710 8.030 ( 0.000 -1.100 0.000) 1.100 8.249 ( 0.000 0.027 0.000) 0.027 8.356 ( 0.000 -12.914 0.000) 12.914 8.442 ( 0.000 -8.910 0.000) 8.910 8.700 ( 0.000 -1.062 0.000) 1.062 8.716 ( 0.000 -16.220 0.000) 16.220 8.813 ( 0.000 -5.565 0.000) 5.565 8.997 ( 0.000 -0.820 0.000) 0.820 9.403 ( 0.000 -0.863 0.000) 0.863 9.542 ( 0.000 0.825 0.000) 0.825 9.597 ( 0.000 -1.325 0.000) 1.325 9.738 ( 0.000 2.526 0.000) 2.526 9.777 ( 0.000 -0.728 0.000) 0.728 9.849 ( 0.000 -1.197 0.000) 1.197 9.900 ( 0.000 2.591 0.000) 2.591 10.096 ( 0.000 -9.194 0.000) 9.194 10.457 ( 0.000 5.186 0.000) 5.186 10.600 ( 0.000 0.736 0.000) 0.736 10.633 ( 0.000 -7.059 0.000) 7.059 10.701 ( 0.000 -5.719 0.000) 5.719 10.770 ( 0.000 7.284 0.000) 7.284 10.783 ( 0.000 7.754 0.000) 7.754 11.294 ( 0.000 -2.603 0.000) 2.603 11.862 ( 0.000 -5.874 0.000) 5.874 16.520 ( 0.000 33.088 0.000) 33.088 18.583 ( 0.000 4.279 0.000) 4.279 18.752 ( 0.000 -4.932 0.000) 4.932 19.004 ( 0.000 -6.770 0.000) 6.770 20.126 ( 0.000 0.051 0.000) 0.051 20.133 ( 0.000 -0.242 0.000) 0.242 20.729 ( 0.000 -1.994 0.000) 1.994 21.251 ( 0.000 -3.252 0.000) 3.252 21.466 ( 0.000 2.063 0.000) 2.063 21.694 ( 0.000 -0.833 0.000) 0.833 21.815 ( 0.000 1.812 0.000) 1.812 21.833 ( 0.000 -0.110 0.000) 0.110 28.111 ( 0.000 8.637 0.000) 8.637 28.376 ( 0.000 13.325 0.000) 13.325 28.817 ( 0.000 2.459 0.000) 2.459 28.954 ( 0.000 1.711 0.000) 1.711 29.671 ( 0.000 -5.005 0.000) 5.005 29.774 ( 0.000 -5.018 0.000) 5.018 30.039 ( 0.000 -7.256 0.000) 7.256 30.192 ( 0.000 -4.157 0.000) 4.157 ======================= Grid point 11 (8/60) ======================= q-point: ( 0.25 0.22 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.67e-09 3.67e-09 3.67e-09 3.67e-09 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.006 ( 10.436 13.833 0.000) 17.328 1.378 ( 3.116 26.416 0.000) 26.599 1.379 ( -1.113 6.127 0.000) 6.227 1.581 ( 8.627 12.776 0.000) 15.416 2.276 ( -13.487 -3.569 0.000) 13.951 2.321 ( 11.243 38.961 0.000) 40.551 2.420 ( 7.200 4.720 0.000) 8.609 2.510 ( -4.513 37.279 0.000) 37.551 2.609 ( -11.540 -1.300 0.000) 11.613 2.633 ( -5.747 12.810 0.000) 14.040 2.727 ( 14.221 11.765 0.000) 18.457 3.069 ( 0.173 25.130 0.000) 25.130 3.133 ( -14.475 25.119 0.000) 28.992 3.349 ( -0.612 31.124 0.000) 31.130 3.480 ( -9.117 7.083 0.000) 11.545 3.761 ( -11.339 -0.904 0.000) 11.375 4.259 ( 19.553 2.337 0.000) 19.692 4.485 ( 6.503 -7.902 0.000) 10.234 4.719 ( -1.212 2.596 0.000) 2.865 4.989 ( 3.847 -9.804 0.000) 10.532 4.997 ( 8.636 15.187 0.000) 17.471 5.159 ( 3.957 31.379 0.000) 31.627 5.243 ( -3.208 0.797 0.000) 3.306 5.498 ( -15.563 2.778 0.000) 15.809 5.507 ( -6.172 28.306 0.000) 28.971 5.725 ( -0.168 19.272 0.000) 19.272 5.893 ( -4.891 -5.551 0.000) 7.398 6.037 ( -0.184 9.470 0.000) 9.472 6.071 ( 4.672 13.936 0.000) 14.699 6.109 ( -6.268 11.485 0.000) 13.084 6.899 ( -9.117 -1.282 0.000) 9.206 6.931 ( -3.354 -7.948 0.000) 8.627 7.062 ( 3.325 -10.460 0.000) 10.975 7.144 ( -1.785 -6.906 0.000) 7.133 7.316 ( 6.951 -1.015 0.000) 7.025 7.387 ( 3.536 0.427 0.000) 3.561 7.446 ( 6.228 -2.668 0.000) 6.775 7.580 ( 2.819 -1.619 0.000) 3.251 7.698 ( -6.822 -20.561 0.000) 21.663 7.775 ( 0.135 -2.698 0.000) 2.701 7.957 ( -5.498 -9.457 0.000) 10.939 8.312 ( 5.636 -9.021 0.000) 10.637 8.328 ( -8.007 -9.212 0.000) 12.206 8.501 ( -10.836 -2.968 0.000) 11.235 8.526 ( 7.597 -7.191 0.000) 10.461 8.797 ( 4.974 -11.124 0.000) 12.185 8.833 ( 1.652 -4.989 0.000) 5.255 8.989 ( -5.062 -5.544 0.000) 7.507 9.369 ( -2.351 -1.318 0.000) 2.695 9.428 ( -6.260 -2.132 0.000) 6.613 9.598 ( -1.272 1.450 0.000) 1.929 9.616 ( -4.185 1.159 0.000) 4.343 9.820 ( 0.966 -1.526 0.000) 1.806 9.832 ( -0.286 -2.634 0.000) 2.649 10.052 ( 10.566 1.446 0.000) 10.665 10.214 ( 5.136 -9.251 0.000) 10.581 10.527 ( 5.392 -2.692 0.000) 6.027 10.640 ( 2.437 6.504 0.000) 6.946 10.643 ( 0.676 -6.299 0.000) 6.335 10.688 ( 0.067 -7.411 0.000) 7.411 10.722 ( -3.568 7.961 0.000) 8.724 10.822 ( 0.923 10.317 0.000) 10.358 11.364 ( 7.854 -7.748 0.000) 11.033 11.787 ( -7.258 -7.373 0.000) 10.346 16.653 ( 13.432 34.837 0.000) 37.337 17.910 ( -48.774 27.730 0.000) 56.106 18.761 ( 0.896 -4.637 0.000) 4.723 18.852 ( -4.204 -2.734 0.000) 5.014 20.209 ( 8.270 0.652 0.000) 8.296 20.634 ( -8.642 0.004 0.000) 8.642 20.675 ( 29.370 -14.324 0.000) 32.677 21.208 ( -3.674 -6.657 0.000) 7.604 21.549 ( 6.501 1.940 0.000) 6.785 21.697 ( 0.391 -0.912 0.000) 0.992 21.791 ( -2.129 1.173 0.000) 2.431 21.799 ( -3.185 0.161 0.000) 3.189 28.078 ( -1.227 10.286 0.000) 10.359 28.266 ( -8.336 11.357 0.000) 14.088 28.910 ( 6.523 4.003 0.000) 7.653 28.989 ( 2.325 1.649 0.000) 2.850 29.658 ( -1.379 -5.418 0.000) 5.590 29.700 ( -4.954 -5.951 0.000) 7.743 30.104 ( 4.365 -6.287 0.000) 7.654 30.187 ( -0.320 -4.410 0.000) 4.422 ======================= Grid point 12 (9/60) ======================= q-point: (-0.50 0.22 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.67e-09 3.67e-09 3.67e-09 3.67e-09 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 56 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.341 ( -12.666 16.050 0.000) 20.446 1.341 ( 12.666 16.050 0.000) 20.446 1.479 ( -12.279 5.645 0.000) 13.514 1.479 ( 12.279 5.645 0.000) 13.514 2.314 ( -15.593 -0.644 0.000) 15.606 2.314 ( 15.593 -0.644 0.000) 15.606 2.448 ( -0.183 31.639 0.000) 31.639 2.448 ( 0.183 31.639 0.000) 31.639 2.470 ( -1.454 9.049 0.000) 9.165 2.470 ( 1.454 9.049 0.000) 9.165 3.065 ( -5.534 16.927 0.000) 17.809 3.065 ( 5.534 16.927 0.000) 17.809 3.132 ( -17.879 18.991 0.000) 26.083 3.132 ( 17.879 18.991 0.000) 26.083 3.463 ( -13.244 24.813 0.000) 28.126 3.463 ( 13.244 24.813 0.000) 28.126 4.636 ( -8.305 -10.268 0.000) 13.206 4.636 ( 8.305 -10.268 0.000) 13.206 4.810 ( -23.399 1.947 0.000) 23.480 4.810 ( 23.399 1.947 0.000) 23.480 5.091 ( -7.838 3.970 0.000) 8.786 5.091 ( 7.838 3.970 0.000) 8.786 5.353 ( -7.869 25.052 0.000) 26.259 5.353 ( 7.869 25.052 0.000) 26.259 5.420 ( -2.512 16.645 0.000) 16.833 5.420 ( 2.512 16.645 0.000) 16.833 5.988 ( -4.191 5.500 0.000) 6.915 5.988 ( 4.191 5.500 0.000) 6.915 6.101 ( -0.933 18.073 0.000) 18.097 6.101 ( 0.933 18.073 0.000) 18.097 6.892 ( -3.572 2.141 0.000) 4.165 6.892 ( 3.572 2.141 0.000) 4.165 7.107 ( -1.336 -10.777 0.000) 10.859 7.107 ( 1.336 -10.777 0.000) 10.859 7.349 ( -0.846 -11.132 0.000) 11.164 7.349 ( 0.846 -11.132 0.000) 11.164 7.624 ( -2.090 -6.993 0.000) 7.298 7.624 ( 2.090 -6.993 0.000) 7.298 7.693 ( -2.716 3.706 0.000) 4.594 7.693 ( 2.716 3.706 0.000) 4.594 8.023 ( -13.978 -8.974 0.000) 16.610 8.023 ( 13.978 -8.974 0.000) 16.610 8.401 ( -3.192 -11.577 0.000) 12.009 8.401 ( 3.192 -11.577 0.000) 12.009 8.764 ( -13.904 -6.351 0.000) 15.286 8.764 ( 13.904 -6.351 0.000) 15.286 8.856 ( -0.998 -5.670 0.000) 5.757 8.856 ( 0.998 -5.670 0.000) 5.757 9.353 ( -1.190 -4.529 0.000) 4.682 9.353 ( 1.190 -4.529 0.000) 4.682 9.581 ( -0.044 1.511 0.000) 1.511 9.581 ( 0.044 1.511 0.000) 1.511 9.830 ( -0.165 -2.756 0.000) 2.761 9.830 ( 0.165 -2.756 0.000) 2.761 10.222 ( -4.600 -3.506 0.000) 5.783 10.222 ( 4.600 -3.506 0.000) 5.783 10.615 ( -3.016 -8.186 0.000) 8.724 10.615 ( 3.016 -8.186 0.000) 8.724 10.661 ( -1.596 6.165 0.000) 6.368 10.661 ( 1.596 6.165 0.000) 6.368 10.769 ( -5.218 6.326 0.000) 8.200 10.769 ( 5.218 6.326 0.000) 8.200 11.585 ( -11.939 -10.062 0.000) 15.614 11.585 ( 11.939 -10.062 0.000) 15.614 17.089 ( -30.605 37.315 0.000) 48.261 17.089 ( 30.605 37.315 0.000) 48.261 18.791 ( -2.169 -3.801 0.000) 4.377 18.791 ( 2.169 -3.801 0.000) 4.377 20.420 ( -11.520 1.403 0.000) 11.605 20.420 ( 11.520 1.403 0.000) 11.605 21.074 ( -11.238 -11.887 0.000) 16.359 21.074 ( 11.238 -11.887 0.000) 16.359 21.676 ( -4.770 0.205 0.000) 4.775 21.676 ( 4.770 0.205 0.000) 4.775 21.749 ( -0.837 0.443 0.000) 0.947 21.749 ( 0.837 0.443 0.000) 0.947 28.117 ( -5.224 10.520 0.000) 11.745 28.117 ( 5.224 10.520 0.000) 11.745 29.003 ( -1.786 3.408 0.000) 3.848 29.003 ( 1.786 3.408 0.000) 3.848 29.639 ( -0.548 -6.044 0.000) 6.069 29.639 ( 0.548 -6.044 0.000) 6.069 30.170 ( -1.873 -5.311 0.000) 5.632 30.170 ( 1.873 -5.311 0.000) 5.632 ======================= Grid point 15 (10/60) ======================= q-point: ( 0.00 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.67e-09 3.67e-09 3.67e-09 3.67e-09 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.184 ( 0.000 11.619 0.000) 11.619 1.555 ( 0.000 12.418 0.000) 12.418 1.917 ( 0.000 33.635 0.000) 33.635 2.046 ( 0.000 -13.192 0.000) 13.192 2.053 ( 0.000 27.148 0.000) 27.148 2.301 ( 0.000 -14.796 0.000) 14.796 2.642 ( 0.000 11.580 0.000) 11.580 2.677 ( 0.000 -6.774 0.000) 6.774 2.839 ( 0.000 -21.611 0.000) 21.611 2.859 ( 0.000 5.441 0.000) 5.441 3.207 ( 0.000 26.275 0.000) 26.275 3.310 ( 0.000 33.581 0.000) 33.581 3.826 ( 0.000 25.722 0.000) 25.722 3.859 ( 0.000 23.883 0.000) 23.883 3.996 ( 0.000 30.314 0.000) 30.314 4.040 ( 0.000 17.579 0.000) 17.579 4.127 ( 0.000 -10.323 0.000) 10.323 4.255 ( 0.000 3.121 0.000) 3.121 4.666 ( 0.000 -16.315 0.000) 16.315 4.700 ( 0.000 -12.522 0.000) 12.522 5.186 ( 0.000 -1.217 0.000) 1.217 5.347 ( 0.000 0.072 0.000) 0.072 5.384 ( 0.000 5.231 0.000) 5.231 5.417 ( 0.000 17.327 0.000) 17.327 5.932 ( 0.000 -22.886 0.000) 22.886 5.951 ( 0.000 -5.554 0.000) 5.554 6.139 ( 0.000 8.359 0.000) 8.359 6.200 ( 0.000 28.867 0.000) 28.867 6.242 ( 0.000 9.493 0.000) 9.493 6.384 ( 0.000 12.140 0.000) 12.140 6.648 ( 0.000 -6.205 0.000) 6.205 6.768 ( 0.000 -5.432 0.000) 5.432 6.921 ( 0.000 0.399 0.000) 0.399 7.178 ( 0.000 -13.521 0.000) 13.521 7.195 ( 0.000 -2.889 0.000) 2.889 7.229 ( 0.000 4.698 0.000) 4.698 7.463 ( 0.000 8.396 0.000) 8.396 7.499 ( 0.000 -13.485 0.000) 13.485 7.725 ( 0.000 -0.657 0.000) 0.657 7.732 ( 0.000 26.740 0.000) 26.740 7.898 ( 0.000 -8.019 0.000) 8.019 8.074 ( 0.000 -15.711 0.000) 15.711 8.239 ( 0.000 -11.011 0.000) 11.011 8.340 ( 0.000 4.490 0.000) 4.490 8.390 ( 0.000 -16.877 0.000) 16.877 8.685 ( 0.000 -0.584 0.000) 0.584 8.776 ( 0.000 1.708 0.000) 1.708 8.938 ( 0.000 -4.734 0.000) 4.734 9.313 ( 0.000 -7.512 0.000) 7.512 9.427 ( 0.000 -13.911 0.000) 13.911 9.454 ( 0.000 -13.684 0.000) 13.684 9.618 ( 0.000 -18.209 0.000) 18.209 9.768 ( 0.000 1.922 0.000) 1.922 9.873 ( 0.000 2.738 0.000) 2.738 9.910 ( 0.000 -4.509 0.000) 4.509 9.923 ( 0.000 0.139 0.000) 0.139 10.477 ( 0.000 -2.669 0.000) 2.669 10.526 ( 0.000 -2.584 0.000) 2.584 10.646 ( 0.000 12.613 0.000) 12.613 10.833 ( 0.000 10.479 0.000) 10.479 10.914 ( 0.000 7.236 0.000) 7.236 10.953 ( 0.000 7.028 0.000) 7.028 11.233 ( 0.000 -3.687 0.000) 3.687 11.698 ( 0.000 -11.551 0.000) 11.551 17.171 ( 0.000 32.850 0.000) 32.850 18.578 ( 0.000 -13.383 0.000) 13.383 18.660 ( 0.000 3.544 0.000) 3.544 18.878 ( 0.000 -5.836 0.000) 5.836 20.126 ( 0.000 0.021 0.000) 0.021 20.129 ( 0.000 -0.164 0.000) 0.164 20.729 ( 0.000 2.752 0.000) 2.752 21.158 ( 0.000 -6.388 0.000) 6.388 21.546 ( 0.000 5.718 0.000) 5.718 21.691 ( 0.000 0.711 0.000) 0.711 21.817 ( 0.000 -1.533 0.000) 1.533 21.823 ( 0.000 -1.134 0.000) 1.134 28.312 ( 0.000 11.839 0.000) 11.839 28.688 ( 0.000 18.009 0.000) 18.009 28.905 ( 0.000 6.461 0.000) 6.461 28.938 ( 0.000 -4.275 0.000) 4.275 29.625 ( 0.000 1.310 0.000) 1.310 29.643 ( 0.000 -8.204 0.000) 8.204 29.857 ( 0.000 -11.517 0.000) 11.517 30.076 ( 0.000 -7.718 0.000) 7.718 ======================= Grid point 16 (11/60) ======================= q-point: ( 0.25 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.67e-09 3.67e-09 3.67e-09 3.67e-09 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.292 ( 8.603 15.360 0.000) 17.605 1.613 ( 1.382 6.243 0.000) 6.394 1.637 ( -7.752 16.584 0.000) 18.306 1.996 ( -14.086 -8.957 0.000) 16.693 2.162 ( 6.382 31.079 0.000) 31.727 2.348 ( 15.832 -3.482 0.000) 16.210 2.475 ( -14.872 -8.641 0.000) 17.200 2.633 ( -14.392 -1.773 0.000) 14.501 2.833 ( 4.833 9.588 0.000) 10.737 3.032 ( 7.497 -19.161 0.000) 20.576 3.195 ( -0.673 28.840 0.000) 28.847 3.298 ( -1.437 33.284 0.000) 33.315 3.704 ( -4.421 27.362 0.000) 27.717 3.756 ( -7.086 16.711 0.000) 18.151 3.966 ( -1.722 27.920 0.000) 27.973 4.041 ( -1.177 19.386 0.000) 19.422 4.143 ( 3.459 -9.837 0.000) 10.428 4.460 ( 16.904 4.521 0.000) 17.498 4.540 ( -10.983 -18.365 0.000) 21.399 4.736 ( 3.195 -12.626 0.000) 13.024 5.277 ( -7.850 0.816 0.000) 7.892 5.326 ( 11.412 5.928 0.000) 12.860 5.457 ( 6.308 14.253 0.000) 15.587 5.607 ( 1.223 8.771 0.000) 8.856 5.743 ( 3.042 -4.107 0.000) 5.111 5.981 ( -9.237 19.465 0.000) 21.545 6.085 ( -13.514 10.756 0.000) 17.272 6.116 ( 10.529 -6.023 0.000) 12.130 6.362 ( 8.038 16.078 0.000) 17.975 6.490 ( 3.341 20.479 0.000) 20.750 6.647 ( 4.479 -14.567 0.000) 15.240 6.762 ( 0.414 -4.952 0.000) 4.969 6.932 ( -0.544 -2.778 0.000) 2.831 6.960 ( -8.249 -8.931 0.000) 12.158 7.150 ( -3.660 -13.978 0.000) 14.449 7.316 ( -14.452 -15.347 0.000) 21.080 7.479 ( 10.087 8.521 0.000) 13.204 7.594 ( 10.517 7.225 0.000) 12.760 7.733 ( 0.714 19.387 0.000) 19.401 7.752 ( 2.121 1.508 0.000) 2.602 7.832 ( -3.548 -3.129 0.000) 4.731 8.088 ( -0.591 -14.240 0.000) 14.253 8.172 ( -2.960 -7.363 0.000) 7.935 8.377 ( 7.862 -8.692 0.000) 11.720 8.506 ( -16.073 3.011 0.000) 16.352 8.598 ( 11.817 -8.120 0.000) 14.338 8.801 ( 2.588 1.281 0.000) 2.888 8.852 ( -8.581 -8.221 0.000) 11.883 9.258 ( -4.981 -9.405 0.000) 10.643 9.278 ( -9.367 -14.719 0.000) 17.447 9.488 ( 0.193 -13.798 0.000) 13.800 9.520 ( -4.603 -13.356 0.000) 14.127 9.810 ( 1.725 1.490 0.000) 2.280 9.842 ( -1.177 3.764 0.000) 3.944 10.013 ( 6.905 -7.615 0.000) 10.279 10.024 ( 6.332 -3.218 0.000) 7.103 10.521 ( 2.803 -0.871 0.000) 2.935 10.617 ( 9.018 -0.324 0.000) 9.024 10.621 ( -1.727 10.769 0.000) 10.906 10.828 ( -0.241 10.005 0.000) 10.008 10.873 ( -3.474 7.493 0.000) 8.260 10.990 ( -0.819 5.279 0.000) 5.343 11.246 ( 4.262 -5.212 0.000) 6.733 11.621 ( -7.353 -10.591 0.000) 12.894 17.305 ( 13.131 31.519 0.000) 34.145 18.292 ( -30.388 14.089 0.000) 33.495 18.601 ( 2.280 -12.141 0.000) 12.353 18.772 ( -5.544 -5.236 0.000) 7.626 20.231 ( 9.926 1.636 0.000) 10.060 20.469 ( 23.440 -7.802 0.000) 24.705 20.662 ( -6.745 3.450 0.000) 7.576 21.081 ( -7.026 -6.859 0.000) 9.819 21.599 ( 4.304 3.338 0.000) 5.447 21.690 ( 0.063 0.398 0.000) 0.403 21.790 ( -2.489 -1.133 0.000) 2.735 21.792 ( -2.656 -1.131 0.000) 2.886 28.306 ( 0.291 13.024 0.000) 13.027 28.529 ( -10.150 15.241 0.000) 18.311 28.978 ( 3.552 -4.076 0.000) 5.406 29.022 ( 5.741 6.560 0.000) 8.717 29.562 ( -4.255 -7.313 0.000) 8.460 29.604 ( -2.254 1.077 0.000) 2.498 29.946 ( 5.709 -10.024 0.000) 11.536 30.069 ( -0.795 -7.848 0.000) 7.888 ======================= Grid point 17 (12/60) ======================= q-point: (-0.50 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.67e-09 3.67e-09 3.67e-09 3.67e-09 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 56 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.421 ( -10.222 2.614 0.000) 10.551 1.421 ( 10.222 2.614 0.000) 10.551 1.871 ( -21.871 21.766 0.000) 30.856 1.871 ( 21.871 21.766 0.000) 30.856 2.175 ( -19.435 -9.029 0.000) 21.430 2.175 ( 19.435 -9.029 0.000) 21.430 2.511 ( -8.333 9.729 0.000) 12.810 2.511 ( 8.333 9.729 0.000) 12.810 2.957 ( -11.078 -10.498 0.000) 15.262 2.957 ( 11.078 -10.498 0.000) 15.262 3.244 ( -3.887 33.161 0.000) 33.388 3.244 ( 3.887 33.161 0.000) 33.388 3.694 ( -0.479 21.729 0.000) 21.734 3.694 ( 0.479 21.729 0.000) 21.734 3.981 ( -3.307 23.252 0.000) 23.486 3.981 ( 3.307 23.252 0.000) 23.486 4.292 ( -11.336 -18.211 0.000) 21.451 4.292 ( 11.336 -18.211 0.000) 21.451 4.749 ( -5.849 -9.772 0.000) 11.389 4.749 ( 5.849 -9.772 0.000) 11.389 5.277 ( -11.212 13.181 0.000) 17.304 5.277 ( 11.212 13.181 0.000) 17.304 5.558 ( -2.473 6.403 0.000) 6.864 5.558 ( 2.473 6.403 0.000) 6.864 5.838 ( -1.351 22.263 0.000) 22.304 5.838 ( 1.351 22.263 0.000) 22.304 6.104 ( -11.776 4.705 0.000) 12.681 6.104 ( 11.776 4.705 0.000) 12.681 6.488 ( -3.396 14.333 0.000) 14.730 6.488 ( 3.396 14.333 0.000) 14.730 6.789 ( -3.307 -10.829 0.000) 11.323 6.789 ( 3.307 -10.829 0.000) 11.323 6.898 ( -0.873 -8.836 0.000) 8.879 6.898 ( 0.873 -8.836 0.000) 8.879 7.077 ( -2.420 -15.107 0.000) 15.300 7.077 ( 2.420 -15.107 0.000) 15.300 7.625 ( -5.129 7.876 0.000) 9.399 7.625 ( 5.129 7.876 0.000) 9.399 7.771 ( -1.533 6.261 0.000) 6.446 7.771 ( 1.533 6.261 0.000) 6.446 7.977 ( -12.216 -1.209 0.000) 12.276 7.977 ( 12.216 -1.209 0.000) 12.276 8.202 ( -8.415 -5.456 0.000) 10.029 8.202 ( 8.415 -5.456 0.000) 10.029 8.612 ( -13.676 -9.497 0.000) 16.650 8.612 ( 13.676 -9.497 0.000) 16.650 8.791 ( -5.750 -0.905 0.000) 5.821 8.791 ( 5.750 -0.905 0.000) 5.821 9.172 ( -0.995 -14.866 0.000) 14.899 9.172 ( 0.995 -14.866 0.000) 14.899 9.481 ( -0.062 -13.219 0.000) 13.219 9.481 ( 0.062 -13.219 0.000) 13.219 9.829 ( -0.429 3.517 0.000) 3.543 9.829 ( 0.429 3.517 0.000) 3.543 10.095 ( -0.283 -7.315 0.000) 7.320 10.095 ( 0.283 -7.315 0.000) 7.320 10.580 ( -2.647 5.508 0.000) 6.111 10.580 ( 2.647 5.508 0.000) 6.111 10.797 ( -4.980 6.514 0.000) 8.199 10.797 ( 4.980 6.514 0.000) 8.199 10.870 ( -7.120 4.158 0.000) 8.246 10.870 ( 7.120 4.158 0.000) 8.246 11.426 ( -10.943 -7.840 0.000) 13.462 11.426 ( 10.943 -7.840 0.000) 13.462 17.698 ( -25.504 26.248 0.000) 36.598 17.698 ( 25.504 26.248 0.000) 36.598 18.670 ( -4.412 -8.896 0.000) 9.929 18.670 ( 4.412 -8.896 0.000) 9.929 20.466 ( -11.879 3.593 0.000) 12.410 20.466 ( 11.879 3.593 0.000) 12.410 20.869 ( -14.787 -9.393 0.000) 17.518 20.869 ( 14.787 -9.393 0.000) 17.518 21.680 ( -2.491 0.447 0.000) 2.531 21.680 ( 2.491 0.447 0.000) 2.531 21.749 ( -0.248 -0.545 0.000) 0.599 21.749 ( 0.248 -0.545 0.000) 0.599 28.361 ( -5.689 14.310 0.000) 15.400 28.361 ( 5.689 14.310 0.000) 15.400 29.051 ( -2.462 -0.653 0.000) 2.547 29.051 ( 2.462 -0.653 0.000) 2.547 29.546 ( -2.398 -1.374 0.000) 2.764 29.546 ( 2.398 -1.374 0.000) 2.764 30.035 ( -2.868 -8.646 0.000) 9.109 30.035 ( 2.868 -8.646 0.000) 9.109 ======================= Grid point 20 (13/60) ======================= q-point: ( 0.00 0.44 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.67e-09 3.67e-09 3.67e-09 3.67e-09 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.457 ( 0.000 15.763 0.000) 15.763 1.764 ( 0.000 -15.516 0.000) 15.516 1.858 ( 0.000 18.627 0.000) 18.627 2.119 ( 0.000 -2.348 0.000) 2.348 2.185 ( 0.000 -6.880 0.000) 6.880 2.284 ( 0.000 -24.441 0.000) 24.441 2.557 ( 0.000 25.500 0.000) 25.500 2.739 ( 0.000 0.193 0.000) 0.193 2.984 ( 0.000 12.890 0.000) 12.890 3.030 ( 0.000 28.294 0.000) 28.294 3.386 ( 0.000 -14.025 0.000) 14.025 3.512 ( 0.000 -15.908 0.000) 15.908 4.121 ( 0.000 14.519 0.000) 14.519 4.158 ( 0.000 10.551 0.000) 10.551 4.262 ( 0.000 3.490 0.000) 3.490 4.264 ( 0.000 12.161 0.000) 12.161 4.337 ( 0.000 2.367 0.000) 2.367 4.382 ( 0.000 -3.179 0.000) 3.179 4.499 ( 0.000 3.188 0.000) 3.188 4.522 ( 0.000 5.104 0.000) 5.104 5.220 ( 0.000 -4.080 0.000) 4.080 5.224 ( 0.000 4.050 0.000) 4.050 5.330 ( 0.000 -4.063 0.000) 4.063 5.424 ( 0.000 -23.361 0.000) 23.361 5.867 ( 0.000 0.836 0.000) 0.836 5.900 ( 0.000 21.691 0.000) 21.691 6.066 ( 0.000 -18.477 0.000) 18.477 6.187 ( 0.000 -6.024 0.000) 6.024 6.474 ( 0.000 15.182 0.000) 15.182 6.631 ( 0.000 11.964 0.000) 11.964 6.704 ( 0.000 -1.185 0.000) 1.185 6.790 ( 0.000 -15.769 0.000) 15.769 7.062 ( 0.000 16.928 0.000) 16.928 7.103 ( 0.000 5.832 0.000) 5.832 7.149 ( 0.000 1.419 0.000) 1.419 7.262 ( 0.000 -7.721 0.000) 7.721 7.455 ( 0.000 13.267 0.000) 13.267 7.581 ( 0.000 4.166 0.000) 4.166 7.696 ( 0.000 -6.260 0.000) 6.260 7.755 ( 0.000 -16.436 0.000) 16.436 7.844 ( 0.000 6.408 0.000) 6.408 8.056 ( 0.000 -12.661 0.000) 12.661 8.155 ( 0.000 1.909 0.000) 1.909 8.303 ( 0.000 28.123 0.000) 28.123 8.326 ( 0.000 -7.518 0.000) 7.518 8.652 ( 0.000 -5.038 0.000) 5.038 8.851 ( 0.000 -2.644 0.000) 2.644 8.863 ( 0.000 4.683 0.000) 4.683 9.065 ( 0.000 -16.556 0.000) 16.556 9.152 ( 0.000 -14.787 0.000) 14.787 9.186 ( 0.000 -3.624 0.000) 3.624 9.261 ( 0.000 -13.154 0.000) 13.154 9.816 ( 0.000 2.670 0.000) 2.670 9.862 ( 0.000 -2.001 0.000) 2.001 9.915 ( 0.000 1.293 0.000) 1.293 9.925 ( 0.000 0.050 0.000) 0.050 10.496 ( 0.000 2.182 0.000) 2.182 10.515 ( 0.000 0.104 0.000) 0.104 10.880 ( 0.000 10.178 0.000) 10.178 11.004 ( 0.000 -2.089 0.000) 2.089 11.044 ( 0.000 6.165 0.000) 6.165 11.085 ( 0.000 15.821 0.000) 15.821 11.151 ( 0.000 -4.854 0.000) 4.854 11.416 ( 0.000 -16.980 0.000) 16.980 17.761 ( 0.000 27.724 0.000) 27.724 18.238 ( 0.000 -21.386 0.000) 21.386 18.721 ( 0.000 2.913 0.000) 2.913 18.784 ( 0.000 -3.909 0.000) 3.909 20.126 ( 0.000 0.006 0.000) 0.006 20.127 ( 0.000 -0.055 0.000) 0.055 20.837 ( 0.000 7.912 0.000) 7.912 21.007 ( 0.000 -8.882 0.000) 8.882 21.666 ( 0.000 6.193 0.000) 6.193 21.722 ( 0.000 2.424 0.000) 2.424 21.770 ( 0.000 -4.245 0.000) 4.245 21.775 ( 0.000 -2.699 0.000) 2.699 28.555 ( 0.000 12.786 0.000) 12.786 28.787 ( 0.000 -10.613 0.000) 10.613 29.011 ( 0.000 12.312 0.000) 12.312 29.044 ( 0.000 6.378 0.000) 6.378 29.500 ( 0.000 -3.799 0.000) 3.799 29.610 ( 0.000 -12.677 0.000) 12.677 29.723 ( 0.000 8.043 0.000) 8.043 29.903 ( 0.000 -9.730 0.000) 9.730 ======================= Grid point 21 (14/60) ======================= q-point: ( 0.25 0.44 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.67e-09 3.67e-09 3.67e-09 3.67e-09 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.584 ( 8.005 14.150 0.000) 16.258 1.698 ( -12.458 4.483 0.000) 13.240 1.787 ( -1.026 -4.093 0.000) 4.220 1.834 ( -7.884 -8.003 0.000) 11.234 2.366 ( 9.482 5.332 0.000) 10.878 2.400 ( -1.037 8.634 0.000) 8.696 2.553 ( -14.921 -6.039 0.000) 16.097 2.609 ( 15.054 -15.204 0.000) 21.395 2.899 ( -9.294 30.103 0.000) 31.505 3.085 ( 2.349 18.906 0.000) 19.052 3.436 ( -5.165 -19.470 0.000) 20.143 3.454 ( 3.025 -9.251 0.000) 9.733 4.024 ( -7.519 10.321 0.000) 12.770 4.046 ( -6.566 16.332 0.000) 17.603 4.162 ( -1.562 6.229 0.000) 6.421 4.234 ( -10.081 -7.136 0.000) 12.351 4.316 ( 0.182 7.314 0.000) 7.316 4.412 ( -4.672 12.230 0.000) 13.092 4.448 ( 6.212 -6.530 0.000) 9.013 4.560 ( 0.221 -4.259 0.000) 4.265 5.279 ( 8.842 8.530 0.000) 12.286 5.446 ( 16.709 7.078 0.000) 18.146 5.574 ( 9.351 -14.643 0.000) 17.374 5.613 ( 15.023 -9.177 0.000) 17.604 5.829 ( 3.598 14.031 0.000) 14.485 5.995 ( 8.903 9.627 0.000) 13.113 6.160 ( 6.651 -17.937 0.000) 19.130 6.176 ( -0.752 -1.854 0.000) 2.001 6.366 ( -7.704 13.555 0.000) 15.592 6.697 ( 2.873 11.170 0.000) 11.533 6.699 ( -7.382 -16.233 0.000) 17.833 6.742 ( 3.971 2.262 0.000) 4.570 6.864 ( -17.412 1.206 0.000) 17.454 6.971 ( -5.439 11.649 0.000) 12.857 7.059 ( -17.394 -12.039 0.000) 21.154 7.086 ( -4.591 2.310 0.000) 5.140 7.615 ( 9.141 8.009 0.000) 12.154 7.679 ( 6.388 4.476 0.000) 7.800 7.791 ( 4.968 -4.369 0.000) 6.616 7.814 ( 2.912 -12.598 0.000) 12.930 7.874 ( 7.011 10.417 0.000) 12.557 8.064 ( 2.570 -5.458 0.000) 6.032 8.225 ( 6.954 0.419 0.000) 6.966 8.236 ( -5.921 27.527 0.000) 28.156 8.438 ( 9.735 -11.789 0.000) 15.289 8.605 ( -10.950 6.428 0.000) 12.697 8.662 ( -10.954 -11.644 0.000) 15.987 8.844 ( -2.242 -8.783 0.000) 9.065 8.949 ( -8.214 -4.150 0.000) 9.203 9.108 ( -6.720 -3.128 0.000) 7.413 9.159 ( 0.012 -16.695 0.000) 16.695 9.208 ( -3.517 -13.389 0.000) 13.843 9.864 ( 3.412 3.316 0.000) 4.758 9.918 ( 0.382 3.296 0.000) 3.318 9.925 ( 4.639 -3.119 0.000) 5.590 9.969 ( 2.711 -2.384 0.000) 3.610 10.573 ( 6.858 3.846 0.000) 7.862 10.618 ( 9.357 -0.662 0.000) 9.381 10.853 ( -2.963 11.261 0.000) 11.645 10.996 ( -3.774 -0.211 0.000) 3.780 11.019 ( -1.755 3.323 0.000) 3.758 11.063 ( -2.100 14.589 0.000) 14.739 11.139 ( 1.799 -6.181 0.000) 6.438 11.366 ( -4.756 -15.402 0.000) 16.120 17.858 ( 9.415 25.541 0.000) 27.222 18.293 ( 5.368 -19.400 0.000) 20.128 18.508 ( -18.086 8.894 0.000) 20.155 18.656 ( -9.903 -6.728 0.000) 11.972 20.275 ( 13.045 3.040 0.000) 13.394 20.351 ( 17.669 -4.822 0.000) 18.315 20.772 ( -6.738 7.542 0.000) 10.113 20.932 ( -7.469 -8.398 0.000) 11.239 21.674 ( 0.879 4.166 0.000) 4.258 21.714 ( -0.681 1.938 0.000) 2.054 21.749 ( -1.671 -3.242 0.000) 3.648 21.756 ( -1.614 -2.189 0.000) 2.720 28.570 ( 1.931 13.847 0.000) 13.981 28.821 ( 3.367 -11.399 0.000) 11.886 28.828 ( -10.280 14.842 0.000) 18.054 29.055 ( -4.879 -6.253 0.000) 7.931 29.521 ( 4.621 5.861 0.000) 7.464 29.705 ( -2.034 8.460 0.000) 8.701 29.724 ( 7.143 -12.375 0.000) 14.288 29.892 ( -1.268 -10.007 0.000) 10.087 ======================= Grid point 22 (15/60) ======================= q-point: (-0.50 0.44 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.67e-09 3.67e-09 3.67e-09 3.67e-09 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 56 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.555 ( -1.546 11.384 0.000) 11.489 1.555 ( 1.546 11.384 0.000) 11.489 1.829 ( -1.607 -15.281 0.000) 15.366 1.829 ( 1.607 -15.281 0.000) 15.366 2.349 ( -4.669 17.256 0.000) 17.876 2.349 ( 4.669 17.256 0.000) 17.876 2.645 ( -12.012 -11.318 0.000) 16.504 2.645 ( 12.012 -11.318 0.000) 16.504 2.945 ( -12.666 23.230 0.000) 26.458 2.945 ( 12.666 23.230 0.000) 26.458 3.437 ( -4.323 -18.773 0.000) 19.264 3.437 ( 4.323 -18.773 0.000) 19.264 3.952 ( -1.083 13.526 0.000) 13.570 3.952 ( 1.083 13.526 0.000) 13.570 4.135 ( -0.310 -1.258 0.000) 1.295 4.135 ( 0.310 -1.258 0.000) 1.295 4.338 ( -2.385 11.998 0.000) 12.233 4.338 ( 2.385 11.998 0.000) 12.233 4.534 ( -2.640 -9.400 0.000) 9.764 4.534 ( 2.640 -9.400 0.000) 9.764 5.531 ( -12.584 11.977 0.000) 17.373 5.531 ( 12.584 11.977 0.000) 17.373 5.672 ( -1.895 1.002 0.000) 2.144 5.672 ( 1.895 1.002 0.000) 2.144 6.081 ( -4.240 3.373 0.000) 5.418 6.081 ( 4.240 3.373 0.000) 5.418 6.255 ( -6.672 1.242 0.000) 6.787 6.255 ( 6.672 1.242 0.000) 6.787 6.369 ( -19.662 1.607 0.000) 19.728 6.369 ( 19.662 1.607 0.000) 19.728 6.687 ( -11.268 -16.546 0.000) 20.018 6.687 ( 11.268 -16.546 0.000) 20.018 6.856 ( -5.060 6.553 0.000) 8.279 6.856 ( 5.060 6.553 0.000) 8.279 6.930 ( -9.734 0.199 0.000) 9.736 6.930 ( 9.734 0.199 0.000) 9.736 7.732 ( -1.763 3.623 0.000) 4.030 7.732 ( 1.763 3.623 0.000) 4.030 7.830 ( -0.814 -6.707 0.000) 6.756 7.830 ( 0.814 -6.707 0.000) 6.756 8.087 ( -8.924 19.548 0.000) 21.489 8.087 ( 8.924 19.548 0.000) 21.489 8.257 ( -16.985 6.441 0.000) 18.166 8.257 ( 16.985 6.441 0.000) 18.166 8.433 ( -12.622 -6.281 0.000) 14.099 8.433 ( 12.622 -6.281 0.000) 14.099 8.669 ( -12.146 -18.549 0.000) 22.172 8.669 ( 12.146 -18.549 0.000) 22.172 8.964 ( -6.450 2.044 0.000) 6.766 8.964 ( 6.450 2.044 0.000) 6.766 9.162 ( -0.856 -15.915 0.000) 15.938 9.162 ( 0.856 -15.915 0.000) 15.938 9.913 ( -1.173 4.315 0.000) 4.471 9.913 ( 1.173 4.315 0.000) 4.471 9.991 ( -1.122 -4.031 0.000) 4.184 9.991 ( 1.122 -4.031 0.000) 4.184 10.736 ( -8.110 7.923 0.000) 11.338 10.736 ( 8.110 7.923 0.000) 11.338 10.836 ( -10.768 -2.215 0.000) 10.993 10.836 ( 10.768 -2.215 0.000) 10.993 11.015 ( -1.893 10.913 0.000) 11.076 11.015 ( 1.893 10.913 0.000) 11.076 11.243 ( -6.659 -11.282 0.000) 13.101 11.243 ( 6.659 -11.282 0.000) 13.101 18.131 ( -17.110 19.001 0.000) 25.569 18.131 ( 17.110 19.001 0.000) 25.569 18.448 ( -9.594 -13.909 0.000) 16.897 18.448 ( 9.594 -13.909 0.000) 16.897 20.562 ( -13.487 6.291 0.000) 14.882 20.562 ( 13.487 6.291 0.000) 14.882 20.702 ( -15.181 -7.984 0.000) 17.152 20.702 ( 15.181 -7.984 0.000) 17.152 21.698 ( -1.098 1.408 0.000) 1.786 21.698 ( 1.098 1.408 0.000) 1.786 21.728 ( -0.324 -1.467 0.000) 1.502 21.728 ( 0.324 -1.467 0.000) 1.502 28.652 ( -6.504 15.200 0.000) 16.533 28.652 ( 6.504 15.200 0.000) 16.533 28.923 ( -6.515 -11.702 0.000) 13.393 28.923 ( 6.515 -11.702 0.000) 13.393 29.633 ( -5.089 9.207 0.000) 10.520 29.633 ( 5.089 9.207 0.000) 10.520 29.840 ( -4.090 -11.084 0.000) 11.814 29.840 ( 4.090 -11.084 0.000) 11.814 ======================= Grid point 45 (16/60) ======================= q-point: ( 0.00 0.00 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.67e-09 3.67e-09 3.67e-09 3.67e-09 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.550 ( 0.000 0.000 22.409) 22.409 0.587 ( 0.000 0.000 18.067) 18.067 0.625 ( 0.000 0.000 -1.082) 1.082 1.063 ( 0.000 0.000 50.790) 50.790 1.120 ( 0.000 0.000 12.417) 12.417 1.242 ( 0.000 0.000 -13.770) 13.770 1.608 ( 0.000 0.000 -6.729) 6.729 2.105 ( 0.000 0.000 -2.088) 2.088 2.161 ( 0.000 0.000 -0.935) 0.935 2.222 ( 0.000 0.000 18.094) 18.094 2.412 ( 0.000 0.000 -14.998) 14.998 2.478 ( 0.000 0.000 6.876) 6.876 3.154 ( 0.000 0.000 -13.277) 13.277 3.221 ( 0.000 0.000 7.104) 7.104 3.250 ( 0.000 0.000 -14.086) 14.086 3.396 ( 0.000 0.000 3.418) 3.418 3.818 ( 0.000 0.000 6.947) 6.947 3.921 ( 0.000 0.000 -0.499) 0.499 4.054 ( 0.000 0.000 13.898) 13.898 4.557 ( 0.000 0.000 -2.825) 2.825 4.699 ( 0.000 0.000 -14.891) 14.891 4.714 ( 0.000 0.000 -32.905) 32.905 4.883 ( 0.000 0.000 12.323) 12.323 4.982 ( 0.000 0.000 -6.699) 6.699 5.034 ( 0.000 0.000 8.047) 8.047 5.787 ( 0.000 0.000 19.539) 19.539 5.884 ( 0.000 0.000 3.741) 3.741 5.942 ( 0.000 0.000 4.993) 4.993 6.011 ( 0.000 0.000 7.756) 7.756 6.074 ( 0.000 0.000 11.312) 11.312 6.762 ( 0.000 0.000 7.756) 7.756 6.942 ( 0.000 0.000 -1.688) 1.688 6.976 ( 0.000 0.000 -15.379) 15.379 7.155 ( 0.000 0.000 -8.395) 8.395 7.459 ( 0.000 0.000 -1.442) 1.442 7.467 ( 0.000 0.000 -2.981) 2.981 7.678 ( 0.000 0.000 -3.509) 3.509 7.774 ( 0.000 0.000 -9.067) 9.067 7.933 ( 0.000 0.000 15.910) 15.910 8.178 ( 0.000 0.000 -5.768) 5.768 8.267 ( 0.000 0.000 -12.940) 12.940 8.472 ( 0.000 0.000 -18.980) 18.980 8.573 ( 0.000 0.000 -2.951) 2.951 8.672 ( 0.000 0.000 3.295) 3.295 8.751 ( 0.000 0.000 -7.022) 7.022 8.784 ( 0.000 0.000 7.483) 7.483 9.062 ( 0.000 0.000 -19.257) 19.257 9.144 ( 0.000 0.000 13.934) 13.934 9.508 ( 0.000 0.000 5.190) 5.190 9.529 ( 0.000 0.000 -15.487) 15.487 9.540 ( 0.000 0.000 16.506) 16.506 9.676 ( 0.000 0.000 9.831) 9.831 9.846 ( 0.000 0.000 3.685) 3.685 9.958 ( 0.000 0.000 -0.707) 0.707 10.086 ( 0.000 0.000 8.191) 8.191 10.153 ( 0.000 0.000 -8.064) 8.064 10.337 ( 0.000 0.000 -3.815) 3.815 10.576 ( 0.000 0.000 0.889) 0.889 10.652 ( 0.000 0.000 6.644) 6.644 10.779 ( 0.000 0.000 1.963) 1.963 10.787 ( 0.000 0.000 -1.703) 1.703 11.098 ( 0.000 0.000 4.015) 4.015 11.375 ( 0.000 0.000 2.526) 2.526 12.152 ( 0.000 0.000 -4.297) 4.297 15.756 ( 0.000 0.000 1.481) 1.481 15.795 ( 0.000 0.000 1.156) 1.156 18.660 ( 0.000 0.000 17.047) 17.047 20.118 ( 0.000 0.000 -0.556) 0.556 20.148 ( 0.000 0.000 0.742) 0.742 20.214 ( 0.000 0.000 -4.365) 4.365 21.273 ( 0.000 0.000 -2.857) 2.857 21.419 ( 0.000 0.000 -0.704) 0.704 21.521 ( 0.000 0.000 2.804) 2.804 21.658 ( 0.000 0.000 -4.196) 4.196 21.664 ( 0.000 0.000 -13.864) 13.864 21.776 ( 0.000 0.000 1.018) 1.018 27.770 ( 0.000 0.000 4.326) 4.326 28.036 ( 0.000 0.000 -6.714) 6.714 28.808 ( 0.000 0.000 -2.597) 2.597 28.876 ( 0.000 0.000 -2.644) 2.644 29.683 ( 0.000 0.000 -4.261) 4.261 30.050 ( 0.000 0.000 10.385) 10.385 30.144 ( 0.000 0.000 -5.998) 5.998 30.319 ( 0.000 0.000 3.361) 3.361 ======================= Grid point 46 (17/60) ======================= q-point: ( 0.25 0.00 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.67e-09 3.67e-09 3.67e-09 3.67e-09 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 70 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.612 ( 1.544 0.000 8.498) 8.637 0.629 ( 0.286 0.000 -0.678) 0.736 0.768 ( 17.569 0.000 18.101) 25.226 1.226 ( 4.553 0.000 -10.707) 11.635 1.260 ( 12.834 0.000 10.965) 16.881 1.632 ( 0.667 0.000 -0.853) 1.083 1.650 ( 37.227 0.000 31.904) 49.028 2.111 ( 0.597 0.000 -1.988) 2.075 2.151 ( -0.930 0.000 -1.162) 1.488 2.164 ( -1.529 0.000 15.883) 15.956 2.465 ( -0.383 0.000 2.655) 2.682 2.600 ( 15.459 0.000 -12.361) 19.793 2.881 ( -21.599 0.000 -10.841) 24.167 2.950 ( -15.621 0.000 -12.219) 19.832 3.264 ( -32.099 0.000 6.733) 32.798 3.301 ( 1.966 0.000 3.636) 4.133 3.375 ( -1.241 0.000 4.488) 4.657 3.986 ( -39.307 0.000 -15.263) 42.166 4.203 ( 17.510 0.000 0.566) 17.520 4.522 ( 25.391 0.000 5.203) 25.918 4.644 ( 2.983 0.000 6.039) 6.735 4.723 ( -1.373 0.000 -3.264) 3.541 4.954 ( 11.864 0.000 -12.278) 17.073 5.148 ( 7.526 0.000 5.060) 9.069 5.503 ( 20.017 0.000 -5.100) 20.656 5.614 ( -13.385 0.000 13.990) 19.362 5.700 ( -11.064 0.000 11.895) 16.245 5.760 ( -10.712 0.000 -3.041) 11.136 5.901 ( -8.233 0.000 8.842) 12.082 6.024 ( -6.609 0.000 9.154) 11.290 6.890 ( 12.975 0.000 6.284) 14.417 7.070 ( 10.376 0.000 3.496) 10.949 7.085 ( 8.235 0.000 -11.216) 13.914 7.126 ( -0.015 0.000 -6.870) 6.870 7.475 ( 1.052 0.000 -4.616) 4.734 7.548 ( -3.044 0.000 2.692) 4.064 7.614 ( -2.130 0.000 -0.674) 2.234 7.809 ( -10.845 0.000 12.028) 16.195 7.813 ( 2.222 0.000 5.022) 5.491 8.025 ( 1.214 0.000 -9.579) 9.655 8.300 ( -11.666 0.000 -2.844) 12.008 8.478 ( 0.710 0.000 -15.953) 15.969 8.558 ( -1.883 0.000 -4.541) 4.916 8.635 ( -5.245 0.000 1.805) 5.547 8.771 ( -0.120 0.000 4.548) 4.549 8.837 ( 2.671 0.000 -10.784) 11.110 8.837 ( 8.085 0.000 -5.076) 9.547 9.292 ( -12.499 0.000 -1.363) 12.573 9.293 ( 3.202 0.000 -9.085) 9.633 9.468 ( -3.718 0.000 0.738) 3.790 9.684 ( 3.417 0.000 6.652) 7.479 9.724 ( 7.252 0.000 1.714) 7.452 9.845 ( -0.276 0.000 3.173) 3.185 9.968 ( 1.197 0.000 0.814) 1.448 10.010 ( -10.550 0.000 -4.662) 11.534 10.066 ( -1.979 0.000 7.406) 7.666 10.348 ( 2.959 0.000 2.242) 3.713 10.529 ( -3.554 0.000 2.439) 4.310 10.655 ( 3.053 0.000 4.825) 5.710 10.736 ( -0.494 0.000 -0.776) 0.920 10.905 ( 4.215 0.000 5.009) 6.547 11.082 ( -2.958 0.000 7.148) 7.736 11.720 ( 17.021 0.000 -14.808) 22.561 12.087 ( -5.358 0.000 -4.403) 6.935 15.762 ( 0.535 0.000 1.430) 1.527 15.789 ( -0.535 0.000 1.200) 1.314 18.782 ( 9.590 0.000 11.926) 15.303 19.402 ( -27.536 0.000 21.507) 34.940 20.205 ( 7.733 0.000 0.557) 7.753 20.572 ( -1.163 0.000 -5.977) 6.089 21.285 ( 6.238 0.000 -8.419) 10.478 21.430 ( 1.052 0.000 -0.543) 1.184 21.499 ( -1.850 0.000 1.402) 2.321 21.611 ( -5.161 0.000 -13.722) 14.661 21.684 ( 2.073 0.000 -2.545) 3.282 21.763 ( -1.254 0.000 0.608) 1.394 27.844 ( 5.147 0.000 2.918) 5.917 28.033 ( -1.974 0.000 -1.753) 2.640 28.816 ( 1.084 0.000 -5.476) 5.582 28.888 ( -0.325 0.000 -7.696) 7.703 29.710 ( 2.647 0.000 -2.275) 3.490 29.942 ( -7.620 0.000 4.047) 8.628 30.222 ( 5.087 0.000 1.143) 5.214 30.321 ( 0.014 0.000 3.358) 3.358 ======================= Grid point 47 (18/60) ======================= q-point: (-0.50 0.00 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.67e-09 3.67e-09 3.67e-09 3.67e-09 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 55 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.630 ( -0.321 0.000 1.279) 1.319 0.630 ( 0.321 0.000 1.279) 1.319 1.124 ( -14.330 0.000 5.422) 15.321 1.124 ( 14.330 0.000 5.422) 15.321 1.538 ( -11.157 0.000 6.882) 13.109 1.538 ( 11.157 0.000 6.882) 13.109 2.128 ( -1.101 0.000 -1.780) 2.092 2.128 ( 1.101 0.000 -1.780) 2.092 2.228 ( -4.797 0.000 19.555) 20.135 2.228 ( 4.797 0.000 19.555) 20.135 2.541 ( -10.003 0.000 -6.819) 12.107 2.541 ( 10.003 0.000 -6.819) 12.107 2.682 ( -16.486 0.000 -6.683) 17.789 2.682 ( 16.486 0.000 -6.683) 17.789 3.209 ( -34.439 0.000 -10.200) 35.918 3.209 ( 34.439 0.000 -10.200) 35.918 3.343 ( -1.952 0.000 4.478) 4.885 3.343 ( 1.952 0.000 4.478) 4.885 4.474 ( -10.569 0.000 2.225) 10.801 4.474 ( 10.569 0.000 2.225) 10.801 4.961 ( -14.831 0.000 -5.794) 15.922 4.961 ( 14.831 0.000 -5.794) 15.922 5.039 ( -18.488 0.000 8.654) 20.413 5.039 ( 18.488 0.000 8.654) 20.413 5.541 ( -8.362 0.000 -2.650) 8.772 5.541 ( 8.362 0.000 -2.650) 8.772 5.634 ( -7.943 0.000 2.559) 8.345 5.634 ( 7.943 0.000 2.559) 8.345 5.878 ( -7.152 0.000 9.764) 12.103 5.878 ( 7.152 0.000 9.764) 12.103 7.119 ( -6.216 0.000 -2.348) 6.644 7.119 ( 6.216 0.000 -2.348) 6.644 7.202 ( -0.804 0.000 -1.734) 1.911 7.202 ( 0.804 0.000 -1.734) 1.911 7.537 ( -6.375 0.000 0.817) 6.427 7.537 ( 6.375 0.000 0.817) 6.427 7.571 ( -10.104 0.000 2.486) 10.406 7.571 ( 10.104 0.000 2.486) 10.406 7.858 ( -7.262 0.000 6.378) 9.665 7.858 ( 7.262 0.000 6.378) 9.665 8.432 ( -14.356 0.000 -1.598) 14.445 8.432 ( 14.356 0.000 -1.598) 14.445 8.509 ( -2.367 0.000 -9.682) 9.967 8.509 ( 2.367 0.000 -9.682) 9.967 8.829 ( -3.889 0.000 -3.772) 5.418 8.829 ( 3.889 0.000 -3.772) 5.418 9.044 ( -11.702 0.000 -2.749) 12.020 9.044 ( 11.702 0.000 -2.749) 12.020 9.378 ( -5.240 0.000 -12.176) 13.255 9.378 ( 5.240 0.000 -12.176) 13.255 9.807 ( -8.457 0.000 0.711) 8.487 9.807 ( 8.457 0.000 0.711) 8.487 9.821 ( -2.534 0.000 1.802) 3.109 9.821 ( 2.534 0.000 1.802) 3.109 10.012 ( -2.920 0.000 4.841) 5.653 10.012 ( 2.920 0.000 4.841) 5.653 10.438 ( -5.010 0.000 3.586) 6.161 10.438 ( 5.010 0.000 3.586) 6.161 10.714 ( -2.051 0.000 0.616) 2.142 10.714 ( 2.051 0.000 0.616) 2.142 10.997 ( -4.844 0.000 8.417) 9.711 10.997 ( 4.844 0.000 8.417) 9.711 11.954 ( -8.048 0.000 -8.866) 11.974 11.954 ( 8.048 0.000 -8.866) 11.974 15.775 ( -0.756 0.000 1.312) 1.514 15.775 ( 0.756 0.000 1.312) 1.514 19.012 ( -13.761 0.000 14.339) 19.874 19.012 ( 13.761 0.000 14.339) 19.874 20.405 ( -11.008 0.000 0.599) 11.024 20.405 ( 11.008 0.000 0.599) 11.024 21.460 ( -1.818 0.000 0.054) 1.818 21.460 ( 1.818 0.000 0.054) 1.818 21.463 ( -9.014 0.000 -13.064) 15.872 21.463 ( 9.014 0.000 -13.064) 15.872 21.728 ( -2.118 0.000 -0.593) 2.200 21.728 ( 2.118 0.000 -0.593) 2.200 27.953 ( -5.268 0.000 3.018) 6.071 27.953 ( 5.268 0.000 3.018) 6.071 28.854 ( -2.384 0.000 -9.136) 9.442 28.854 ( 2.384 0.000 -9.136) 9.442 29.798 ( -6.038 0.000 1.669) 6.265 29.798 ( 6.038 0.000 1.669) 6.265 30.301 ( -2.396 0.000 2.558) 3.505 30.301 ( 2.396 0.000 2.558) 3.505 ======================= Grid point 50 (19/60) ======================= q-point: ( 0.00 0.11 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.67e-09 3.67e-09 3.67e-09 3.67e-09 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.671 ( 0.000 8.532 20.214) 21.941 0.673 ( 0.000 13.266 12.890) 18.497 1.208 ( 0.000 17.517 3.280) 17.821 1.436 ( 0.000 46.535 6.631) 47.005 1.463 ( 0.000 44.877 -1.729) 44.910 1.788 ( 0.000 34.218 14.514) 37.169 1.992 ( 0.000 -8.148 21.761) 23.237 2.031 ( 0.000 25.283 -12.022) 27.995 2.359 ( 0.000 6.774 -5.083) 8.469 2.402 ( 0.000 16.633 -4.200) 17.155 2.462 ( 0.000 19.307 3.039) 19.544 2.636 ( 0.000 15.625 -4.378) 16.226 3.157 ( 0.000 5.741 -10.973) 12.384 3.236 ( 0.000 -3.793 -12.575) 13.135 3.584 ( 0.000 -7.534 15.194) 16.959 3.939 ( 0.000 56.132 3.258) 56.226 4.014 ( 0.000 -2.660 12.028) 12.318 4.322 ( 0.000 29.945 -6.290) 30.598 4.340 ( 0.000 -8.277 -18.636) 20.391 4.547 ( 0.000 -10.882 -8.136) 13.587 4.608 ( 0.000 9.670 -2.766) 10.058 4.878 ( 0.000 35.938 -33.290) 48.987 5.008 ( 0.000 3.737 8.100) 8.921 5.139 ( 0.000 14.664 6.083) 15.876 5.341 ( 0.000 31.704 -23.723) 39.597 5.626 ( 0.000 -1.131 8.870) 8.942 5.775 ( 0.000 -13.193 9.646) 16.343 5.974 ( 0.000 0.228 -3.377) 3.385 6.073 ( 0.000 -1.170 11.597) 11.656 6.240 ( 0.000 8.700 -8.471) 12.143 6.623 ( 0.000 -5.967 -5.833) 8.345 6.978 ( 0.000 0.620 -8.241) 8.265 7.078 ( 0.000 5.727 1.147) 5.841 7.184 ( 0.000 5.117 -2.761) 5.814 7.308 ( 0.000 -8.311 2.962) 8.823 7.528 ( 0.000 -4.340 -3.510) 5.582 7.575 ( 0.000 -6.688 -5.474) 8.643 7.781 ( 0.000 1.275 -8.158) 8.258 7.882 ( 0.000 -23.867 -2.457) 23.993 7.973 ( 0.000 3.291 10.905) 11.391 8.243 ( 0.000 -2.806 -8.862) 9.295 8.276 ( 0.000 -26.614 -0.599) 26.620 8.568 ( 0.000 -2.754 -2.591) 3.782 8.659 ( 0.000 2.761 -9.167) 9.574 8.691 ( 0.000 -5.525 -3.288) 6.430 8.709 ( 0.000 -7.726 8.404) 11.416 8.906 ( 0.000 -3.759 -17.267) 17.671 9.075 ( 0.000 -4.662 8.591) 9.774 9.436 ( 0.000 -3.300 6.502) 7.291 9.489 ( 0.000 -4.120 -12.647) 13.302 9.581 ( 0.000 -4.304 1.021) 4.424 9.634 ( 0.000 1.542 15.246) 15.323 9.661 ( 0.000 1.929 -0.446) 1.979 10.042 ( 0.000 -3.293 7.440) 8.137 10.150 ( 0.000 11.238 6.203) 12.837 10.291 ( 0.000 -2.009 2.206) 2.983 10.424 ( 0.000 7.865 -3.328) 8.540 10.595 ( 0.000 -7.280 12.996) 14.896 10.630 ( 0.000 3.319 3.858) 5.089 10.739 ( 0.000 -3.224 -1.523) 3.566 10.754 ( 0.000 4.310 3.068) 5.291 10.981 ( 0.000 -11.316 3.827) 11.946 11.351 ( 0.000 -2.237 1.842) 2.897 11.926 ( 0.000 -11.546 -2.489) 11.812 15.956 ( 0.000 19.822 -0.608) 19.831 16.949 ( 0.000 65.074 -63.419) 90.866 18.680 ( 0.000 1.865 15.936) 16.044 19.936 ( 0.000 -25.876 8.367) 27.195 20.120 ( 0.000 0.043 -0.329) 0.332 20.145 ( 0.000 -0.238 0.692) 0.732 21.100 ( 0.000 -17.337 16.432) 23.887 21.259 ( 0.000 -1.539 -3.142) 3.499 21.464 ( 0.000 -1.514 0.178) 1.525 21.683 ( 0.000 1.350 -2.713) 3.030 21.713 ( 0.000 3.226 -10.238) 10.734 21.761 ( 0.000 -0.482 -1.064) 1.168 27.936 ( 0.000 10.331 -0.727) 10.356 28.095 ( 0.000 6.103 -6.795) 9.134 28.805 ( 0.000 0.102 -1.405) 1.408 28.904 ( 0.000 2.746 -2.469) 3.693 29.648 ( 0.000 -3.562 -3.972) 5.335 30.022 ( 0.000 -2.792 10.272) 10.644 30.102 ( 0.000 -4.110 -5.088) 6.541 30.284 ( 0.000 -2.639 3.636) 4.493 ======================= Grid point 51 (20/60) ======================= q-point: ( 0.25 0.11 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.67e-09 3.67e-09 3.67e-09 3.67e-09 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.873 ( 15.332 11.579 12.373) 22.853 0.982 ( 20.002 7.775 13.591) 25.401 1.264 ( 7.114 19.714 1.877) 21.042 1.427 ( -2.367 45.344 -1.324) 45.425 1.491 ( 4.715 35.343 1.593) 35.692 1.847 ( -0.394 11.754 11.189) 16.233 2.091 ( 7.706 7.179 -0.948) 10.575 2.132 ( 12.702 26.610 15.125) 33.139 2.348 ( -4.200 13.665 1.108) 14.339 2.410 ( -3.065 19.421 -0.114) 19.662 2.508 ( 2.443 -1.809 -10.539) 10.969 2.588 ( 2.993 15.730 -5.763) 17.018 2.914 ( -14.896 3.931 -2.498) 15.607 2.993 ( -12.458 7.845 -7.287) 16.427 3.372 ( -20.398 10.706 6.906) 24.049 3.855 ( -31.070 -9.647 -11.725) 34.582 4.046 ( 7.422 55.644 2.607) 56.197 4.265 ( 15.169 7.085 0.441) 16.748 4.488 ( 1.618 27.502 -11.436) 29.829 4.519 ( -1.144 30.169 -10.616) 32.002 4.703 ( 4.740 10.168 -2.822) 11.567 4.791 ( 8.598 -7.264 -3.981) 11.939 5.013 ( -2.425 21.656 -3.326) 22.043 5.303 ( -2.083 9.888 2.516) 10.413 5.451 ( 2.584 -2.397 16.195) 16.574 5.484 ( -3.829 -3.215 -9.930) 11.118 5.724 ( -3.836 4.955 0.078) 6.267 5.828 ( -5.629 -3.463 -0.119) 6.610 5.984 ( -11.121 9.335 2.436) 14.723 6.096 ( -3.372 5.094 9.242) 11.079 6.723 ( 11.810 -9.258 3.148) 15.333 7.046 ( 4.217 -3.743 -12.576) 13.783 7.097 ( 0.045 -1.495 -1.475) 2.100 7.223 ( 5.584 7.355 3.065) 9.729 7.365 ( 4.650 -8.261 2.188) 9.729 7.538 ( -0.531 -2.590 -3.889) 4.703 7.559 ( -3.640 -5.088 0.064) 6.256 7.698 ( -1.540 -12.058 7.915) 14.505 7.763 ( -12.614 -5.522 1.532) 13.855 8.001 ( 3.881 -1.409 -7.843) 8.863 8.170 ( -5.556 -12.250 -1.075) 13.494 8.361 ( 4.584 -8.411 -8.519) 12.819 8.523 ( -3.928 0.174 -1.445) 4.189 8.619 ( -1.400 -5.348 3.565) 6.577 8.701 ( 1.692 -6.887 2.327) 7.464 8.810 ( 8.763 -3.465 -2.151) 9.665 8.927 ( 0.239 6.241 -14.281) 15.587 9.151 ( 2.785 -11.706 0.330) 12.037 9.327 ( -8.579 -3.072 -3.638) 9.812 9.374 ( -8.149 -6.064 -8.229) 13.072 9.560 ( 0.567 0.224 5.111) 5.148 9.605 ( -2.014 -4.197 0.227) 4.661 9.759 ( 6.896 -0.446 4.224) 8.099 10.006 ( -3.288 -2.062 6.878) 7.898 10.122 ( 0.869 7.609 7.656) 10.829 10.262 ( -3.737 3.756 -4.348) 6.854 10.425 ( 3.773 6.244 0.791) 7.338 10.590 ( -3.183 4.222 0.063) 5.288 10.704 ( 1.449 4.488 3.206) 5.703 10.728 ( -1.319 1.772 0.934) 2.398 10.813 ( 6.339 -7.288 8.785) 13.057 10.971 ( -1.736 -10.906 6.400) 12.764 11.560 ( 14.548 -12.679 -4.478) 19.810 11.895 ( -3.187 -11.849 -3.368) 12.724 16.006 ( 5.130 23.447 -1.822) 24.071 16.573 ( -25.172 55.596 -29.017) 67.577 18.788 ( 8.456 0.383 11.099) 13.959 19.337 ( -24.038 -6.939 19.534) 31.742 20.205 ( 8.074 0.036 0.475) 8.088 20.552 ( 3.104 -2.374 -6.597) 7.667 21.090 ( 6.559 -16.147 1.583) 17.500 21.316 ( 0.837 -7.206 -2.335) 7.621 21.515 ( 4.172 0.888 0.091) 4.266 21.676 ( -2.911 3.810 -9.094) 10.281 21.688 ( 0.151 1.079 -2.903) 3.101 21.745 ( -1.408 -0.858 -1.400) 2.163 27.929 ( 1.276 7.299 1.846) 7.636 28.082 ( -2.577 5.027 -1.667) 5.890 28.817 ( 1.493 0.515 -4.996) 5.240 28.904 ( -0.746 2.090 -6.165) 6.552 29.673 ( 2.685 -3.675 -1.904) 4.934 29.909 ( -7.540 -3.345 4.030) 9.181 30.192 ( 5.274 -3.030 1.180) 6.195 30.290 ( 0.230 -2.763 3.358) 4.354 ======================= Grid point 52 (21/60) ======================= q-point: (-0.50 0.11 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.67e-09 3.67e-09 3.67e-09 3.67e-09 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 95 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.142 ( -7.733 14.173 7.171) 17.667 1.142 ( 7.733 14.173 7.171) 17.667 1.365 ( -2.901 39.046 4.086) 39.366 1.365 ( 2.901 39.046 4.086) 39.366 1.726 ( -16.604 9.020 7.336) 20.270 1.726 ( 16.604 9.020 7.336) 20.270 2.218 ( -7.726 3.713 -6.659) 10.854 2.218 ( 7.726 3.713 -6.659) 10.854 2.318 ( -3.244 9.609 2.405) 10.423 2.318 ( 3.244 9.609 2.405) 10.423 2.531 ( -3.945 17.669 -0.215) 18.105 2.531 ( 3.945 17.669 -0.215) 18.105 2.983 ( -14.229 18.199 3.057) 23.303 2.983 ( 14.229 18.199 3.057) 23.303 3.178 ( -30.822 0.747 -9.058) 32.134 3.178 ( 30.822 0.747 -9.058) 32.134 4.213 ( -11.225 63.296 -5.209) 64.495 4.213 ( 11.225 63.296 -5.209) 64.495 4.552 ( -9.763 8.849 -1.064) 13.220 4.552 ( 9.763 8.849 -1.064) 13.220 4.921 ( -12.047 -3.639 -2.397) 12.811 4.921 ( 12.047 -3.639 -2.397) 12.811 5.044 ( -7.200 0.665 3.347) 7.968 5.044 ( 7.200 0.665 3.347) 7.968 5.407 ( -7.481 -5.049 2.657) 9.409 5.407 ( 7.481 -5.049 2.657) 9.409 5.796 ( -1.210 8.749 -1.706) 8.995 5.796 ( 1.210 8.749 -1.706) 8.995 5.951 ( -6.476 7.233 7.600) 12.329 5.951 ( 6.476 7.233 7.600) 12.329 7.004 ( -10.081 -8.344 2.734) 13.369 7.004 ( 10.081 -8.344 2.734) 13.369 7.190 ( -4.734 -3.049 -5.812) 8.093 7.190 ( 4.734 -3.049 -5.812) 8.093 7.483 ( -4.668 -4.931 -2.790) 7.341 7.483 ( 4.668 -4.931 -2.790) 7.341 7.551 ( -3.538 -5.440 1.632) 6.691 7.551 ( 3.538 -5.440 1.632) 6.691 7.803 ( -13.126 -1.778 3.969) 13.828 7.803 ( 13.126 -1.778 3.969) 13.828 8.303 ( -9.180 -8.609 -0.872) 12.615 8.303 ( 9.180 -8.609 -0.872) 12.615 8.564 ( -4.706 -0.568 -0.410) 4.758 8.564 ( 4.706 -0.568 -0.410) 4.758 8.808 ( -9.116 -2.054 -5.007) 10.601 8.808 ( 9.116 -2.054 -5.007) 10.601 9.027 ( -11.654 -2.268 2.536) 12.140 9.027 ( 11.654 -2.268 2.536) 12.140 9.279 ( -2.256 -10.932 -15.916) 19.440 9.279 ( 2.256 -10.932 -15.916) 19.440 9.574 ( -1.002 -2.283 2.326) 3.409 9.574 ( 1.002 -2.283 2.326) 3.409 9.906 ( -6.610 -0.612 3.622) 7.562 9.906 ( 6.610 -0.612 3.622) 7.562 10.179 ( -4.007 6.930 0.940) 8.060 10.179 ( 4.007 6.930 0.940) 8.060 10.512 ( -4.272 6.580 1.451) 7.978 10.512 ( 4.272 6.580 1.451) 7.978 10.715 ( -0.317 0.829 0.409) 0.978 10.715 ( 0.317 0.829 0.409) 0.978 10.913 ( -3.787 -7.838 9.034) 12.545 10.913 ( 3.787 -7.838 9.034) 12.545 11.788 ( -7.799 -13.482 -5.291) 16.449 11.788 ( 7.799 -13.482 -5.291) 16.449 16.183 ( -13.120 35.485 -7.442) 38.558 16.183 ( 13.120 35.485 -7.442) 38.558 18.992 ( -12.265 -2.324 13.051) 18.060 18.992 ( 12.265 -2.324 13.051) 18.060 20.410 ( -11.025 0.556 0.698) 11.061 20.410 ( 11.025 0.556 0.698) 11.061 21.260 ( -6.428 -11.796 -5.330) 14.452 21.260 ( 6.428 -11.796 -5.330) 14.452 21.598 ( -4.066 5.027 -4.722) 8.006 21.598 ( 4.066 5.027 -4.722) 8.006 21.711 ( -1.707 -0.912 -2.060) 2.826 21.711 ( 1.707 -0.912 -2.060) 2.826 27.998 ( -4.769 4.660 2.702) 7.194 27.998 ( 4.769 4.660 2.702) 7.194 28.864 ( -2.754 1.387 -8.450) 8.995 28.864 ( 2.754 1.387 -8.450) 8.995 29.764 ( -6.214 -3.434 1.737) 7.309 29.764 ( 6.214 -3.434 1.737) 7.309 30.272 ( -2.352 -2.821 2.575) 4.485 30.272 ( 2.352 -2.821 2.575) 4.485 ======================= Grid point 55 (22/60) ======================= q-point: ( 0.00 0.22 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.67e-09 3.67e-09 3.67e-09 3.67e-09 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.006 ( 0.000 18.775 5.534) 19.573 1.080 ( 0.000 29.302 -15.844) 33.311 1.556 ( 0.000 22.969 11.919) 25.878 1.688 ( 0.000 -13.565 22.044) 25.884 2.013 ( 0.000 -4.450 -15.017) 15.663 2.348 ( 0.000 34.519 5.548) 34.962 2.433 ( 0.000 34.872 1.231) 34.894 2.491 ( 0.000 9.928 -12.865) 16.250 2.547 ( 0.000 19.546 -4.019) 19.955 2.647 ( 0.000 19.207 -0.681) 19.219 2.902 ( 0.000 21.483 9.265) 23.396 3.078 ( 0.000 -12.656 -10.557) 16.481 3.213 ( 0.000 35.418 -2.588) 35.513 3.429 ( 0.000 21.846 4.664) 22.338 3.653 ( 0.000 14.257 16.821) 22.050 3.915 ( 0.000 -2.854 5.826) 6.488 4.182 ( 0.000 -0.412 -2.401) 2.436 4.290 ( 0.000 -14.839 -10.383) 18.111 4.618 ( 0.000 17.593 -10.162) 20.317 4.738 ( 0.000 6.498 -1.717) 6.721 5.068 ( 0.000 5.084 8.393) 9.812 5.184 ( 0.000 36.200 2.889) 36.315 5.297 ( 0.000 -1.785 -14.583) 14.692 5.398 ( 0.000 -1.389 -0.988) 1.705 5.587 ( 0.000 13.387 0.769) 13.409 5.627 ( 0.000 21.750 -5.032) 22.324 5.908 ( 0.000 -3.942 -8.723) 9.572 6.056 ( 0.000 11.175 -0.897) 11.211 6.088 ( 0.000 11.964 6.509) 13.620 6.336 ( 0.000 5.789 6.442) 8.661 6.459 ( 0.000 -7.245 -28.986) 29.877 7.003 ( 0.000 -0.014 0.894) 0.894 7.080 ( 0.000 -8.305 6.016) 10.255 7.124 ( 0.000 -8.348 -2.033) 8.591 7.320 ( 0.000 6.337 4.549) 7.800 7.389 ( 0.000 -5.336 -6.794) 8.639 7.451 ( 0.000 -6.453 0.284) 6.460 7.470 ( 0.000 -11.886 3.145) 12.295 7.801 ( 0.000 0.573 -2.499) 2.564 7.803 ( 0.000 -21.410 -3.239) 21.653 8.023 ( 0.000 -0.353 1.599) 1.637 8.175 ( 0.000 -1.996 -2.685) 3.346 8.402 ( 0.000 -10.854 -4.256) 11.659 8.505 ( 0.000 -12.266 9.399) 15.453 8.546 ( 0.000 -8.750 -2.399) 9.073 8.673 ( 0.000 -2.295 -5.560) 6.015 8.917 ( 0.000 -0.267 -3.738) 3.748 9.012 ( 0.000 -2.595 1.385) 2.941 9.360 ( 0.000 -2.273 -2.175) 3.146 9.400 ( 0.000 -5.090 -14.258) 15.139 9.597 ( 0.000 1.306 6.042) 6.181 9.663 ( 0.000 1.702 4.995) 5.277 9.728 ( 0.000 4.062 -2.322) 4.679 9.976 ( 0.000 -4.210 6.599) 7.828 10.139 ( 0.000 -10.535 6.476) 12.366 10.158 ( 0.000 -10.511 4.785) 11.549 10.508 ( 0.000 -2.317 1.110) 2.569 10.571 ( 0.000 4.247 -3.390) 5.434 10.679 ( 0.000 1.539 6.121) 6.312 10.707 ( 0.000 -10.164 0.888) 10.203 10.817 ( 0.000 8.810 3.195) 9.372 10.832 ( 0.000 4.284 7.812) 8.910 11.296 ( 0.000 -3.266 0.649) 3.330 11.751 ( 0.000 -7.960 -10.238) 12.968 16.466 ( 0.000 30.979 -4.610) 31.320 17.819 ( 0.000 29.478 -53.191) 60.813 18.717 ( 0.000 1.465 12.209) 12.297 19.382 ( 0.000 -28.853 10.146) 30.585 20.122 ( 0.000 0.099 -0.282) 0.299 20.139 ( 0.000 -0.318 0.577) 0.659 20.902 ( 0.000 -5.623 11.599) 12.890 21.206 ( 0.000 -4.241 -4.358) 6.081 21.474 ( 0.000 2.672 0.759) 2.777 21.665 ( 0.000 -1.903 -2.666) 3.276 21.764 ( 0.000 1.736 -6.233) 6.470 21.801 ( 0.000 3.187 -1.427) 3.492 28.115 ( 0.000 8.998 0.407) 9.007 28.273 ( 0.000 12.058 -7.608) 14.257 28.833 ( 0.000 3.234 0.384) 3.256 28.974 ( 0.000 4.128 -1.069) 4.264 29.555 ( 0.000 -5.535 -3.684) 6.649 29.943 ( 0.000 -5.343 9.837) 11.194 29.986 ( 0.000 -7.954 -5.052) 9.423 30.218 ( 0.000 -4.475 2.282) 5.024 ======================= Grid point 56 (23/60) ======================= q-point: ( 0.25 0.22 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.67e-09 3.67e-09 3.67e-09 3.67e-09 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.032 ( 11.180 8.694 6.301) 15.501 1.325 ( 9.549 24.570 -7.172) 27.318 1.522 ( 3.251 12.651 10.393) 16.692 1.718 ( 4.271 -5.714 16.524) 17.998 2.130 ( -15.706 -3.376 -10.197) 19.028 2.304 ( 10.462 -1.316 -8.279) 13.406 2.368 ( 2.222 34.733 -1.975) 34.860 2.429 ( -2.342 38.014 -4.321) 38.331 2.590 ( 0.291 25.502 -2.331) 25.610 2.622 ( -1.005 10.069 -1.925) 10.300 2.811 ( -10.027 7.570 9.846) 15.962 3.086 ( 1.374 7.434 -6.415) 9.915 3.160 ( -6.408 32.394 2.668) 33.129 3.348 ( -1.435 28.850 4.060) 29.169 3.513 ( -13.833 9.945 1.563) 17.109 3.803 ( -11.227 9.363 4.868) 15.408 4.256 ( 15.055 -6.304 -4.222) 16.859 4.497 ( 12.640 -2.708 2.755) 13.217 4.628 ( 3.765 2.016 -9.462) 10.381 4.796 ( 1.426 10.653 -7.255) 12.967 5.073 ( -6.187 -13.220 -2.067) 14.741 5.154 ( 2.019 19.426 0.056) 19.531 5.273 ( 1.606 25.638 -4.437) 26.068 5.398 ( -3.293 20.294 4.027) 20.950 5.600 ( -2.912 11.925 3.405) 12.739 5.773 ( -1.245 6.777 -2.471) 7.321 5.820 ( -6.036 11.154 -6.131) 14.087 5.912 ( 0.684 11.443 -4.301) 12.243 6.069 ( -1.670 4.617 0.068) 4.910 6.232 ( -5.492 13.216 7.079) 15.967 6.569 ( 11.300 -7.698 -13.064) 18.911 6.973 ( -3.473 -4.556 -3.393) 6.658 7.092 ( 1.693 -3.442 5.039) 6.333 7.120 ( -1.016 -8.289 -3.074) 8.899 7.274 ( -1.381 -11.036 -1.874) 11.279 7.398 ( -4.421 -7.310 -0.917) 8.592 7.453 ( 1.651 0.978 -1.829) 2.651 7.583 ( 2.742 -3.125 -0.546) 4.193 7.615 ( -1.826 -4.484 2.855) 5.620 7.955 ( 2.913 -7.459 4.242) 9.062 7.974 ( 0.452 -2.193 -0.142) 2.243 8.220 ( 1.821 -6.641 -1.212) 6.992 8.441 ( 2.768 -9.769 -1.240) 10.229 8.466 ( 0.736 -9.171 5.613) 10.777 8.574 ( -5.471 -4.828 3.540) 8.110 8.718 ( 8.716 -4.775 -2.046) 10.147 8.902 ( 4.260 -8.869 -7.274) 12.236 8.993 ( -6.940 -4.359 1.243) 8.289 9.288 ( -9.574 -4.743 -12.291) 16.286 9.290 ( -8.515 0.212 -2.461) 8.866 9.607 ( 0.815 1.654 8.034) 8.243 9.635 ( -0.420 5.077 -4.157) 6.575 9.766 ( 5.024 1.007 0.023) 5.124 9.955 ( -2.177 -4.009 6.683) 8.092 10.113 ( 0.525 -8.369 4.936) 9.730 10.195 ( -0.505 -8.152 -3.493) 8.883 10.529 ( 4.963 -0.173 0.268) 4.974 10.597 ( 1.445 0.629 -3.164) 3.535 10.692 ( -1.760 -4.852 2.944) 5.942 10.722 ( 3.444 -5.998 2.701) 7.425 10.771 ( -2.995 4.289 3.185) 6.124 10.920 ( 1.340 9.805 9.328) 13.599 11.350 ( 7.487 -8.384 -0.672) 11.260 11.705 ( -4.738 -8.413 -7.370) 12.147 16.572 ( 10.683 32.629 -6.889) 35.018 17.455 ( -28.757 34.843 -34.521) 56.857 18.780 ( 4.989 -1.804 8.636) 10.135 19.124 ( -14.348 -14.999 12.703) 24.336 20.209 ( 9.012 0.451 0.201) 9.026 20.476 ( 14.105 -4.855 -6.644) 16.330 20.845 ( -0.239 -7.798 7.463) 10.796 21.174 ( -3.807 -7.492 -3.496) 9.102 21.537 ( 5.202 1.864 -0.977) 5.612 21.672 ( 0.619 -1.511 -2.394) 2.898 21.738 ( -2.284 2.025 -5.301) 6.117 21.776 ( -2.212 2.745 -1.512) 3.837 28.095 ( -0.473 9.653 1.108) 9.728 28.230 ( -4.197 10.330 -2.831) 11.504 28.852 ( 2.245 3.221 -4.061) 5.649 28.971 ( -1.116 4.504 -4.185) 6.249 29.578 ( 2.693 -5.701 -1.231) 6.424 29.815 ( -7.339 -6.257 3.483) 10.254 30.104 ( 5.960 -6.089 1.488) 8.649 30.218 ( -0.205 -4.831 2.575) 5.478 ======================= Grid point 57 (24/60) ======================= q-point: (-0.50 0.22 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.67e-09 3.67e-09 3.67e-09 3.67e-09 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 95 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.392 ( -18.522 -3.050 7.318) 20.147 1.392 ( 18.522 -3.050 7.318) 20.147 1.537 ( -10.312 12.769 0.726) 16.429 1.537 ( 10.312 12.769 0.726) 16.429 2.253 ( -18.748 5.549 -4.559) 20.077 2.253 ( 18.748 5.549 -4.559) 20.077 2.402 ( -2.657 32.787 1.487) 32.928 2.402 ( 2.657 32.787 1.487) 32.928 2.530 ( -5.721 14.503 2.454) 15.782 2.530 ( 5.721 14.503 2.454) 15.782 2.894 ( -14.616 2.169 -9.876) 17.773 2.894 ( 14.616 2.169 -9.876) 17.773 3.239 ( -7.589 25.673 2.460) 26.884 3.239 ( 7.589 25.673 2.460) 26.884 3.517 ( -14.053 25.863 5.089) 29.871 3.517 ( 14.053 25.863 5.089) 29.871 4.566 ( -9.223 -8.736 -8.396) 15.227 4.566 ( 9.223 -8.736 -8.396) 15.227 4.779 ( -6.068 -4.044 -3.828) 8.236 4.779 ( 6.068 -4.044 -3.828) 8.236 5.038 ( -12.366 14.239 -3.309) 19.147 5.038 ( 12.366 14.239 -3.309) 19.147 5.351 ( -7.239 21.676 4.270) 23.248 5.351 ( 7.239 21.676 4.270) 23.248 5.501 ( -10.917 16.344 4.088) 20.075 5.501 ( 10.917 16.344 4.088) 20.075 5.973 ( -3.381 13.394 -1.773) 13.928 5.973 ( 3.381 13.394 -1.773) 13.928 6.093 ( -10.005 7.442 0.152) 12.471 6.093 ( 10.005 7.442 0.152) 12.471 6.857 ( -12.668 -8.010 -4.563) 15.667 6.857 ( 12.668 -8.010 -4.563) 15.667 7.088 ( -2.730 -8.002 0.174) 8.457 7.088 ( 2.730 -8.002 0.174) 8.457 7.297 ( -5.100 -10.015 -4.030) 11.940 7.297 ( 5.100 -10.015 -4.030) 11.940 7.467 ( -5.685 -0.594 -3.035) 6.472 7.467 ( 5.685 -0.594 -3.035) 6.472 7.838 ( -11.197 3.617 3.759) 12.352 7.838 ( 11.197 3.617 3.759) 12.352 8.125 ( -9.021 -9.202 6.461) 14.415 8.125 ( 9.021 -9.202 6.461) 14.415 8.457 ( -1.807 -8.861 4.701) 10.193 8.457 ( 1.807 -8.861 4.701) 10.193 8.706 ( -13.644 -7.947 -1.532) 15.863 8.706 ( 13.644 -7.947 -1.532) 15.863 8.973 ( -6.874 -3.606 7.193) 10.583 8.973 ( 6.874 -3.606 7.193) 10.583 9.114 ( -2.696 -5.441 -18.414) 19.389 9.114 ( 2.696 -5.441 -18.414) 19.389 9.632 ( -1.432 4.885 1.470) 5.298 9.632 ( 1.432 4.885 1.470) 5.298 9.884 ( -5.049 -2.056 3.412) 6.431 9.884 ( 5.049 -2.056 3.412) 6.431 10.154 ( -2.831 -7.769 -3.876) 9.132 10.154 ( 2.831 -7.769 -3.876) 9.132 10.611 ( -2.285 -0.997 -1.450) 2.884 10.611 ( 2.285 -0.997 -1.450) 2.884 10.695 ( -3.926 -1.004 3.521) 5.369 10.695 ( 3.926 -1.004 3.521) 5.369 10.836 ( -6.930 2.965 4.866) 8.971 10.836 ( 6.930 2.965 4.866) 8.971 11.555 ( -9.948 -9.520 -2.498) 13.994 11.555 ( 9.948 -9.520 -2.498) 13.994 16.907 ( -22.582 35.937 -15.200) 45.083 16.907 ( 22.582 35.937 -15.200) 45.083 18.906 ( -7.869 -7.000 9.214) 13.994 18.906 ( 7.869 -7.000 9.214) 13.994 20.428 ( -10.968 1.395 0.833) 11.088 20.428 ( 10.968 1.395 0.833) 11.088 21.027 ( -10.946 -11.597 -4.160) 16.481 21.027 ( 10.946 -11.597 -4.160) 16.481 21.642 ( -4.360 0.361 -3.213) 5.427 21.642 ( 4.360 0.361 -3.213) 5.427 21.727 ( -2.015 1.924 -1.906) 3.375 21.727 ( 2.015 1.924 -1.906) 3.375 28.134 ( -4.193 9.301 1.229) 10.276 28.134 ( 4.193 9.301 1.229) 10.276 28.918 ( -3.671 3.955 -7.283) 9.064 28.918 ( 3.671 3.955 -7.283) 9.064 29.672 ( -6.336 -5.697 2.097) 8.775 29.672 ( 6.336 -5.697 2.097) 8.775 30.193 ( -2.685 -5.405 2.440) 6.510 30.193 ( 2.685 -5.405 2.440) 6.510 ======================= Grid point 60 (25/60) ======================= q-point: ( 0.00 0.33 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.67e-09 3.67e-09 3.67e-09 3.67e-09 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.261 ( 0.000 2.914 9.125) 9.579 1.591 ( 0.000 9.481 3.603) 10.143 1.644 ( 0.000 17.194 -28.615) 33.383 1.890 ( 0.000 4.006 -17.628) 18.077 2.103 ( 0.000 32.392 13.037) 34.917 2.337 ( 0.000 -8.554 3.381) 9.198 2.499 ( 0.000 -4.158 -0.539) 4.193 2.712 ( 0.000 -21.726 -11.896) 24.770 2.827 ( 0.000 6.557 -1.038) 6.638 3.014 ( 0.000 -0.584 13.249) 13.262 3.236 ( 0.000 29.864 1.888) 29.924 3.315 ( 0.000 31.006 -0.089) 31.006 3.825 ( 0.000 20.567 -10.559) 23.119 3.831 ( 0.000 12.052 3.172) 12.463 3.949 ( 0.000 4.323 -4.906) 6.540 4.060 ( 0.000 7.457 3.031) 8.049 4.107 ( 0.000 18.434 2.741) 18.636 4.315 ( 0.000 12.704 8.533) 15.304 4.648 ( 0.000 -8.124 -2.279) 8.437 4.761 ( 0.000 -7.766 3.701) 8.603 5.105 ( 0.000 -4.338 -16.090) 16.665 5.118 ( 0.000 -5.682 -5.908) 8.197 5.441 ( 0.000 18.566 6.564) 19.692 5.686 ( 0.000 11.642 15.725) 19.565 5.747 ( 0.000 -19.626 -14.980) 24.690 5.880 ( 0.000 -0.174 -10.947) 10.948 5.972 ( 0.000 14.962 -5.637) 15.988 6.190 ( 0.000 22.877 -20.766) 30.896 6.263 ( 0.000 5.482 12.714) 13.845 6.487 ( 0.000 7.241 5.513) 9.100 6.564 ( 0.000 3.004 5.073) 5.896 6.856 ( 0.000 -8.419 7.308) 11.149 6.938 ( 0.000 -5.295 -2.779) 5.980 7.029 ( 0.000 -2.267 -4.493) 5.033 7.253 ( 0.000 -8.410 -0.965) 8.466 7.329 ( 0.000 2.588 2.565) 3.644 7.461 ( 0.000 -9.860 -1.422) 9.962 7.528 ( 0.000 7.312 6.808) 9.991 7.543 ( 0.000 11.601 -6.701) 13.397 7.839 ( 0.000 3.555 -0.139) 3.557 7.957 ( 0.000 -1.856 4.367) 4.745 8.181 ( 0.000 -1.708 7.928) 8.110 8.190 ( 0.000 -10.806 -4.791) 11.820 8.303 ( 0.000 -3.780 -0.293) 3.791 8.345 ( 0.000 -11.948 -0.473) 11.958 8.610 ( 0.000 -3.577 -8.540) 9.259 8.880 ( 0.000 -1.139 9.479) 9.547 8.931 ( 0.000 -6.489 -1.106) 6.583 9.277 ( 0.000 -7.490 -11.741) 13.927 9.305 ( 0.000 -5.340 -5.611) 7.745 9.502 ( 0.000 -12.180 9.698) 15.569 9.717 ( 0.000 -21.193 5.253) 21.835 9.723 ( 0.000 3.709 -1.390) 3.961 9.808 ( 0.000 1.819 -3.415) 3.869 9.973 ( 0.000 -4.977 2.482) 5.561 9.997 ( 0.000 -3.209 5.330) 6.221 10.471 ( 0.000 -0.694 -3.605) 3.671 10.477 ( 0.000 -4.095 -0.151) 4.098 10.744 ( 0.000 7.300 -6.995) 10.110 10.758 ( 0.000 7.237 7.207) 10.213 10.931 ( 0.000 5.453 2.408) 5.961 11.005 ( 0.000 7.435 2.694) 7.908 11.229 ( 0.000 -3.727 0.280) 3.738 11.571 ( 0.000 -11.490 -12.050) 16.650 17.092 ( 0.000 32.503 -6.862) 33.219 18.225 ( 0.000 13.821 -31.280) 34.197 18.721 ( 0.000 -1.275 5.120) 5.276 18.849 ( 0.000 -25.638 -1.170) 25.665 20.124 ( 0.000 0.111 -0.166) 0.199 20.134 ( 0.000 -0.255 0.437) 0.506 20.837 ( 0.000 -1.229 7.736) 7.833 21.093 ( 0.000 -7.062 -6.114) 9.341 21.561 ( 0.000 5.827 1.437) 6.001 21.651 ( 0.000 0.716 -2.865) 2.953 21.777 ( 0.000 -0.302 -3.691) 3.703 21.838 ( 0.000 0.238 0.738) 0.776 28.304 ( 0.000 10.588 -0.768) 10.616 28.532 ( 0.000 13.018 -10.022) 16.429 28.934 ( 0.000 6.998 2.063) 7.296 29.037 ( 0.000 1.686 3.576) 3.953 29.472 ( 0.000 -1.902 -4.994) 5.344 29.797 ( 0.000 -11.238 -5.064) 12.326 29.827 ( 0.000 -5.885 9.032) 10.780 30.100 ( 0.000 -7.824 1.615) 7.989 ======================= Grid point 61 (26/60) ======================= q-point: ( 0.25 0.33 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.67e-09 3.67e-09 3.67e-09 3.67e-09 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.241 ( -2.347 9.414 -0.292) 9.707 1.518 ( -5.998 1.559 1.144) 6.302 1.749 ( 6.882 12.255 -11.870) 18.397 1.993 ( -13.228 1.933 -0.125) 13.369 2.008 ( 13.638 17.840 0.197) 22.456 2.272 ( 11.919 0.937 -8.404) 14.614 2.623 ( 4.332 6.537 1.459) 7.976 2.694 ( -16.292 -10.813 5.317) 20.264 2.736 ( -12.489 4.198 2.290) 13.373 2.907 ( 1.999 -12.964 -10.506) 16.806 3.228 ( -0.466 31.297 1.659) 31.345 3.287 ( -2.955 29.914 -0.832) 30.071 3.701 ( -2.815 15.341 -1.534) 15.672 3.865 ( -5.495 17.439 5.512) 19.097 3.920 ( -1.829 17.188 -2.566) 17.475 4.043 ( 2.845 6.610 -4.144) 8.304 4.107 ( 0.919 13.736 4.251) 14.408 4.442 ( 2.334 -8.916 -0.448) 9.228 4.585 ( -1.410 -5.074 -2.943) 6.033 4.735 ( 3.869 -7.214 4.832) 9.505 5.082 ( 6.317 11.567 -11.675) 17.607 5.359 ( 6.220 0.673 -0.188) 6.259 5.550 ( 5.143 4.109 3.402) 7.410 5.706 ( 3.220 9.749 -6.626) 12.220 5.781 ( -3.219 6.105 -3.552) 7.762 5.894 ( -3.845 16.604 -1.144) 17.082 5.953 ( -8.795 -0.588 6.078) 10.707 6.029 ( 11.003 -4.045 -2.062) 11.903 6.308 ( 4.322 20.452 -15.424) 25.978 6.494 ( -3.725 11.210 7.224) 13.846 6.614 ( 5.136 5.075 1.121) 7.307 6.829 ( -4.147 -8.954 0.495) 9.881 6.897 ( -2.227 -9.152 -1.361) 9.517 6.974 ( -3.921 -0.644 -2.664) 4.784 7.094 ( -6.510 -11.491 -0.522) 13.217 7.333 ( -10.500 -10.508 0.321) 14.859 7.512 ( 8.196 4.422 2.135) 9.554 7.533 ( 0.233 10.073 -5.891) 11.671 7.701 ( 14.187 7.280 5.760) 16.954 7.888 ( 1.971 -1.448 7.069) 7.480 7.947 ( 0.106 1.920 3.050) 3.606 8.127 ( -5.569 -1.352 2.417) 6.220 8.211 ( 1.105 -11.827 5.094) 12.925 8.314 ( 9.098 -6.636 -2.047) 11.446 8.484 ( 0.219 -4.251 0.430) 4.279 8.638 ( 3.530 -4.199 -3.386) 6.446 8.733 ( -4.073 -7.717 -4.581) 9.855 8.882 ( -5.091 -5.474 4.807) 8.887 9.166 ( -11.248 -7.803 -9.175) 16.479 9.251 ( -8.580 -5.152 -0.392) 10.016 9.515 ( 2.286 -13.198 8.552) 15.892 9.669 ( -3.009 -15.208 5.742) 16.532 9.789 ( 5.213 -1.282 -5.946) 8.011 9.797 ( 1.885 2.423 -0.941) 3.211 9.976 ( -0.420 -2.735 1.290) 3.053 10.044 ( 1.868 -5.482 -1.484) 5.979 10.495 ( 2.441 0.529 -3.410) 4.227 10.543 ( 4.600 -0.618 -0.428) 4.661 10.743 ( 1.035 9.349 -2.623) 9.765 10.746 ( 0.610 3.238 1.167) 3.496 10.891 ( -3.067 6.423 1.436) 7.261 11.056 ( -3.234 3.261 4.172) 6.204 11.225 ( 5.229 -4.976 -1.384) 7.350 11.530 ( -4.210 -10.607 -8.017) 13.946 17.204 ( 11.007 31.661 -8.779) 34.650 17.983 ( -21.296 21.218 -25.439) 39.382 18.683 ( -0.883 -11.039 5.446) 12.341 18.795 ( -4.265 -15.643 1.232) 16.261 20.228 ( 10.537 1.594 -0.118) 10.658 20.392 ( 17.711 -3.673 -4.187) 18.567 20.764 ( -6.171 -1.249 6.156) 8.805 21.027 ( -6.491 -7.597 -5.167) 11.249 21.593 ( 2.819 3.784 -0.373) 4.734 21.661 ( 0.807 0.482 -2.365) 2.545 21.756 ( -1.770 -0.082 -2.961) 3.451 21.806 ( -2.867 0.004 0.705) 2.952 28.301 ( 0.455 11.601 -0.577) 11.624 28.469 ( -5.693 13.566 -5.194) 15.602 28.913 ( 0.727 1.223 -2.651) 3.009 29.053 ( -1.443 3.058 -2.055) 3.957 29.491 ( 2.888 -1.853 -0.670) 3.496 29.694 ( -5.112 -4.740 2.114) 7.285 29.957 ( 6.639 -8.926 2.499) 11.401 30.095 ( -0.682 -8.048 1.961) 8.311 ======================= Grid point 62 (27/60) ======================= q-point: (-0.50 0.33 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.67e-09 3.67e-09 3.67e-09 3.67e-09 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 95 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.290 ( -10.702 1.182 -2.910) 11.153 1.290 ( 10.702 1.182 -2.910) 11.153 1.925 ( -6.037 19.097 -2.335) 20.164 1.925 ( 6.037 19.097 -2.335) 20.164 2.266 ( -10.738 -9.659 2.979) 14.747 2.266 ( 10.738 -9.659 2.979) 14.747 2.537 ( -8.742 11.132 3.712) 14.633 2.537 ( 8.742 11.132 3.712) 14.633 2.762 ( -11.188 -9.064 -12.033) 18.765 2.762 ( 11.188 -9.064 -12.033) 18.765 3.237 ( -1.519 31.016 0.135) 31.053 3.237 ( 1.519 31.016 0.135) 31.053 3.731 ( -4.617 17.921 2.272) 18.645 3.731 ( 4.617 17.921 2.272) 18.645 3.983 ( -4.817 18.005 -0.808) 18.656 3.983 ( 4.817 18.005 -0.808) 18.656 4.274 ( -11.334 -9.649 -4.355) 15.509 4.274 ( 11.334 -9.649 -4.355) 15.509 4.715 ( -6.718 -7.623 0.209) 10.163 4.715 ( 6.718 -7.623 0.209) 10.163 5.380 ( -18.688 17.778 0.671) 25.802 5.380 ( 18.688 17.778 0.671) 25.802 5.509 ( -3.000 3.348 -2.011) 4.925 5.509 ( 3.000 3.348 -2.011) 4.925 5.761 ( -4.781 12.063 -0.026) 12.976 5.761 ( 4.781 12.063 -0.026) 12.976 6.175 ( -9.341 3.252 -0.637) 9.911 6.175 ( 9.341 3.252 -0.637) 9.911 6.371 ( -6.935 11.602 -3.014) 13.849 6.371 ( 6.935 11.602 -3.014) 13.849 6.712 ( -6.304 0.004 -5.757) 8.537 6.712 ( 6.304 0.004 -5.757) 8.537 6.901 ( -2.971 -7.189 -1.108) 7.857 6.901 ( 2.971 -7.189 -1.108) 7.857 7.113 ( -8.679 -12.348 2.972) 15.383 7.113 ( 8.679 -12.348 2.972) 15.383 7.568 ( -2.011 8.037 -2.408) 8.627 7.568 ( 2.011 8.037 -2.408) 8.627 7.922 ( -4.968 6.168 5.693) 9.753 7.922 ( 4.968 6.168 5.693) 9.753 7.987 ( -8.087 -4.937 4.207) 10.367 7.987 ( 8.087 -4.937 4.207) 10.367 8.298 ( -9.347 -5.039 7.798) 13.174 8.298 ( 9.347 -5.039 7.798) 13.174 8.557 ( -12.454 -7.422 -1.971) 14.631 8.557 ( 12.454 -7.422 -1.971) 14.631 8.862 ( -10.429 -7.332 1.774) 12.871 8.862 ( 10.429 -7.332 1.774) 12.871 9.007 ( -9.520 -6.247 -8.871) 14.434 9.007 ( 9.520 -6.247 -8.871) 14.434 9.591 ( -4.395 -14.866 6.866) 16.955 9.591 ( 4.395 -14.866 6.866) 16.955 9.845 ( -1.757 1.811 1.464) 2.918 9.845 ( 1.757 1.811 1.464) 2.918 10.015 ( -3.976 -4.319 -7.438) 9.476 10.015 ( 3.976 -4.319 -7.438) 9.476 10.557 ( -2.826 2.492 -2.209) 4.367 10.557 ( 2.826 2.492 -2.209) 4.367 10.790 ( -2.018 5.760 0.247) 6.108 10.790 ( 2.018 5.760 0.247) 6.108 10.891 ( -8.169 2.308 0.111) 8.489 10.891 ( 8.169 2.308 0.111) 8.489 11.398 ( -8.584 -7.980 -1.975) 11.885 11.398 ( 8.584 -7.980 -1.975) 11.885 17.529 ( -20.638 28.381 -14.804) 38.087 17.529 ( 20.638 28.381 -14.804) 38.087 18.712 ( -3.290 -13.012 3.098) 13.774 18.712 ( 3.290 -13.012 3.098) 13.774 20.471 ( -10.945 3.181 0.516) 11.410 20.471 ( 10.945 3.181 0.516) 11.410 20.827 ( -12.572 -8.952 -3.730) 15.878 20.827 ( 12.572 -8.952 -3.730) 15.878 21.653 ( -2.394 1.173 -2.538) 3.681 21.653 ( 2.394 1.173 -2.538) 3.681 21.747 ( -2.005 -0.080 -0.076) 2.008 21.747 ( 2.005 -0.080 -0.076) 2.008 28.351 ( -4.724 12.857 -1.142) 13.744 28.351 ( 4.724 12.857 -1.142) 13.744 28.977 ( -4.679 0.124 -6.138) 7.719 28.977 ( 4.679 0.124 -6.138) 7.719 29.586 ( -5.560 -1.330 2.618) 6.288 29.586 ( 5.560 -1.330 2.618) 6.288 30.059 ( -3.226 -8.524 2.360) 9.415 30.059 ( 3.226 -8.524 2.360) 9.415 ======================= Grid point 65 (28/60) ======================= q-point: ( 0.00 0.44 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.67e-09 3.67e-09 3.67e-09 3.67e-09 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.301 ( 0.000 6.088 -6.621) 8.995 1.510 ( 0.000 -13.593 -19.009) 23.369 1.906 ( 0.000 18.477 -1.446) 18.534 2.232 ( 0.000 -1.100 10.060) 10.120 2.237 ( 0.000 -5.029 -3.304) 6.017 2.296 ( 0.000 -10.740 -2.986) 11.147 2.505 ( 0.000 16.074 -14.282) 21.502 2.705 ( 0.000 15.814 12.745) 20.310 2.911 ( 0.000 13.869 -8.151) 16.087 3.018 ( 0.000 4.336 2.322) 4.918 3.314 ( 0.000 -20.334 -18.665) 27.602 3.435 ( 0.000 -17.300 2.139) 17.432 3.974 ( 0.000 11.450 -0.924) 11.487 4.079 ( 0.000 17.811 -3.496) 18.151 4.178 ( 0.000 -1.559 3.718) 4.032 4.327 ( 0.000 -0.932 -0.965) 1.342 4.334 ( 0.000 17.103 -6.410) 18.264 4.468 ( 0.000 0.720 -4.479) 4.537 4.598 ( 0.000 4.757 4.927) 6.849 4.675 ( 0.000 0.967 16.464) 16.492 5.037 ( 0.000 -0.837 -11.236) 11.267 5.112 ( 0.000 -2.522 -6.690) 7.150 5.400 ( 0.000 -3.308 0.063) 3.308 5.636 ( 0.000 -15.334 15.748) 21.981 5.807 ( 0.000 17.172 4.129) 17.662 5.988 ( 0.000 4.263 -11.206) 11.990 6.081 ( 0.000 5.362 7.011) 8.826 6.234 ( 0.000 -14.335 8.916) 16.882 6.494 ( 0.000 8.811 -7.678) 11.687 6.563 ( 0.000 -2.572 3.717) 4.520 6.610 ( 0.000 9.818 -12.738) 16.082 6.761 ( 0.000 -7.974 -5.541) 9.710 6.954 ( 0.000 13.309 0.359) 13.314 7.057 ( 0.000 -0.794 -7.851) 7.891 7.148 ( 0.000 -0.706 4.623) 4.677 7.181 ( 0.000 -8.614 -6.944) 11.065 7.578 ( 0.000 3.208 5.038) 5.973 7.602 ( 0.000 -3.040 -2.964) 4.246 7.720 ( 0.000 13.360 14.554) 19.756 7.876 ( 0.000 1.587 5.106) 5.347 7.938 ( 0.000 -3.109 6.203) 6.938 8.045 ( 0.000 -2.532 -5.348) 5.917 8.113 ( 0.000 -8.621 1.201) 8.704 8.148 ( 0.000 -0.915 -6.172) 6.239 8.488 ( 0.000 16.283 9.916) 19.064 8.559 ( 0.000 -0.650 -9.027) 9.050 8.782 ( 0.000 -4.448 -6.176) 7.611 8.930 ( 0.000 6.047 7.252) 9.443 9.073 ( 0.000 -20.385 2.567) 20.546 9.138 ( 0.000 -8.269 -1.631) 8.429 9.256 ( 0.000 -6.032 3.014) 6.743 9.299 ( 0.000 -14.820 3.492) 15.226 9.793 ( 0.000 3.177 -1.971) 3.738 9.831 ( 0.000 -0.463 -2.870) 2.907 9.940 ( 0.000 0.307 1.765) 1.791 9.958 ( 0.000 -1.339 3.757) 3.989 10.477 ( 0.000 1.660 -1.867) 2.498 10.484 ( 0.000 0.949 -2.903) 3.054 10.906 ( 0.000 7.879 -8.529) 11.611 10.911 ( 0.000 6.486 3.020) 7.155 11.034 ( 0.000 5.356 -1.802) 5.651 11.097 ( 0.000 4.106 -0.049) 4.107 11.145 ( 0.000 -4.863 -0.329) 4.874 11.306 ( 0.000 -14.765 -10.154) 17.919 17.695 ( 0.000 29.386 -5.939) 29.980 18.209 ( 0.000 -21.049 -2.879) 21.245 18.569 ( 0.000 2.567 -19.533) 19.701 18.664 ( 0.000 -4.511 -5.880) 7.410 20.126 ( 0.000 0.158 0.000) 0.158 20.130 ( 0.000 -0.194 0.238) 0.307 20.856 ( 0.000 3.215 1.678) 3.626 20.955 ( 0.000 -6.602 -4.351) 7.907 21.671 ( 0.000 4.396 0.579) 4.434 21.682 ( 0.000 1.836 -2.180) 2.850 21.763 ( 0.000 -0.262 -1.148) 1.177 21.807 ( 0.000 -3.187 1.818) 3.669 28.516 ( 0.000 10.740 -3.193) 11.204 28.664 ( 0.000 -1.885 -8.496) 8.703 29.071 ( 0.000 5.468 1.841) 5.770 29.077 ( 0.000 3.621 3.123) 4.782 29.473 ( 0.000 1.121 -1.886) 2.194 29.577 ( 0.000 -10.130 -2.734) 10.493 29.781 ( 0.000 3.134 4.712) 5.659 29.925 ( 0.000 -9.602 1.545) 9.726 ======================= Grid point 66 (29/60) ======================= q-point: ( 0.25 0.44 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.67e-09 3.67e-09 3.67e-09 3.67e-09 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.374 ( 4.582 9.144 -8.616) 13.373 1.596 ( 5.611 -8.176 -13.452) 16.711 1.818 ( -9.330 9.548 -1.336) 13.417 1.969 ( -1.449 -1.768 6.344) 6.743 2.222 ( -5.061 0.834 1.649) 5.387 2.399 ( -10.035 -14.925 -7.555) 19.507 2.577 ( 17.262 22.870 -4.986) 29.084 2.752 ( -5.215 -4.480 4.608) 8.276 2.766 ( -16.065 8.497 0.720) 18.188 2.969 ( 5.427 19.734 -7.446) 21.779 3.261 ( 0.230 -19.777 -18.249) 26.911 3.470 ( 1.125 -13.671 -1.462) 13.795 3.934 ( -2.197 14.707 0.412) 14.875 4.100 ( -3.024 14.835 0.849) 15.163 4.121 ( -0.751 2.179 1.612) 2.813 4.269 ( -4.685 0.849 1.832) 5.102 4.380 ( -2.560 6.828 -1.256) 7.399 4.422 ( -1.556 9.907 2.619) 10.365 4.497 ( -2.978 0.959 -1.065) 3.305 4.624 ( -4.872 -8.317 8.977) 13.171 5.226 ( 15.543 4.478 -3.564) 16.563 5.348 ( 18.222 -1.062 -5.806) 19.155 5.555 ( 11.942 -5.270 -2.986) 13.390 5.670 ( 0.056 -5.510 3.538) 6.549 5.840 ( 3.339 8.136 -5.040) 10.136 6.013 ( 3.948 0.021 -4.290) 5.830 6.100 ( -0.433 12.265 11.001) 16.482 6.258 ( -0.945 4.688 -5.180) 7.050 6.426 ( -7.301 -0.049 5.175) 8.949 6.532 ( -1.962 1.230 -4.064) 4.677 6.644 ( 8.107 -3.236 -0.831) 8.768 6.714 ( -0.402 -10.193 -8.867) 13.516 6.913 ( -3.891 9.432 -5.438) 11.562 6.933 ( -9.672 3.767 3.537) 10.966 7.068 ( -7.244 1.923 -0.648) 7.523 7.142 ( -8.172 -8.697 5.758) 13.251 7.567 ( 3.268 3.972 -1.561) 5.375 7.688 ( 5.704 -4.060 -0.691) 7.036 7.791 ( 1.168 6.190 5.674) 8.478 7.913 ( 0.363 -3.420 3.342) 4.796 7.957 ( 5.712 6.730 4.397) 9.862 8.083 ( 7.299 -0.614 4.079) 8.384 8.166 ( 4.097 -1.614 -0.956) 4.506 8.269 ( 8.447 2.272 -1.042) 8.809 8.477 ( 1.645 2.790 4.750) 5.749 8.556 ( -2.946 -5.506 -6.727) 9.179 8.617 ( -12.764 4.679 -1.799) 13.713 8.872 ( -2.996 2.927 3.913) 5.732 8.981 ( -10.113 -12.029 4.187) 16.263 9.125 ( -2.262 -8.036 -1.254) 8.442 9.204 ( -5.172 -11.437 6.861) 14.305 9.258 ( -2.835 -16.476 2.875) 16.963 9.836 ( 4.367 2.043 -3.546) 5.985 9.846 ( 3.074 1.391 -5.056) 6.079 9.958 ( -0.200 0.158 1.762) 1.781 9.978 ( 1.176 -1.971 0.916) 2.471 10.548 ( 6.516 3.818 -2.697) 8.019 10.583 ( 8.569 1.024 -2.748) 9.057 10.850 ( -4.043 7.645 -3.526) 9.339 10.933 ( -0.899 5.717 -2.666) 6.372 11.009 ( -1.647 6.584 -1.600) 6.973 11.061 ( -4.986 0.327 -0.864) 5.071 11.138 ( 2.185 -3.887 -0.499) 4.487 11.284 ( -2.379 -14.075 -6.881) 15.847 17.780 ( 8.277 27.631 -7.057) 29.695 18.242 ( 1.307 -11.030 -5.928) 12.590 18.381 ( -12.647 1.619 -11.701) 17.305 18.583 ( -7.774 -10.374 -6.226) 14.381 20.270 ( 12.990 2.699 -0.509) 13.278 20.328 ( 15.984 -3.123 -1.738) 16.378 20.787 ( -7.039 3.455 1.217) 7.935 20.888 ( -6.888 -6.546 -3.811) 10.238 21.670 ( 0.319 3.414 -0.073) 3.430 21.683 ( 0.184 1.379 -1.801) 2.276 21.745 ( -1.580 -0.415 -1.126) 1.984 21.777 ( -2.636 -2.698 1.417) 4.030 28.535 ( 2.205 11.996 -2.962) 12.552 28.681 ( 0.798 2.794 -7.929) 8.444 28.888 ( -8.592 1.633 1.152) 8.821 29.030 ( -8.125 -6.653 -2.885) 10.890 29.542 ( 6.760 7.143 2.078) 10.052 29.677 ( 4.394 -0.655 -1.529) 4.698 29.793 ( 1.995 -3.666 4.949) 6.474 29.915 ( -1.155 -9.932 1.703) 10.142 ======================= Grid point 67 (30/60) ======================= q-point: (-0.50 0.44 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.67e-09 3.67e-09 3.67e-09 3.67e-09 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 95 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.487 ( -9.825 17.771 -3.921) 20.681 1.487 ( 9.825 17.771 -3.921) 20.681 1.892 ( -14.048 -21.465 0.122) 25.653 1.892 ( 14.048 -21.465 0.122) 25.653 2.271 ( -1.542 13.778 -3.524) 14.305 2.271 ( 1.542 13.778 -3.524) 14.305 2.533 ( -5.344 -12.986 -5.491) 15.078 2.533 ( 5.344 -12.986 -5.491) 15.078 2.936 ( -12.563 25.318 -4.247) 28.581 2.936 ( 12.563 25.318 -4.247) 28.581 3.393 ( -8.751 -17.155 -7.895) 20.813 3.393 ( 8.751 -17.155 -7.895) 20.813 3.965 ( -5.839 15.623 2.824) 16.915 3.965 ( 5.839 15.623 2.824) 16.915 4.169 ( -3.421 1.932 3.310) 5.137 4.169 ( 3.421 1.932 3.310) 5.137 4.375 ( -3.211 7.605 3.206) 8.856 4.375 ( 3.211 7.605 3.206) 8.856 4.513 ( -3.581 -8.677 -0.040) 9.387 4.513 ( 3.581 -8.677 -0.040) 9.387 5.530 ( -11.160 7.394 -1.512) 13.473 5.530 ( 11.160 7.394 -1.512) 13.473 5.698 ( -4.943 -3.746 0.470) 6.219 5.698 ( 4.943 -3.746 0.470) 6.219 5.902 ( -8.201 12.940 -11.762) 19.314 5.902 ( 8.201 12.940 -11.762) 19.314 6.166 ( -10.278 -8.370 -6.293) 14.673 6.166 ( 10.278 -8.370 -6.293) 14.673 6.468 ( -12.979 11.248 5.998) 18.192 6.468 ( 12.979 11.248 5.998) 18.192 6.760 ( -2.981 -12.527 -1.115) 12.925 6.760 ( 2.981 -12.527 -1.115) 12.925 6.874 ( -5.771 3.623 1.922) 7.080 6.874 ( 5.771 3.623 1.922) 7.080 6.919 ( -6.932 0.308 4.678) 8.368 6.919 ( 6.932 0.308 4.678) 8.368 7.689 ( -6.436 5.814 -2.219) 8.952 7.689 ( 6.436 5.814 -2.219) 8.952 7.834 ( -5.712 -8.806 -0.567) 10.512 7.834 ( 5.712 -8.806 -0.567) 10.512 8.150 ( -6.815 12.815 5.475) 15.513 8.150 ( 6.815 12.815 5.475) 15.513 8.308 ( -13.814 0.565 1.529) 13.910 8.308 ( 13.814 0.565 1.529) 13.910 8.441 ( -8.028 1.275 3.916) 9.023 8.441 ( 8.028 1.275 3.916) 9.023 8.669 ( -14.776 -13.276 0.802) 19.880 8.669 ( 14.776 -13.276 0.802) 19.880 8.962 ( -8.382 4.148 0.235) 9.355 8.962 ( 8.382 4.148 0.235) 9.355 9.201 ( -2.376 -19.805 3.218) 20.204 9.201 ( 2.376 -19.805 3.218) 20.204 9.907 ( -1.944 3.118 -0.720) 3.744 9.907 ( 1.944 3.118 -0.720) 3.744 9.958 ( -2.572 -2.382 -3.220) 4.760 9.958 ( 2.572 -2.382 -3.220) 4.760 10.694 ( -5.462 8.745 -4.308) 11.174 10.694 ( 5.462 8.745 -4.308) 11.174 10.817 ( -7.722 -3.238 -2.196) 8.657 10.817 ( 7.722 -3.238 -2.196) 8.657 11.000 ( -0.809 9.413 -1.588) 9.580 11.000 ( 0.809 9.413 -1.588) 9.580 11.212 ( -4.315 -11.191 -2.343) 12.220 11.212 ( 4.315 -11.191 -2.343) 12.220 18.018 ( -14.727 22.478 -10.316) 28.784 18.018 ( 14.727 22.478 -10.316) 28.784 18.409 ( -8.040 -17.998 -3.958) 20.106 18.409 ( 8.040 -17.998 -3.958) 20.106 20.554 ( -11.393 5.363 -0.704) 12.612 20.554 ( 11.393 5.363 -0.704) 12.612 20.674 ( -12.213 -7.017 -2.484) 14.303 20.674 ( 12.213 -7.017 -2.484) 14.303 21.687 ( -0.592 2.110 -1.082) 2.444 21.687 ( 0.592 2.110 -1.082) 2.444 21.727 ( -1.155 -1.804 0.007) 2.142 21.727 ( 1.155 -1.804 0.007) 2.142 28.617 ( -5.679 14.153 -3.163) 15.574 28.617 ( 5.679 14.153 -3.163) 15.574 28.869 ( -5.932 -10.669 -4.610) 13.049 28.869 ( 5.932 -10.669 -4.610) 13.049 29.666 ( -4.311 8.809 2.492) 10.119 29.666 ( 4.311 8.809 2.492) 10.119 29.868 ( -3.634 -10.868 2.403) 11.709 29.868 ( 3.634 -10.868 2.403) 11.709 ======================= Grid point 90 (31/60) ======================= q-point: ( 0.00 0.00 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.67e-09 3.67e-09 3.67e-09 3.67e-09 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.615 ( 0.000 0.000 0.180) 0.180 0.701 ( 0.000 0.000 -1.176) 1.176 0.797 ( 0.000 0.000 10.640) 10.640 1.420 ( 0.000 0.000 25.292) 25.292 1.459 ( 0.000 0.000 15.884) 15.884 1.645 ( 0.000 0.000 11.654) 11.654 1.780 ( 0.000 0.000 3.368) 3.368 2.068 ( 0.000 0.000 -0.841) 0.841 2.138 ( 0.000 0.000 -1.434) 1.434 2.268 ( 0.000 0.000 18.077) 18.077 2.433 ( 0.000 0.000 5.710) 5.710 2.433 ( 0.000 0.000 -11.788) 11.788 2.843 ( 0.000 0.000 -16.635) 16.635 2.972 ( 0.000 0.000 -14.215) 14.215 3.395 ( 0.000 0.000 8.979) 8.979 3.490 ( 0.000 0.000 4.798) 4.798 4.010 ( 0.000 0.000 11.651) 11.651 4.014 ( 0.000 0.000 -34.485) 34.485 4.107 ( 0.000 0.000 15.486) 15.486 4.359 ( 0.000 0.000 -13.627) 13.627 4.363 ( 0.000 0.000 -6.211) 6.211 4.367 ( 0.000 0.000 16.163) 16.163 4.992 ( 0.000 0.000 -2.250) 2.250 5.175 ( 0.000 0.000 8.514) 8.514 5.240 ( 0.000 0.000 12.442) 12.442 5.911 ( 0.000 0.000 4.340) 4.340 5.956 ( 0.000 0.000 -4.252) 4.252 6.054 ( 0.000 0.000 -5.315) 5.315 6.113 ( 0.000 0.000 14.119) 14.119 6.170 ( 0.000 0.000 -3.296) 3.296 6.742 ( 0.000 0.000 -7.432) 7.432 6.971 ( 0.000 0.000 -1.182) 1.182 6.975 ( 0.000 0.000 4.787) 4.787 7.030 ( 0.000 0.000 11.230) 11.230 7.397 ( 0.000 0.000 -7.843) 7.843 7.439 ( 0.000 0.000 -0.165) 0.165 7.523 ( 0.000 0.000 -4.452) 4.452 7.697 ( 0.000 0.000 -0.605) 0.605 7.901 ( 0.000 0.000 -31.408) 31.408 8.049 ( 0.000 0.000 -6.200) 6.200 8.078 ( 0.000 0.000 -6.332) 6.332 8.208 ( 0.000 0.000 11.271) 11.271 8.534 ( 0.000 0.000 -3.378) 3.378 8.581 ( 0.000 0.000 -26.133) 26.133 8.739 ( 0.000 0.000 2.246) 2.246 8.744 ( 0.000 0.000 3.535) 3.535 8.887 ( 0.000 0.000 2.383) 2.383 9.206 ( 0.000 0.000 -16.082) 16.082 9.386 ( 0.000 0.000 10.382) 10.382 9.643 ( 0.000 0.000 7.721) 7.721 9.757 ( 0.000 0.000 5.937) 5.937 9.929 ( 0.000 0.000 13.192) 13.192 9.936 ( 0.000 0.000 -1.515) 1.515 9.985 ( 0.000 0.000 9.471) 9.471 10.002 ( 0.000 0.000 -7.606) 7.606 10.208 ( 0.000 0.000 3.817) 3.817 10.244 ( 0.000 0.000 -4.472) 4.472 10.566 ( 0.000 0.000 -1.679) 1.679 10.726 ( 0.000 0.000 0.411) 0.411 10.746 ( 0.000 0.000 -2.085) 2.085 10.872 ( 0.000 0.000 7.207) 7.207 11.184 ( 0.000 0.000 2.664) 2.664 11.459 ( 0.000 0.000 7.012) 7.012 12.035 ( 0.000 0.000 -7.239) 7.239 15.793 ( 0.000 0.000 2.010) 2.010 15.821 ( 0.000 0.000 1.286) 1.286 19.066 ( 0.000 0.000 21.542) 21.542 20.044 ( 0.000 0.000 -10.161) 10.161 20.131 ( 0.000 0.000 -0.649) 0.649 20.162 ( 0.000 0.000 0.450) 0.450 21.204 ( 0.000 0.000 -3.536) 3.536 21.380 ( 0.000 0.000 -12.461) 12.461 21.415 ( 0.000 0.000 0.444) 0.444 21.572 ( 0.000 0.000 -4.319) 4.319 21.587 ( 0.000 0.000 3.705) 3.705 21.775 ( 0.000 0.000 -1.181) 1.181 27.886 ( 0.000 0.000 6.867) 6.867 27.953 ( 0.000 0.000 -0.537) 0.537 28.717 ( 0.000 0.000 -6.385) 6.385 28.760 ( 0.000 0.000 -8.238) 8.238 29.663 ( 0.000 0.000 1.590) 1.590 30.004 ( 0.000 0.000 -7.772) 7.772 30.230 ( 0.000 0.000 7.485) 7.485 30.374 ( 0.000 0.000 1.931) 1.931 ======================= Grid point 91 (32/60) ======================= q-point: ( 0.25 0.00 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.67e-09 3.67e-09 3.67e-09 3.67e-09 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 70 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.625 ( 0.948 0.000 0.182) 0.965 0.685 ( -1.493 0.000 -0.219) 1.509 1.123 ( 20.499 0.000 15.906) 25.947 1.278 ( 1.090 0.000 15.438) 15.477 1.419 ( 3.113 0.000 3.804) 4.915 1.802 ( 4.964 0.000 15.519) 16.293 2.075 ( 0.656 0.000 -0.845) 1.070 2.110 ( -3.021 0.000 -4.284) 5.242 2.136 ( 4.430 0.000 -8.359) 9.460 2.329 ( 13.565 0.000 0.450) 13.573 2.348 ( -3.796 0.000 -12.602) 13.161 2.490 ( 20.062 0.000 24.806) 31.904 2.680 ( -17.334 0.000 -11.118) 20.593 2.739 ( -15.452 0.000 -0.174) 15.453 3.424 ( 1.662 0.000 6.969) 7.165 3.479 ( -0.917 0.000 5.184) 5.265 3.606 ( -29.110 0.000 -15.743) 33.095 3.623 ( -30.522 0.000 21.803) 37.509 4.364 ( 27.656 0.000 8.450) 28.918 4.417 ( 5.551 0.000 -8.923) 10.509 4.482 ( 12.431 0.000 -17.062) 21.111 4.744 ( 14.302 0.000 -1.282) 14.360 4.794 ( -12.053 0.000 -1.133) 12.106 5.341 ( 4.075 0.000 2.770) 4.927 5.508 ( 14.070 0.000 4.858) 14.885 5.647 ( -14.214 0.000 8.190) 16.404 5.817 ( -6.113 0.000 1.087) 6.209 5.961 ( -4.717 0.000 -5.463) 7.218 6.023 ( -11.427 0.000 18.784) 21.987 6.150 ( -4.773 0.000 2.823) 5.545 6.810 ( 9.720 0.000 -13.100) 16.312 6.976 ( 3.196 0.000 1.361) 3.474 7.122 ( 7.158 0.000 8.494) 11.108 7.175 ( 6.406 0.000 1.160) 6.511 7.399 ( 3.375 0.000 -1.203) 3.583 7.549 ( -1.063 0.000 -5.829) 5.925 7.565 ( -0.462 0.000 -4.323) 4.347 7.700 ( 14.480 0.000 -4.793) 15.253 7.928 ( -3.619 0.000 -11.076) 11.653 7.978 ( -3.969 0.000 -0.855) 4.060 8.146 ( 5.243 0.000 -7.900) 9.482 8.147 ( 0.313 0.000 -1.475) 1.508 8.466 ( -6.536 0.000 -5.543) 8.570 8.521 ( -5.405 0.000 -14.745) 15.705 8.758 ( 1.824 0.000 1.679) 2.479 8.824 ( 6.908 0.000 1.046) 6.987 8.862 ( -1.903 0.000 2.631) 3.247 9.129 ( -6.622 0.000 -11.101) 12.926 9.198 ( -12.798 0.000 1.600) 12.898 9.459 ( -20.099 0.000 -2.108) 20.209 9.796 ( 3.094 0.000 3.452) 4.636 9.834 ( 1.169 0.000 6.328) 6.435 9.904 ( -2.132 0.000 0.969) 2.342 9.978 ( -2.845 0.000 2.987) 4.125 10.036 ( 3.850 0.000 6.578) 7.622 10.184 ( -2.308 0.000 4.111) 4.715 10.374 ( 7.429 0.000 0.776) 7.469 10.552 ( -1.829 0.000 0.308) 1.854 10.695 ( -0.684 0.000 -0.630) 0.930 10.720 ( -0.820 0.000 -0.570) 0.999 11.041 ( 9.382 0.000 7.286) 11.879 11.268 ( 2.336 0.000 9.399) 9.685 11.521 ( 8.958 0.000 -5.246) 10.382 11.962 ( -7.045 0.000 -7.653) 10.402 15.797 ( 0.386 0.000 1.900) 1.939 15.817 ( -0.398 0.000 1.388) 1.444 19.099 ( 4.159 0.000 16.890) 17.394 19.622 ( -21.860 0.000 2.723) 22.029 20.226 ( 8.823 0.000 1.545) 8.957 20.445 ( 7.672 0.000 -6.165) 9.842 21.164 ( -1.153 0.000 -4.029) 4.190 21.334 ( -4.307 0.000 -11.927) 12.681 21.427 ( 1.169 0.000 0.372) 1.227 21.514 ( -2.947 0.000 -0.375) 2.971 21.650 ( 3.377 0.000 -0.258) 3.387 21.758 ( -1.579 0.000 -1.092) 1.920 27.924 ( 4.357 0.000 4.951) 6.595 28.022 ( 3.713 0.000 1.347) 3.950 28.684 ( -2.580 0.000 -7.228) 7.675 28.715 ( -3.526 0.000 -9.116) 9.774 29.700 ( 3.513 0.000 0.605) 3.564 29.927 ( -6.089 0.000 -4.549) 7.601 30.293 ( 4.483 0.000 5.022) 6.731 30.382 ( 0.323 0.000 2.459) 2.480 ======================= Grid point 92 (33/60) ======================= q-point: (-0.50 0.00 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.67e-09 3.67e-09 3.67e-09 3.67e-09 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 55 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.651 ( -1.606 0.000 0.279) 1.630 0.651 ( 1.606 0.000 0.279) 1.630 1.354 ( -8.128 0.000 14.461) 16.588 1.354 ( 8.128 0.000 14.461) 16.588 1.631 ( -15.494 0.000 -1.894) 15.610 1.631 ( 15.494 0.000 -1.894) 15.610 2.085 ( -0.189 0.000 -1.336) 1.349 2.085 ( 0.189 0.000 -1.336) 1.349 2.225 ( -20.497 0.000 -12.463) 23.988 2.225 ( 20.497 0.000 -12.463) 23.988 2.456 ( -12.062 0.000 2.787) 12.380 2.456 ( 12.062 0.000 2.787) 12.380 2.925 ( -15.720 0.000 -0.894) 15.745 2.925 ( 15.720 0.000 -0.894) 15.745 3.042 ( -10.693 0.000 19.807) 22.509 3.042 ( 10.693 0.000 19.807) 22.509 3.455 ( -1.418 0.000 5.860) 6.029 3.455 ( 1.418 0.000 5.860) 6.029 4.567 ( -9.473 0.000 -2.509) 9.800 4.567 ( 9.473 0.000 -2.509) 9.800 4.759 ( -11.303 0.000 -14.858) 18.668 4.759 ( 11.303 0.000 -14.858) 18.668 4.972 ( -29.033 0.000 -1.052) 29.052 4.972 ( 29.033 0.000 -1.052) 29.052 5.684 ( -9.749 0.000 2.404) 10.041 5.684 ( 9.749 0.000 2.404) 10.041 5.749 ( -13.691 0.000 16.602) 21.519 5.749 ( 13.691 0.000 16.602) 21.519 6.023 ( -7.803 0.000 3.019) 8.367 6.023 ( 7.803 0.000 3.019) 8.367 7.047 ( -11.746 0.000 -11.867) 16.697 7.047 ( 11.746 0.000 -11.867) 16.697 7.117 ( -8.186 0.000 3.433) 8.877 7.117 ( 8.186 0.000 3.433) 8.877 7.541 ( -3.755 0.000 -1.790) 4.160 7.541 ( 3.755 0.000 -1.790) 4.160 7.681 ( -16.654 0.000 5.975) 17.694 7.681 ( 16.654 0.000 5.975) 17.694 7.904 ( -4.191 0.000 -3.006) 5.158 7.904 ( 4.191 0.000 -3.006) 5.158 8.291 ( -9.837 0.000 -10.275) 14.225 8.291 ( 9.837 0.000 -10.275) 14.225 8.356 ( -12.172 0.000 -3.079) 12.555 8.356 ( 12.172 0.000 -3.079) 12.555 8.819 ( -3.145 0.000 0.866) 3.262 8.819 ( 3.145 0.000 0.866) 3.262 8.977 ( -7.846 0.000 -3.636) 8.648 8.977 ( 7.846 0.000 -3.636) 8.648 9.099 ( -8.016 0.000 -11.051) 13.652 9.099 ( 8.016 0.000 -11.051) 13.652 9.857 ( -2.667 0.000 1.609) 3.115 9.857 ( 2.667 0.000 1.609) 3.115 9.906 ( -4.153 0.000 6.228) 7.486 9.906 ( 4.153 0.000 6.228) 7.486 10.119 ( -3.983 0.000 5.064) 6.442 10.119 ( 3.983 0.000 5.064) 6.442 10.490 ( -4.240 0.000 1.996) 4.686 10.490 ( 4.240 0.000 1.996) 4.686 10.702 ( -0.883 0.000 -1.405) 1.660 10.702 ( 0.883 0.000 -1.405) 1.660 11.206 ( -6.545 0.000 11.112) 12.896 11.206 ( 6.545 0.000 11.112) 12.896 11.764 ( -12.040 0.000 -9.528) 15.354 11.764 ( 12.040 0.000 -9.528) 15.354 15.807 ( -0.555 0.000 1.640) 1.731 15.807 ( 0.555 0.000 1.640) 1.731 19.267 ( -12.853 0.000 9.633) 16.063 19.267 ( 12.853 0.000 9.633) 16.063 20.417 ( -8.061 0.000 0.426) 8.072 20.417 ( 8.061 0.000 0.426) 8.072 21.223 ( -5.786 0.000 -9.476) 11.103 21.223 ( 5.786 0.000 -9.476) 11.103 21.462 ( -2.188 0.000 0.135) 2.192 21.462 ( 2.188 0.000 0.135) 2.192 21.713 ( -2.781 0.000 -0.813) 2.898 21.713 ( 2.781 0.000 -0.813) 2.898 28.024 ( -3.729 0.000 3.924) 5.413 28.024 ( 3.729 0.000 3.924) 5.413 28.660 ( -1.050 0.000 -9.318) 9.377 28.660 ( 1.050 0.000 -9.318) 9.377 29.799 ( -6.029 0.000 -1.588) 6.235 29.799 ( 6.029 0.000 -1.588) 6.235 30.366 ( -2.231 0.000 3.498) 4.149 30.366 ( 2.231 0.000 3.498) 4.149 ======================= Grid point 95 (34/60) ======================= q-point: ( 0.00 0.11 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.67e-09 3.67e-09 3.67e-09 3.67e-09 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.926 ( 0.000 11.861 10.383) 15.763 1.280 ( 0.000 2.792 29.029) 29.163 1.389 ( 0.000 5.129 11.251) 12.365 1.415 ( 0.000 53.725 -0.710) 53.730 1.465 ( 0.000 37.774 2.543) 37.860 1.781 ( 0.000 -2.055 -13.707) 13.860 2.028 ( 0.000 27.266 14.839) 31.042 2.296 ( 0.000 14.672 -0.217) 14.674 2.324 ( 0.000 3.498 9.711) 10.322 2.476 ( 0.000 21.545 6.474) 22.496 2.490 ( 0.000 5.094 -5.714) 7.655 2.532 ( 0.000 23.477 0.034) 23.477 2.801 ( 0.000 -0.198 -23.752) 23.753 3.108 ( 0.000 14.174 0.352) 14.178 3.936 ( 0.000 2.752 14.422) 14.682 3.941 ( 0.000 -3.414 -18.064) 18.383 4.047 ( 0.000 35.073 8.380) 36.061 4.216 ( 0.000 32.996 -8.546) 34.085 4.243 ( 0.000 14.876 -10.285) 18.085 4.259 ( 0.000 1.207 -3.058) 3.287 4.337 ( 0.000 18.821 3.991) 19.240 4.574 ( 0.000 12.165 -5.000) 13.152 5.063 ( 0.000 8.994 -9.277) 12.921 5.243 ( 0.000 5.060 11.727) 12.772 5.322 ( 0.000 8.635 1.914) 8.845 5.804 ( 0.000 -17.675 0.527) 17.683 5.805 ( 0.000 -8.945 4.988) 10.241 6.016 ( 0.000 7.397 9.708) 12.205 6.066 ( 0.000 -8.625 -4.395) 9.680 6.238 ( 0.000 7.071 -1.143) 7.163 6.697 ( 0.000 -15.748 10.655) 19.014 6.839 ( 0.000 6.575 -8.946) 11.102 7.090 ( 0.000 8.606 -1.347) 8.710 7.259 ( 0.000 12.841 10.888) 16.836 7.318 ( 0.000 -4.687 -2.887) 5.505 7.453 ( 0.000 -6.799 -3.279) 7.548 7.488 ( 0.000 -2.212 0.743) 2.334 7.629 ( 0.000 -2.326 -6.724) 7.115 7.674 ( 0.000 -14.755 -16.700) 22.285 8.096 ( 0.000 1.160 -4.357) 4.508 8.160 ( 0.000 -17.803 -9.867) 20.355 8.196 ( 0.000 -1.109 9.134) 9.201 8.307 ( 0.000 3.263 -16.996) 17.307 8.592 ( 0.000 -3.762 -6.175) 7.231 8.622 ( 0.000 -7.328 -3.605) 8.167 8.750 ( 0.000 -1.352 4.420) 4.623 8.812 ( 0.000 -7.366 1.423) 7.502 9.190 ( 0.000 -1.769 -13.158) 13.276 9.268 ( 0.000 -11.461 7.520) 13.708 9.536 ( 0.000 -5.074 1.225) 5.220 9.626 ( 0.000 -5.434 5.852) 7.986 9.695 ( 0.000 -3.295 2.647) 4.227 9.919 ( 0.000 -1.309 11.901) 11.973 10.139 ( 0.000 -3.427 1.827) 3.883 10.206 ( 0.000 3.924 -6.539) 7.626 10.260 ( 0.000 7.261 1.281) 7.374 10.381 ( 0.000 11.859 2.296) 12.079 10.608 ( 0.000 0.871 0.228) 0.900 10.702 ( 0.000 -4.279 -1.733) 4.616 10.704 ( 0.000 -2.107 -1.763) 2.747 10.935 ( 0.000 8.603 8.455) 12.062 11.069 ( 0.000 -11.102 3.852) 11.751 11.418 ( 0.000 -3.693 5.401) 6.543 11.850 ( 0.000 -16.103 -4.995) 16.860 15.951 ( 0.000 15.932 0.250) 15.934 16.243 ( 0.000 36.119 -17.445) 40.111 19.058 ( 0.000 -1.110 20.064) 20.095 19.913 ( 0.000 -15.046 -7.056) 16.618 20.120 ( 0.000 -0.332 0.447) 0.557 20.159 ( 0.000 -0.316 0.442) 0.544 21.183 ( 0.000 -2.401 -3.912) 4.590 21.244 ( 0.000 -10.776 -0.814) 10.807 21.492 ( 0.000 -4.035 2.474) 4.733 21.526 ( 0.000 6.414 -5.214) 8.266 21.617 ( 0.000 3.473 -3.739) 5.103 21.723 ( 0.000 -3.807 -2.753) 4.698 27.974 ( 0.000 7.505 3.713) 8.374 28.004 ( 0.000 5.355 -1.246) 5.498 28.731 ( 0.000 1.802 -5.536) 5.822 28.787 ( 0.000 2.843 -8.222) 8.700 29.639 ( 0.000 -2.590 2.137) 3.358 29.970 ( 0.000 -3.616 -7.517) 8.341 30.201 ( 0.000 -3.009 7.434) 8.020 30.344 ( 0.000 -2.955 2.080) 3.613 ======================= Grid point 96 (35/60) ======================= q-point: ( 0.25 0.11 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.67e-09 3.67e-09 3.67e-09 3.67e-09 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.133 ( 6.136 1.978 12.838) 14.366 1.236 ( 7.907 8.204 4.937) 12.418 1.393 ( 0.151 37.467 5.547) 37.876 1.415 ( 1.051 53.041 2.183) 53.096 1.562 ( 7.688 12.621 9.781) 17.722 1.934 ( 11.322 8.118 7.395) 15.772 2.089 ( -11.875 5.838 -6.815) 14.885 2.257 ( 14.886 -2.193 -10.127) 18.138 2.346 ( -2.563 -0.835 6.742) 7.261 2.389 ( -1.659 22.362 -2.003) 22.513 2.477 ( -1.880 26.170 -3.137) 26.424 2.620 ( 2.000 10.917 9.304) 14.483 2.757 ( 1.751 10.620 -9.324) 14.240 2.932 ( -13.342 20.942 9.409) 26.554 3.510 ( -26.651 -6.183 -13.622) 30.562 3.635 ( -23.647 6.065 13.796) 28.041 4.120 ( 0.196 55.383 2.809) 55.455 4.226 ( -2.994 48.496 -5.414) 48.889 4.251 ( 15.283 -4.729 -12.978) 20.600 4.467 ( 7.284 6.562 5.861) 11.422 4.643 ( 21.493 6.469 -9.471) 24.362 4.657 ( 6.127 -0.245 0.972) 6.208 4.915 ( -8.948 10.576 -11.318) 17.889 5.329 ( -4.967 -0.631 -3.382) 6.042 5.528 ( 13.673 2.385 11.318) 17.909 5.722 ( -1.190 0.084 7.108) 7.207 5.772 ( -6.876 -2.355 8.111) 10.891 5.817 ( -4.987 -3.860 0.757) 6.352 6.041 ( -9.436 2.938 6.925) 12.068 6.188 ( -0.337 0.273 -1.008) 1.097 6.764 ( 4.027 -4.080 -7.826) 9.701 6.918 ( 9.187 -8.273 8.398) 14.945 7.095 ( 2.733 4.930 1.536) 5.842 7.228 ( -8.742 -1.693 -5.061) 10.242 7.404 ( 9.433 1.805 1.658) 9.746 7.476 ( -2.967 -8.269 -3.553) 9.477 7.538 ( 4.427 -2.645 0.979) 5.249 7.674 ( 6.010 -6.252 -8.468) 12.121 7.752 ( 2.626 -8.671 -3.096) 9.575 7.972 ( -9.057 -0.502 4.320) 10.047 8.082 ( 4.566 -9.461 -5.292) 11.763 8.252 ( 2.103 -2.553 -3.129) 4.553 8.360 ( 0.307 7.513 -14.133) 16.009 8.591 ( 0.199 1.080 -12.018) 12.068 8.680 ( 3.516 -7.159 -1.096) 8.050 8.767 ( 1.285 -6.422 4.060) 7.706 8.832 ( 3.983 -2.958 0.990) 5.059 9.108 ( -7.424 -1.352 -8.606) 11.445 9.196 ( -7.098 -6.972 1.434) 10.052 9.346 ( -17.892 -4.835 -0.444) 18.539 9.566 ( 0.757 -6.952 0.605) 7.019 9.654 ( -6.509 -4.046 0.888) 7.715 9.954 ( 2.927 -3.033 10.952) 11.735 10.083 ( -2.259 0.777 1.127) 2.641 10.194 ( -0.188 2.206 0.364) 2.244 10.254 ( -0.847 7.730 2.797) 8.264 10.439 ( 4.691 4.490 1.402) 6.643 10.590 ( -1.828 2.340 0.373) 2.993 10.693 ( 0.225 1.274 -1.207) 1.769 10.716 ( -0.354 -0.749 -1.973) 2.140 11.017 ( 5.727 -1.326 8.220) 10.105 11.140 ( 2.791 -11.652 8.558) 14.724 11.483 ( 7.315 -3.659 -2.052) 8.432 11.803 ( -4.636 -13.731 -5.602) 15.538 15.976 ( 2.550 17.772 -0.867) 17.975 16.174 ( -5.819 31.638 -12.067) 34.358 19.083 ( 3.343 -1.990 15.731) 16.205 19.549 ( -20.007 -8.106 3.248) 21.830 20.227 ( 9.340 0.056 1.720) 9.497 20.430 ( 9.941 -1.662 -5.294) 11.385 21.096 ( -3.306 -7.029 -0.707) 7.800 21.238 ( -2.865 -7.235 -5.636) 9.608 21.521 ( 0.838 3.653 -2.931) 4.758 21.525 ( 0.825 1.906 -0.308) 2.100 21.626 ( 1.137 1.229 -3.191) 3.604 21.703 ( -1.678 -4.155 -2.746) 5.256 27.977 ( 2.551 5.080 3.104) 6.477 28.068 ( 2.513 4.438 0.657) 5.142 28.697 ( -2.375 1.742 -6.556) 7.188 28.745 ( -3.498 3.106 -8.776) 9.945 29.674 ( 3.370 -2.701 1.150) 4.469 29.895 ( -5.952 -3.394 -4.357) 8.119 30.265 ( 4.595 -2.858 5.083) 7.425 30.353 ( 0.425 -2.869 2.597) 3.893 ======================= Grid point 97 (36/60) ======================= q-point: (-0.50 0.11 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.67e-09 3.67e-09 3.67e-09 3.67e-09 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 95 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.254 ( -6.248 7.398 4.709) 10.768 1.254 ( 6.248 7.398 4.709) 10.768 1.416 ( -2.345 42.640 0.686) 42.710 1.416 ( 2.345 42.640 0.686) 42.710 1.814 ( -13.887 6.770 0.326) 15.453 1.814 ( 13.887 6.770 0.326) 15.453 2.225 ( -16.219 11.862 4.564) 20.605 2.225 ( 16.219 11.862 4.564) 20.605 2.351 ( -8.599 6.382 -3.456) 11.252 2.351 ( 8.599 6.382 -3.456) 11.252 2.535 ( -2.906 14.927 2.801) 15.463 2.535 ( 2.906 14.927 2.801) 15.463 2.915 ( -19.116 2.143 -7.919) 20.802 2.915 ( 19.116 2.143 -7.919) 20.802 3.173 ( -17.915 14.894 14.422) 27.400 3.173 ( 17.915 14.894 14.422) 27.400 4.156 ( -3.150 54.024 -0.301) 54.116 4.156 ( 3.150 54.024 -0.301) 54.116 4.572 ( -2.448 -2.285 -6.799) 7.579 4.572 ( 2.448 -2.285 -6.799) 7.579 4.673 ( -10.538 -2.906 -13.603) 17.451 4.673 ( 10.538 -2.906 -13.603) 17.451 5.108 ( -19.779 12.252 4.223) 23.646 5.108 ( 19.779 12.252 4.223) 23.646 5.549 ( -4.161 -6.187 6.353) 9.795 5.549 ( 4.161 -6.187 6.353) 9.795 5.868 ( -5.428 5.551 10.453) 13.021 5.868 ( 5.428 5.551 10.453) 13.021 6.040 ( -12.592 2.342 1.304) 12.874 6.040 ( 12.592 2.342 1.304) 12.874 6.930 ( -10.346 -9.631 -8.367) 16.426 6.930 ( 10.346 -9.631 -8.367) 16.426 7.144 ( -1.837 1.789 1.860) 3.168 7.144 ( 1.837 1.789 1.860) 3.168 7.465 ( -4.456 -7.325 -0.906) 8.622 7.465 ( 4.456 -7.325 -0.906) 8.622 7.633 ( -3.467 -9.468 5.478) 11.475 7.633 ( 3.467 -9.468 5.478) 11.475 7.837 ( -7.950 -1.133 -0.836) 8.074 7.837 ( 7.950 -1.133 -0.836) 8.074 8.235 ( -7.186 -2.424 -4.609) 8.875 8.235 ( 7.186 -2.424 -4.609) 8.875 8.492 ( -13.098 8.028 -8.860) 17.735 8.492 ( 13.098 8.028 -8.860) 17.735 8.749 ( -3.088 -6.432 -0.734) 7.173 8.749 ( 3.088 -6.432 -0.734) 7.173 8.967 ( -5.692 -3.695 -6.951) 9.715 8.967 ( 5.692 -3.695 -6.951) 9.715 9.077 ( -5.908 -1.055 -2.339) 6.441 9.077 ( 5.908 -1.055 -2.339) 6.441 9.574 ( -1.479 -8.957 -1.313) 9.172 9.574 ( 1.479 -8.957 -1.313) 9.172 10.026 ( -3.738 -2.050 7.395) 8.536 10.026 ( 3.738 -2.050 7.395) 8.536 10.221 ( -2.232 5.337 2.194) 6.187 10.221 ( 2.232 5.337 2.194) 6.187 10.532 ( -3.951 3.640 0.721) 5.421 10.532 ( 3.951 3.640 0.721) 5.421 10.704 ( -0.682 1.110 -1.159) 1.744 10.704 ( 0.682 1.110 -1.159) 1.744 11.118 ( -3.812 -8.797 10.260) 14.042 11.118 ( 3.812 -8.797 10.260) 14.042 11.666 ( -8.763 -8.357 -6.533) 13.759 11.666 ( 8.763 -8.357 -6.533) 13.759 16.055 ( -5.174 23.434 -4.704) 24.455 16.055 ( 5.174 23.434 -4.704) 24.455 19.228 ( -11.412 -4.357 9.149) 15.262 19.228 ( 11.412 -4.357 9.149) 15.262 20.426 ( -8.113 0.919 0.729) 8.198 20.426 ( 8.113 0.919 0.729) 8.198 21.138 ( -5.767 -7.955 -5.688) 11.352 21.138 ( 5.767 -7.955 -5.688) 11.352 21.531 ( -0.527 5.128 -1.771) 5.450 21.531 ( 0.527 5.128 -1.771) 5.450 21.663 ( -2.154 -3.422 -2.655) 4.837 21.663 ( 2.154 -3.422 -2.655) 4.837 28.054 ( -3.593 3.211 2.815) 5.580 28.054 ( 3.593 3.211 2.815) 5.580 28.684 ( -1.593 2.635 -8.638) 9.171 28.684 ( 1.593 2.635 -8.638) 9.171 29.769 ( -5.857 -3.011 -1.224) 6.698 29.769 ( 5.857 -3.011 -1.224) 6.698 30.339 ( -2.198 -2.740 3.616) 5.041 30.339 ( 2.198 -2.740 3.616) 5.041 ======================= Grid point 100 (37/60) ======================= q-point: ( 0.00 0.22 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.67e-09 3.67e-09 3.67e-09 3.67e-09 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.130 ( 0.000 -5.635 18.173) 19.026 1.182 ( 0.000 13.584 10.608) 17.235 1.594 ( 0.000 18.014 -9.598) 20.412 1.684 ( 0.000 -6.867 -13.196) 14.875 2.126 ( 0.000 -10.246 19.368) 21.911 2.402 ( 0.000 41.968 -0.544) 41.972 2.414 ( 0.000 23.846 2.560) 23.983 2.475 ( 0.000 9.783 -1.467) 9.892 2.508 ( 0.000 25.706 6.232) 26.451 2.641 ( 0.000 -9.254 -23.328) 25.097 2.737 ( 0.000 24.570 15.497) 29.049 3.029 ( 0.000 21.235 -3.853) 21.581 3.145 ( 0.000 30.813 -6.386) 31.468 3.541 ( 0.000 25.359 1.737) 25.419 3.914 ( 0.000 -7.100 -7.262) 10.156 3.988 ( 0.000 9.050 6.209) 10.975 4.067 ( 0.000 1.096 7.466) 7.546 4.273 ( 0.000 1.673 3.827) 4.177 4.377 ( 0.000 12.672 -12.227) 17.609 4.719 ( 0.000 3.753 -0.408) 3.776 4.972 ( 0.000 16.474 -11.902) 20.324 5.066 ( 0.000 25.211 -8.482) 26.599 5.234 ( 0.000 -17.804 -0.851) 17.824 5.276 ( 0.000 5.699 -26.371) 26.980 5.547 ( 0.000 15.738 14.551) 21.434 5.682 ( 0.000 -6.204 -6.496) 8.983 5.701 ( 0.000 24.398 12.042) 27.208 6.016 ( 0.000 10.285 0.656) 10.306 6.271 ( 0.000 17.397 11.467) 20.837 6.388 ( 0.000 -5.094 6.752) 8.458 6.449 ( 0.000 7.806 6.749) 10.319 6.890 ( 0.000 -2.478 -12.216) 12.465 7.149 ( 0.000 -16.482 2.070) 16.612 7.203 ( 0.000 -2.665 2.790) 3.858 7.266 ( 0.000 -2.685 -4.346) 5.109 7.382 ( 0.000 -9.361 -1.089) 9.424 7.456 ( 0.000 -1.886 0.560) 1.967 7.506 ( 0.000 9.601 6.074) 11.361 7.667 ( 0.000 -21.582 -9.906) 23.747 7.669 ( 0.000 5.343 -7.269) 9.021 8.087 ( 0.000 -1.999 2.265) 3.021 8.175 ( 0.000 -1.004 3.198) 3.351 8.367 ( 0.000 -12.318 0.440) 12.326 8.467 ( 0.000 1.521 -8.288) 8.427 8.544 ( 0.000 -5.121 -9.693) 10.962 8.624 ( 0.000 -11.407 0.692) 11.428 8.751 ( 0.000 4.269 -2.020) 4.723 9.059 ( 0.000 -8.305 3.609) 9.055 9.140 ( 0.000 -3.348 -10.424) 10.949 9.503 ( 0.000 -6.792 8.738) 11.067 9.550 ( 0.000 4.097 -3.380) 5.312 9.712 ( 0.000 2.731 1.007) 2.910 9.880 ( 0.000 -3.828 9.933) 10.645 10.064 ( 0.000 -5.494 2.246) 5.935 10.167 ( 0.000 -6.611 -1.297) 6.737 10.235 ( 0.000 -9.782 1.967) 9.978 10.476 ( 0.000 1.887 -5.131) 5.467 10.503 ( 0.000 -7.556 0.197) 7.559 10.684 ( 0.000 1.441 -4.766) 4.979 10.712 ( 0.000 -8.677 -1.242) 8.765 10.904 ( 0.000 3.986 5.514) 6.804 11.076 ( 0.000 3.425 10.563) 11.105 11.341 ( 0.000 -3.839 3.872) 5.452 11.531 ( 0.000 -14.687 -9.272) 17.369 16.379 ( 0.000 27.170 -3.159) 27.353 16.963 ( 0.000 35.136 -31.690) 47.316 18.999 ( 0.000 -5.741 14.568) 15.658 19.464 ( 0.000 -29.706 -0.001) 29.706 20.119 ( 0.000 0.141 0.198) 0.243 20.151 ( 0.000 -0.435 0.409) 0.597 21.046 ( 0.000 -7.726 2.142) 8.018 21.095 ( 0.000 -6.721 -5.993) 9.005 21.495 ( 0.000 3.473 1.245) 3.690 21.604 ( 0.000 -2.136 -2.959) 3.650 21.641 ( 0.000 4.830 -4.255) 6.438 21.757 ( 0.000 5.237 -2.952) 6.011 28.127 ( 0.000 7.884 0.705) 7.915 28.157 ( 0.000 10.120 -3.279) 10.638 28.803 ( 0.000 5.893 -3.186) 6.699 28.872 ( 0.000 6.028 -7.488) 9.613 29.562 ( 0.000 -5.253 2.960) 6.029 29.861 ( 0.000 -7.600 -6.844) 10.228 30.114 ( 0.000 -5.876 7.165) 9.266 30.261 ( 0.000 -5.677 1.578) 5.892 ======================= Grid point 101 (38/60) ======================= q-point: ( 0.25 0.22 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.67e-09 3.67e-09 3.67e-09 3.67e-09 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.190 ( 5.792 6.446 -3.254) 9.257 1.372 ( 11.609 -1.336 24.169) 26.846 1.559 ( 5.753 14.687 -5.785) 16.801 1.977 ( 1.650 0.464 -5.794) 6.043 2.071 ( 3.632 -6.917 -4.920) 9.233 2.154 ( -4.539 -12.400 15.352) 20.249 2.319 ( -7.775 19.982 1.304) 21.481 2.425 ( -0.101 42.220 -0.468) 42.222 2.487 ( 0.077 36.310 -1.850) 36.358 2.747 ( -0.993 9.508 -1.654) 9.701 2.846 ( 1.221 5.799 0.121) 5.927 2.908 ( -9.392 16.103 -1.961) 18.745 3.149 ( 1.976 30.183 -3.912) 30.500 3.501 ( -2.010 26.058 3.186) 26.329 3.570 ( -20.634 21.633 4.935) 30.300 3.850 ( -13.198 13.447 1.188) 18.879 4.016 ( 8.501 -11.165 -15.355) 20.802 4.470 ( 3.746 -4.482 -6.196) 8.515 4.615 ( 5.349 0.988 4.385) 6.987 4.701 ( 4.411 5.716 -3.164) 7.882 4.895 ( -6.051 6.191 -9.693) 12.996 5.121 ( 5.449 20.480 -9.283) 23.137 5.179 ( 5.968 14.303 0.517) 15.507 5.408 ( 4.955 11.672 -9.416) 15.794 5.586 ( -2.378 0.942 -0.044) 2.558 5.750 ( 1.974 2.130 5.675) 6.375 5.804 ( 15.236 24.276 7.557) 29.641 6.008 ( -8.189 15.144 8.029) 18.996 6.104 ( -6.454 7.465 9.478) 13.682 6.296 ( -5.772 10.409 -3.135) 12.308 6.586 ( 10.774 -8.749 10.531) 17.422 6.825 ( -5.693 -4.566 -9.405) 11.904 7.099 ( -2.763 -11.612 -0.210) 11.938 7.186 ( -0.097 0.663 2.222) 2.321 7.260 ( -1.470 -11.604 -2.300) 11.921 7.381 ( -5.933 -13.010 0.287) 14.302 7.415 ( -2.376 -0.405 -1.140) 2.667 7.518 ( 2.800 -3.605 -4.607) 6.485 7.693 ( 7.119 1.812 2.479) 7.753 7.930 ( 12.061 -1.238 -2.559) 12.391 7.973 ( -1.754 0.441 1.645) 2.445 8.218 ( 3.510 -3.019 -1.196) 4.782 8.419 ( 1.558 -7.763 -1.669) 8.091 8.549 ( 3.230 -4.381 -5.500) 7.738 8.600 ( -1.306 -8.343 0.901) 8.492 8.603 ( 7.310 0.245 -13.007) 14.922 8.747 ( 3.378 -5.071 4.034) 7.307 9.013 ( -8.127 -5.547 2.132) 10.068 9.077 ( -6.400 -2.577 -6.907) 9.763 9.340 ( -10.195 -0.146 2.631) 10.530 9.524 ( -3.382 2.207 -5.155) 6.549 9.677 ( -3.422 3.356 -0.816) 4.862 9.895 ( 1.245 -2.747 9.713) 10.171 10.045 ( -2.442 -3.609 1.627) 4.651 10.119 ( -2.094 -10.018 -1.490) 10.342 10.195 ( -2.799 -11.762 2.450) 12.337 10.518 ( 5.296 4.608 -2.415) 7.424 10.552 ( 2.654 -7.171 0.679) 7.676 10.692 ( 0.435 0.500 -3.801) 3.859 10.746 ( 3.677 -5.665 -1.060) 6.837 10.857 ( -3.319 -4.038 5.990) 7.950 11.084 ( -4.691 2.271 4.645) 6.981 11.375 ( 6.475 -7.414 3.438) 10.427 11.557 ( 0.771 -9.505 -5.732) 11.126 16.437 ( 5.717 28.323 -5.566) 29.425 16.840 ( -10.688 34.188 -24.630) 43.471 19.000 ( 1.040 -7.327 11.448) 13.631 19.279 ( -12.427 -20.077 3.571) 23.880 20.227 ( 10.514 0.062 1.758) 10.661 20.383 ( 13.852 -2.790 -3.210) 14.491 20.940 ( -6.535 -7.102 2.140) 9.886 21.075 ( -4.095 -9.448 -5.828) 11.832 21.519 ( 2.189 1.842 -0.732) 2.953 21.603 ( -0.726 -1.294 -4.128) 4.386 21.646 ( 0.961 4.418 -2.699) 5.265 21.733 ( -2.122 5.050 -2.731) 6.120 28.109 ( 0.359 8.227 0.497) 8.250 28.184 ( 0.298 7.609 -1.547) 7.771 28.764 ( -2.205 5.216 -4.618) 7.308 28.836 ( -3.427 6.099 -7.756) 10.444 29.598 ( 3.348 -4.854 2.052) 6.243 29.797 ( -5.107 -6.479 -3.894) 9.122 30.182 ( 4.863 -5.793 5.099) 9.121 30.271 ( 0.534 -5.677 2.305) 6.150 ======================= Grid point 102 (39/60) ======================= q-point: (-0.50 0.22 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.67e-09 3.67e-09 3.67e-09 3.67e-09 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 95 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.383 ( -12.644 10.840 -4.753) 17.320 1.383 ( 12.644 10.840 -4.753) 17.320 1.716 ( -14.523 -6.380 13.731) 20.980 1.716 ( 14.523 -6.380 13.731) 20.980 2.195 ( -8.533 0.419 -0.241) 8.547 2.195 ( 8.533 0.419 -0.241) 8.547 2.429 ( -4.395 28.815 -1.185) 29.173 2.429 ( 4.395 28.815 -1.185) 29.173 2.553 ( -16.115 12.562 -1.616) 20.496 2.553 ( 16.115 12.562 -1.616) 20.496 2.771 ( -4.185 11.792 -1.038) 12.556 2.771 ( 4.185 11.792 -1.038) 12.556 3.266 ( -9.014 28.498 1.213) 29.914 3.266 ( 9.014 28.498 1.213) 29.914 3.588 ( -10.353 25.386 3.283) 27.612 3.588 ( 10.353 25.386 3.283) 27.612 4.311 ( -16.660 -16.854 -16.902) 29.108 4.311 ( 16.660 -16.854 -16.902) 29.108 4.646 ( -4.975 4.764 -6.518) 9.483 4.646 ( 4.975 4.764 -6.518) 9.483 5.048 ( -9.133 16.749 2.311) 19.217 5.048 ( 9.133 16.749 2.311) 19.217 5.453 ( -11.293 18.352 1.866) 21.629 5.453 ( 11.293 18.352 1.866) 21.629 5.566 ( -13.612 12.353 3.673) 18.745 5.566 ( 13.612 12.353 3.673) 18.745 5.963 ( -5.736 4.841 3.926) 8.471 5.963 ( 5.736 4.841 3.926) 8.471 6.159 ( -13.880 13.396 6.472) 20.347 6.159 ( 13.880 13.396 6.472) 20.347 6.726 ( -5.119 -10.548 -6.330) 13.324 6.726 ( 5.119 -10.548 -6.330) 13.324 7.173 ( -7.854 -6.584 6.135) 11.945 7.173 ( 7.854 -6.584 6.135) 11.945 7.229 ( -3.250 -9.756 -4.279) 11.138 7.229 ( 3.250 -9.756 -4.279) 11.138 7.447 ( -4.731 -4.471 0.311) 6.517 7.447 ( 4.731 -4.471 0.311) 6.517 7.873 ( -7.350 3.339 0.738) 8.106 7.873 ( 7.350 3.339 0.738) 8.106 8.184 ( -6.611 -3.730 0.081) 7.591 8.184 ( 6.611 -3.730 0.081) 7.591 8.537 ( -4.506 -6.159 2.357) 7.987 8.537 ( 4.506 -6.159 2.357) 7.987 8.660 ( -11.280 0.028 -13.576) 17.650 8.660 ( 11.280 0.028 -13.576) 17.650 8.818 ( -5.740 -8.266 0.672) 10.086 8.818 ( 5.740 -8.266 0.672) 10.086 9.081 ( -13.033 -0.177 2.863) 13.345 9.081 ( 13.033 -0.177 2.863) 13.345 9.562 ( -6.816 5.552 -8.296) 12.088 9.562 ( 6.816 5.552 -8.296) 12.088 9.964 ( -5.025 -3.604 5.389) 8.202 9.964 ( 5.025 -3.604 5.389) 8.202 10.138 ( -2.707 -12.637 1.415) 13.001 10.138 ( 2.707 -12.637 1.415) 13.001 10.582 ( -1.091 -0.548 -1.124) 1.660 10.582 ( 1.091 -0.548 -1.124) 1.660 10.741 ( -4.397 1.696 0.302) 4.723 10.741 ( 4.397 1.696 0.302) 4.723 10.917 ( -9.150 -8.717 3.206) 13.037 10.917 ( 9.150 -8.717 3.206) 13.037 11.517 ( -5.147 -6.430 -0.876) 8.283 11.517 ( 5.147 -6.430 -0.876) 8.283 16.607 ( -10.833 31.292 -12.991) 35.571 16.607 ( 10.833 31.292 -12.991) 35.571 19.076 ( -6.956 -11.866 6.916) 15.395 19.076 ( 6.956 -11.866 6.916) 15.395 20.450 ( -8.186 1.547 1.262) 8.426 20.450 ( 8.186 1.547 1.262) 8.426 20.941 ( -7.121 -11.327 -3.869) 13.927 20.941 ( 7.121 -11.327 -3.869) 13.927 21.569 ( -2.357 -0.031 -3.517) 4.234 21.569 ( 2.357 -0.031 -3.517) 4.234 21.684 ( -2.436 4.381 -2.264) 5.500 21.684 ( 2.436 4.381 -2.264) 5.500 28.150 ( -2.962 6.735 0.299) 7.363 28.150 ( 2.962 6.735 0.299) 7.363 28.766 ( -2.467 5.533 -7.080) 9.318 28.766 ( 2.467 5.533 -7.080) 9.318 29.687 ( -5.268 -5.052 -0.514) 7.316 29.687 ( 5.268 -5.052 -0.514) 7.316 30.259 ( -2.204 -5.624 3.594) 7.028 30.259 ( 2.204 -5.624 3.594) 7.028 ======================= Grid point 105 (40/60) ======================= q-point: ( 0.00 0.33 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.67e-09 3.67e-09 3.67e-09 3.67e-09 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.148 ( 0.000 5.890 -15.498) 16.580 1.437 ( 0.000 10.893 6.409) 12.639 1.579 ( 0.000 -0.386 -9.398) 9.406 1.803 ( 0.000 -11.012 14.272) 18.027 2.103 ( 0.000 24.512 -9.413) 26.257 2.358 ( 0.000 -15.265 -19.984) 25.147 2.432 ( 0.000 -2.099 4.023) 4.538 2.546 ( 0.000 2.561 3.406) 4.261 2.987 ( 0.000 3.506 9.653) 10.270 3.149 ( 0.000 11.790 -1.002) 11.833 3.238 ( 0.000 1.177 -5.889) 6.005 3.307 ( 0.000 22.633 5.802) 23.365 3.482 ( 0.000 26.986 -9.308) 28.547 3.949 ( 0.000 9.444 6.361) 11.386 3.964 ( 0.000 17.692 2.647) 17.889 4.109 ( 0.000 5.008 -2.893) 5.784 4.266 ( 0.000 14.142 15.016) 20.627 4.412 ( 0.000 7.606 -1.019) 7.674 4.545 ( 0.000 2.003 -11.769) 11.938 4.707 ( 0.000 -5.375 -11.135) 12.365 4.875 ( 0.000 -12.860 -3.644) 13.367 4.996 ( 0.000 1.525 -3.116) 3.469 5.428 ( 0.000 18.449 -12.331) 22.191 5.467 ( 0.000 10.107 -11.419) 15.250 5.758 ( 0.000 13.672 -13.957) 19.538 5.820 ( 0.000 10.984 11.238) 15.714 5.900 ( 0.000 -13.224 10.778) 17.060 6.152 ( 0.000 12.057 12.795) 17.580 6.444 ( 0.000 -3.415 3.405) 4.823 6.529 ( 0.000 7.271 -0.658) 7.301 6.677 ( 0.000 7.891 2.353) 8.234 6.803 ( 0.000 -9.552 -7.413) 12.091 6.974 ( 0.000 3.128 -6.648) 7.347 7.008 ( 0.000 -7.582 6.864) 10.228 7.215 ( 0.000 -10.821 -9.805) 14.602 7.231 ( 0.000 -0.694 1.539) 1.688 7.459 ( 0.000 3.000 -0.379) 3.024 7.499 ( 0.000 6.388 2.488) 6.855 7.715 ( 0.000 11.167 10.932) 15.628 7.813 ( 0.000 8.149 -1.035) 8.215 8.036 ( 0.000 -4.269 4.362) 6.104 8.136 ( 0.000 -10.570 0.237) 10.573 8.225 ( 0.000 9.239 -0.008) 9.239 8.364 ( 0.000 -10.251 0.026) 10.251 8.401 ( 0.000 -8.978 2.359) 9.282 8.428 ( 0.000 -6.202 -8.556) 10.568 8.898 ( 0.000 8.198 -7.338) 11.002 8.922 ( 0.000 -7.928 2.941) 8.456 9.079 ( 0.000 -1.956 -7.666) 7.912 9.359 ( 0.000 -7.754 12.223) 14.475 9.649 ( 0.000 5.145 -4.806) 7.041 9.685 ( 0.000 -17.360 5.318) 18.156 9.758 ( 0.000 1.362 -0.640) 1.505 9.800 ( 0.000 -20.819 2.762) 21.001 10.041 ( 0.000 -4.237 4.558) 6.223 10.088 ( 0.000 -3.687 3.489) 5.076 10.412 ( 0.000 -1.688 -2.026) 2.637 10.453 ( 0.000 -4.930 -3.220) 5.888 10.592 ( 0.000 2.088 -7.292) 7.585 10.747 ( 0.000 5.877 -9.165) 10.888 11.020 ( 0.000 4.164 -0.456) 4.189 11.070 ( 0.000 -2.917 9.263) 9.711 11.268 ( 0.000 -4.305 3.103) 5.307 11.297 ( 0.000 -10.582 -12.234) 16.176 16.957 ( 0.000 31.447 -5.396) 31.906 17.573 ( 0.000 28.127 -30.112) 41.205 18.815 ( 0.000 -13.389 3.429) 13.821 18.837 ( 0.000 -33.554 -0.177) 33.555 20.123 ( 0.000 0.205 0.158) 0.259 20.142 ( 0.000 -0.435 0.301) 0.529 20.942 ( 0.000 -3.649 1.968) 4.146 20.957 ( 0.000 -6.258 -6.207) 8.815 21.595 ( 0.000 6.292 1.532) 6.476 21.606 ( 0.000 1.954 -1.417) 2.413 21.703 ( 0.000 1.568 -2.437) 2.898 21.833 ( 0.000 1.917 -1.389) 2.367 28.286 ( 0.000 8.776 -0.840) 8.816 28.371 ( 0.000 10.900 -5.779) 12.337 28.951 ( 0.000 8.685 -0.601) 8.706 29.009 ( 0.000 7.141 -4.536) 8.460 29.456 ( 0.000 -4.481 2.014) 4.912 29.686 ( 0.000 -9.882 -5.683) 11.400 29.981 ( 0.000 -7.397 6.312) 9.724 30.122 ( 0.000 -8.669 0.451) 8.681 ======================= Grid point 106 (41/60) ======================= q-point: ( 0.25 0.33 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.67e-09 3.67e-09 3.67e-09 3.67e-09 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.345 ( 17.280 7.842 -16.950) 25.444 1.366 ( 0.166 2.406 12.838) 13.062 1.758 ( -4.492 -17.185 18.897) 25.935 1.916 ( 11.942 14.596 -10.723) 21.694 2.003 ( -7.160 0.911 -8.858) 11.426 2.111 ( 0.248 10.671 -2.973) 11.080 2.437 ( -8.156 1.824 -4.639) 9.559 2.605 ( -1.504 -7.774 -7.662) 11.018 2.928 ( -12.364 1.410 7.004) 14.280 3.034 ( -0.106 4.360 5.359) 6.910 3.182 ( -3.254 0.282 -5.139) 6.090 3.271 ( -2.163 28.006 1.334) 28.121 3.492 ( 2.560 22.835 -9.648) 24.921 3.906 ( -0.785 8.522 2.981) 9.062 3.931 ( -9.712 17.509 -3.944) 20.406 4.079 ( 2.096 16.065 2.962) 16.470 4.210 ( -5.786 19.107 6.256) 20.921 4.299 ( -8.152 -2.842 -10.260) 13.408 4.577 ( 2.278 -5.672 -0.466) 6.130 4.802 ( 2.376 -1.006 -2.263) 3.432 4.961 ( 15.613 8.395 3.885) 18.148 5.182 ( 5.667 0.709 -13.463) 14.625 5.380 ( 6.786 5.303 -10.779) 13.797 5.641 ( 2.136 9.860 -4.127) 10.900 5.728 ( 4.124 8.199 5.648) 10.776 5.833 ( 4.417 7.160 -9.190) 12.459 6.101 ( 8.853 -5.949 7.498) 13.038 6.184 ( -3.719 6.150 11.057) 13.187 6.297 ( -1.008 8.210 11.628) 14.269 6.472 ( -8.402 13.603 -7.053) 17.475 6.644 ( -1.917 -2.649 -4.062) 5.214 6.783 ( -1.832 5.941 3.440) 7.105 6.837 ( -6.586 -10.941 -5.586) 13.939 6.999 ( -3.747 -9.091 2.070) 10.049 7.091 ( -2.287 -6.617 -0.245) 7.006 7.283 ( -2.891 -2.685 -4.080) 5.675 7.448 ( -0.906 4.325 -0.456) 4.442 7.577 ( 5.152 11.345 2.344) 12.679 7.834 ( 9.840 8.896 5.418) 14.329 7.959 ( -2.036 1.388 0.234) 2.475 7.988 ( 8.309 0.694 3.885) 9.199 8.140 ( -3.344 -1.887 -0.452) 3.866 8.231 ( 7.845 -7.760 -0.778) 11.062 8.375 ( -0.265 -10.674 -3.003) 11.092 8.498 ( 7.569 -3.147 -2.730) 8.640 8.537 ( 11.562 -6.173 1.748) 13.223 8.698 ( -9.369 -1.081 4.748) 10.559 8.960 ( -5.490 -2.361 1.243) 6.104 9.041 ( -7.647 0.082 -3.201) 8.291 9.303 ( -5.827 -3.974 5.383) 8.872 9.593 ( -3.365 0.930 -8.108) 8.828 9.681 ( 2.146 -6.207 4.694) 8.072 9.766 ( -0.503 -20.262 0.823) 20.285 9.798 ( 3.188 -8.775 1.689) 9.487 9.978 ( -6.880 -1.317 -1.815) 7.236 10.042 ( -4.253 -3.073 2.239) 5.705 10.436 ( 2.469 -2.078 -1.895) 3.742 10.541 ( 4.290 -5.919 -0.989) 7.377 10.605 ( 4.546 3.549 -6.764) 8.889 10.752 ( 1.045 5.224 -5.660) 7.773 10.908 ( -5.451 2.953 0.348) 6.209 11.070 ( -10.649 -3.445 -3.198) 11.640 11.249 ( 8.462 -5.588 4.160) 10.961 11.396 ( 2.806 -9.006 -3.205) 9.963 17.023 ( 6.522 31.279 -7.871) 32.907 17.453 ( -10.640 29.053 -24.768) 39.633 18.771 ( -2.381 -19.781 2.952) 20.142 18.808 ( -2.792 -23.936 0.232) 24.100 20.234 ( 11.439 0.777 0.862) 11.498 20.337 ( 14.446 -2.042 -1.786) 14.699 20.845 ( -8.781 -3.151 1.702) 9.483 20.905 ( -5.563 -6.993 -5.957) 10.740 21.590 ( -0.177 5.016 -0.155) 5.022 21.608 ( -0.130 1.856 -2.480) 3.100 21.706 ( 0.699 1.396 -1.170) 1.951 21.804 ( -2.629 1.630 -1.037) 3.263 28.283 ( 0.356 9.745 -0.980) 9.800 28.365 ( -1.192 10.650 -4.528) 11.634 28.870 ( -4.418 4.030 -2.094) 6.336 28.953 ( -5.339 4.567 -6.115) 9.315 29.519 ( 4.940 -1.577 2.080) 5.587 29.671 ( -1.642 -5.146 -3.098) 6.227 30.043 ( 4.684 -8.387 4.784) 10.731 30.130 ( 0.454 -8.920 1.374) 9.037 ======================= Grid point 107 (42/60) ======================= q-point: (-0.50 0.33 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.67e-09 3.67e-09 3.67e-09 3.67e-09 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 95 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.476 ( -10.853 -3.921 20.434) 23.467 1.476 ( 10.853 -3.921 20.434) 23.467 1.767 ( -18.468 14.381 -15.184) 27.900 1.767 ( 18.468 14.381 -15.184) 27.900 2.114 ( -10.349 -7.178 -7.303) 14.559 2.114 ( 10.349 -7.178 -7.303) 14.559 2.464 ( -10.724 2.028 -6.689) 12.801 2.464 ( 10.724 2.028 -6.689) 12.801 2.876 ( -11.160 -0.134 11.790) 16.234 2.876 ( 11.160 -0.134 11.790) 16.234 3.217 ( -3.694 19.602 -4.503) 20.449 3.217 ( 3.694 19.602 -4.503) 20.449 3.649 ( -12.767 10.514 -11.627) 20.217 3.649 ( 12.767 10.514 -11.627) 20.217 4.024 ( -9.518 16.094 6.999) 19.965 4.024 ( 9.518 16.094 6.999) 19.965 4.160 ( -4.833 11.109 -4.334) 12.866 4.160 ( 4.833 11.109 -4.334) 12.866 4.725 ( -8.299 0.506 -2.901) 8.806 4.725 ( 8.299 0.506 -2.901) 8.806 5.209 ( -3.767 5.943 -5.858) 9.156 5.209 ( 3.767 5.943 -5.858) 9.156 5.527 ( -6.982 1.302 0.211) 7.105 5.527 ( 6.982 1.302 0.211) 7.105 5.942 ( -10.420 4.556 12.624) 16.991 5.942 ( 10.420 4.556 12.624) 16.991 6.044 ( -11.514 12.901 -7.975) 19.042 6.044 ( 11.514 12.901 -7.975) 19.042 6.392 ( -5.994 -2.574 -2.708) 7.063 6.392 ( 5.994 -2.574 -2.708) 7.063 6.648 ( -10.017 7.558 3.193) 12.948 6.648 ( 10.017 7.558 3.193) 12.948 6.894 ( -6.548 -8.266 0.360) 10.551 6.894 ( 6.548 -8.266 0.360) 10.551 7.139 ( -6.891 -6.806 -1.225) 9.763 7.139 ( 6.891 -6.806 -1.225) 9.763 7.539 ( -6.896 10.503 0.275) 12.568 7.539 ( 6.896 10.503 0.275) 12.568 7.951 ( -1.849 3.258 -1.191) 3.931 7.951 ( 1.849 3.258 -1.191) 3.931 8.083 ( -1.370 -4.682 3.711) 6.129 8.083 ( 1.370 -4.682 3.711) 6.129 8.396 ( -4.075 -5.846 0.101) 7.127 8.396 ( 4.075 -5.846 0.101) 7.127 8.643 ( -12.320 -3.016 7.711) 14.844 8.643 ( 12.320 -3.016 7.711) 14.844 8.714 ( -1.675 -1.531 -5.036) 5.523 8.714 ( 1.675 -1.531 -5.036) 5.523 9.041 ( -13.643 -3.856 4.943) 15.014 9.041 ( 13.643 -3.856 4.943) 15.014 9.656 ( -5.903 -6.219 -4.506) 9.686 9.656 ( 5.903 -6.219 -4.506) 9.686 9.819 ( -6.886 -7.942 -3.231) 10.996 9.819 ( 6.886 -7.942 -3.231) 10.996 9.924 ( -6.762 -3.065 1.634) 7.601 9.924 ( 6.762 -3.065 1.634) 7.601 10.506 ( -3.950 -2.441 -2.477) 5.263 10.506 ( 3.950 -2.441 -2.477) 5.263 10.801 ( -3.395 2.430 -0.493) 4.204 10.801 ( 3.395 2.430 -0.493) 4.204 10.832 ( -9.235 -0.056 -4.765) 10.392 10.832 ( 9.235 -0.056 -4.765) 10.392 11.385 ( -3.955 -8.293 0.880) 9.229 11.385 ( 3.955 -8.293 0.880) 9.229 17.212 ( -11.649 30.523 -14.958) 35.932 17.212 ( 11.649 30.523 -14.958) 35.932 18.759 ( -1.286 -20.649 1.365) 20.734 18.759 ( 1.286 -20.649 1.365) 20.734 20.487 ( -8.387 2.309 1.089) 8.767 20.487 ( 8.387 2.309 1.089) 8.767 20.745 ( -6.827 -8.264 -4.102) 11.477 20.745 ( 6.827 -8.264 -4.102) 11.477 21.597 ( -0.757 2.839 -2.652) 3.958 21.597 ( 0.757 2.839 -2.652) 3.958 21.744 ( -2.852 1.227 -0.349) 3.124 21.744 ( 2.852 1.227 -0.349) 3.124 28.317 ( -2.815 10.518 -2.001) 11.070 28.317 ( 2.815 10.518 -2.001) 11.070 28.854 ( -2.973 1.612 -5.507) 6.462 28.854 ( 2.973 1.612 -5.507) 6.462 29.614 ( -3.956 -0.765 0.182) 4.034 29.614 ( 3.956 -0.765 0.182) 4.034 30.118 ( -2.126 -8.950 3.074) 9.699 30.118 ( 2.126 -8.950 3.074) 9.699 ======================= Grid point 110 (43/60) ======================= q-point: ( 0.00 0.44 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.67e-09 3.67e-09 3.67e-09 3.67e-09 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.221 ( 0.000 3.287 -5.611) 6.503 1.381 ( 0.000 -12.370 14.494) 19.055 1.812 ( 0.000 11.276 -4.997) 12.334 1.828 ( 0.000 23.365 -25.074) 34.272 2.077 ( 0.000 -12.449 -13.848) 18.621 2.312 ( 0.000 -14.655 -15.238) 21.141 2.572 ( 0.000 0.139 6.740) 6.742 2.599 ( 0.000 4.651 -20.396) 20.919 2.774 ( 0.000 10.134 1.728) 10.280 3.117 ( 0.000 -7.769 5.822) 9.709 3.270 ( 0.000 3.533 16.951) 17.316 3.464 ( 0.000 -15.926 1.661) 16.012 4.057 ( 0.000 15.525 6.744) 16.926 4.060 ( 0.000 24.155 0.361) 24.158 4.224 ( 0.000 4.988 0.466) 5.009 4.251 ( 0.000 3.766 -5.180) 6.404 4.364 ( 0.000 -6.872 7.608) 10.252 4.416 ( 0.000 -7.994 -0.152) 7.995 4.618 ( 0.000 8.122 -5.157) 9.621 4.651 ( 0.000 1.066 -13.788) 13.830 4.842 ( 0.000 9.843 -2.233) 10.093 5.105 ( 0.000 -4.305 1.617) 4.599 5.454 ( 0.000 2.202 3.150) 3.844 5.678 ( 0.000 -5.517 -8.983) 10.542 5.845 ( 0.000 3.608 -7.953) 8.733 5.883 ( 0.000 5.687 0.923) 5.761 6.072 ( 0.000 15.527 -22.895) 27.663 6.253 ( 0.000 1.351 2.855) 3.159 6.389 ( 0.000 -5.248 6.277) 8.182 6.448 ( 0.000 -9.699 3.887) 10.449 6.674 ( 0.000 1.696 -6.505) 6.722 6.726 ( 0.000 0.358 3.255) 3.274 6.931 ( 0.000 -6.354 1.323) 6.491 6.937 ( 0.000 -5.546 2.413) 6.048 7.125 ( 0.000 6.085 -0.497) 6.105 7.245 ( 0.000 -2.245 1.097) 2.498 7.565 ( 0.000 8.115 1.058) 8.184 7.701 ( 0.000 1.831 7.361) 7.585 7.892 ( 0.000 3.616 -2.907) 4.640 7.942 ( 0.000 2.438 -1.993) 3.149 7.994 ( 0.000 4.377 7.023) 8.275 8.041 ( 0.000 4.876 12.383) 13.308 8.146 ( 0.000 -7.956 1.162) 8.041 8.170 ( 0.000 -8.433 2.004) 8.667 8.349 ( 0.000 4.213 -10.587) 11.394 8.641 ( 0.000 0.346 -7.160) 7.168 8.709 ( 0.000 6.155 10.794) 12.426 9.016 ( 0.000 0.316 -2.742) 2.761 9.097 ( 0.000 3.975 -1.087) 4.121 9.212 ( 0.000 -6.539 12.390) 14.009 9.297 ( 0.000 -16.864 2.635) 17.069 9.388 ( 0.000 -17.839 5.250) 18.596 9.733 ( 0.000 3.290 -3.568) 4.854 9.772 ( 0.000 -0.626 -2.367) 2.448 10.005 ( 0.000 0.195 4.075) 4.079 10.033 ( 0.000 -2.329 3.163) 3.928 10.418 ( 0.000 1.232 -3.146) 3.378 10.424 ( 0.000 0.643 -3.226) 3.289 10.697 ( 0.000 8.900 -11.838) 14.811 10.874 ( 0.000 -0.331 -16.297) 16.300 10.985 ( 0.000 -0.248 3.799) 3.807 11.069 ( 0.000 1.331 -2.113) 2.497 11.133 ( 0.000 -4.800 -4.010) 6.255 11.147 ( 0.000 -7.993 0.178) 7.995 17.571 ( 0.000 31.723 -5.263) 32.157 18.060 ( 0.000 18.992 -18.487) 26.504 18.205 ( 0.000 -28.016 -7.170) 28.919 18.492 ( 0.000 -19.481 -10.749) 22.250 20.128 ( 0.000 0.283 0.150) 0.320 20.134 ( 0.000 -0.401 0.172) 0.437 20.882 ( 0.000 -1.422 -2.145) 2.573 20.890 ( 0.000 -1.819 1.264) 2.215 21.656 ( 0.000 2.679 -0.313) 2.698 21.691 ( 0.000 0.252 1.320) 1.344 21.734 ( 0.000 4.657 -1.465) 4.882 21.821 ( 0.000 -3.016 -0.425) 3.045 28.455 ( 0.000 7.630 -2.579) 8.054 28.518 ( 0.000 2.531 -5.713) 6.248 29.090 ( 0.000 3.948 -0.073) 3.948 29.097 ( 0.000 1.857 -0.576) 1.944 29.445 ( 0.000 2.993 -0.850) 3.111 29.521 ( 0.000 -5.930 -2.742) 6.534 29.869 ( 0.000 -2.239 3.521) 4.172 29.943 ( 0.000 -8.559 0.162) 8.561 ======================= Grid point 111 (44/60) ======================= q-point: ( 0.25 0.44 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.67e-09 3.67e-09 3.67e-09 3.67e-09 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.347 ( 9.390 -1.721 -2.640) 9.904 1.406 ( 5.259 -7.202 6.429) 10.993 1.656 ( -4.015 13.509 -7.396) 15.915 1.935 ( -2.862 -10.228 -10.792) 15.142 2.199 ( 11.398 16.690 -17.402) 26.670 2.385 ( -4.565 8.593 0.298) 9.735 2.424 ( -5.658 -2.154 7.501) 9.639 2.651 ( -4.557 12.011 -10.427) 16.545 2.712 ( 11.546 -20.986 -23.839) 33.794 2.881 ( -17.909 -4.885 7.700) 20.097 3.158 ( -10.491 2.018 12.359) 16.336 3.363 ( -9.970 -16.078 -8.431) 20.713 4.004 ( -0.470 20.323 4.692) 20.863 4.110 ( 0.537 18.874 1.457) 18.938 4.188 ( -2.576 8.202 1.629) 8.749 4.293 ( 6.392 0.869 1.830) 6.706 4.378 ( -1.419 -3.169 0.439) 3.500 4.404 ( 4.655 -2.867 0.784) 5.523 4.561 ( -7.806 12.241 3.967) 15.051 4.703 ( 1.319 -4.827 -0.795) 5.067 5.132 ( 20.364 5.131 -5.086) 21.608 5.237 ( 10.001 2.429 -7.593) 12.789 5.544 ( 5.398 2.612 1.299) 6.136 5.620 ( -5.631 7.735 -8.298) 12.665 5.723 ( 2.641 -8.220 -3.407) 9.282 5.883 ( -2.851 -11.488 -10.732) 15.978 6.100 ( -7.264 8.956 -1.084) 11.582 6.238 ( 4.649 -0.232 -13.895) 14.654 6.421 ( -1.260 6.185 7.334) 9.676 6.570 ( -1.782 -6.009 -6.461) 9.001 6.617 ( 1.510 2.690 9.417) 9.910 6.736 ( 6.540 -5.880 0.100) 8.796 6.773 ( -3.290 7.185 -0.267) 7.907 6.926 ( -4.356 -5.114 0.004) 6.718 7.115 ( -3.206 6.937 4.263) 8.750 7.227 ( -3.351 -3.356 1.537) 4.985 7.575 ( 1.224 8.859 2.785) 9.367 7.754 ( 2.251 -4.461 5.567) 7.481 7.875 ( -4.818 -2.314 2.017) 5.713 7.896 ( -2.260 -2.382 -0.024) 3.284 8.075 ( 9.137 10.870 1.077) 14.241 8.150 ( -0.042 -3.381 -1.894) 3.876 8.197 ( 9.082 2.282 5.475) 10.847 8.266 ( 11.374 5.168 3.102) 12.872 8.375 ( 7.652 -5.847 -6.016) 11.355 8.562 ( -7.064 -10.679 1.717) 12.918 8.711 ( 0.535 17.630 10.744) 20.653 8.965 ( -2.893 4.401 3.070) 6.096 9.069 ( -9.533 -0.558 4.192) 10.429 9.176 ( -4.020 -9.442 7.000) 12.422 9.285 ( -1.469 -17.090 1.311) 17.203 9.338 ( -6.904 -17.173 4.676) 19.091 9.714 ( 2.851 3.424 -5.974) 7.452 9.757 ( 3.168 -1.218 -4.566) 5.689 9.977 ( -3.528 0.555 -0.439) 3.598 9.999 ( -3.547 -1.680 0.476) 3.954 10.474 ( 4.720 4.200 -3.852) 7.400 10.527 ( 8.093 0.140 -3.023) 8.640 10.681 ( -1.859 7.178 -10.303) 12.694 10.851 ( -2.830 -4.241 -13.464) 14.398 10.952 ( -1.754 7.945 1.206) 8.226 11.034 ( -4.318 1.926 -1.664) 5.012 11.129 ( 2.734 -6.033 0.176) 6.625 11.188 ( 1.127 -11.994 -1.977) 12.208 17.626 ( 5.385 30.778 -7.043) 32.030 17.973 ( -8.265 24.563 -18.163) 31.647 18.219 ( 2.333 -29.871 -4.289) 30.268 18.425 ( -5.684 -21.362 -9.162) 23.929 20.259 ( 12.440 1.765 -0.393) 12.571 20.298 ( 13.698 -2.059 -1.267) 13.910 20.806 ( -8.190 -0.745 0.104) 8.225 20.820 ( -6.653 -2.205 -1.893) 7.260 21.656 ( 0.044 2.590 -0.754) 2.698 21.684 ( -0.455 2.034 1.514) 2.576 21.716 ( -1.160 2.040 -1.612) 2.847 21.790 ( -2.801 -2.938 -0.194) 4.064 28.476 ( 2.356 9.132 -2.551) 9.770 28.542 ( 2.083 4.747 -5.641) 7.662 28.887 ( -11.777 -0.126 -0.867) 11.810 28.953 ( -11.504 -4.473 -4.143) 13.020 29.582 ( 8.833 6.935 1.466) 11.326 29.648 ( 7.099 1.713 -1.399) 7.436 29.883 ( 1.253 -6.052 3.494) 7.099 29.939 ( -0.503 -9.609 0.605) 9.641 ======================= Grid point 112 (45/60) ======================= q-point: (-0.50 0.44 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.67e-09 3.67e-09 3.67e-09 3.67e-09 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 95 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.493 ( -8.667 7.615 6.428) 13.207 1.493 ( 8.667 7.615 6.428) 13.207 1.737 ( -19.193 -14.703 -11.105) 26.606 1.737 ( 19.193 -14.703 -11.105) 26.606 2.258 ( -9.024 18.683 -0.833) 20.765 2.258 ( 9.024 18.683 -0.833) 20.765 2.521 ( -9.060 -3.279 -2.708) 10.009 2.521 ( 9.060 -3.279 -2.708) 10.009 2.830 ( -19.858 2.915 0.633) 20.081 2.830 ( 19.858 2.915 0.633) 20.081 3.081 ( -17.023 -17.931 -20.239) 31.952 3.081 ( 17.023 -17.931 -20.239) 31.952 4.055 ( -3.674 22.664 3.640) 23.247 4.055 ( 3.674 22.664 3.640) 23.247 4.277 ( -8.483 5.841 8.047) 13.070 4.277 ( 8.483 5.841 8.047) 13.070 4.400 ( -4.298 8.226 -0.319) 9.287 4.400 ( 4.298 8.226 -0.319) 9.287 4.592 ( -11.211 -11.432 6.153) 17.153 4.592 ( 11.211 -11.432 6.153) 17.153 5.366 ( -7.468 11.590 -15.837) 20.997 5.366 ( 7.468 11.590 -15.837) 20.997 5.599 ( -13.181 -4.661 -6.541) 15.435 5.599 ( 13.181 -4.661 -6.541) 15.435 5.827 ( -14.670 2.960 1.421) 15.033 5.827 ( 14.670 2.960 1.421) 15.033 6.085 ( -18.283 -15.318 0.220) 23.853 6.085 ( 18.283 -15.318 0.220) 23.853 6.479 ( -12.400 14.658 -6.753) 20.352 6.479 ( 12.400 14.658 -6.753) 20.352 6.682 ( -6.592 -5.315 -3.651) 9.221 6.682 ( 6.592 -5.315 -3.651) 9.221 6.951 ( -10.937 7.715 6.456) 14.860 6.951 ( 10.937 7.715 6.456) 14.860 7.049 ( -12.313 -2.338 4.759) 13.406 7.049 ( 12.313 -2.338 4.759) 13.406 7.684 ( -8.399 4.838 1.967) 9.891 7.684 ( 8.399 4.838 1.967) 9.891 7.835 ( -2.889 -10.591 0.965) 11.020 7.835 ( 2.889 -10.591 0.965) 11.020 8.184 ( -1.701 10.202 -2.674) 10.683 8.184 ( 1.701 10.202 -2.674) 10.683 8.335 ( -9.255 -3.720 2.636) 10.318 8.335 ( 9.255 -3.720 2.636) 10.318 8.613 ( -13.673 4.391 11.321) 18.287 8.613 ( 13.673 4.391 11.321) 18.287 8.726 ( -18.839 -1.495 4.745) 19.484 8.726 ( 18.839 -1.495 4.745) 19.484 8.991 ( -6.933 2.950 3.197) 8.185 8.991 ( 6.933 2.950 3.197) 8.185 9.263 ( -0.833 -22.322 2.612) 22.489 9.263 ( 0.833 -22.322 2.612) 22.489 9.854 ( -7.716 2.594 -6.255) 10.266 9.854 ( 7.716 2.594 -6.255) 10.266 9.888 ( -6.852 -1.345 -2.400) 7.383 9.888 ( 6.852 -1.345 -2.400) 7.383 10.579 ( -4.856 8.268 -6.426) 11.543 10.579 ( 4.856 8.268 -6.426) 11.543 10.731 ( -8.149 -6.206 -6.351) 12.052 10.731 ( 8.149 -6.206 -6.351) 12.052 10.961 ( -2.473 9.589 -1.775) 10.061 10.961 ( 2.473 9.589 -1.775) 10.061 11.181 ( -1.768 -12.145 -0.608) 12.288 11.181 ( 1.768 -12.145 -0.608) 12.288 17.780 ( -9.421 28.159 -12.023) 32.035 17.780 ( 9.421 28.159 -12.023) 32.035 18.303 ( -5.612 -25.707 -6.026) 26.994 18.303 ( 5.612 -25.707 -6.026) 26.994 20.542 ( -8.512 3.388 -0.366) 9.169 20.542 ( 8.512 3.388 -0.366) 9.169 20.620 ( -7.695 -4.928 -2.573) 9.493 20.620 ( 7.695 -4.928 -2.573) 9.493 21.665 ( -1.054 3.857 -0.834) 4.085 21.665 ( 1.055 3.857 -0.834) 4.085 21.730 ( -2.472 -2.396 0.222) 3.449 21.730 ( 2.472 -2.396 0.222) 3.450 28.547 ( -3.347 12.710 -3.367) 13.568 28.547 ( 3.347 12.710 -3.367) 13.568 28.774 ( -3.477 -9.368 -4.276) 10.869 28.774 ( 3.477 -9.368 -4.276) 10.869 29.703 ( -2.147 9.303 0.955) 9.595 29.703 ( 2.147 9.303 0.955) 9.595 29.917 ( -1.760 -11.493 2.077) 11.811 29.917 ( 1.760 -11.493 2.077) 11.811 ======================= Grid point 135 (46/60) ======================= q-point: ( 0.00 0.00 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.67e-09 3.67e-09 3.67e-09 3.67e-09 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.628 ( 0.000 0.000 1.088) 1.088 0.659 ( 0.000 0.000 -2.076) 2.076 1.124 ( 0.000 0.000 19.661) 19.661 1.508 ( 0.000 0.000 -18.629) 18.629 1.721 ( 0.000 0.000 13.170) 13.170 1.969 ( 0.000 0.000 27.011) 27.011 2.000 ( 0.000 0.000 15.731) 15.731 2.029 ( 0.000 0.000 -12.992) 12.992 2.078 ( 0.000 0.000 1.170) 1.170 2.211 ( 0.000 0.000 2.109) 2.109 2.423 ( 0.000 0.000 -17.929) 17.929 2.581 ( 0.000 0.000 11.600) 11.600 2.599 ( 0.000 0.000 -23.604) 23.604 2.779 ( 0.000 0.000 4.207) 4.207 3.522 ( 0.000 0.000 -4.071) 4.071 3.530 ( 0.000 0.000 4.135) 4.135 3.556 ( 0.000 0.000 1.314) 1.314 3.837 ( 0.000 0.000 -23.448) 23.448 4.361 ( 0.000 0.000 21.402) 21.402 4.496 ( 0.000 0.000 18.341) 18.341 4.624 ( 0.000 0.000 16.489) 16.489 4.665 ( 0.000 0.000 10.959) 10.959 4.780 ( 0.000 0.000 -17.479) 17.479 4.966 ( 0.000 0.000 -23.327) 23.327 5.521 ( 0.000 0.000 15.812) 15.812 5.810 ( 0.000 0.000 -9.290) 9.290 5.865 ( 0.000 0.000 -8.733) 8.733 5.931 ( 0.000 0.000 -16.559) 16.559 6.314 ( 0.000 0.000 31.375) 31.375 6.383 ( 0.000 0.000 12.877) 12.877 6.601 ( 0.000 0.000 -8.598) 8.598 6.912 ( 0.000 0.000 -20.938) 20.938 6.996 ( 0.000 0.000 6.320) 6.320 7.175 ( 0.000 0.000 -11.032) 11.032 7.317 ( 0.000 0.000 12.784) 12.784 7.441 ( 0.000 0.000 -0.551) 0.551 7.442 ( 0.000 0.000 -6.702) 6.702 7.495 ( 0.000 0.000 -4.387) 4.387 7.768 ( 0.000 0.000 9.810) 9.810 7.956 ( 0.000 0.000 -3.674) 3.674 7.995 ( 0.000 0.000 -2.072) 2.072 8.113 ( 0.000 0.000 -18.758) 18.758 8.375 ( 0.000 0.000 5.667) 5.667 8.459 ( 0.000 0.000 -3.738) 3.738 8.797 ( 0.000 0.000 3.853) 3.853 8.816 ( 0.000 0.000 3.634) 3.634 8.881 ( 0.000 0.000 -2.429) 2.429 8.931 ( 0.000 0.000 -10.550) 10.550 9.579 ( 0.000 0.000 9.321) 9.321 9.732 ( 0.000 0.000 -3.237) 3.237 9.841 ( 0.000 0.000 3.317) 3.317 9.897 ( 0.000 0.000 -2.398) 2.398 9.908 ( 0.000 0.000 2.475) 2.475 10.023 ( 0.000 0.000 -4.963) 4.963 10.153 ( 0.000 0.000 6.562) 6.562 10.233 ( 0.000 0.000 -1.382) 1.382 10.294 ( 0.000 0.000 10.110) 10.110 10.481 ( 0.000 0.000 -7.236) 7.236 10.716 ( 0.000 0.000 -0.784) 0.784 10.716 ( 0.000 0.000 -0.651) 0.651 11.029 ( 0.000 0.000 7.894) 7.894 11.160 ( 0.000 0.000 -4.624) 4.624 11.654 ( 0.000 0.000 11.283) 11.283 11.867 ( 0.000 0.000 -9.710) 9.710 15.827 ( 0.000 0.000 1.255) 1.255 15.838 ( 0.000 0.000 0.213) 0.213 19.461 ( 0.000 0.000 17.903) 17.903 19.785 ( 0.000 0.000 -14.886) 14.886 20.139 ( 0.000 0.000 0.956) 0.956 20.159 ( 0.000 0.000 -0.746) 0.746 21.159 ( 0.000 0.000 -0.328) 0.328 21.205 ( 0.000 0.000 -5.212) 5.212 21.439 ( 0.000 0.000 1.978) 1.978 21.493 ( 0.000 0.000 -3.439) 3.439 21.663 ( 0.000 0.000 3.806) 3.806 21.732 ( 0.000 0.000 -2.951) 2.951 28.001 ( 0.000 0.000 3.627) 3.627 28.007 ( 0.000 0.000 3.946) 3.946 28.590 ( 0.000 0.000 -4.558) 4.558 28.604 ( 0.000 0.000 -5.801) 5.801 29.728 ( 0.000 0.000 4.767) 4.767 29.850 ( 0.000 0.000 -7.321) 7.321 30.343 ( 0.000 0.000 3.903) 3.903 30.388 ( 0.000 0.000 -0.668) 0.668 ======================= Grid point 136 (47/60) ======================= q-point: ( 0.25 0.00 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.67e-09 3.67e-09 3.67e-09 3.67e-09 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 70 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.631 ( 0.330 0.000 0.550) 0.642 0.654 ( -0.492 0.000 -1.816) 1.881 1.455 ( 18.490 0.000 15.778) 24.307 1.515 ( -9.976 0.000 8.305) 12.981 1.607 ( 5.744 0.000 12.048) 13.347 1.786 ( -18.264 0.000 -17.268) 25.135 1.855 ( -9.012 0.000 -8.875) 12.649 2.077 ( 0.834 0.000 1.842) 2.022 2.088 ( 0.718 0.000 1.141) 1.348 2.094 ( -1.935 0.000 -18.453) 18.554 2.373 ( 14.532 0.000 16.431) 21.935 2.680 ( -5.656 0.000 11.757) 13.047 2.689 ( 3.259 0.000 -9.786) 10.315 2.956 ( 5.651 0.000 -4.448) 7.191 3.407 ( -2.987 0.000 17.647) 17.898 3.534 ( 0.411 0.000 3.562) 3.585 3.553 ( -0.341 0.000 1.706) 1.740 3.931 ( 6.370 0.000 -21.680) 22.596 4.252 ( -2.232 0.000 5.086) 5.555 4.272 ( -17.583 0.000 21.885) 28.073 4.543 ( -13.271 0.000 -19.219) 23.355 4.671 ( -9.173 0.000 -11.620) 14.804 4.790 ( 19.383 0.000 22.747) 29.886 5.192 ( 10.886 0.000 -15.332) 18.804 5.627 ( 3.476 0.000 5.693) 6.671 5.771 ( 1.100 0.000 -9.797) 9.859 5.861 ( 6.044 0.000 6.791) 9.091 6.033 ( -13.694 0.000 22.442) 26.290 6.070 ( 2.847 0.000 -10.466) 10.847 6.298 ( -16.947 0.000 2.377) 17.113 6.657 ( 10.256 0.000 3.214) 10.748 6.964 ( -2.230 0.000 -19.394) 19.522 7.069 ( 7.221 0.000 8.595) 11.226 7.279 ( 8.474 0.000 -5.560) 10.135 7.351 ( -0.004 0.000 1.627) 1.627 7.478 ( 0.518 0.000 -4.822) 4.849 7.483 ( 11.355 0.000 7.147) 13.417 7.646 ( 11.011 0.000 -10.242) 15.038 7.763 ( -0.172 0.000 7.090) 7.092 7.910 ( -4.315 0.000 -6.045) 7.427 8.079 ( 10.367 0.000 1.274) 10.445 8.211 ( 8.987 0.000 -12.553) 15.439 8.256 ( -9.303 0.000 5.743) 10.933 8.356 ( -9.200 0.000 -5.095) 10.517 8.811 ( -0.726 0.000 2.956) 3.044 8.851 ( 3.940 0.000 2.092) 4.461 8.865 ( -1.637 0.000 -1.946) 2.543 8.937 ( 0.048 0.000 -7.160) 7.160 9.288 ( -22.461 0.000 5.692) 23.171 9.392 ( -26.007 0.000 -4.449) 26.385 9.855 ( 1.198 0.000 2.499) 2.771 9.895 ( -0.356 0.000 -1.442) 1.485 9.946 ( 3.052 0.000 5.213) 6.041 10.019 ( -0.346 0.000 -1.070) 1.125 10.164 ( 1.034 0.000 5.109) 5.213 10.221 ( -1.125 0.000 -0.520) 1.239 10.424 ( 7.381 0.000 4.730) 8.767 10.522 ( 2.100 0.000 -3.770) 4.316 10.686 ( -1.826 0.000 0.226) 1.840 10.701 ( -1.334 0.000 -1.137) 1.753 11.178 ( 11.494 0.000 6.552) 13.230 11.298 ( 12.296 0.000 -4.974) 13.264 11.593 ( -5.861 0.000 10.033) 11.619 11.792 ( -7.285 0.000 -9.375) 11.872 15.829 ( 0.136 0.000 1.101) 1.109 15.836 ( -0.157 0.000 0.364) 0.397 19.391 ( -4.111 0.000 12.005) 12.690 19.575 ( -13.079 0.000 -6.391) 14.557 20.268 ( 9.781 0.000 2.772) 10.166 20.339 ( 9.975 0.000 -4.442) 10.919 21.122 ( -2.797 0.000 -0.115) 2.799 21.168 ( -3.343 0.000 -5.017) 6.028 21.446 ( 0.671 0.000 1.519) 1.661 21.484 ( -0.837 0.000 -2.105) 2.265 21.675 ( 1.045 0.000 2.276) 2.504 21.723 ( -0.860 0.000 -2.296) 2.451 28.030 ( 3.435 0.000 4.837) 5.932 28.066 ( 3.669 0.000 1.486) 3.959 28.555 ( -3.007 0.000 -4.387) 5.318 28.562 ( -3.257 0.000 -5.117) 6.065 29.731 ( 0.586 0.000 2.850) 2.909 29.817 ( -2.783 0.000 -5.533) 6.194 30.378 ( 2.727 0.000 3.068) 4.104 30.408 ( 1.464 0.000 0.029) 1.464 ======================= Grid point 137 (48/60) ======================= q-point: (-0.50 0.00 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.67e-09 3.67e-09 3.67e-09 3.67e-09 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 55 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.641 ( -0.643 0.000 -0.766) 1.000 0.641 ( 0.643 0.000 -0.766) 1.000 1.486 ( -8.141 0.000 -7.066) 10.780 1.486 ( 8.141 0.000 -7.066) 10.780 1.518 ( -9.792 0.000 0.603) 9.810 1.518 ( 9.792 0.000 0.603) 9.810 2.087 ( -0.409 0.000 0.434) 0.596 2.087 ( 0.409 0.000 0.434) 0.596 2.127 ( -23.061 0.000 3.944) 23.396 2.127 ( 23.061 0.000 3.944) 23.396 2.631 ( -8.921 0.000 9.242) 12.845 2.631 ( 8.921 0.000 9.242) 12.845 2.690 ( -20.826 0.000 -10.716) 23.421 2.690 ( 20.826 0.000 -10.716) 23.421 3.544 ( -0.489 0.000 2.559) 2.606 3.544 ( 0.489 0.000 2.559) 2.606 3.680 ( -21.920 0.000 30.720) 37.738 3.680 ( 21.920 0.000 30.720) 37.738 4.317 ( -8.082 0.000 -12.080) 14.534 4.317 ( 8.082 0.000 -12.080) 14.534 4.372 ( -17.216 0.000 -22.669) 28.466 4.372 ( 17.216 0.000 -22.669) 28.466 5.169 ( -14.316 0.000 10.736) 17.894 5.169 ( 14.316 0.000 10.736) 17.894 5.716 ( -5.225 0.000 0.625) 5.262 5.716 ( 5.225 0.000 0.625) 5.262 5.984 ( -10.491 0.000 5.170) 11.696 5.984 ( 10.491 0.000 5.170) 11.696 6.024 ( -6.360 0.000 -0.989) 6.437 6.024 ( 6.360 0.000 -0.989) 6.437 6.845 ( -8.015 0.000 -5.926) 9.967 6.845 ( 8.015 0.000 -5.926) 9.967 7.243 ( -8.265 0.000 7.358) 11.065 7.243 ( 8.265 0.000 7.358) 11.065 7.451 ( -6.040 0.000 -5.978) 8.498 7.451 ( 6.040 0.000 -5.978) 8.498 7.728 ( -7.293 0.000 -0.777) 7.334 7.728 ( 7.293 0.000 -0.777) 7.334 7.809 ( -4.820 0.000 -3.858) 6.174 7.809 ( 4.820 0.000 -3.858) 6.174 8.169 ( -5.269 0.000 -1.871) 5.591 8.169 ( 5.269 0.000 -1.871) 5.591 8.344 ( -6.180 0.000 0.563) 6.206 8.344 ( 6.180 0.000 0.563) 6.206 8.790 ( -3.609 0.000 -2.420) 4.345 8.790 ( 3.609 0.000 -2.420) 4.345 8.917 ( -2.188 0.000 -1.903) 2.899 8.917 ( 2.188 0.000 -1.903) 2.899 9.006 ( -3.069 0.000 -0.367) 3.091 9.006 ( 3.069 0.000 -0.367) 3.091 9.880 ( -1.097 0.000 0.639) 1.269 9.880 ( 1.097 0.000 0.639) 1.269 9.999 ( -1.880 0.000 2.579) 3.191 9.999 ( 1.880 0.000 2.579) 3.191 10.192 ( -1.589 0.000 1.975) 2.534 10.192 ( 1.589 0.000 1.975) 2.534 10.523 ( -2.410 0.000 1.180) 2.683 10.523 ( 2.410 0.000 1.180) 2.683 10.674 ( -0.862 0.000 -1.080) 1.382 10.674 ( 0.862 0.000 -1.080) 1.382 11.408 ( -9.917 0.000 9.078) 13.445 11.408 ( 9.917 0.000 9.078) 13.445 11.586 ( -12.210 0.000 -8.451) 14.850 11.586 ( 12.210 0.000 -8.451) 14.850 15.832 ( -0.207 0.000 0.731) 0.760 15.832 ( 0.207 0.000 0.731) 0.760 19.386 ( -4.584 0.000 2.739) 5.340 19.386 ( 4.584 0.000 2.739) 5.340 20.420 ( -2.902 0.000 -0.024) 2.903 20.420 ( 2.902 0.000 -0.024) 2.903 21.103 ( -1.795 0.000 -2.828) 3.350 21.103 ( 1.795 0.000 -2.828) 3.350 21.464 ( -1.033 0.000 0.090) 1.037 21.464 ( 1.033 0.000 0.090) 1.037 21.700 ( -1.314 0.000 -0.393) 1.371 21.700 ( 1.314 0.000 -0.393) 1.371 28.097 ( -1.576 0.000 2.668) 3.099 28.097 ( 1.576 0.000 2.668) 3.099 28.516 ( -0.340 0.000 -4.390) 4.403 28.516 ( 0.340 0.000 -4.390) 4.403 29.760 ( -2.336 0.000 -1.460) 2.755 29.760 ( 2.336 0.000 -1.460) 2.755 30.419 ( -0.796 0.000 1.533) 1.728 30.419 ( 0.796 0.000 1.533) 1.728 ======================= Grid point 140 (49/60) ======================= q-point: ( 0.00 0.11 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.67e-09 3.67e-09 3.67e-09 3.67e-09 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.110 ( 0.000 0.849 11.636) 11.666 1.378 ( 0.000 23.644 -8.159) 25.012 1.417 ( 0.000 53.009 0.177) 53.009 1.449 ( 0.000 20.694 -8.968) 22.554 1.739 ( 0.000 -5.985 23.131) 23.893 1.890 ( 0.000 11.021 20.567) 23.333 2.241 ( 0.000 -3.265 -23.026) 23.256 2.246 ( 0.000 16.248 -15.065) 22.157 2.361 ( 0.000 11.430 11.295) 16.069 2.363 ( 0.000 14.604 -0.308) 14.607 2.418 ( 0.000 21.588 -1.808) 21.664 2.519 ( 0.000 2.486 -4.142) 4.831 2.753 ( 0.000 23.628 25.458) 34.733 3.170 ( 0.000 24.040 0.024) 24.040 3.516 ( 0.000 5.487 -16.246) 17.147 3.739 ( 0.000 -8.624 -23.247) 24.795 4.092 ( 0.000 40.678 1.964) 40.725 4.113 ( 0.000 39.794 -1.321) 39.816 4.377 ( 0.000 -0.025 18.293) 18.293 4.525 ( 0.000 5.342 16.256) 17.112 4.557 ( 0.000 0.917 17.721) 17.745 4.666 ( 0.000 0.434 2.653) 2.688 4.802 ( 0.000 2.567 -14.898) 15.117 4.970 ( 0.000 1.760 -23.748) 23.813 5.553 ( 0.000 3.471 13.387) 13.830 5.718 ( 0.000 -7.433 -7.764) 10.749 5.842 ( 0.000 -0.293 -0.609) 0.676 5.996 ( 0.000 6.502 -11.541) 13.246 6.280 ( 0.000 -6.533 12.814) 14.383 6.417 ( 0.000 8.952 28.910) 30.264 6.584 ( 0.000 -1.448 -15.382) 15.450 6.869 ( 0.000 -5.512 -3.600) 6.584 7.091 ( 0.000 6.597 0.000) 6.597 7.200 ( 0.000 0.191 -7.297) 7.300 7.302 ( 0.000 -0.697 -4.371) 4.427 7.417 ( 0.000 -0.643 -8.493) 8.517 7.475 ( 0.000 -3.568 2.341) 4.267 7.482 ( 0.000 4.216 3.133) 5.253 7.664 ( 0.000 -9.198 10.863) 14.234 7.935 ( 0.000 -17.212 -14.820) 22.713 8.034 ( 0.000 4.042 -1.696) 4.384 8.047 ( 0.000 7.758 -4.797) 9.122 8.348 ( 0.000 -2.804 5.677) 6.331 8.441 ( 0.000 -1.994 -5.150) 5.522 8.659 ( 0.000 -10.222 3.260) 10.729 8.760 ( 0.000 -9.827 -5.856) 11.440 8.842 ( 0.000 -0.138 4.763) 4.765 8.958 ( 0.000 0.741 -8.066) 8.100 9.421 ( 0.000 -14.365 6.400) 15.726 9.512 ( 0.000 -13.631 -2.862) 13.928 9.747 ( 0.000 -0.937 3.984) 4.092 9.750 ( 0.000 -2.164 2.465) 3.280 10.053 ( 0.000 1.793 0.277) 1.814 10.102 ( 0.000 0.609 -4.357) 4.399 10.149 ( 0.000 0.068 3.959) 3.959 10.226 ( 0.000 -0.130 -2.665) 2.669 10.493 ( 0.000 9.162 6.133) 11.026 10.590 ( 0.000 5.047 -3.131) 5.939 10.670 ( 0.000 -4.920 -0.423) 4.938 10.677 ( 0.000 -1.629 -0.852) 1.838 11.050 ( 0.000 3.544 3.888) 5.261 11.099 ( 0.000 -5.578 -0.849) 5.643 11.566 ( 0.000 -7.774 8.699) 11.666 11.729 ( 0.000 -12.948 -7.236) 14.832 15.971 ( 0.000 14.626 1.938) 14.754 16.040 ( 0.000 19.595 -5.553) 20.367 19.426 ( 0.000 -4.285 16.461) 17.010 19.712 ( 0.000 -8.397 -12.445) 15.013 20.136 ( 0.000 -0.257 1.103) 1.133 20.156 ( 0.000 -0.247 -0.684) 0.727 21.131 ( 0.000 -3.581 -0.687) 3.647 21.166 ( 0.000 -4.921 -4.060) 6.380 21.494 ( 0.000 4.776 1.403) 4.978 21.544 ( 0.000 4.379 -3.310) 5.490 21.573 ( 0.000 -5.733 4.273) 7.150 21.656 ( 0.000 -5.602 -3.864) 6.806 28.033 ( 0.000 3.390 2.693) 4.329 28.045 ( 0.000 3.605 2.214) 4.230 28.623 ( 0.000 3.590 -3.738) 5.183 28.638 ( 0.000 3.600 -5.247) 6.363 29.708 ( 0.000 -2.213 4.653) 5.153 29.823 ( 0.000 -2.881 -6.858) 7.438 30.314 ( 0.000 -3.039 3.942) 4.978 30.359 ( 0.000 -2.975 -0.682) 3.052 ======================= Grid point 141 (50/60) ======================= q-point: ( 0.25 0.11 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.67e-09 3.67e-09 3.67e-09 3.67e-09 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.302 ( 6.579 17.873 3.464) 19.358 1.330 ( 0.003 19.249 2.379) 19.396 1.464 ( 3.416 27.916 7.908) 29.215 1.507 ( 3.044 28.565 7.425) 29.671 1.766 ( -0.723 8.652 0.394) 8.691 1.886 ( -0.832 -0.564 -12.855) 12.894 1.901 ( -9.062 12.036 1.174) 15.111 2.178 ( -9.408 15.950 -15.708) 24.283 2.322 ( 2.164 18.650 7.598) 20.255 2.386 ( -1.630 22.579 -1.835) 22.712 2.487 ( 5.869 8.757 6.214) 12.237 2.605 ( 4.569 -3.580 -1.471) 5.988 2.874 ( 3.217 16.509 11.577) 20.419 3.149 ( -9.387 18.668 -6.344) 21.837 3.362 ( 0.121 -0.098 16.001) 16.002 3.822 ( 4.374 -5.656 -19.003) 20.303 4.038 ( -4.777 10.863 8.776) 14.759 4.122 ( 1.596 39.301 -1.041) 39.347 4.262 ( -5.699 28.429 6.469) 29.707 4.405 ( -5.977 12.109 5.211) 14.475 4.550 ( -13.852 2.251 -20.653) 24.970 4.629 ( -7.545 -0.472 -7.499) 10.648 4.867 ( 21.865 7.481 19.253) 30.079 5.203 ( 12.624 1.084 -12.331) 17.680 5.636 ( 0.789 2.259 1.022) 2.602 5.676 ( -2.459 -6.487 -4.622) 8.336 5.841 ( 3.655 0.247 6.123) 7.135 6.028 ( 0.718 -0.513 -9.082) 9.125 6.148 ( -5.457 7.534 20.516) 22.527 6.358 ( -9.185 3.213 10.091) 14.019 6.640 ( 7.169 0.644 0.998) 7.267 6.977 ( -0.074 1.055 -19.250) 19.279 7.106 ( 2.200 -11.102 7.806) 13.749 7.148 ( -2.824 -1.948 2.097) 4.021 7.320 ( 6.372 3.731 -5.027) 8.932 7.366 ( 2.364 -6.791 -7.153) 10.142 7.629 ( 8.303 0.403 3.312) 8.948 7.649 ( 7.716 -1.566 5.708) 9.725 7.697 ( 3.861 -4.298 1.040) 5.871 7.895 ( -1.954 -3.792 -11.713) 12.466 8.070 ( 5.600 -1.835 2.148) 6.272 8.135 ( 5.893 -0.776 -4.867) 7.682 8.257 ( -5.558 0.286 2.636) 6.158 8.366 ( -5.792 0.424 -8.596) 10.374 8.700 ( 2.266 -8.687 2.064) 9.212 8.765 ( -0.322 -8.740 -3.772) 9.524 8.874 ( 2.768 0.327 3.519) 4.490 8.958 ( -0.201 1.188 -5.468) 5.599 9.268 ( -15.091 -4.918 3.991) 16.366 9.327 ( -18.708 -5.298 -1.774) 19.524 9.595 ( -4.722 -10.112 1.960) 11.331 9.636 ( -8.289 -7.773 -1.994) 11.537 10.115 ( 4.237 1.095 4.067) 5.975 10.132 ( 1.242 -2.290 4.798) 5.459 10.197 ( 2.148 1.209 -1.029) 2.671 10.232 ( 1.757 3.632 -3.416) 5.287 10.510 ( 1.272 4.225 4.733) 6.471 10.585 ( -1.075 3.458 -1.944) 4.110 10.672 ( 0.370 0.078 -0.613) 0.720 10.679 ( 0.140 -1.150 -1.114) 1.607 11.147 ( 7.722 -3.559 5.092) 9.911 11.216 ( 8.948 -8.340 -1.146) 12.286 11.530 ( -2.861 -4.688 6.551) 8.549 11.676 ( -5.092 -10.312 -7.144) 13.539 15.977 ( 0.628 15.035 1.046) 15.085 16.025 ( -1.274 18.516 -4.159) 19.020 19.355 ( -4.242 -4.243 11.084) 12.604 19.519 ( -12.273 -6.349 -5.354) 14.819 20.273 ( 10.445 0.390 2.890) 10.844 20.340 ( 10.901 -0.045 -3.892) 11.576 21.086 ( -3.324 -4.299 0.410) 5.450 21.130 ( -3.395 -4.596 -4.133) 7.051 21.501 ( 0.651 4.920 1.056) 5.074 21.534 ( -0.713 4.066 -1.259) 4.316 21.591 ( 1.255 -5.584 1.034) 5.816 21.642 ( -1.176 -6.242 -3.197) 7.112 28.051 ( 2.384 2.323 3.724) 4.995 28.088 ( 2.517 2.270 0.284) 3.401 28.586 ( -2.932 3.373 -3.437) 5.638 28.600 ( -3.046 3.925 -4.794) 6.904 29.711 ( 0.543 -2.200 2.845) 3.637 29.792 ( -2.652 -2.712 -5.101) 6.357 30.351 ( 2.898 -2.805 3.098) 5.086 30.382 ( 1.601 -2.800 0.062) 3.226 ======================= Grid point 142 (51/60) ======================= q-point: (-0.50 0.11 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.67e-09 3.67e-09 3.67e-09 3.67e-09 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 95 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.343 ( -2.465 30.842 2.528) 31.044 1.343 ( 2.465 30.842 2.528) 31.044 1.468 ( -4.715 18.793 8.443) 21.135 1.468 ( 4.715 18.793 8.443) 21.135 1.747 ( -7.860 11.070 -11.711) 17.929 1.747 ( 7.860 11.070 -11.711) 17.929 2.099 ( -14.337 7.872 -2.587) 16.560 2.099 ( 14.337 7.872 -2.587) 16.560 2.350 ( -2.596 20.020 -1.550) 20.247 2.350 ( 2.596 20.020 -1.550) 20.247 2.617 ( -6.901 -2.549 -0.659) 7.386 2.617 ( 6.901 -2.549 -0.659) 7.386 2.888 ( -5.236 18.137 6.836) 20.077 2.888 ( 5.236 18.137 6.836) 20.077 3.617 ( -17.792 -0.662 23.532) 29.509 3.617 ( 17.792 -0.662 23.532) 29.509 4.140 ( -4.608 18.165 -6.813) 19.940 4.140 ( 4.608 18.165 -6.813) 19.940 4.260 ( -10.898 22.129 -9.238) 26.340 4.260 ( 10.898 22.129 -9.238) 26.340 4.434 ( -7.277 5.939 -13.429) 16.388 4.434 ( 7.277 5.939 -13.429) 16.388 5.265 ( -12.274 9.418 7.296) 17.105 5.265 ( 12.274 9.418 7.296) 17.105 5.588 ( -3.202 -7.366 -0.668) 8.060 5.588 ( 3.202 -7.366 -0.668) 8.060 6.025 ( -3.065 1.827 1.455) 3.854 6.025 ( 3.065 1.827 1.455) 3.854 6.127 ( -9.888 8.992 7.418) 15.286 6.127 ( 9.888 8.992 7.418) 15.286 6.828 ( -10.282 -2.639 -0.607) 10.633 6.828 ( 10.282 -2.639 -0.607) 10.633 7.133 ( -0.910 -9.615 -4.409) 10.617 7.133 ( 0.910 -9.615 -4.409) 10.617 7.434 ( -2.686 -0.204 0.011) 2.693 7.434 ( 2.686 -0.204 0.011) 2.693 7.707 ( -1.616 -11.626 0.166) 11.739 7.707 ( 1.616 -11.626 0.166) 11.739 7.815 ( -5.231 5.808 0.521) 7.834 7.815 ( 5.231 5.808 0.521) 7.834 8.178 ( -2.248 0.138 -0.686) 2.354 8.178 ( 2.248 0.138 -0.686) 2.354 8.298 ( -7.001 -1.477 -7.321) 10.237 8.298 ( 7.001 -1.477 -7.321) 10.237 8.726 ( -1.845 -6.524 -1.085) 6.867 8.726 ( 1.845 -6.524 -1.085) 6.867 8.941 ( -5.099 1.524 1.805) 5.619 8.941 ( 5.099 1.524 1.805) 5.619 9.028 ( -4.563 2.510 -2.446) 5.754 9.028 ( 4.563 2.510 -2.446) 5.754 9.555 ( -0.559 -15.362 -0.451) 15.379 9.555 ( 0.559 -15.362 -0.451) 15.379 10.147 ( -0.956 -2.914 3.758) 4.851 10.147 ( 0.956 -2.914 3.758) 4.851 10.245 ( -1.911 5.451 0.255) 5.782 10.245 ( 1.911 5.451 0.255) 5.782 10.546 ( -2.291 1.948 0.620) 3.071 10.546 ( 2.291 1.948 0.620) 3.071 10.680 ( -0.184 1.411 -0.944) 1.707 10.680 ( 0.184 1.411 -0.944) 1.707 11.290 ( -4.190 -13.132 6.076) 15.064 11.290 ( 4.190 -13.132 6.076) 15.064 11.546 ( -6.122 -2.073 -4.707) 7.996 11.546 ( 6.122 -2.073 -4.707) 7.996 15.997 ( -1.298 16.442 -1.314) 16.546 15.997 ( 1.298 16.442 -1.314) 16.546 19.343 ( -4.093 -4.812 2.739) 6.886 19.343 ( 4.093 -4.812 2.739) 6.886 20.435 ( -2.917 1.495 0.199) 3.284 20.435 ( 2.917 1.495 0.199) 3.284 21.061 ( -1.905 -5.049 -1.889) 5.718 21.061 ( 1.905 -5.049 -1.889) 5.718 21.518 ( -0.890 4.866 0.088) 4.948 21.518 ( 0.890 4.866 0.088) 4.948 21.616 ( -1.262 -6.579 -1.629) 6.894 21.616 ( 1.262 -6.579 -1.629) 6.894 28.102 ( -1.565 0.931 1.619) 2.437 28.102 ( 1.565 0.931 1.619) 2.437 28.553 ( -0.574 3.915 -3.784) 5.474 28.553 ( 0.574 3.915 -3.784) 5.474 29.738 ( -2.181 -2.362 -1.201) 3.431 29.738 ( 2.181 -2.362 -1.201) 3.431 30.395 ( -0.789 -2.620 1.583) 3.161 30.395 ( 0.789 -2.620 1.583) 3.161 ======================= Grid point 145 (52/60) ======================= q-point: ( 0.00 0.22 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.67e-09 3.67e-09 3.67e-09 3.67e-09 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.195 ( 0.000 9.564 -6.769) 11.717 1.208 ( 0.000 -10.050 -7.593) 12.596 1.643 ( 0.000 0.258 17.246) 17.247 1.897 ( 0.000 -8.729 23.276) 24.859 2.108 ( 0.000 -0.586 -17.309) 17.319 2.354 ( 0.000 12.747 -7.438) 14.758 2.424 ( 0.000 6.389 8.897) 10.953 2.468 ( 0.000 41.808 2.741) 41.897 2.504 ( 0.000 5.445 1.396) 5.622 2.596 ( 0.000 35.092 -3.408) 35.257 2.865 ( 0.000 13.082 -9.518) 16.179 2.879 ( 0.000 22.019 -7.787) 23.356 3.312 ( 0.000 23.759 29.781) 38.098 3.533 ( 0.000 19.583 0.123) 19.583 3.649 ( 0.000 8.255 -10.177) 13.104 3.894 ( 0.000 26.082 -21.693) 33.924 4.226 ( 0.000 -4.884 4.844) 6.879 4.309 ( 0.000 -7.858 2.500) 8.246 4.455 ( 0.000 6.221 17.073) 18.171 4.648 ( 0.000 -3.172 -5.271) 6.152 4.813 ( 0.000 4.260 -13.648) 14.297 4.817 ( 0.000 10.237 -13.344) 16.818 4.981 ( 0.000 10.343 4.562) 11.305 5.140 ( 0.000 7.230 -7.613) 10.499 5.694 ( 0.000 8.149 7.264) 10.917 5.815 ( 0.000 28.005 0.667) 28.013 5.945 ( 0.000 11.994 17.568) 21.272 6.149 ( 0.000 9.025 10.025) 13.489 6.307 ( 0.000 10.360 -8.499) 13.400 6.499 ( 0.000 -5.034 -4.933) 7.048 6.626 ( 0.000 7.989 3.428) 8.693 6.699 ( 0.000 -10.736 11.167) 15.491 7.060 ( 0.000 -16.080 -8.903) 18.380 7.088 ( 0.000 -6.034 -13.553) 14.835 7.291 ( 0.000 -7.250 4.861) 8.729 7.341 ( 0.000 -1.847 0.115) 1.851 7.477 ( 0.000 1.834 -0.745) 1.980 7.497 ( 0.000 -9.807 -5.390) 11.191 7.610 ( 0.000 6.766 3.155) 7.466 7.655 ( 0.000 5.388 3.428) 6.386 8.121 ( 0.000 3.777 2.293) 4.418 8.221 ( 0.000 8.338 -9.360) 12.535 8.268 ( 0.000 -5.008 4.971) 7.056 8.369 ( 0.000 -6.234 -5.631) 8.401 8.441 ( 0.000 -11.113 2.622) 11.418 8.542 ( 0.000 -12.021 -6.671) 13.747 8.821 ( 0.000 -1.563 6.104) 6.301 8.957 ( 0.000 -0.592 -7.422) 7.446 9.192 ( 0.000 -7.913 8.090) 11.317 9.373 ( 0.000 -1.281 -9.573) 9.658 9.723 ( 0.000 -1.899 7.447) 7.685 9.757 ( 0.000 1.354 2.479) 2.824 10.013 ( 0.000 -5.562 3.316) 6.475 10.066 ( 0.000 -5.041 -2.029) 5.434 10.144 ( 0.000 -1.182 0.725) 1.387 10.205 ( 0.000 -3.198 -4.147) 5.237 10.433 ( 0.000 -7.481 1.536) 7.637 10.501 ( 0.000 -9.016 -3.092) 9.531 10.594 ( 0.000 -5.075 -0.032) 5.075 10.655 ( 0.000 -7.570 -3.930) 8.529 11.026 ( 0.000 -0.233 6.358) 6.363 11.135 ( 0.000 2.314 -3.521) 4.213 11.422 ( 0.000 -6.056 3.264) 6.879 11.450 ( 0.000 -13.255 -0.324) 13.259 16.370 ( 0.000 25.648 2.952) 25.818 16.526 ( 0.000 28.890 -13.706) 31.977 19.254 ( 0.000 -14.643 10.544) 18.044 19.411 ( 0.000 -23.416 -5.246) 23.997 20.132 ( 0.000 -0.160 0.981) 0.994 20.150 ( 0.000 -0.410 -0.580) 0.710 21.007 ( 0.000 -8.132 -2.032) 8.382 21.021 ( 0.000 -7.734 -2.677) 8.185 21.520 ( 0.000 2.062 1.431) 2.510 21.555 ( 0.000 -0.324 -2.070) 2.095 21.626 ( 0.000 6.149 2.055) 6.483 21.689 ( 0.000 6.274 -3.655) 7.261 28.135 ( 0.000 7.076 0.275) 7.081 28.138 ( 0.000 6.006 0.279) 6.013 28.737 ( 0.000 8.197 -2.342) 8.525 28.748 ( 0.000 7.890 -3.832) 8.771 29.634 ( 0.000 -5.464 4.184) 6.882 29.733 ( 0.000 -6.511 -5.802) 8.721 30.224 ( 0.000 -6.256 3.879) 7.362 30.270 ( 0.000 -6.292 -0.828) 6.346 ======================= Grid point 146 (53/60) ======================= q-point: ( 0.25 0.22 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.67e-09 3.67e-09 3.67e-09 3.67e-09 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.216 ( 4.281 -6.458 4.927) 9.182 1.342 ( 11.140 3.122 -7.909) 14.014 1.825 ( 11.426 1.419 -2.545) 11.792 1.885 ( -9.603 4.539 -2.091) 10.826 2.051 ( 2.862 -2.132 21.751) 22.042 2.359 ( -3.182 18.084 -1.759) 18.446 2.385 ( -2.497 21.336 4.118) 21.873 2.432 ( 0.988 4.663 2.052) 5.190 2.510 ( 1.796 31.746 3.236) 31.961 2.626 ( -1.038 21.523 -1.715) 21.616 2.768 ( -9.333 17.352 -7.453) 21.065 2.840 ( 1.665 10.873 -13.555) 17.457 3.245 ( -6.086 13.137 12.412) 19.070 3.437 ( -12.929 16.524 -8.806) 22.754 3.626 ( 4.257 23.090 9.229) 25.228 3.814 ( 2.317 8.516 -3.757) 9.592 4.006 ( -12.077 5.160 7.361) 15.056 4.240 ( -12.542 -11.927 -15.676) 23.351 4.524 ( -3.649 3.550 -5.379) 7.407 4.598 ( -4.643 5.286 -6.800) 9.784 4.935 ( 16.743 13.166 7.987) 22.748 5.027 ( 12.457 21.638 0.698) 24.978 5.172 ( 9.342 17.759 -2.291) 20.196 5.224 ( 13.679 -1.020 -6.807) 15.314 5.647 ( -5.492 4.402 7.016) 9.938 5.808 ( -5.292 16.045 -5.126) 17.656 5.982 ( 9.087 19.955 9.504) 23.898 6.131 ( -6.597 8.554 -1.971) 10.980 6.265 ( 6.122 7.652 9.470) 13.628 6.396 ( -8.180 -2.385 8.277) 11.879 6.705 ( -0.012 5.295 3.408) 6.297 6.795 ( 2.592 -12.760 8.779) 15.704 6.982 ( -2.367 -11.225 -11.208) 16.038 7.040 ( -5.223 -1.957 -15.952) 16.899 7.260 ( 1.061 -8.993 5.408) 10.547 7.365 ( 1.162 -10.095 -3.884) 10.878 7.439 ( -4.059 -8.259 1.936) 9.404 7.461 ( 4.189 -1.284 -1.372) 4.591 7.757 ( 10.283 6.125 5.974) 13.377 7.887 ( 11.646 4.659 -4.038) 13.177 8.056 ( -1.924 -0.957 5.606) 6.003 8.160 ( -0.357 -0.730 -4.459) 4.532 8.300 ( -1.508 2.958 -3.499) 4.824 8.376 ( 2.417 0.808 -8.194) 8.581 8.514 ( 4.594 -9.240 1.300) 10.400 8.572 ( 1.814 -9.044 -3.841) 9.992 8.865 ( 3.810 -1.283 6.439) 7.591 8.974 ( 1.031 0.546 -4.534) 4.681 9.118 ( -6.927 -6.269 7.267) 11.836 9.276 ( -7.575 -0.251 -7.742) 10.834 9.517 ( -13.789 0.004 3.697) 14.276 9.611 ( -13.757 2.086 -5.022) 14.793 10.051 ( 0.434 -4.717 5.146) 6.994 10.072 ( 1.480 -5.648 2.326) 6.285 10.130 ( 0.262 -8.717 1.057) 8.785 10.188 ( -1.023 -8.643 -3.143) 9.253 10.498 ( 4.932 -1.313 1.616) 5.353 10.581 ( 3.367 -2.191 -5.986) 7.208 10.602 ( 3.147 -6.987 3.773) 8.541 10.687 ( 3.110 -5.763 -4.218) 7.790 10.985 ( -3.466 -7.632 6.264) 10.464 11.087 ( -5.281 -5.756 -3.411) 8.523 11.453 ( 3.557 -4.251 3.444) 6.526 11.498 ( 2.648 -6.186 -1.432) 6.879 16.384 ( 1.413 25.947 0.857) 25.999 16.494 ( -2.901 28.257 -10.816) 30.395 19.191 ( -3.979 -13.690 7.395) 16.060 19.288 ( -8.472 -18.517 -2.341) 20.497 20.275 ( 11.922 -0.347 2.822) 12.256 20.330 ( 12.805 -1.099 -2.555) 13.104 20.950 ( -5.090 -8.066 -0.077) 9.538 20.978 ( -4.243 -9.818 -3.305) 11.195 21.514 ( -0.301 0.822 0.559) 1.039 21.543 ( -1.100 -0.726 -2.128) 2.503 21.629 ( 0.432 6.129 0.993) 6.224 21.674 ( -1.287 6.247 -2.981) 7.041 28.128 ( 0.479 5.843 1.506) 6.053 28.159 ( 0.612 5.277 -1.341) 5.478 28.691 ( -3.105 7.314 -1.859) 8.160 28.712 ( -3.099 7.460 -3.986) 9.008 29.643 ( 0.841 -4.745 2.639) 5.494 29.710 ( -1.915 -5.546 -4.162) 7.193 30.267 ( 3.263 -6.026 3.032) 7.494 30.297 ( 1.917 -6.099 0.017) 6.393 ======================= Grid point 147 (54/60) ======================= q-point: (-0.50 0.22 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.67e-09 3.67e-09 3.67e-09 3.67e-09 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 95 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.405 ( -10.100 0.411 6.212) 11.864 1.405 ( 10.100 0.411 6.212) 11.864 1.786 ( -7.758 5.383 -6.734) 11.598 1.786 ( 7.759 5.383 -6.734) 11.598 2.221 ( -10.008 9.023 5.090) 14.404 2.221 ( 10.008 9.023 5.090) 14.404 2.450 ( -6.973 -0.570 -3.316) 7.743 2.450 ( 6.973 -0.570 -3.316) 7.743 2.533 ( -3.630 38.237 -0.141) 38.409 2.533 ( 3.630 38.237 -0.141) 38.409 2.787 ( -12.865 12.027 7.903) 19.303 2.787 ( 12.865 12.027 7.903) 19.303 3.216 ( -7.697 12.656 -6.972) 16.371 3.216 ( 7.697 12.656 -6.972) 16.371 3.770 ( -10.342 16.511 12.505) 23.150 3.770 ( 10.342 16.511 12.505) 23.150 3.979 ( -11.610 -5.285 -13.009) 18.220 3.979 ( 11.610 -5.285 -13.009) 18.220 4.504 ( -2.867 4.667 -7.464) 9.258 4.504 ( 2.867 4.667 -7.464) 9.258 5.099 ( -3.507 28.465 2.232) 28.767 5.099 ( 3.507 28.465 2.232) 28.767 5.471 ( -7.105 6.538 1.790) 9.820 5.471 ( 7.105 6.538 1.790) 9.820 5.563 ( -14.672 8.389 -3.061) 17.176 5.563 ( 14.672 8.389 -3.061) 17.176 6.156 ( -4.948 8.948 10.572) 14.708 6.156 ( 4.948 8.948 10.572) 14.708 6.270 ( -8.800 8.373 1.789) 12.278 6.270 ( 8.800 8.373 1.789) 12.278 6.705 ( -6.287 -8.203 6.743) 12.340 6.705 ( 6.287 -8.203 6.743) 12.340 6.994 ( -1.591 -3.551 -15.385) 15.870 6.994 ( 1.591 -3.551 -15.385) 15.870 7.330 ( -4.334 -18.900 5.271) 20.094 7.330 ( 4.334 -18.900 5.271) 20.094 7.468 ( -4.879 -0.984 0.847) 5.049 7.468 ( 4.879 -0.984 0.847) 5.049 7.893 ( -4.191 1.919 1.199) 4.763 7.893 ( 4.191 1.919 1.199) 4.763 8.189 ( -4.677 1.559 2.370) 5.470 8.189 ( 4.677 1.559 2.370) 5.470 8.341 ( -11.164 3.477 -13.049) 17.521 8.341 ( 11.164 3.477 -13.049) 17.521 8.568 ( -1.159 -7.302 0.422) 7.405 8.568 ( 1.159 -7.302 0.422) 7.405 8.953 ( -6.702 -0.522 7.971) 10.427 8.953 ( 6.702 -0.522 7.971) 10.427 9.083 ( -11.226 2.386 -2.826) 11.819 9.083 ( 11.226 2.386 -2.826) 11.819 9.393 ( -4.712 -1.520 -6.046) 7.814 9.393 ( 4.712 -1.520 -6.046) 7.814 10.063 ( -1.544 -5.275 3.373) 6.449 10.063 ( 1.544 -5.275 3.373) 6.449 10.164 ( -1.864 -12.103 0.702) 12.266 10.164 ( 1.864 -12.103 0.702) 12.266 10.570 ( -2.001 -0.871 -0.158) 2.188 10.570 ( 2.001 -0.871 -0.158) 2.188 10.718 ( -3.197 1.222 -1.528) 3.748 10.718 ( 3.197 1.222 -1.528) 3.748 10.964 ( -4.121 -16.475 1.338) 17.035 10.964 ( 4.121 -16.475 1.338) 17.035 11.515 ( -1.410 -2.354 0.241) 2.755 11.515 ( 1.410 -2.354 0.241) 2.755 16.429 ( -2.996 26.931 -4.585) 27.482 16.429 ( 2.996 26.931 -4.585) 27.482 19.168 ( -2.467 -14.344 2.263) 14.730 19.168 ( 2.467 -14.344 2.263) 14.730 20.471 ( -2.986 2.071 0.686) 3.698 20.471 ( 2.986 2.071 0.686) 3.698 20.886 ( -1.953 -12.014 -1.504) 12.264 20.886 ( 1.953 -12.014 -1.504) 12.264 21.519 ( -0.919 -0.749 -1.260) 1.730 21.519 ( 0.919 -0.749 -1.260) 1.730 21.646 ( -1.210 6.132 -1.181) 6.361 21.646 ( 1.210 6.132 -1.181) 6.361 28.151 ( -1.255 4.486 -0.061) 4.659 28.151 ( 1.255 4.486 -0.061) 4.659 28.663 ( -0.857 6.925 -2.825) 7.528 28.663 ( 0.857 6.925 -2.825) 7.528 29.670 ( -1.803 -4.404 -0.746) 4.817 29.670 ( 1.803 -4.404 -0.746) 4.817 30.314 ( -0.757 -5.850 1.568) 6.103 30.314 ( 0.757 -5.850 1.568) 6.103 ======================= Grid point 150 (55/60) ======================= q-point: ( 0.00 0.33 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.67e-09 3.67e-09 3.67e-09 3.67e-09 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.125 ( 0.000 3.502 11.647) 12.163 1.469 ( 0.000 16.064 -14.116) 21.384 1.673 ( 0.000 -12.050 18.118) 21.759 1.699 ( 0.000 5.659 1.286) 5.803 1.983 ( 0.000 -8.233 -14.914) 17.035 2.251 ( 0.000 -18.545 -25.804) 31.777 2.349 ( 0.000 -9.414 19.756) 21.885 2.587 ( 0.000 1.423 -2.808) 3.148 2.873 ( 0.000 -1.499 2.660) 3.053 3.030 ( 0.000 12.936 -9.236) 15.894 3.399 ( 0.000 31.233 3.231) 31.399 3.433 ( 0.000 39.641 -0.350) 39.643 3.594 ( 0.000 7.483 24.045) 25.182 3.919 ( 0.000 10.258 -9.588) 14.042 4.007 ( 0.000 18.919 2.542) 19.089 4.097 ( 0.000 -3.843 1.958) 4.313 4.259 ( 0.000 5.776 -10.659) 12.123 4.261 ( 0.000 8.850 -15.122) 17.521 4.559 ( 0.000 -4.159 3.979) 5.756 4.610 ( 0.000 6.713 12.964) 14.599 4.814 ( 0.000 0.809 -2.012) 2.168 5.021 ( 0.000 2.888 5.079) 5.843 5.119 ( 0.000 18.101 -19.410) 26.540 5.205 ( 0.000 6.209 -8.739) 10.720 5.838 ( 0.000 1.496 13.661) 13.742 6.010 ( 0.000 -11.021 1.315) 11.100 6.179 ( 0.000 -11.796 13.948) 18.267 6.279 ( 0.000 7.401 5.236) 9.066 6.447 ( 0.000 7.674 -5.068) 9.196 6.498 ( 0.000 6.631 -2.395) 7.050 6.586 ( 0.000 1.377 -8.409) 8.521 6.622 ( 0.000 -11.785 -7.898) 14.186 6.874 ( 0.000 6.295 0.575) 6.321 6.989 ( 0.000 -1.459 -8.799) 8.919 7.174 ( 0.000 -4.843 6.382) 8.012 7.253 ( 0.000 -1.394 -0.846) 1.631 7.549 ( 0.000 8.333 5.133) 9.787 7.554 ( 0.000 10.764 2.867) 11.139 7.822 ( 0.000 9.788 2.969) 10.229 7.883 ( 0.000 14.564 2.511) 14.779 8.150 ( 0.000 -1.262 6.920) 7.034 8.154 ( 0.000 -14.040 0.913) 14.070 8.207 ( 0.000 -0.285 -2.246) 2.263 8.252 ( 0.000 -5.419 -4.237) 6.878 8.337 ( 0.000 -4.880 -4.835) 6.870 8.349 ( 0.000 -0.674 -4.686) 4.734 8.816 ( 0.000 2.316 1.711) 2.880 8.922 ( 0.000 -4.055 -6.822) 7.936 9.123 ( 0.000 0.848 13.622) 13.648 9.407 ( 0.000 2.637 -12.891) 13.158 9.659 ( 0.000 -6.262 10.729) 12.423 9.769 ( 0.000 -1.411 -0.210) 1.427 9.801 ( 0.000 -14.173 4.536) 14.882 9.837 ( 0.000 -17.300 0.964) 17.327 10.108 ( 0.000 -2.270 1.380) 2.657 10.121 ( 0.000 -3.706 -0.334) 3.721 10.360 ( 0.000 -0.957 -2.929) 3.081 10.395 ( 0.000 -1.654 -0.873) 1.870 10.485 ( 0.000 -5.429 -3.849) 6.655 10.493 ( 0.000 -2.691 -10.460) 10.801 11.030 ( 0.000 -0.025 1.973) 1.973 11.099 ( 0.000 -4.403 -4.682) 6.427 11.259 ( 0.000 -8.040 5.064) 9.502 11.309 ( 0.000 -6.955 0.187) 6.958 16.924 ( 0.000 30.588 3.031) 30.738 17.108 ( 0.000 30.493 -16.151) 34.506 18.840 ( 0.000 -33.557 0.486) 33.560 18.848 ( 0.000 -26.421 0.155) 26.421 20.131 ( 0.000 0.002 0.571) 0.571 20.142 ( 0.000 -0.408 -0.397) 0.570 20.888 ( 0.000 -3.139 -0.303) 3.153 20.924 ( 0.000 -2.497 -2.709) 3.684 21.593 ( 0.000 3.532 -0.066) 3.532 21.599 ( 0.000 5.277 -0.573) 5.309 21.717 ( 0.000 2.800 3.070) 4.155 21.785 ( 0.000 2.921 -3.251) 4.370 28.277 ( 0.000 8.084 0.077) 8.085 28.296 ( 0.000 8.960 -2.085) 9.199 28.927 ( 0.000 10.460 -1.148) 10.523 28.933 ( 0.000 10.323 -2.192) 10.553 29.508 ( 0.000 -6.622 3.073) 7.300 29.583 ( 0.000 -8.161 -4.524) 9.331 30.075 ( 0.000 -8.824 3.234) 9.397 30.116 ( 0.000 -9.397 -1.066) 9.457 ======================= Grid point 151 (56/60) ======================= q-point: ( 0.25 0.33 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.67e-09 3.67e-09 3.67e-09 3.67e-09 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.180 ( 9.357 4.269 4.705) 11.310 1.496 ( 0.410 11.162 -23.564) 26.077 1.824 ( 12.832 -14.049 24.882) 31.323 1.878 ( 11.784 3.240 5.018) 13.211 1.945 ( -1.178 -1.493 -4.226) 4.635 2.302 ( -3.928 -9.464 14.226) 17.532 2.457 ( 11.422 -10.461 -15.322) 21.787 2.505 ( -6.008 5.812 2.958) 8.867 2.675 ( -11.510 -10.881 -7.647) 17.589 2.860 ( -12.348 5.819 -11.780) 18.030 3.315 ( -8.147 20.627 3.234) 22.412 3.351 ( -12.675 17.480 0.952) 21.612 3.465 ( -3.390 28.490 7.376) 29.624 3.699 ( -15.953 6.528 -14.606) 22.593 4.014 ( 2.122 15.593 5.663) 16.725 4.084 ( -0.036 17.898 -1.009) 17.926 4.173 ( -0.832 10.818 -0.026) 10.850 4.278 ( -0.031 15.124 -3.666) 15.562 4.582 ( -2.887 2.499 4.621) 5.995 4.713 ( -1.172 5.380 -6.316) 8.379 5.080 ( 14.553 -9.215 2.922) 17.472 5.137 ( 14.780 7.569 12.315) 20.673 5.197 ( 15.581 -0.523 -8.073) 17.556 5.441 ( 15.806 16.561 -15.547) 27.674 5.789 ( -6.888 6.271 12.387) 15.498 5.975 ( 0.500 -11.998 3.662) 12.554 6.204 ( -4.310 -5.184 -1.489) 6.904 6.218 ( -3.796 -10.343 2.700) 11.343 6.265 ( -15.808 11.134 -6.929) 20.540 6.451 ( 7.151 5.496 -8.466) 12.370 6.626 ( 5.697 -4.232 7.321) 10.196 6.753 ( 3.106 -4.343 -2.931) 6.091 6.876 ( -3.086 6.893 7.472) 10.624 7.022 ( -0.529 -0.701 -4.177) 4.268 7.091 ( -4.092 -5.000 4.149) 7.678 7.196 ( -8.182 0.555 -5.076) 9.645 7.513 ( 1.384 9.982 5.134) 11.310 7.587 ( 5.349 14.145 -1.634) 15.211 7.906 ( 2.775 5.281 3.467) 6.900 7.958 ( -5.801 1.598 -0.624) 6.050 8.063 ( 5.707 1.590 1.223) 6.049 8.121 ( 4.436 -0.054 -4.826) 6.555 8.173 ( -0.003 -12.407 2.910) 12.744 8.288 ( 2.303 -9.453 -6.312) 11.598 8.459 ( 11.070 4.002 5.088) 12.824 8.586 ( 11.130 5.867 -4.066) 13.222 8.834 ( 0.850 -0.178 7.026) 7.079 8.953 ( 2.637 -4.168 -3.721) 6.178 9.078 ( -5.105 2.926 10.077) 11.670 9.311 ( -7.026 2.423 -9.339) 11.935 9.515 ( -12.861 -2.143 4.431) 13.771 9.644 ( -10.570 -1.630 -6.757) 12.651 9.821 ( 1.518 -16.235 4.037) 16.798 9.844 ( 0.689 -17.107 1.354) 17.175 9.985 ( -6.391 -3.786 2.469) 7.828 10.049 ( -4.809 -5.056 -2.211) 7.320 10.428 ( 2.402 -5.181 1.104) 5.816 10.484 ( 0.787 -6.518 -3.964) 7.669 10.518 ( 10.456 -0.130 -1.071) 10.511 10.583 ( 6.937 0.192 -7.532) 10.242 10.933 ( -7.291 0.005 2.327) 7.654 10.994 ( -8.650 -2.930 -3.639) 9.831 11.337 ( 5.456 -8.151 3.652) 10.466 11.377 ( 3.909 -8.348 -0.530) 9.233 16.941 ( 1.750 30.656 0.523) 30.710 17.071 ( -3.340 30.585 -12.967) 33.388 18.802 ( -2.760 -28.989 0.631) 29.127 18.809 ( -2.885 -26.658 -0.137) 26.815 20.262 ( 12.248 -0.623 1.895) 12.410 20.302 ( 13.216 -1.572 -1.912) 13.445 20.830 ( -6.299 -4.310 -1.142) 7.718 20.842 ( -7.803 -3.018 -1.402) 8.483 21.573 ( -1.292 4.240 -0.271) 4.441 21.584 ( -1.456 4.454 -0.912) 4.774 21.718 ( 0.316 2.517 2.033) 3.250 21.767 ( -1.545 2.699 -2.479) 3.977 28.273 ( 0.022 8.850 0.236) 8.853 28.298 ( -0.154 8.868 -2.284) 9.159 28.837 ( -5.963 5.999 -0.735) 8.490 28.858 ( -5.915 5.999 -3.020) 8.949 29.557 ( 3.388 -2.504 1.930) 4.633 29.606 ( 1.278 -3.703 -3.034) 4.955 30.117 ( 3.257 -9.316 2.504) 10.182 30.143 ( 2.020 -9.698 -0.198) 9.909 ======================= Grid point 152 (57/60) ======================= q-point: (-0.50 0.33 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.67e-09 3.67e-09 3.67e-09 3.67e-09 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 95 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.440 ( -10.165 3.792 -11.055) 15.490 1.440 ( 10.165 3.792 -11.055) 15.490 1.915 ( -1.697 5.706 9.942) 11.588 1.915 ( 1.697 5.706 9.942) 11.588 2.133 ( -14.189 -11.509 15.993) 24.281 2.133 ( 14.189 -11.509 15.993) 24.281 2.428 ( -3.662 3.650 0.837) 5.238 2.428 ( 3.662 3.650 0.837) 5.238 2.793 ( -4.487 -11.428 -19.883) 23.368 2.793 ( 4.487 -11.428 -19.883) 23.368 3.115 ( -3.913 1.982 -1.894) 4.778 3.115 ( 3.913 1.982 -1.894) 4.778 3.478 ( -4.399 31.801 -3.543) 32.298 3.478 ( 4.399 31.801 -3.543) 32.298 4.082 ( -1.625 18.041 -0.918) 18.138 4.082 ( 1.625 18.041 -0.918) 18.138 4.221 ( -6.200 19.715 7.719) 22.062 4.221 ( 6.200 19.715 7.719) 22.062 4.594 ( -6.132 4.161 -7.207) 10.337 4.594 ( 6.132 4.161 -7.207) 10.337 5.270 ( -3.097 -7.218 7.558) 10.901 5.270 ( 3.097 -7.218 7.558) 10.901 5.578 ( -14.757 6.268 6.284) 17.221 5.578 ( 14.757 6.268 6.284) 17.221 5.818 ( -20.177 11.571 -13.193) 26.741 5.818 ( 20.177 11.571 -13.193) 26.741 6.040 ( -3.710 -10.324 -4.201) 11.747 6.040 ( 3.710 -10.324 -4.201) 11.747 6.448 ( -16.395 -0.805 12.009) 20.338 6.448 ( 16.395 -0.805 12.009) 20.338 6.683 ( -10.674 -0.316 -5.792) 12.148 6.683 ( 10.674 -0.316 -5.792) 12.148 6.938 ( -6.171 1.801 5.000) 8.144 6.938 ( 6.171 1.801 5.000) 8.144 7.065 ( -0.957 -4.155 -4.755) 6.387 7.065 ( 0.957 -4.155 -4.755) 6.387 7.602 ( -4.842 14.482 4.469) 15.910 7.602 ( 4.842 14.482 4.469) 15.910 7.892 ( -2.956 -1.294 -3.398) 4.686 7.892 ( 2.956 -1.294 -3.398) 4.686 8.142 ( -2.782 -9.730 1.778) 10.275 8.142 ( 2.782 -9.730 1.778) 10.275 8.345 ( -2.351 1.761 -2.955) 4.167 8.345 ( 2.351 1.761 -2.955) 4.167 8.609 ( -6.490 9.311 -0.919) 11.387 8.609 ( 6.490 9.311 -0.919) 11.387 8.922 ( -6.019 -2.460 12.642) 14.216 8.922 ( 6.019 -2.460 12.642) 14.216 9.098 ( -14.013 -1.051 -0.281) 14.055 9.098 ( 14.013 -1.051 -0.281) 14.055 9.428 ( -7.607 1.798 -11.731) 14.097 9.428 ( 7.607 1.798 -11.731) 14.097 9.849 ( -0.937 -16.319 2.558) 16.545 9.849 ( 0.937 -16.319 2.558) 16.545 9.958 ( -3.129 -6.624 0.798) 7.369 9.958 ( 3.129 -6.624 0.798) 7.369 10.471 ( -1.560 -5.816 -0.949) 6.096 10.471 ( 1.560 -5.816 -0.949) 6.096 10.706 ( -0.652 -2.912 -3.945) 4.947 10.706 ( 0.652 -2.912 -3.945) 4.947 10.819 ( -3.007 1.725 0.160) 3.471 10.819 ( 3.007 1.725 0.160) 3.471 11.411 ( -1.084 -8.997 1.005) 9.118 11.411 ( 1.084 -8.997 1.005) 9.118 16.996 ( -3.563 30.704 -5.885) 31.465 16.996 ( 3.563 30.704 -5.885) 31.465 18.771 ( -0.267 -26.069 0.140) 26.070 18.771 ( 0.267 -26.069 0.140) 26.070 20.510 ( -3.945 1.799 0.934) 4.435 20.510 ( 3.945 1.799 0.934) 4.435 20.679 ( -2.546 -7.909 -2.061) 8.560 20.679 ( 2.546 -7.909 -2.061) 8.560 21.561 ( -0.358 4.234 -0.852) 4.333 21.561 ( 0.358 4.234 -0.852) 4.333 21.735 ( -1.360 2.421 -0.348) 2.799 21.735 ( 1.360 2.422 -0.348) 2.799 28.285 ( -0.952 9.321 -0.977) 9.421 28.285 ( 0.952 9.321 -0.977) 9.421 28.775 ( -0.854 2.730 -2.134) 3.568 28.775 ( 0.854 2.730 -2.134) 3.568 29.607 ( -1.275 -0.245 -0.421) 1.365 29.607 ( 1.275 -0.245 -0.421) 1.365 30.164 ( -0.631 -9.725 1.245) 9.825 30.164 ( 0.631 -9.725 1.245) 9.825 ======================= Grid point 155 (58/60) ======================= q-point: ( 0.00 0.44 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.67e-09 3.67e-09 3.67e-09 3.67e-09 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.339 ( 0.000 16.391 14.104) 21.624 1.568 ( 0.000 4.570 3.358) 5.671 1.638 ( 0.000 -2.919 3.191) 4.325 1.752 ( 0.000 -12.048 -25.479) 28.184 1.843 ( 0.000 -5.480 -7.323) 9.146 1.869 ( 0.000 -10.565 3.489) 11.126 2.208 ( 0.000 6.311 -8.888) 10.900 2.475 ( 0.000 -12.937 -16.718) 21.139 3.004 ( 0.000 13.274 14.386) 19.574 3.192 ( 0.000 1.403 -1.840) 2.313 3.561 ( 0.000 -7.005 8.619) 11.107 3.597 ( 0.000 -4.715 10.452) 11.467 4.071 ( 0.000 23.622 1.114) 23.649 4.135 ( 0.000 20.171 -1.488) 20.225 4.240 ( 0.000 4.124 -0.188) 4.129 4.242 ( 0.000 6.758 4.705) 8.235 4.314 ( 0.000 -2.374 -11.069) 11.321 4.357 ( 0.000 3.964 -8.053) 8.976 4.492 ( 0.000 -4.363 2.203) 4.887 4.525 ( 0.000 -10.585 0.443) 10.594 5.035 ( 0.000 15.309 17.588) 23.317 5.120 ( 0.000 6.489 4.996) 8.190 5.399 ( 0.000 12.070 -19.678) 23.085 5.446 ( 0.000 10.049 -18.195) 20.786 5.643 ( 0.000 -17.997 -1.678) 18.075 5.660 ( 0.000 -14.434 -0.018) 14.434 5.929 ( 0.000 -7.312 -1.542) 7.473 6.098 ( 0.000 -18.215 -14.122) 23.048 6.579 ( 0.000 5.633 8.590) 10.272 6.592 ( 0.000 6.135 7.570) 9.744 6.650 ( 0.000 6.511 3.209) 7.259 6.701 ( 0.000 3.503 -2.793) 4.481 7.020 ( 0.000 4.579 1.219) 4.738 7.039 ( 0.000 2.331 0.060) 2.332 7.098 ( 0.000 -0.150 3.119) 3.122 7.177 ( 0.000 -5.000 -4.083) 6.455 7.703 ( 0.000 5.248 10.730) 11.944 7.821 ( 0.000 8.266 2.652) 8.681 7.885 ( 0.000 -8.277 1.793) 8.469 7.910 ( 0.000 3.507 -1.708) 3.901 8.064 ( 0.000 -1.972 -8.284) 8.516 8.084 ( 0.000 -5.089 -5.236) 7.301 8.154 ( 0.000 0.320 7.078) 7.085 8.251 ( 0.000 -3.832 -1.323) 4.054 8.292 ( 0.000 11.413 11.124) 15.937 8.493 ( 0.000 4.542 -8.393) 9.543 8.847 ( 0.000 3.130 3.130) 4.427 8.916 ( 0.000 6.040 -4.997) 7.839 9.156 ( 0.000 -1.198 6.467) 6.577 9.272 ( 0.000 -18.488 -3.570) 18.829 9.487 ( 0.000 -3.639 8.648) 9.382 9.502 ( 0.000 -9.809 5.035) 11.026 9.703 ( 0.000 1.229 1.844) 2.216 9.747 ( 0.000 -2.285 -0.738) 2.401 10.065 ( 0.000 -1.473 1.290) 1.958 10.068 ( 0.000 -1.722 0.390) 1.765 10.374 ( 0.000 1.429 -0.317) 1.464 10.384 ( 0.000 -0.063 0.428) 0.432 10.478 ( 0.000 3.587 -8.607) 9.324 10.519 ( 0.000 1.964 -15.085) 15.213 11.034 ( 0.000 -0.721 0.632) 0.959 11.039 ( 0.000 1.250 -0.691) 1.428 11.111 ( 0.000 -5.932 1.092) 6.031 11.140 ( 0.000 -9.263 -1.076) 9.326 17.533 ( 0.000 32.215 2.494) 32.312 17.696 ( 0.000 30.232 -14.106) 33.360 18.176 ( 0.000 -34.026 2.160) 34.094 18.286 ( 0.000 -30.342 -8.702) 31.565 20.132 ( 0.000 0.108 0.227) 0.252 20.135 ( 0.000 -0.259 -0.087) 0.273 20.874 ( 0.000 0.833 0.937) 1.254 20.895 ( 0.000 -1.098 -0.682) 1.293 21.665 ( 0.000 3.384 1.051) 3.544 21.691 ( 0.000 2.554 -1.372) 2.899 21.742 ( 0.000 1.252 2.364) 2.675 21.793 ( 0.000 -1.946 -2.281) 2.998 28.423 ( 0.000 5.677 -0.451) 5.694 28.440 ( 0.000 4.365 -2.260) 4.915 29.080 ( 0.000 3.651 -0.519) 3.688 29.080 ( 0.000 3.300 -0.644) 3.362 29.442 ( 0.000 0.780 0.647) 1.014 29.471 ( 0.000 -2.304 -2.135) 3.141 29.916 ( 0.000 -5.771 1.389) 5.936 29.936 ( 0.000 -7.520 -0.744) 7.556 ======================= Grid point 156 (59/60) ======================= q-point: ( 0.25 0.44 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.67e-09 3.67e-09 3.67e-09 3.67e-09 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.407 ( 7.217 17.962 9.245) 21.452 1.595 ( 7.575 -4.880 8.091) 12.110 1.628 ( -3.479 -1.584 -4.797) 6.135 1.868 ( 6.828 -15.210 13.611) 21.523 1.945 ( 13.369 4.601 -5.935) 15.334 2.046 ( 5.846 -10.444 -24.829) 27.563 2.213 ( 3.511 1.310 -10.879) 11.506 2.418 ( -4.497 -12.995 -16.227) 21.270 2.808 ( -14.038 15.953 14.604) 25.785 2.996 ( -15.169 4.617 -1.301) 15.909 3.266 ( -20.539 -7.711 4.074) 22.314 3.342 ( -21.097 -8.532 1.625) 22.815 4.069 ( 0.615 24.577 2.092) 24.674 4.111 ( -1.754 23.032 -1.842) 23.172 4.271 ( 6.406 10.704 7.273) 14.439 4.328 ( 4.644 1.135 1.619) 5.048 4.363 ( 0.438 1.309 -2.115) 2.526 4.404 ( 8.366 1.687 -3.505) 9.226 4.631 ( 3.058 -1.085 3.262) 4.601 4.678 ( 10.235 -6.193 -0.789) 11.989 5.037 ( 0.190 7.207 -0.166) 7.211 5.217 ( 1.587 4.785 3.422) 6.093 5.271 ( -2.244 2.179 -12.107) 12.504 5.568 ( -3.078 -15.469 -19.927) 25.413 5.658 ( 6.372 -2.154 6.288) 9.207 5.807 ( 19.619 -3.079 4.500) 20.362 5.952 ( 4.814 -4.576 -4.539) 8.045 6.124 ( 2.978 -7.969 -5.345) 10.047 6.410 ( -9.647 3.801 -2.152) 10.589 6.496 ( -15.222 3.873 -3.635) 16.123 6.669 ( -1.055 3.128 3.408) 4.744 6.734 ( 1.511 -0.331 -1.070) 1.881 6.944 ( -2.177 4.151 10.411) 11.418 7.018 ( -0.922 -2.012 3.664) 4.280 7.154 ( 2.294 5.803 0.446) 6.256 7.199 ( -1.772 0.549 -3.392) 3.866 7.694 ( 0.685 6.794 8.664) 11.031 7.843 ( 0.175 -0.325 -0.233) 0.436 7.874 ( -3.478 -7.471 0.600) 8.263 7.907 ( -6.573 -5.768 -2.351) 9.055 8.003 ( 9.589 7.776 -1.448) 12.431 8.066 ( 1.932 -0.011 -5.824) 6.136 8.263 ( 2.515 8.433 0.842) 8.840 8.267 ( 8.084 7.423 0.610) 10.992 8.489 ( 15.631 -2.683 10.128) 18.818 8.603 ( 6.025 -6.990 -0.292) 9.233 8.880 ( 3.245 6.792 5.594) 9.379 8.967 ( 3.134 8.146 -3.068) 9.251 9.170 ( -2.209 3.869 6.204) 7.638 9.277 ( -0.006 -15.110 -2.849) 15.376 9.326 ( -12.921 -5.653 5.869) 15.275 9.391 ( -11.705 -14.172 0.448) 18.386 9.677 ( -1.105 0.324 2.380) 2.644 9.709 ( 0.227 -1.622 0.387) 1.682 9.930 ( -9.309 -0.907 -3.047) 9.837 9.963 ( -7.063 -3.635 -4.192) 8.982 10.428 ( 2.923 3.775 -0.107) 4.776 10.475 ( 3.805 2.753 -2.652) 5.394 10.512 ( 4.694 0.444 -4.064) 6.225 10.585 ( 4.433 -1.944 -9.962) 11.076 10.973 ( -3.510 5.466 0.985) 6.570 10.999 ( -3.812 3.851 -1.635) 5.660 11.145 ( 2.356 -10.225 1.121) 10.553 11.166 ( 1.487 -12.296 -0.901) 12.418 17.549 ( 1.623 32.005 0.345) 32.048 17.664 ( -2.883 30.580 -11.281) 32.721 18.180 ( 0.563 -32.913 0.677) 32.925 18.256 ( -2.516 -30.246 -6.826) 31.109 20.260 ( 11.981 0.379 0.453) 11.996 20.275 ( 12.452 -1.144 -1.000) 12.544 20.798 ( -7.883 0.125 0.292) 7.889 20.810 ( -8.435 -0.925 -0.573) 8.505 21.656 ( -0.592 4.037 0.810) 4.160 21.682 ( -1.144 4.343 -1.619) 4.774 21.726 ( -0.739 -0.930 2.367) 2.648 21.769 ( -1.925 -2.290 -1.755) 3.469 28.445 ( 2.263 7.286 -0.440) 7.642 28.463 ( 2.232 6.052 -2.354) 6.866 28.871 ( -13.049 -1.274 -0.262) 13.114 28.888 ( -12.899 -2.340 -2.109) 13.279 29.601 ( 9.223 6.147 0.778) 11.111 29.621 ( 8.590 4.425 -1.246) 9.743 29.927 ( 0.940 -8.590 1.205) 8.725 29.941 ( 0.405 -9.571 -0.312) 9.584 ======================= Grid point 157 (60/60) ======================= q-point: (-0.50 0.44 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.67e-09 3.67e-09 3.67e-09 3.67e-09 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 95 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.568 ( -5.077 9.813 -1.142) 11.108 1.568 ( 5.077 9.813 -1.142) 11.108 1.813 ( -11.439 -14.186 19.609) 26.770 1.813 ( 11.439 -14.186 19.609) 26.770 2.089 ( -4.807 8.545 -9.117) 13.388 2.089 ( 4.807 8.545 -9.117) 13.388 2.345 ( -5.172 -16.110 -21.407) 27.286 2.345 ( 5.172 -16.110 -21.407) 27.287 2.745 ( -10.010 13.070 -0.353) 16.467 2.745 ( 10.010 13.070 -0.353) 16.467 3.006 ( -4.657 -10.821 4.674) 12.674 3.006 ( 4.657 -10.821 4.674) 12.674 4.085 ( -0.916 25.715 0.211) 25.732 4.085 ( 0.916 25.715 0.211) 25.732 4.363 ( -0.386 2.691 -0.264) 2.731 4.363 ( 0.386 2.691 -0.264) 2.731 4.490 ( -12.597 9.714 9.559) 18.559 4.490 ( 12.597 9.714 9.559) 18.559 4.654 ( -11.733 -0.127 -2.808) 12.065 4.654 ( 11.733 -0.127 -2.808) 12.065 5.113 ( -6.486 0.346 -4.463) 7.880 5.113 ( 6.486 0.346 -4.463) 7.880 5.399 ( -9.930 -21.760 -11.459) 26.522 5.399 ( 9.930 -21.760 -11.459) 26.522 5.930 ( -16.664 11.890 9.702) 22.654 5.930 ( 16.664 11.890 9.702) 22.654 6.135 ( -8.701 -1.652 -4.200) 9.802 6.135 ( 8.701 -1.652 -4.200) 9.802 6.351 ( -18.582 2.874 2.601) 18.982 6.351 ( 18.582 2.874 2.601) 18.982 6.548 ( -15.038 -10.847 -10.041) 21.086 6.548 ( 15.038 -10.847 -10.041) 21.086 7.071 ( -7.079 7.355 3.211) 10.702 7.071 ( 7.079 7.355 3.211) 10.702 7.113 ( -4.716 4.330 2.439) 6.851 7.113 ( 4.716 4.330 2.439) 6.851 7.757 ( -5.481 -0.107 4.448) 7.059 7.757 ( 5.481 -0.107 4.448) 7.059 7.840 ( -0.764 -8.949 -1.348) 9.082 7.840 ( 0.764 -8.949 -1.348) 9.082 8.129 ( -0.892 16.478 -1.787) 16.599 8.129 ( 0.892 16.478 -1.787) 16.599 8.365 ( -3.842 -3.787 0.385) 5.408 8.365 ( 3.842 -3.787 0.385) 5.408 8.771 ( -8.185 5.571 2.729) 10.270 8.771 ( 8.185 5.571 2.729) 10.270 8.868 ( -5.126 -3.827 7.879) 10.149 8.868 ( 5.126 -3.827 7.879) 10.149 9.086 ( -4.877 3.453 5.240) 7.948 9.086 ( 4.877 3.453 5.240) 7.948 9.285 ( -1.151 -14.392 -1.138) 14.482 9.285 ( 1.151 -14.392 -1.138) 14.482 9.724 ( -3.953 3.152 -4.624) 6.851 9.724 ( 3.953 3.152 -4.624) 6.851 9.828 ( -4.194 -6.487 -3.033) 8.299 9.828 ( 4.194 -6.487 -3.033) 8.299 10.479 ( -1.742 6.010 -2.808) 6.858 10.479 ( 1.742 6.010 -2.808) 6.858 10.615 ( -2.546 -6.344 -3.719) 7.782 10.615 ( 2.546 -6.344 -3.719) 7.782 10.938 ( -0.981 9.715 -0.586) 9.782 10.938 ( 0.982 9.715 -0.586) 9.782 11.178 ( -0.553 -13.837 0.003) 13.848 11.178 ( 0.553 -13.837 0.003) 13.848 17.599 ( -3.123 31.379 -5.141) 31.950 17.599 ( 3.123 31.379 -5.141) 31.950 18.206 ( -2.044 -31.045 -2.914) 31.249 18.206 ( 2.044 -31.045 -2.914) 31.249 20.541 ( -6.106 1.597 0.248) 6.316 20.541 ( 6.106 1.597 0.248) 6.316 20.581 ( -5.693 -2.920 -1.232) 6.516 20.581 ( 5.693 -2.920 -1.232) 6.516 21.656 ( -0.809 4.998 -0.159) 5.066 21.656 ( 0.809 4.998 -0.159) 5.066 21.733 ( -1.297 -2.443 0.083) 2.767 21.733 ( 1.297 -2.443 0.083) 2.767 28.499 ( -1.002 12.116 -1.323) 12.229 28.499 ( 1.002 12.116 -1.323) 12.229 28.714 ( -0.994 -8.645 -1.605) 8.849 28.714 ( 0.994 -8.645 -1.605) 8.849 29.709 ( -0.634 10.191 -0.059) 10.211 29.709 ( 0.634 10.191 -0.059) 10.211 29.943 ( -0.380 -12.617 0.607) 12.637 29.943 ( 0.380 -12.617 0.607) 12.637 =================== 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 3/21168 10.0 8.321 20.453 7.739 0.000 0.000 0.000 3/21168 20.0 4.286 9.859 5.338 0.000 0.000 0.000 3/21168 30.0 2.895 7.023 3.803 0.000 0.000 0.000 3/21168 40.0 2.237 5.628 2.912 0.000 0.000 0.000 3/21168 50.0 1.854 4.746 2.359 0.000 0.000 0.000 3/21168 60.0 1.599 4.114 1.990 0.000 0.000 0.000 3/21168 70.0 1.414 3.629 1.726 0.000 0.000 0.000 3/21168 80.0 1.272 3.245 1.528 0.000 0.000 0.000 3/21168 90.0 1.158 2.934 1.372 0.000 0.000 0.000 3/21168 100.0 1.064 2.677 1.248 0.000 0.000 0.000 3/21168 110.0 0.985 2.462 1.145 0.000 0.000 0.000 3/21168 120.0 0.918 2.281 1.058 0.000 0.000 0.000 3/21168 130.0 0.860 2.125 0.985 0.000 0.000 0.000 3/21168 140.0 0.809 1.991 0.922 0.000 0.000 0.000 3/21168 150.0 0.765 1.874 0.866 0.000 0.000 0.000 3/21168 160.0 0.725 1.771 0.818 0.000 0.000 0.000 3/21168 170.0 0.690 1.679 0.774 0.000 0.000 0.000 3/21168 180.0 0.658 1.598 0.736 0.000 0.000 0.000 3/21168 190.0 0.629 1.524 0.701 0.000 0.000 0.000 3/21168 200.0 0.603 1.458 0.670 0.000 0.000 0.000 3/21168 210.0 0.579 1.397 0.641 0.000 0.000 0.000 3/21168 220.0 0.557 1.342 0.615 0.000 0.000 0.000 3/21168 230.0 0.537 1.291 0.591 0.000 0.000 0.000 3/21168 240.0 0.518 1.244 0.568 0.000 0.000 0.000 3/21168 250.0 0.500 1.201 0.548 0.000 0.000 0.000 3/21168 260.0 0.484 1.160 0.529 0.000 0.000 0.000 3/21168 270.0 0.469 1.123 0.511 0.000 0.000 0.000 3/21168 280.0 0.454 1.087 0.494 0.000 0.000 0.000 3/21168 290.0 0.441 1.054 0.479 0.000 0.000 0.000 3/21168 300.0 0.428 1.023 0.464 0.000 0.000 0.000 3/21168 310.0 0.416 0.994 0.451 0.000 0.000 0.000 3/21168 320.0 0.405 0.967 0.438 0.000 0.000 0.000 3/21168 330.0 0.394 0.941 0.425 0.000 0.000 0.000 3/21168 340.0 0.384 0.916 0.414 0.000 0.000 0.000 3/21168 350.0 0.374 0.892 0.403 0.000 0.000 0.000 3/21168 360.0 0.365 0.870 0.393 0.000 0.000 0.000 3/21168 370.0 0.356 0.849 0.383 0.000 0.000 0.000 3/21168 380.0 0.348 0.829 0.373 0.000 0.000 0.000 3/21168 390.0 0.340 0.809 0.364 0.000 0.000 0.000 3/21168 400.0 0.332 0.791 0.356 0.000 0.000 0.000 3/21168 410.0 0.325 0.773 0.348 0.000 0.000 0.000 3/21168 420.0 0.318 0.757 0.340 0.000 0.000 0.000 3/21168 430.0 0.311 0.741 0.333 0.000 0.000 0.000 3/21168 440.0 0.305 0.725 0.325 0.000 0.000 0.000 3/21168 450.0 0.299 0.710 0.319 0.000 0.000 0.000 3/21168 460.0 0.293 0.696 0.312 0.000 0.000 0.000 3/21168 470.0 0.287 0.682 0.306 0.000 0.000 0.000 3/21168 480.0 0.282 0.669 0.300 0.000 0.000 0.000 3/21168 490.0 0.276 0.656 0.294 0.000 0.000 0.000 3/21168 500.0 0.271 0.644 0.288 0.000 0.000 0.000 3/21168 510.0 0.266 0.633 0.283 0.000 0.000 0.000 3/21168 520.0 0.262 0.621 0.278 0.000 0.000 0.000 3/21168 530.0 0.257 0.610 0.273 0.000 0.000 0.000 3/21168 540.0 0.253 0.600 0.268 0.000 0.000 0.000 3/21168 550.0 0.248 0.589 0.263 0.000 0.000 0.000 3/21168 560.0 0.244 0.579 0.259 0.000 0.000 0.000 3/21168 570.0 0.240 0.570 0.254 0.000 0.000 0.000 3/21168 580.0 0.236 0.561 0.250 0.000 0.000 0.000 3/21168 590.0 0.232 0.552 0.246 0.000 0.000 0.000 3/21168 600.0 0.229 0.543 0.242 0.000 0.000 0.000 3/21168 610.0 0.225 0.535 0.238 0.000 0.000 0.000 3/21168 620.0 0.222 0.526 0.235 0.000 0.000 0.000 3/21168 630.0 0.218 0.518 0.231 0.000 0.000 0.000 3/21168 640.0 0.215 0.511 0.228 0.000 0.000 0.000 3/21168 650.0 0.212 0.503 0.224 0.000 0.000 0.000 3/21168 660.0 0.209 0.496 0.221 0.000 0.000 0.000 3/21168 670.0 0.206 0.489 0.218 0.000 0.000 0.000 3/21168 680.0 0.203 0.482 0.215 0.000 0.000 0.000 3/21168 690.0 0.200 0.475 0.212 0.000 0.000 0.000 3/21168 700.0 0.198 0.469 0.209 0.000 0.000 0.000 3/21168 710.0 0.195 0.463 0.206 0.000 0.000 0.000 3/21168 720.0 0.192 0.456 0.203 0.000 0.000 0.000 3/21168 730.0 0.190 0.450 0.200 0.000 0.000 0.000 3/21168 740.0 0.187 0.444 0.198 0.000 0.000 0.000 3/21168 750.0 0.185 0.439 0.195 0.000 0.000 0.000 3/21168 760.0 0.183 0.433 0.193 0.000 0.000 0.000 3/21168 770.0 0.180 0.428 0.190 0.000 0.000 0.000 3/21168 780.0 0.178 0.423 0.188 0.000 0.000 0.000 3/21168 790.0 0.176 0.417 0.186 0.000 0.000 0.000 3/21168 800.0 0.174 0.412 0.183 0.000 0.000 0.000 3/21168 810.0 0.172 0.407 0.181 0.000 0.000 0.000 3/21168 820.0 0.170 0.403 0.179 0.000 0.000 0.000 3/21168 830.0 0.168 0.398 0.177 0.000 0.000 0.000 3/21168 840.0 0.166 0.393 0.175 0.000 0.000 0.000 3/21168 850.0 0.164 0.389 0.173 0.000 0.000 0.000 3/21168 860.0 0.162 0.384 0.171 0.000 0.000 0.000 3/21168 870.0 0.160 0.380 0.169 0.000 0.000 0.000 3/21168 880.0 0.159 0.376 0.167 0.000 0.000 0.000 3/21168 890.0 0.157 0.372 0.165 0.000 0.000 0.000 3/21168 900.0 0.155 0.368 0.163 0.000 0.000 0.000 3/21168 910.0 0.153 0.364 0.162 0.000 0.000 0.000 3/21168 920.0 0.152 0.360 0.160 0.000 0.000 0.000 3/21168 930.0 0.150 0.356 0.158 0.000 0.000 0.000 3/21168 940.0 0.149 0.353 0.157 0.000 0.000 0.000 3/21168 950.0 0.147 0.349 0.155 0.000 0.000 0.000 3/21168 960.0 0.146 0.345 0.153 0.000 0.000 0.000 3/21168 970.0 0.144 0.342 0.152 0.000 0.000 0.000 3/21168 980.0 0.143 0.339 0.150 0.000 0.000 0.000 3/21168 990.0 0.141 0.335 0.149 0.000 0.000 0.000 3/21168 1000.0 0.140 0.332 0.147 0.000 0.000 0.000 3/21168 Thermal conductivity related properties were written into "kappa-m497.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 23:55:49]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|